*HEADER    ANTIMICROBIAL PROTEIN                   19-SEP-18   6MI9              
*TITLE     THE PEPTIDE PAAMP1B3 IS AN ANALOG DERIVED FROM THE PAAMP1. THE        
*TITLE    2 SEQUENCE OF THE RIBOSOMAL PROTEIN OF PYROBACULUM AEROPHYLUM WAS USED 
*TITLE    3 AS TEMPLATE FOR RATIONAL DESIGN, USING THE JOKER ALGORITHM.          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PRO-MET-ALA-ARG-ASN-LYS-ILE-LEU-GLY-LYS-ILE-LEU-ARG-LYS-   
*COMPND   3 ILE-ALA-ALA-PHE-LYS;                                                 
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    PAM, ANTIMICROBIAL PROTEIN                                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    H.M.MUNDIM,E.S.F.ALVES,L.V.RODRIGUES,L.M.LIAO                         
*REVDAT   1   25-SEP-19 6MI9    0                                                
# Restraints file 1: phiepsi_3.tbl
!PHI
!MONOMER A
assign ( resid  1  and name c   )  ( resid  2  and name n  ) 
       ( resid  2  and name ca  )  ( resid  2  and name c  )  1.0   -65.250  12  2 
assign ( resid  2  and name c   )  ( resid  3  and name n  ) 
       ( resid  3  and name ca  )  ( resid  3  and name c  )  1.0   -63.116  7  2 
assign ( resid  3  and name c   )  ( resid  4  and name n  ) 
       ( resid  4  and name ca  )  ( resid  4  and name c  )  1.0   -62.776  10  2 
assign ( resid  4  and name c   )  ( resid  5  and name n  ) 
       ( resid  5  and name ca  )  ( resid  5  and name c  )  1.0   -63.953 15  2 
assign ( resid  5  and name c   )  ( resid  6  and name n  ) 
       ( resid  6  and name ca  )  ( resid  6  and name c  )  1.0   -62.590  4  2 
assign ( resid  6  and name c   )  ( resid  7  and name n  ) 
       ( resid  7  and name ca  )  ( resid  7  and name c  )  1.0   -69.813  10   2 
assign ( resid  7  and name c   )  ( resid  8  and name n  ) 
       ( resid  8  and name ca  )  ( resid  8  and name c  )  1.0   -62.824   5  2 
assign ( resid  8  and name c   )  ( resid  9  and name n  ) 
       ( resid  9  and name ca  )  ( resid  9  and name c  )  1.0   -60.961  6  2 
assign ( resid   9  and name c  )  ( resid 10  and name n  ) 
       ( resid 10  and name ca  )  ( resid 10  and name c  )  1.0   -64.621  4   2 
assign ( resid 10  and name c   )  ( resid 11  and name n  ) 
       ( resid 11  and name ca   )  ( resid 11  and name c  )  1.0   -67.972  10   2 
assign ( resid 11  and name c   )  ( resid 12  and name n  ) 
       ( resid 12  and name ca   )  ( resid 12  and name c  )  1.0   -66.516  7   2 
assign ( resid 12  and name c  )  ( resid 13  and name n  ) 
       ( resid 13  and name ca   )  ( resid 13  and name c  )  1.0   -65.160  7   2 
assign ( resid 13  and name c  )  ( resid 14  and name n  ) 
       ( resid 14  and name ca   )  ( resid 14  and name c  )  1.0   -66.362  6   2 
assign ( resid 14  and name c   )  ( resid 15  and name n  ) 
       ( resid 15  and name ca  )  ( resid 15  and name c  )   1.0   -64.388   8  2 
assign ( resid 15  and name c   )  ( resid 16  and name n  ) 
       ( resid 16  and name ca   )  ( resid 16  and name c  )  1.0   -65.356  7   2 
assign ( resid 16  and name c   )  ( resid 17  and name n  ) 
       ( resid 17  and name ca   )  ( resid 17  and name c  )  1.0   -68.156  8  2 
assign ( resid 17  and name c   )  ( resid 18  and name n  ) 
       ( resid 18  and name ca   )  ( resid 18  and name c  )  1.0   -78.714  13  2 
! 
!PSi 
!MONOMER A 
assign ( resid 2  and name n  )  ( resid 2  and name ca  ) 
       ( resid 2  and name c  )  ( resid 3  and name n  )  1.0  -29.809   15  2 
assign ( resid 3  and name n  )  ( resid 3  and name ca  ) 
       ( resid 3  and name c  )  ( resid 4  and name n  )  1.0  -38.246   7  2 
assign ( resid 4  and name n  )  ( resid 4  and name ca  ) 
       ( resid 4  and name c  )  ( resid 5  and name n  ) 1.0   -41.423  6  2 
assign ( resid 5  and name n  )  ( resid 5  and name ca  ) 
       ( resid 5  and name c  )  ( resid 6  and name n  ) 1.0   -42.453  12  2 
assign ( resid 6  and name n  )  ( resid 6  and name ca  ) 
       ( resid 6  and name c  )  ( resid 7  and name n  ) 1.0   -41.642  6   2 
assign ( resid 7  and name n  )  ( resid 7  and name ca  ) 
       ( resid 7  and name c  )  ( resid 8  and name n  ) 1.0   -36.230  8  2 
assign ( resid 8  and name n  )  ( resid 8  and name ca  ) 
       ( resid 8  and name c  )  ( resid 9  and name n  ) 1.0   -38.359 10  2 
assign ( resid 9  and name n  )  ( resid 9  and name ca  ) 
       ( resid 9  and name c  )  ( resid 10  and name n  ) 1.0   -41.218  6   2 
assign ( resid 10  and name n  )  ( resid 10  and name ca  ) 
       ( resid 10  and name c  )  ( resid 11  and name n  )  1.0   -41.508  3   2 
assign ( resid 11  and name n  )  ( resid 11  and name ca  ) 
       ( resid 11  and name c  )  ( resid 12  and name n  )  1.0   -39.093  10   2 
assign ( resid 12  and name n  )  ( resid 12  and name ca  ) 
       ( resid 12  and name c  )  ( resid 13  and name n  )  1.0   -40.822  6   2 
assign ( resid 13  and name n  )  ( resid 13  and name ca  ) 
       ( resid 13  and name c  )  ( resid 14  and name n  ) 1.0   -35.315  11  2 
assign ( resid 14  and name n  )  ( resid 14  and name ca  ) 
       ( resid 14  and name c  )  ( resid 15  and name n  ) 1.0   -40.876  4   2 
assign ( resid 15  and name n  )  ( resid 15  and name ca  ) 
       ( resid 15  and name c  )  ( resid 16  and name n  )  1.0   -39.729  9   2 
assign ( resid 16  and name n  )  ( resid 16  and name ca  ) 
       ( resid 16  and name c  )  ( resid 17  and name n  )  1.0   -36.316  11   2 
assign ( resid 17  and name n  )  ( resid 17  and name ca  ) 
       ( resid 17  and name c  )  ( resid 18  and name n  )  1.0   -22.090  22  2 
assign ( resid 18  and name n  )  ( resid 18  and name ca  ) 
       ( resid 18  and name c  )  ( resid 19  and name n  )  1.0   -29.685  18  2 
! 
!
# Restraints file 2: restraints.tbl
! On my watch it's Thu Jun 21 20:35:48 2018.
!
ASSI  (RESI     1 AND NAME  HD2)
      (RESI     2 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     1 AND NAME  HD2)
      (RESI     1 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     1 AND NAME  HD2)
      (RESI     1 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI     1 AND NAME  HB2)
      (RESI     2 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME    H)
      (RESI     3 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME    H)
      (RESI     2 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     2 AND NAME    H)
      (RESI     1 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME    H)
      (RESI     2 AND NAME  HG2)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME    H)
      (RESI     2 AND NAME  HB2)      2.800 1.000 0.000
ASSI  (RESI     2 AND NAME    H)
      (RESI     2 AND NAME  HB3)      2.800 1.000 0.000
ASSI  (RESI     2 AND NAME    H)
      (RESI     3 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HG2)
      (RESI     2 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HB3)
      (RESI     2 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME  HG2)
      (RESI     2 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HG2)
      (RESI     3 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME    H)
      (RESI     2 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME    H)
      (RESI     4 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME    H)
      (RESI     3 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME    H)
      (RESI     2 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     3 AND NAME    H)
      (RESI     2 AND NAME  HB3)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME    H)
      (RESI     2 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME    H)
      (RESI     2 AND NAME  HG2)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME    H)
      (RESI     3 AND NAME  HB#)      2.800 1.000 0.000
ASSI  (RESI     3 AND NAME    H)
      (RESI     4 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME    H)
      (RESI     4 AND NAME  HG2)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME  HB#)
      (RESI     3 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI     3 AND NAME  HB#)
      (RESI     4 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME    H)
      (RESI     4 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME    H)
      (RESI     3 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME   HE)
      (RESI     4 AND NAME  HD2)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME   HE)
      (RESI     4 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME    H)
      (RESI     4 AND NAME  HD2)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME    H)
      (RESI     4 AND NAME  HB2)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME   HE)
      (RESI     4 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HE)
      (RESI     4 AND NAME  HG2)      3.400 1.600 0.000
ASSI  (RESI     4 AND NAME    H)
      (RESI     3 AND NAME  HB#)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME  HD2)
      (RESI     4 AND NAME  HG2)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME   HA)
      (RESI     4 AND NAME  HG2)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME  HG2)
      (RESI     4 AND NAME  HD2)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME  HG2)
      (RESI     4 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME  HD2)
      (RESI     4 AND NAME   HE)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME  HD2)
      (RESI     4 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME  HG2)
      (RESI     5 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME  HG2)
      (RESI     4 AND NAME   HE)      3.400 1.600 0.000
ASSI  (RESI     4 AND NAME  HB2)
      (RESI     5 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME   HE)
      (RESI     4 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME    H)
      (RESI     4 AND NAME   HE)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME    H)
      (RESI     5 AND NAME HD22)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME HD22)
      (RESI     5 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME HD21)
      (RESI     5 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI     5 AND NAME HD22)
      (RESI     5 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME    H)
      (RESI     5 AND NAME  HB2)      2.800 1.000 0.000
ASSI  (RESI     5 AND NAME    H)
      (RESI     5 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     5 AND NAME    H)
      (RESI     4 AND NAME  HG2)      2.800 1.000 0.000
ASSI  (RESI     5 AND NAME    H)
      (RESI     4 AND NAME  HD2)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME  HB2)
      (RESI     5 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     5 AND NAME  HB2)
      (RESI     5 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI     5 AND NAME  HB2)
      (RESI     5 AND NAME HD21)      3.400 1.600 0.000
ASSI  (RESI     5 AND NAME  HB2)
      (RESI     5 AND NAME HD22)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME    H)
      (RESI     7 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME    H)
      (RESI     6 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME    H)
      (RESI     5 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME    H)
      (RESI     7 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HA)
      (RESI     6 AND NAME  HB3)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME  HB3)
      (RESI     6 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     6 AND NAME  HD2)
      (RESI     6 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME  HD2)
      (RESI     7 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HA)
      (RESI     4 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME  HB2)
      (RESI     7 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI     6 AND NAME   HA)
      (RESI     7 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME  HD2)
      (RESI     7 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI     7 AND NAME    H)
      (RESI     8 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME    H)
      (RESI     7 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME    H)
      (RESI     6 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME    H)
      (RESI     6 AND NAME  HD2)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME    H)
      (RESI     7 AND NAME HD1#)      2.800 1.000 0.000
ASSI  (RESI     7 AND NAME    H)
      (RESI     7 AND NAME HG13)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HA)
      (RESI     6 AND NAME  HD2)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HA)
      (RESI     7 AND NAME   HB)      3.400 1.600 0.000
ASSI  (RESI     7 AND NAME   HA)
      (RESI     7 AND NAME HD1#)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HB)
      (RESI     7 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     7 AND NAME   HA)
      (RESI     7 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI     7 AND NAME   HA)
      (RESI     8 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME HD1#)
      (RESI     7 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI     8 AND NAME    H)
      (RESI     7 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI     8 AND NAME    H)
      (RESI     8 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     8 AND NAME    H)
      (RESI     7 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME    H)
      (RESI     8 AND NAME HD1#)      2.800 1.000 0.000
ASSI  (RESI     8 AND NAME   HA)
      (RESI     8 AND NAME HD1#)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HA)
      (RESI     7 AND NAME   HB)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME HD1#)
      (RESI     9 AND NAME  HA2)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HA)
      (RESI     8 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI     8 AND NAME HD1#)
      (RESI     8 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI     8 AND NAME   HG)
      (RESI     7 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME    H)
      (RESI    10 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME    H)
      (RESI     9 AND NAME  HA2)      2.800 1.000 0.000
ASSI  (RESI     9 AND NAME  HA2)
      (RESI    12 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME  HA2)
      (RESI     8 AND NAME HD1#)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME  HA2)
      (RESI     9 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI     9 AND NAME  HA2)
      (RESI    10 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME    H)
      (RESI    11 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME    H)
      (RESI     9 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME    H)
      (RESI    10 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME    H)
      (RESI     9 AND NAME  HA2)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME    H)
      (RESI    10 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME    H)
      (RESI    10 AND NAME  HG2)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME    H)
      (RESI    11 AND NAME HD1#)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HA)
      (RESI    10 AND NAME  HB2)      2.800 1.000 0.000
ASSI  (RESI    10 AND NAME  HB2)
      (RESI    10 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME  HD2)
      (RESI    11 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HA)
      (RESI    11 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HA)
      (RESI    10 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME  HG2)
      (RESI     9 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI    10 AND NAME  HB2)
      (RESI    10 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME  HD2)
      (RESI    10 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME    H)
      (RESI    10 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME    H)
      (RESI    13 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME    H)
      (RESI    11 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME    H)
      (RESI    10 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME    H)
      (RESI    10 AND NAME  HG2)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME    H)
      (RESI    10 AND NAME  HB2)      2.800 1.000 0.000
ASSI  (RESI    11 AND NAME    H)
      (RESI    11 AND NAME HD1#)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME    H)
      (RESI    11 AND NAME HG13)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME   HA)
      (RESI    11 AND NAME HD1#)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME   HA)
      (RESI    11 AND NAME HG13)      2.800 1.000 0.000
ASSI  (RESI    11 AND NAME   HA)
      (RESI    11 AND NAME   HB)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME HG13)
      (RESI    13 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME HG13)
      (RESI    11 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME HD1#)
      (RESI    11 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME HG2#)
      (RESI    11 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME   HA)
      (RESI    14 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME   HA)
      (RESI    10 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME HG2#)
      (RESI    13 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME   HA)
      (RESI    11 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME   HA)
      (RESI     9 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME   HA)
      (RESI    13 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME HG13)
      (RESI    11 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME HD1#)
      (RESI    11 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI    11 AND NAME HG13)
      (RESI    13 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME    H)
      (RESI    13 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME    H)
      (RESI    14 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    12 AND NAME    H)
      (RESI    12 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    12 AND NAME    H)
      (RESI    13 AND NAME  HD3)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME    H)
      (RESI    13 AND NAME  HD2)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME    H)
      (RESI    13 AND NAME  HG2)      2.800 1.000 0.000
ASSI  (RESI    12 AND NAME    H)
      (RESI    12 AND NAME  HB2)      2.800 1.000 0.000
ASSI  (RESI    12 AND NAME    H)
      (RESI    11 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME   HA)
      (RESI    13 AND NAME  HD3)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME   HA)
      (RESI    13 AND NAME  HD2)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME   HA)
      (RESI    12 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI    12 AND NAME   HA)
      (RESI    14 AND NAME  HG2)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME   HA)
      (RESI    13 AND NAME  HG2)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME  HB2)
      (RESI    12 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    12 AND NAME  HB2)
      (RESI    13 AND NAME  HD2)      3.400 1.600 0.000
ASSI  (RESI    12 AND NAME  HB2)
      (RESI    13 AND NAME  HD3)      2.800 1.000 0.000
ASSI  (RESI    12 AND NAME   HA)
      (RESI    12 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    12 AND NAME   HA)
      (RESI    14 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME  HB2)
      (RESI    13 AND NAME   HE)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME  HB2)
      (RESI    13 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI    12 AND NAME  HB2)
      (RESI    12 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI    13 AND NAME    H)
      (RESI    14 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME    H)
      (RESI    12 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME    H)
      (RESI    11 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME    H)
      (RESI    13 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME    H)
      (RESI     9 AND NAME  HA2)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME    H)
      (RESI    11 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME   HE)
      (RESI    13 AND NAME  HD2)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME   HE)
      (RESI    13 AND NAME  HD3)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME   HE)
      (RESI    13 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME    H)
      (RESI    13 AND NAME  HB2)      2.800 1.000 0.000
ASSI  (RESI    13 AND NAME    H)
      (RESI    13 AND NAME  HG2)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME    H)
      (RESI    14 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME   HE)
      (RESI    12 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME   HE)
      (RESI    13 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME    H)
      (RESI    11 AND NAME HD1#)      2.800 1.000 0.000
ASSI  (RESI    13 AND NAME  HD3)
      (RESI    13 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME  HD2)
      (RESI    12 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME  HD2)
      (RESI    12 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME  HD3)
      (RESI    12 AND NAME  HB2)      2.800 1.000 0.000
ASSI  (RESI    13 AND NAME   HA)
      (RESI    13 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME  HD3)
      (RESI    11 AND NAME HG2#)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME  HD3)
      (RESI    15 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME  HG2)
      (RESI    12 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME  HB2)
      (RESI    13 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME  HB2)
      (RESI    14 AND NAME  HE2)      2.800 1.000 0.000
ASSI  (RESI    13 AND NAME    H)
      (RESI    11 AND NAME HG13)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME  HD3)
      (RESI    13 AND NAME   HE)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME   HA)
      (RESI    14 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME  HB2)
      (RESI    14 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME  HB2)
      (RESI    13 AND NAME   HE)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME   HA)
      (RESI    13 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME  HB2)
      (RESI    13 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME   HA)
      (RESI    13 AND NAME  HD3)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME    H)
      (RESI    15 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME    H)
      (RESI    13 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME    H)
      (RESI    12 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME    H)
      (RESI    14 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    14 AND NAME    H)
      (RESI    11 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME    H)
      (RESI    12 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME    H)
      (RESI    14 AND NAME  HB2)      2.800 1.000 0.000
ASSI  (RESI    14 AND NAME    H)
      (RESI    14 AND NAME  HG2)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME    H)
      (RESI    13 AND NAME  HG2)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME    H)
      (RESI    14 AND NAME  HE2)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME    H)
      (RESI    15 AND NAME HD1#)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME  HE2)
      (RESI    14 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME   HA)
      (RESI    14 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME   HA)
      (RESI    14 AND NAME  HG2)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME  HE2)
      (RESI    13 AND NAME  HB2)      2.800 1.000 0.000
ASSI  (RESI    14 AND NAME  HE2)
      (RESI    14 AND NAME  HG2)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME   HB)
      (RESI    14 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME  HD2)
      (RESI    14 AND NAME  HE2)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME  HG2)
      (RESI    14 AND NAME  HE2)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME  HE2)
      (RESI    13 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME   HA)
      (RESI    14 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME  HG2)
      (RESI    14 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME  HB2)
      (RESI    14 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME  HD2)
      (RESI    13 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME  HD2)
      (RESI    14 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME  HE2)
      (RESI    14 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME    H)
      (RESI    14 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    15 AND NAME    H)
      (RESI    13 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME    H)
      (RESI    15 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    15 AND NAME    H)
      (RESI    14 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME    H)
      (RESI    13 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    15 AND NAME    H)
      (RESI    11 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME    H)
      (RESI    16 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME    H)
      (RESI    15 AND NAME   HB)      2.800 1.000 0.000
ASSI  (RESI    15 AND NAME    H)
      (RESI    15 AND NAME HG2#)      2.800 1.000 0.000
ASSI  (RESI    15 AND NAME    H)
      (RESI    15 AND NAME HD1#)      3.400 1.600 0.000
ASSI  (RESI    15 AND NAME    H)
      (RESI    15 AND NAME HG1#)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME   HA)
      (RESI    13 AND NAME  HD3)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME   HA)
      (RESI    15 AND NAME HG2#)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME   HA)
      (RESI    15 AND NAME HD1#)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME   HA)
      (RESI    15 AND NAME HG1#)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME   HA)
      (RESI    15 AND NAME   HB)      3.400 1.600 0.000
ASSI  (RESI    15 AND NAME   HB)
      (RESI    15 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    15 AND NAME HG1#)
      (RESI    15 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME HD1#)
      (RESI    15 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME   HA)
      (RESI    18 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME   HA)
      (RESI    14 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME   HA)
      (RESI    17 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME   HB)
      (RESI    14 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    15 AND NAME   HB)
      (RESI    16 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI    15 AND NAME   HA)
      (RESI    15 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI    15 AND NAME HG1#)
      (RESI    15 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME    H)
      (RESI    17 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    16 AND NAME    H)
      (RESI    14 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME    H)
      (RESI    16 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    16 AND NAME    H)
      (RESI    15 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME    H)
      (RESI    16 AND NAME  HB#)      2.800 1.000 0.000
ASSI  (RESI    16 AND NAME    H)
      (RESI    15 AND NAME   HB)      2.800 1.000 0.000
ASSI  (RESI    16 AND NAME   HA)
      (RESI    16 AND NAME  HB1)      2.800 1.000 0.000
ASSI  (RESI    16 AND NAME   HA)
      (RESI    16 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    16 AND NAME   HA)
      (RESI    17 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME  HB#)
      (RESI    17 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME  HB#)
      (RESI    16 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI    17 AND NAME    H)
      (RESI    18 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI    17 AND NAME    H)
      (RESI    16 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    17 AND NAME    H)
      (RESI    19 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    17 AND NAME    H)
      (RESI    17 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    17 AND NAME    H)
      (RESI    16 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    17 AND NAME    H)
      (RESI    15 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    17 AND NAME    H)
      (RESI    18 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI    17 AND NAME    H)
      (RESI    18 AND NAME  HB3)      5.000 3.200 0.000
ASSI  (RESI    17 AND NAME    H)
      (RESI    16 AND NAME  HB#)      2.800 1.000 0.000
ASSI  (RESI    17 AND NAME    H)
      (RESI    17 AND NAME  HB#)      2.800 1.000 0.000
ASSI  (RESI    17 AND NAME    H)
      (RESI    15 AND NAME   HB)      5.000 3.200 0.000
ASSI  (RESI    17 AND NAME   HA)
      (RESI    16 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    17 AND NAME  HB#)
      (RESI    18 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    17 AND NAME  HB#)
      (RESI    19 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    17 AND NAME  HB#)
      (RESI    17 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI    18 AND NAME    H)
      (RESI    19 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI    18 AND NAME    H)
      (RESI    17 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    18 AND NAME    H)
      (RESI    18 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    18 AND NAME    H)
      (RESI    17 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    18 AND NAME    H)
      (RESI    16 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME    H)
      (RESI    15 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME    H)
      (RESI    18 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI    18 AND NAME    H)
      (RESI    18 AND NAME  HB3)      2.800 1.000 0.000
ASSI  (RESI    18 AND NAME  HD1)
      (RESI    18 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME  HD1)
      (RESI    19 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME  HE1)
      (RESI    19 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME  HD1)
      (RESI    15 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME  HD1)
      (RESI    18 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME  HD1)
      (RESI    18 AND NAME  HB3)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME  HE1)
      (RESI    18 AND NAME  HB3)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME    H)
      (RESI    17 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME    H)
      (RESI    19 AND NAME  HG2)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME  HD1)
      (RESI    19 AND NAME  HG2)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME    H)
      (RESI    19 AND NAME  HD3)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME    H)
      (RESI    19 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME    H)
      (RESI    19 AND NAME  HE2)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME  HB2)
      (RESI    18 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    18 AND NAME  HB3)
      (RESI    18 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    18 AND NAME  HB3)
      (RESI    17 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    18 AND NAME  HE1)
      (RESI    15 AND NAME HD1#)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME  HD1)
      (RESI    15 AND NAME HD1#)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME    H)
      (RESI    15 AND NAME HG2#)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME  HB3)
      (RESI    18 AND NAME  HE1)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME  HB3)
      (RESI    19 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME  HB2)
      (RESI    19 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME  HB2)
      (RESI    18 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI    18 AND NAME  HB3)
      (RESI    18 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI    19 AND NAME    H)
      (RESI    18 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI    19 AND NAME    H)
      (RESI    19 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    19 AND NAME    H)
      (RESI    18 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    19 AND NAME    H)
      (RESI    16 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    19 AND NAME    H)
      (RESI    18 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI    19 AND NAME    H)
      (RESI    18 AND NAME  HB3)      5.000 3.200 0.000
ASSI  (RESI    19 AND NAME    H)
      (RESI    19 AND NAME  HD3)      2.800 1.000 0.000
ASSI  (RESI    19 AND NAME    H)
      (RESI    19 AND NAME  HG2)      3.400 1.600 0.000
ASSI  (RESI    19 AND NAME    H)
      (RESI    19 AND NAME  HB2)      2.800 1.000 0.000
ASSI  (RESI    19 AND NAME    H)
      (RESI    19 AND NAME  HE2)      5.000 3.200 0.000
ASSI  (RESI    19 AND NAME   HA)
      (RESI    19 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI    19 AND NAME   HA)
      (RESI    19 AND NAME  HG2)      5.000 3.200 0.000
ASSI  (RESI    19 AND NAME   HA)
      (RESI    19 AND NAME  HD3)      5.000 3.200 0.000
ASSI  (RESI    19 AND NAME  HE2)
      (RESI    19 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI    19 AND NAME   HA)
      (RESI    18 AND NAME  HB3)      5.000 3.200 0.000
ASSI  (RESI    19 AND NAME  HB2)
      (RESI    19 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    19 AND NAME  HD3)
      (RESI    19 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    19 AND NAME  HB2)
      (RESI    19 AND NAME  HE2)      5.000 3.200 0.000
ASSI  (RESI    19 AND NAME  HG2)
      (RESI    19 AND NAME  HE2)      2.800 1.000 0.000
ASSI  (RESI    19 AND NAME   HA)
      (RESI    17 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    19 AND NAME   HA)
      (RESI    18 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    19 AND NAME   HA)
      (RESI    19 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    19 AND NAME  HD3)
      (RESI    19 AND NAME    H)      3.400 1.600 0.000
ASSI  (RESI    19 AND NAME  HB2)
      (RESI    19 AND NAME    H)      2.800 1.000 0.000
ASSI  (RESI    19 AND NAME  HG2)
      (RESI    18 AND NAME    H)      5.000 3.200 0.000
ASSI  (RESI    19 AND NAME  HE2)
      (RESI    18 AND NAME  HE1)      5.000 3.200 0.000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H2   PRO   1           HT1      PRO   1   1.998  -2.852  -0.395
    2    H3   PRO   1           HT2      PRO   1   0.425  -2.230  -0.213
    3    HA   PRO   1           HA       PRO   1   1.376  -0.252  -0.489
    4    HB2  PRO   1           HB2      PRO   1   2.749  -0.013   1.998
    5    HB3  PRO   1           HB1      PRO   1   1.091   0.499   1.636
    6    HG2  PRO   1           HG2      PRO   1   1.835  -1.577   3.335
    7    HG3  PRO   1           HG1      PRO   1   0.213  -1.289   2.687
    8    HD2  PRO   1           HD2      PRO   1   2.274  -3.271   1.806
    9    HD3  PRO   1           HD1      PRO   1   0.500  -3.374   1.727
   10    H    MET   2           HN       MET   2   2.913  -0.535  -2.113
   11    HA   MET   2           HA       MET   2   5.425  -1.728  -1.834
   12    HB2  MET   2           HB2      MET   2   4.533   0.477  -3.710
   13    HB3  MET   2           HB1      MET   2   6.028  -0.446  -3.877
   14    HG2  MET   2           HG2      MET   2   3.840  -2.280  -3.514
   15    HG3  MET   2           HG1      MET   2   3.428  -1.154  -4.806
   16    HE1  MET   2           HE1      MET   2   5.207  -0.256  -6.271
   17    HE2  MET   2           HE2      MET   2   6.139  -1.331  -7.311
   18    HE3  MET   2           HE3      MET   2   6.869  -0.686  -5.844
   19    H    ALA   3           HN       ALA   3   4.284   1.259  -0.622
   20    HA   ALA   3           HA       ALA   3   6.560   2.865  -0.649
   21    HB1  ALA   3           HB1      ALA   3   4.461   2.601   1.525
   22    HB2  ALA   3           HB2      ALA   3   4.405   3.700   0.145
   23    HB3  ALA   3           HB3      ALA   3   5.626   3.918   1.398
   24    H    ARG   4           HN       ARG   4   5.587   0.363   1.672
   25    HA   ARG   4           HA       ARG   4   7.634   0.639   3.532
   26    HB2  ARG   4           HB2      ARG   4   6.454  -1.980   2.591
   27    HB3  ARG   4           HB1      ARG   4   7.219  -1.662   4.142
   28    HG2  ARG   4           HG2      ARG   4   5.381   0.232   4.320
   29    HG3  ARG   4           HG1      ARG   4   4.535  -0.770   3.136
   30    HD2  ARG   4           HD2      ARG   4   3.975  -1.315   5.533
   31    HD3  ARG   4           HD1      ARG   4   4.580  -2.676   4.598
   32    HE   ARG   4           HE       ARG   4   6.404  -1.108   6.334
   33   HH11  ARG   4          HH11      ARG   4   7.739  -2.373   7.641
   34   HH12  ARG   4          HH12      ARG   4   7.539  -4.095   7.686
   35   HH21  ARG   4          HH21      ARG   4   4.913  -4.096   5.396
   36   HH22  ARG   4          HH22      ARG   4   5.932  -5.075   6.391
   37    H    ASN   5           HN       ASN   5   7.604  -1.102   0.458
   38    HA   ASN   5           HA       ASN   5  10.305  -2.081   0.759
   39    HB2  ASN   5           HB2      ASN   5   8.698  -3.339  -0.600
   40    HB3  ASN   5           HB1      ASN   5   8.482  -1.946  -1.662
   41   HD21  ASN   5          HD21      ASN   5  10.843  -4.440  -0.672
   42   HD22  ASN   5          HD22      ASN   5  11.852  -4.240  -2.025
   43    H    LYS   6           HN       LYS   6   8.656   0.557  -0.900
   44    HA   LYS   6           HA       LYS   6  10.815   1.536  -2.403
   45    HB2  LYS   6           HB2      LYS   6   8.162   2.250  -2.027
   46    HB3  LYS   6           HB1      LYS   6   9.040   3.630  -1.375
   47    HG2  LYS   6           HG2      LYS   6   9.615   2.411  -4.092
   48    HG3  LYS   6           HG1      LYS   6   8.537   3.784  -3.844
   49    HD2  LYS   6           HD2      LYS   6  10.619   4.748  -2.497
   50    HD3  LYS   6           HD1      LYS   6  11.519   3.642  -3.539
   51    HE2  LYS   6           HE2      LYS   6  11.314   5.922  -4.538
   52    HE3  LYS   6           HE1      LYS   6  10.534   4.697  -5.539
   53    HZ1  LYS   6           HZ1      LYS   6   9.343   6.961  -4.713
   54    HZ2  LYS   6           HZ2      LYS   6   8.821   5.869  -3.524
   55    HZ3  LYS   6           HZ3      LYS   6   8.507   5.555  -5.162
   56    H    ILE   7           HN       ILE   7   9.695   2.486   0.867
   57    HA   ILE   7           HA       ILE   7  11.762   4.397   1.262
   58    HB   ILE   7           HB       ILE   7  11.152   4.306   3.639
   59   HG12  ILE   7          HG12      ILE   7   9.629   1.842   2.757
   60   HG13  ILE   7          HG11      ILE   7  10.823   1.970   4.044
   61   HG21  ILE   7          HG21      ILE   7   8.697   4.119   1.857
   62   HG22  ILE   7          HG22      ILE   7   9.723   5.547   1.994
   63   HG23  ILE   7          HG23      ILE   7   8.819   4.973   3.394
   64   HD11  ILE   7          HD11      ILE   7   7.954   2.801   4.023
   65   HD12  ILE   7          HD12      ILE   7   9.080   3.764   4.979
   66   HD13  ILE   7          HD13      ILE   7   8.891   2.043   5.312
   67    H    LEU   8           HN       LEU   8  11.461   0.970   2.074
   68    HA   LEU   8           HA       LEU   8  13.934   0.770   3.458
   69    HB2  LEU   8           HB2      LEU   8  11.851  -0.902   3.234
   70    HB3  LEU   8           HB1      LEU   8  12.849  -1.581   1.954
   71    HG   LEU   8           HG       LEU   8  13.116  -2.549   4.341
   72   HD11  LEU   8          HD11      LEU   8  14.733  -3.322   2.897
   73   HD12  LEU   8          HD12      LEU   8  15.746  -2.400   4.008
   74   HD13  LEU   8          HD13      LEU   8  15.276  -1.707   2.457
   75   HD21  LEU   8          HD21      LEU   8  14.277  -1.350   5.953
   76   HD22  LEU   8          HD22      LEU   8  13.346  -0.055   5.202
   77   HD23  LEU   8          HD23      LEU   8  15.039  -0.291   4.768
   78    H    GLY   9           HN       GLY   9  12.954   0.115   0.100
   79    HA2  GLY   9           HA2      GLY   9  15.378  -0.804  -0.928
   80    HA3  GLY   9           HA1      GLY   9  14.175   0.095  -1.855
   81    H    LYS  10           HN       LYS  10  14.277   2.465  -0.232
   82    HA   LYS  10           HA       LYS  10  16.306   3.925  -1.520
   83    HB2  LYS  10           HB2      LYS  10  14.107   4.528   0.055
   84    HB3  LYS  10           HB1      LYS  10  15.465   5.022   1.065
   85    HG2  LYS  10           HG2      LYS  10  15.293   5.818  -1.845
   86    HG3  LYS  10           HG1      LYS  10  14.520   6.771  -0.582
   87    HD2  LYS  10           HD2      LYS  10  17.461   6.021  -0.587
   88    HD3  LYS  10           HD1      LYS  10  16.837   7.565  -1.163
   89    HE2  LYS  10           HE2      LYS  10  16.940   6.492   1.643
   90    HE3  LYS  10           HE1      LYS  10  17.383   8.087   1.044
   91    HZ1  LYS  10           HZ1      LYS  10  15.351   8.247   2.252
   92    HZ2  LYS  10           HZ2      LYS  10  14.634   7.005   1.347
   93    HZ3  LYS  10           HZ3      LYS  10  15.000   8.495   0.611
   94    H    ILE  11           HN       ILE  11  16.174   2.332   1.620
   95    HA   ILE  11           HA       ILE  11  18.645   3.416   2.587
   96    HB   ILE  11           HB       ILE  11  17.326   0.878   3.558
   97   HG12  ILE  11          HG12      ILE  11  15.695   2.840   3.277
   98   HG13  ILE  11          HG11      ILE  11  15.820   2.158   4.897
   99   HG21  ILE  11          HG21      ILE  11  19.266   2.897   4.619
  100   HG22  ILE  11          HG22      ILE  11  19.284   1.140   4.767
  101   HG23  ILE  11          HG23      ILE  11  18.182   2.094   5.757
  102   HD11  ILE  11          HD11      ILE  11  17.456   4.545   3.998
  103   HD12  ILE  11          HD12      ILE  11  17.219   3.957   5.642
  104   HD13  ILE  11          HD13      ILE  11  15.880   4.705   4.774
  105    H    LEU  12           HN       LEU  12  17.760   0.672   0.631
  106    HA   LEU  12           HA       LEU  12  19.931  -1.002   1.078
  107    HB2  LEU  12           HB2      LEU  12  17.979  -0.660  -1.103
  108    HB3  LEU  12           HB1      LEU  12  19.484  -1.451  -1.556
  109    HG   LEU  12           HG       LEU  12  17.624  -2.995  -0.734
  110   HD11  LEU  12          HD11      LEU  12  20.198  -3.042   0.866
  111   HD12  LEU  12          HD12      LEU  12  20.040  -3.622  -0.792
  112   HD13  LEU  12          HD13      LEU  12  19.150  -4.414   0.507
  113   HD21  LEU  12          HD21      LEU  12  16.908  -2.956   1.465
  114   HD22  LEU  12          HD22      LEU  12  17.230  -1.238   1.249
  115   HD23  LEU  12          HD23      LEU  12  18.415  -2.261   2.058
  116    H    ARG  13           HN       ARG  13  19.702   1.611  -1.353
  117    HA   ARG  13           HA       ARG  13  22.245   1.194  -2.472
  118    HB2  ARG  13           HB2      ARG  13  21.869   3.988  -2.440
  119    HB3  ARG  13           HB1      ARG  13  21.507   2.885  -3.759
  120    HG2  ARG  13           HG2      ARG  13  19.566   3.321  -1.486
  121    HG3  ARG  13           HG1      ARG  13  19.582   4.372  -2.902
  122    HD2  ARG  13           HD2      ARG  13  18.248   1.933  -2.657
  123    HD3  ARG  13           HD1      ARG  13  18.470   2.856  -4.126
  124    HE   ARG  13           HE       ARG  13  20.714   1.486  -4.176
  125   HH11  ARG  13          HH11      ARG  13  21.069  -0.686  -4.735
  126   HH12  ARG  13          HH12      ARG  13  19.830  -1.865  -4.443
  127   HH21  ARG  13          HH21      ARG  13  17.593   0.425  -3.088
  128   HH22  ARG  13          HH22      ARG  13  17.860  -1.232  -3.514
  129    H    LYS  14           HN       LYS  14  21.215   3.025   0.356
  130    HA   LYS  14           HA       LYS  14  23.711   4.199   0.984
  131    HB2  LYS  14           HB2      LYS  14  21.863   3.331   3.177
  132    HB3  LYS  14           HB1      LYS  14  22.753   4.840   2.999
  133    HG2  LYS  14           HG2      LYS  14  20.390   4.061   1.254
  134    HG3  LYS  14           HG1      LYS  14  20.265   5.075   2.689
  135    HD2  LYS  14           HD2      LYS  14  20.767   6.861   1.406
  136    HD3  LYS  14           HD1      LYS  14  22.374   6.183   1.172
  137    HE2  LYS  14           HE2      LYS  14  21.737   5.095  -0.846
  138    HE3  LYS  14           HE1      LYS  14  20.024   5.338  -0.528
  139    HZ1  LYS  14           HZ1      LYS  14  21.612   7.751  -0.633
  140    HZ2  LYS  14           HZ2      LYS  14  20.085   7.428  -1.298
  141    HZ3  LYS  14           HZ3      LYS  14  21.491   6.913  -2.099
  142    H    ILE  15           HN       ILE  15  22.168   1.172   1.976
  143    HA   ILE  15           HA       ILE  15  24.293   0.266   3.629
  144    HB   ILE  15           HB       ILE  15  22.184  -1.314   2.136
  145   HG12  ILE  15          HG12      ILE  15  21.502   0.537   3.841
  146   HG13  ILE  15          HG11      ILE  15  20.796  -1.066   4.029
  147   HG21  ILE  15          HG21      ILE  15  22.617  -2.967   4.017
  148   HG22  ILE  15          HG22      ILE  15  24.059  -2.033   4.402
  149   HG23  ILE  15          HG23      ILE  15  23.917  -2.826   2.833
  150   HD11  ILE  15          HD11      ILE  15  21.882   0.187   6.096
  151   HD12  ILE  15          HD12      ILE  15  23.377  -0.463   5.425
  152   HD13  ILE  15          HD13      ILE  15  22.078  -1.555   5.904
  153    H    ALA  16           HN       ALA  16  23.388  -0.398   0.254
  154    HA   ALA  16           HA       ALA  16  25.467  -2.180  -0.370
  155    HB1  ALA  16           HB1      ALA  16  23.355  -1.257  -1.750
  156    HB2  ALA  16           HB2      ALA  16  24.750  -1.985  -2.543
  157    HB3  ALA  16           HB3      ALA  16  24.605  -0.230  -2.452
  158    H    ALA  17           HN       ALA  17  25.288   1.362  -0.569
  159    HA   ALA  17           HA       ALA  17  27.910   1.733  -1.617
  160    HB1  ALA  17           HB1      ALA  17  27.591   4.089  -0.630
  161    HB2  ALA  17           HB2      ALA  17  25.980   3.545  -0.166
  162    HB3  ALA  17           HB3      ALA  17  26.447   3.575  -1.866
  163    H    PHE  18           HN       PHE  18  26.565   1.547   1.622
  164    HA   PHE  18           HA       PHE  18  28.948   2.291   3.007
  165    HB2  PHE  18           HB2      PHE  18  27.228   2.519   4.478
  166    HB3  PHE  18           HB1      PHE  18  26.258   1.285   3.686
  167    HD1  PHE  18           HD1      PHE  18  25.937  -0.772   4.740
  168    HD2  PHE  18           HD2      PHE  18  29.342   1.633   5.815
  169    HE1  PHE  18           HE1      PHE  18  26.524  -2.375   6.546
  170    HE2  PHE  18           HE2      PHE  18  29.917   0.031   7.603
  171    HZ   PHE  18           HZ       PHE  18  28.518  -1.974   7.977
  172    H    LYS  19           HN       LYS  19  27.472  -0.831   2.146
  173    HA   LYS  19           HA       LYS  19  29.643  -2.344   3.316
  174    HB2  LYS  19           HB2      LYS  19  27.063  -2.929   2.009
  175    HB3  LYS  19           HB1      LYS  19  28.330  -4.116   1.704
  176    HG2  LYS  19           HG2      LYS  19  28.490  -4.729   3.928
  177    HG3  LYS  19           HG1      LYS  19  27.989  -3.141   4.509
  178    HD2  LYS  19           HD2      LYS  19  25.688  -3.568   3.899
  179    HD3  LYS  19           HD1      LYS  19  26.126  -5.091   3.122
  180    HE2  LYS  19           HE2      LYS  19  26.676  -4.549   6.047
  181    HE3  LYS  19           HE1      LYS  19  25.159  -5.255   5.496
  182    HZ1  LYS  19           HZ2      LYS  19  26.197  -7.155   4.768
  183    HZ2  LYS  19           HZ3      LYS  19  27.092  -6.794   6.162
  184    HZ3  LYS  19           HZ1      LYS  19  27.724  -6.418   4.635
  185    HN1  NH2  20           H1       LYS  19  29.134  -0.783   0.286
  Start of MODEL    2
    1    H2   PRO   1           HT1      PRO   1   2.893  -2.809   3.452
    2    H3   PRO   1           HT2      PRO   1   1.888  -2.206   4.688
    3    HA   PRO   1           HA       PRO   1   2.872  -0.266   4.435
    4    HB2  PRO   1           HB2      PRO   1   5.598  -1.037   5.119
    5    HB3  PRO   1           HB1      PRO   1   4.420  -0.149   6.108
    6    HG2  PRO   1           HG2      PRO   1   5.245  -2.704   6.617
    7    HG3  PRO   1           HG1      PRO   1   3.695  -2.030   7.143
    8    HD2  PRO   1           HD2      PRO   1   4.255  -3.902   4.864
    9    HD3  PRO   1           HD1      PRO   1   2.835  -3.803   5.929
   10    H    MET   2           HN       MET   2   2.547  -0.779   2.048
   11    HA   MET   2           HA       MET   2   4.563  -1.651   0.342
   12    HB2  MET   2           HB2      MET   2   2.391   0.407  -0.136
   13    HB3  MET   2           HB1      MET   2   3.370  -0.316  -1.413
   14    HG2  MET   2           HG2      MET   2   2.559  -2.535  -0.850
   15    HG3  MET   2           HG1      MET   2   1.679  -1.908   0.540
   16    HE1  MET   2           HE1      MET   2   2.307  -1.950  -3.079
   17    HE2  MET   2           HE2      MET   2   0.793  -1.587  -3.897
   18    HE3  MET   2           HE3      MET   2   0.985  -3.131  -3.072
   19    H    ALA   3           HN       ALA   3   4.161   1.448   1.936
   20    HA   ALA   3           HA       ALA   3   5.964   2.911   0.277
   21    HB1  ALA   3           HB1      ALA   3   5.883   4.624   1.941
   22    HB2  ALA   3           HB2      ALA   3   5.387   3.483   3.190
   23    HB3  ALA   3           HB3      ALA   3   4.271   3.911   1.896
   24    H    ARG   4           HN       ARG   4   6.337   1.231   3.401
   25    HA   ARG   4           HA       ARG   4   9.018   1.833   3.871
   26    HB2  ARG   4           HB2      ARG   4   7.426  -0.654   4.530
   27    HB3  ARG   4           HB1      ARG   4   9.084  -0.404   5.074
   28    HG2  ARG   4           HG2      ARG   4   8.349   1.770   6.108
   29    HG3  ARG   4           HG1      ARG   4   6.686   1.357   5.681
   30    HD2  ARG   4           HD2      ARG   4   7.376   0.773   8.051
   31    HD3  ARG   4           HD1      ARG   4   6.691  -0.556   7.129
   32    HE   ARG   4           HE       ARG   4   9.322  -0.879   6.692
   33   HH11  ARG   4          HH11      ARG   4  10.756  -1.991   8.066
   34   HH12  ARG   4          HH12      ARG   4  10.431  -2.069   9.766
   35   HH21  ARG   4          HH21      ARG   4   7.467  -0.265   9.556
   36   HH22  ARG   4          HH22      ARG   4   8.574  -1.080  10.611
   37    H    ASN   5           HN       ASN   5   7.586  -0.809   1.985
   38    HA   ASN   5           HA       ASN   5   9.937  -2.110   1.192
   39    HB2  ASN   5           HB2      ASN   5   7.592  -2.912   0.750
   40    HB3  ASN   5           HB1      ASN   5   7.466  -1.693  -0.516
   41   HD21  ASN   5          HD21      ASN   5  10.587  -2.364  -0.854
   42   HD22  ASN   5          HD22      ASN   5  10.522  -3.699  -1.900
   43    H    LYS   6           HN       LYS   6   8.211   0.651  -0.219
   44    HA   LYS   6           HA       LYS   6   9.949   1.024  -2.425
   45    HB2  LYS   6           HB2      LYS   6   7.604   2.227  -1.476
   46    HB3  LYS   6           HB1      LYS   6   8.816   3.506  -1.398
   47    HG2  LYS   6           HG2      LYS   6   8.773   1.834  -3.871
   48    HG3  LYS   6           HG1      LYS   6   7.433   2.959  -3.650
   49    HD2  LYS   6           HD2      LYS   6   9.172   4.757  -3.183
   50    HD3  LYS   6           HD1      LYS   6  10.390   3.605  -3.723
   51    HE2  LYS   6           HE2      LYS   6   8.521   3.478  -5.748
   52    HE3  LYS   6           HE1      LYS   6   8.475   5.180  -5.298
   53    HZ1  LYS   6           HZ1      LYS   6  11.011   5.000  -5.383
   54    HZ2  LYS   6           HZ2      LYS   6  10.155   5.085  -6.843
   55    HZ3  LYS   6           HZ3      LYS   6  10.749   3.591  -6.289
   56    H    ILE   7           HN       ILE   7   9.898   2.302   0.876
   57    HA   ILE   7           HA       ILE   7  12.110   4.066   0.563
   58    HB   ILE   7           HB       ILE   7  11.102   2.681   3.063
   59   HG12  ILE   7          HG12      ILE   7   9.543   4.234   1.606
   60   HG13  ILE   7          HG11      ILE   7   9.607   4.452   3.353
   61   HG21  ILE   7          HG21      ILE   7  12.950   5.034   2.604
   62   HG22  ILE   7          HG22      ILE   7  13.285   3.557   3.506
   63   HG23  ILE   7          HG23      ILE   7  12.148   4.742   4.148
   64   HD11  ILE   7          HD11      ILE   7  11.411   5.996   1.476
   65   HD12  ILE   7          HD12      ILE   7  11.054   6.345   3.165
   66   HD13  ILE   7          HD13      ILE   7   9.814   6.585   1.934
   67    H    LEU   8           HN       LEU   8  11.759   0.673   1.401
   68    HA   LEU   8           HA       LEU   8  14.338   0.105   2.302
   69    HB2  LEU   8           HB2      LEU   8  12.066  -1.374   1.760
   70    HB3  LEU   8           HB1      LEU   8  13.207  -1.968   0.556
   71    HG   LEU   8           HG       LEU   8  13.402  -3.306   2.591
   72   HD11  LEU   8          HD11      LEU   8  15.485  -2.768   1.327
   73   HD12  LEU   8          HD12      LEU   8  15.778  -3.039   3.043
   74   HD13  LEU   8          HD13      LEU   8  15.750  -1.398   2.406
   75   HD21  LEU   8          HD21      LEU   8  12.581  -1.271   4.010
   76   HD22  LEU   8          HD22      LEU   8  14.298  -0.876   4.111
   77   HD23  LEU   8          HD23      LEU   8  13.709  -2.418   4.729
   78    H    GLY   9           HN       GLY   9  13.036   0.079  -1.015
   79    HA2  GLY   9           HA2      GLY   9  15.314  -0.759  -2.383
   80    HA3  GLY   9           HA1      GLY   9  14.113   0.351  -3.045
   81    H    LYS  10           HN       LYS  10  14.422   2.424  -1.174
   82    HA   LYS  10           HA       LYS  10  16.659   3.824  -2.274
   83    HB2  LYS  10           HB2      LYS  10  14.393   4.741  -1.351
   84    HB3  LYS  10           HB1      LYS  10  15.195   4.667   0.219
   85    HG2  LYS  10           HG2      LYS  10  16.953   5.872  -1.751
   86    HG3  LYS  10           HG1      LYS  10  15.407   6.723  -1.713
   87    HD2  LYS  10           HD2      LYS  10  16.048   6.254   0.991
   88    HD3  LYS  10           HD1      LYS  10  17.563   6.740   0.235
   89    HE2  LYS  10           HE2      LYS  10  16.540   8.776   0.900
   90    HE3  LYS  10           HE1      LYS  10  16.238   8.663  -0.829
   91    HZ1  LYS  10           HZ1      LYS  10  14.203   9.227   0.119
   92    HZ2  LYS  10           HZ2      LYS  10  14.369   8.118   1.390
   93    HZ3  LYS  10           HZ3      LYS  10  14.072   7.566  -0.186
   94    H    ILE  11           HN       ILE  11  15.939   2.225   0.773
   95    HA   ILE  11           HA       ILE  11  18.281   3.027   2.159
   96    HB   ILE  11           HB       ILE  11  16.431   0.672   2.591
   97   HG12  ILE  11          HG12      ILE  11  15.654   3.190   2.760
   98   HG13  ILE  11          HG11      ILE  11  15.202   2.055   4.032
   99   HG21  ILE  11          HG21      ILE  11  18.193  -0.006   3.894
  100   HG22  ILE  11          HG22      ILE  11  17.484   1.148   5.021
  101   HG23  ILE  11          HG23      ILE  11  18.862   1.618   4.027
  102   HD11  ILE  11          HD11      ILE  11  16.280   4.386   4.648
  103   HD12  ILE  11          HD12      ILE  11  17.787   3.556   4.265
  104   HD13  ILE  11          HD13      ILE  11  16.742   2.936   5.542
  105    H    LEU  12           HN       LEU  12  17.618   0.440  -0.105
  106    HA   LEU  12           HA       LEU  12  19.695  -1.303   0.543
  107    HB2  LEU  12           HB2      LEU  12  18.583  -0.627  -2.185
  108    HB3  LEU  12           HB1      LEU  12  19.672  -1.980  -1.867
  109    HG   LEU  12           HG       LEU  12  16.880  -1.570  -0.761
  110   HD11  LEU  12          HD11      LEU  12  16.356  -3.580  -1.970
  111   HD12  LEU  12          HD12      LEU  12  18.052  -3.848  -2.367
  112   HD13  LEU  12          HD13      LEU  12  17.180  -2.494  -3.087
  113   HD21  LEU  12          HD21      LEU  12  17.391  -3.913   0.246
  114   HD22  LEU  12          HD22      LEU  12  18.035  -2.498   1.077
  115   HD23  LEU  12          HD23      LEU  12  19.085  -3.470   0.045
  116    H    ARG  13           HN       ARG  13  19.722   1.534  -1.529
  117    HA   ARG  13           HA       ARG  13  22.393   1.314  -2.387
  118    HB2  ARG  13           HB2      ARG  13  21.260   4.030  -1.949
  119    HB3  ARG  13           HB1      ARG  13  22.066   3.361  -3.365
  120    HG2  ARG  13           HG2      ARG  13  19.224   2.756  -2.468
  121    HG3  ARG  13           HG1      ARG  13  19.693   3.724  -3.869
  122    HD2  ARG  13           HD2      ARG  13  19.849   0.758  -3.482
  123    HD3  ARG  13           HD1      ARG  13  19.262   1.670  -4.861
  124    HE   ARG  13           HE       ARG  13  22.038   2.134  -4.583
  125   HH11  ARG  13          HH11      ARG  13  23.467   1.050  -5.995
  126   HH12  ARG  13          HH12      ARG  13  22.966  -0.418  -6.769
  127   HH21  ARG  13          HH21      ARG  13  19.800  -0.415  -5.310
  128   HH22  ARG  13          HH22      ARG  13  20.875  -1.252  -6.381
  129    H    LYS  14           HN       LYS  14  20.962   2.377   0.601
  130    HA   LYS  14           HA       LYS  14  23.234   3.826   1.576
  131    HB2  LYS  14           HB2      LYS  14  21.204   2.452   3.333
  132    HB3  LYS  14           HB1      LYS  14  22.100   3.936   3.646
  133    HG2  LYS  14           HG2      LYS  14  20.142   3.728   1.348
  134    HG3  LYS  14           HG1      LYS  14  19.624   4.186   2.971
  135    HD2  LYS  14           HD2      LYS  14  20.142   6.307   2.326
  136    HD3  LYS  14           HD1      LYS  14  21.808   5.816   2.630
  137    HE2  LYS  14           HE2      LYS  14  21.944   5.047   0.228
  138    HE3  LYS  14           HE1      LYS  14  20.359   5.775  -0.038
  139    HZ1  LYS  14           HZ1      LYS  14  21.769   7.730   1.215
  140    HZ2  LYS  14           HZ2      LYS  14  21.499   7.622  -0.460
  141    HZ3  LYS  14           HZ3      LYS  14  22.934   7.016   0.210
  142    H    ILE  15           HN       ILE  15  21.984   0.528   2.061
  143    HA   ILE  15           HA       ILE  15  24.127  -0.244   3.761
  144    HB   ILE  15           HB       ILE  15  23.091  -2.252   3.926
  145   HG12  ILE  15          HG12      ILE  15  21.975  -3.305   1.792
  146   HG13  ILE  15          HG11      ILE  15  22.973  -2.145   0.919
  147   HG21  ILE  15          HG21      ILE  15  20.748  -2.104   3.636
  148   HG22  ILE  15          HG22      ILE  15  20.905  -1.053   2.229
  149   HG23  ILE  15          HG23      ILE  15  21.277  -0.435   3.838
  150   HD11  ILE  15          HD11      ILE  15  24.609  -3.343   2.925
  151   HD12  ILE  15          HD12      ILE  15  24.752  -3.507   1.176
  152   HD13  ILE  15          HD13      ILE  15  23.759  -4.641   2.090
  153    H    ALA  16           HN       ALA  16  23.597  -0.285   0.295
  154    HA   ALA  16           HA       ALA  16  25.869  -1.816  -0.440
  155    HB1  ALA  16           HB1      ALA  16  25.609  -0.635  -2.663
  156    HB2  ALA  16           HB2      ALA  16  24.302   0.300  -1.939
  157    HB3  ALA  16           HB3      ALA  16  24.153  -1.450  -2.091
  158    H    ALA  17           HN       ALA  17  25.325   1.689  -0.172
  159    HA   ALA  17           HA       ALA  17  28.019   2.411  -0.790
  160    HB1  ALA  17           HB1      ALA  17  25.963   3.947  -0.859
  161    HB2  ALA  17           HB2      ALA  17  27.429   4.622  -0.150
  162    HB3  ALA  17           HB3      ALA  17  26.124   4.060   0.894
  163    H    PHE  18           HN       PHE  18  26.320   1.460   2.079
  164    HA   PHE  18           HA       PHE  18  28.300   2.320   3.964
  165    HB2  PHE  18           HB2      PHE  18  26.284   2.008   5.026
  166    HB3  PHE  18           HB1      PHE  18  25.828   0.669   3.986
  167    HD1  PHE  18           HD1      PHE  18  26.097  -1.554   4.686
  168    HD2  PHE  18           HD2      PHE  18  28.137   1.590   6.787
  169    HE1  PHE  18           HE1      PHE  18  26.800  -3.169   6.432
  170    HE2  PHE  18           HE2      PHE  18  28.841  -0.023   8.527
  171    HZ   PHE  18           HZ       PHE  18  28.174  -2.402   8.354
  172    H    LYS  19           HN       LYS  19  27.704  -0.583   2.073
  173    HA   LYS  19           HA       LYS  19  29.881  -2.017   3.397
  174    HB2  LYS  19           HB2      LYS  19  27.874  -2.751   1.266
  175    HB3  LYS  19           HB1      LYS  19  29.253  -3.787   1.637
  176    HG2  LYS  19           HG2      LYS  19  28.274  -3.216   4.154
  177    HG3  LYS  19           HG1      LYS  19  26.800  -3.300   3.193
  178    HD2  LYS  19           HD2      LYS  19  26.907  -5.542   3.212
  179    HD3  LYS  19           HD1      LYS  19  28.464  -5.476   2.385
  180    HE2  LYS  19           HE2      LYS  19  27.983  -5.411   5.379
  181    HE3  LYS  19           HE1      LYS  19  28.768  -6.693   4.457
  182    HZ1  LYS  19           HZ2      LYS  19  30.390  -4.852   3.764
  183    HZ2  LYS  19           HZ3      LYS  19  30.527  -5.488   5.329
  184    HZ3  LYS  19           HZ1      LYS  19  29.771  -3.991   5.090
  185    HN1  NH2  20           H1       LYS  19  29.220  -0.416   0.287
  Start of MODEL    3
    1    H2   PRO   1           HT1      PRO   1   4.871  -3.801   1.682
    2    H3   PRO   1           HT2      PRO   1   3.489  -4.116   2.627
    3    HA   PRO   1           HA       PRO   1   2.929  -2.011   2.119
    4    HB2  PRO   1           HB2      PRO   1   4.772  -0.589   3.740
    5    HB3  PRO   1           HB1      PRO   1   3.176  -1.194   4.226
    6    HG2  PRO   1           HG2      PRO   1   5.658  -2.107   5.158
    7    HG3  PRO   1           HG1      PRO   1   4.085  -2.885   5.392
    8    HD2  PRO   1           HD2      PRO   1   6.250  -3.568   3.445
    9    HD3  PRO   1           HD1      PRO   1   5.035  -4.630   4.194
   10    H    MET   2           HN       MET   2   3.438  -1.466   0.025
   11    HA   MET   2           HA       MET   2   5.942  -1.297  -1.108
   12    HB2  MET   2           HB2      MET   2   4.865   0.314  -2.747
   13    HB3  MET   2           HB1      MET   2   4.052  -1.236  -2.544
   14    HG2  MET   2           HG2      MET   2   2.247   0.230  -2.384
   15    HG3  MET   2           HG1      MET   2   2.684   0.056  -0.687
   16    HE1  MET   2           HE1      MET   2   2.785   1.994  -3.878
   17    HE2  MET   2           HE2      MET   2   4.520   2.154  -3.621
   18    HE3  MET   2           HE3      MET   2   3.488   3.573  -3.506
   19    H    ALA   3           HN       ALA   3   4.164   1.225   0.638
   20    HA   ALA   3           HA       ALA   3   5.890   3.375   0.134
   21    HB1  ALA   3           HB1      ALA   3   4.033   2.680   2.393
   22    HB2  ALA   3           HB2      ALA   3   3.924   3.999   1.227
   23    HB3  ALA   3           HB3      ALA   3   5.099   4.077   2.539
   24    H    ARG   4           HN       ARG   4   5.947   0.939   2.719
   25    HA   ARG   4           HA       ARG   4   8.393   1.943   3.853
   26    HB2  ARG   4           HB2      ARG   4   7.068  -0.761   4.208
   27    HB3  ARG   4           HB1      ARG   4   8.359  -0.100   5.211
   28    HG2  ARG   4           HG2      ARG   4   6.291   1.867   5.069
   29    HG3  ARG   4           HG1      ARG   4   5.527   0.324   5.456
   30    HD2  ARG   4           HD2      ARG   4   6.139   1.220   7.558
   31    HD3  ARG   4           HD1      ARG   4   7.388   0.033   7.205
   32    HE   ARG   4           HE       ARG   4   7.883   2.843   6.456
   33   HH11  ARG   4          HH11      ARG   4   9.748   3.742   7.410
   34   HH12  ARG   4          HH12      ARG   4  10.640   2.843   8.592
   35   HH21  ARG   4          HH21      ARG   4   8.564   0.071   8.458
   36   HH22  ARG   4          HH22      ARG   4   9.969   0.775   9.184
   37    H    ASN   5           HN       ASN   5   7.516  -0.818   1.788
   38    HA   ASN   5           HA       ASN   5   9.978  -2.046   1.502
   39    HB2  ASN   5           HB2      ASN   5   7.704  -1.654  -0.422
   40    HB3  ASN   5           HB1      ASN   5   9.162  -2.488  -0.929
   41   HD21  ASN   5          HD21      ASN   5   9.500  -4.615  -0.166
   42   HD22  ASN   5          HD22      ASN   5   8.388  -5.444   0.815
   43    H    LYS   6           HN       LYS   6   8.673   0.725  -0.297
   44    HA   LYS   6           HA       LYS   6  11.000   1.081  -1.899
   45    HB2  LYS   6           HB2      LYS   6   8.713   1.982  -2.460
   46    HB3  LYS   6           HB1      LYS   6   8.919   3.163  -1.173
   47    HG2  LYS   6           HG2      LYS   6   9.526   3.895  -3.581
   48    HG3  LYS   6           HG1      LYS   6  10.684   4.269  -2.308
   49    HD2  LYS   6           HD2      LYS   6  12.178   2.609  -2.992
   50    HD3  LYS   6           HD1      LYS   6  10.920   1.669  -3.789
   51    HE2  LYS   6           HE2      LYS   6  11.674   4.406  -4.792
   52    HE3  LYS   6           HE1      LYS   6  12.570   2.971  -5.293
   53    HZ1  LYS   6           HZ1      LYS   6  10.997   2.714  -6.816
   54    HZ2  LYS   6           HZ2      LYS   6   9.982   3.856  -6.092
   55    HZ3  LYS   6           HZ3      LYS   6   9.959   2.247  -5.559
   56    H    ILE   7           HN       ILE   7   9.808   2.653   1.082
   57    HA   ILE   7           HA       ILE   7  11.920   4.488   1.357
   58    HB   ILE   7           HB       ILE   7  10.179   3.147   3.438
   59   HG12  ILE   7          HG12      ILE   7   9.318   4.798   1.564
   60   HG13  ILE   7          HG11      ILE   7   8.774   4.991   3.227
   61   HG21  ILE   7          HG21      ILE   7  11.928   3.868   4.778
   62   HG22  ILE   7          HG22      ILE   7  10.962   5.340   4.707
   63   HG23  ILE   7          HG23      ILE   7  12.378   5.165   3.674
   64   HD11  ILE   7          HD11      ILE   7  10.267   6.799   3.622
   65   HD12  ILE   7          HD12      ILE   7   9.583   7.113   2.028
   66   HD13  ILE   7          HD13      ILE   7  11.207   6.444   2.175
   67    H    LEU   8           HN       LEU   8  11.574   1.176   2.696
   68    HA   LEU   8           HA       LEU   8  14.179   1.242   3.890
   69    HB2  LEU   8           HB2      LEU   8  13.818  -0.961   4.559
   70    HB3  LEU   8           HB1      LEU   8  12.182  -0.319   4.475
   71    HG   LEU   8           HG       LEU   8  12.351  -1.237   1.966
   72   HD11  LEU   8          HD11      LEU   8  14.709  -1.999   2.248
   73   HD12  LEU   8          HD12      LEU   8  13.621  -3.342   1.901
   74   HD13  LEU   8          HD13      LEU   8  14.185  -3.070   3.550
   75   HD21  LEU   8          HD21      LEU   8  11.866  -2.965   4.415
   76   HD22  LEU   8          HD22      LEU   8  11.291  -3.326   2.787
   77   HD23  LEU   8          HD23      LEU   8  10.676  -1.914   3.645
   78    H    GLY   9           HN       GLY   9  12.871   0.193   0.795
   79    HA2  GLY   9           HA2      GLY   9  15.111  -1.142  -0.235
   80    HA3  GLY   9           HA1      GLY   9  13.926  -0.266  -1.205
   81    H    LYS  10           HN       LYS  10  14.273   2.282  -0.109
   82    HA   LYS  10           HA       LYS  10  16.419   3.296  -1.634
   83    HB2  LYS  10           HB2      LYS  10  14.405   4.599  -0.895
   84    HB3  LYS  10           HB1      LYS  10  15.078   4.625   0.735
   85    HG2  LYS  10           HG2      LYS  10  17.212   5.485  -0.799
   86    HG3  LYS  10           HG1      LYS  10  15.837   6.205  -1.632
   87    HD2  LYS  10           HD2      LYS  10  16.125   6.401   1.372
   88    HD3  LYS  10           HD1      LYS  10  16.913   7.556   0.295
   89    HE2  LYS  10           HE2      LYS  10  13.939   6.938   0.285
   90    HE3  LYS  10           HE1      LYS  10  14.672   8.347   1.052
   91    HZ1  LYS  10           HZ1      LYS  10  14.723   7.666  -1.836
   92    HZ2  LYS  10           HZ2      LYS  10  15.599   8.949  -1.146
   93    HZ3  LYS  10           HZ3      LYS  10  13.900   8.959  -1.115
   94    H    ILE  11           HN       ILE  11  16.114   2.408   1.768
   95    HA   ILE  11           HA       ILE  11  18.596   3.444   2.639
   96    HB   ILE  11           HB       ILE  11  17.085   1.071   3.747
   97   HG12  ILE  11          HG12      ILE  11  15.827   3.317   3.466
   98   HG13  ILE  11          HG11      ILE  11  15.825   2.571   5.062
   99   HG21  ILE  11          HG21      ILE  11  18.865   0.966   5.114
  100   HG22  ILE  11          HG22      ILE  11  18.301   2.483   5.808
  101   HG23  ILE  11          HG23      ILE  11  19.511   2.496   4.525
  102   HD11  ILE  11          HD11      ILE  11  17.552   4.054   5.838
  103   HD12  ILE  11          HD12      ILE  11  16.315   5.044   5.062
  104   HD13  ILE  11          HD13      ILE  11  17.819   4.685   4.212
  105    H    LEU  12           HN       LEU  12  17.659   0.401   1.137
  106    HA   LEU  12           HA       LEU  12  20.003  -1.057   1.598
  107    HB2  LEU  12           HB2      LEU  12  18.323  -1.138  -0.910
  108    HB3  LEU  12           HB1      LEU  12  19.394  -2.405  -0.313
  109    HG   LEU  12           HG       LEU  12  16.875  -1.396   1.049
  110   HD11  LEU  12          HD11      LEU  12  16.247  -3.844   0.773
  111   HD12  LEU  12          HD12      LEU  12  17.636  -3.995  -0.299
  112   HD13  LEU  12          HD13      LEU  12  16.312  -2.914  -0.727
  113   HD21  LEU  12          HD21      LEU  12  19.036  -3.309   1.928
  114   HD22  LEU  12          HD22      LEU  12  17.410  -3.346   2.612
  115   HD23  LEU  12          HD23      LEU  12  18.412  -1.905   2.791
  116    H    ARG  13           HN       ARG  13  19.189   1.273  -0.902
  117    HA   ARG  13           HA       ARG  13  21.470   0.990  -2.505
  118    HB2  ARG  13           HB2      ARG  13  20.292   3.698  -2.046
  119    HB3  ARG  13           HB1      ARG  13  20.774   2.933  -3.556
  120    HG2  ARG  13           HG2      ARG  13  18.328   2.228  -1.892
  121    HG3  ARG  13           HG1      ARG  13  18.320   3.081  -3.433
  122    HD2  ARG  13           HD2      ARG  13  18.901   0.190  -2.868
  123    HD3  ARG  13           HD1      ARG  13  17.835   0.895  -4.076
  124    HE   ARG  13           HE       ARG  13  20.603   1.548  -4.511
  125   HH11  ARG  13          HH11      ARG  13  21.520   0.670  -6.407
  126   HH12  ARG  13          HH12      ARG  13  20.747  -0.670  -7.191
  127   HH21  ARG  13          HH21      ARG  13  18.137  -0.850  -4.917
  128   HH22  ARG  13          HH22      ARG  13  18.832  -1.528  -6.348
  129    H    LYS  14           HN       LYS  14  20.906   2.649   0.528
  130    HA   LYS  14           HA       LYS  14  23.408   4.080   0.534
  131    HB2  LYS  14           HB2      LYS  14  22.108   3.382   3.123
  132    HB3  LYS  14           HB1      LYS  14  22.790   4.911   2.588
  133    HG2  LYS  14           HG2      LYS  14  20.292   3.928   1.243
  134    HG3  LYS  14           HG1      LYS  14  20.162   4.605   2.859
  135    HD2  LYS  14           HD2      LYS  14  19.901   6.517   1.584
  136    HD3  LYS  14           HD1      LYS  14  21.644   6.539   1.833
  137    HE2  LYS  14           HE2      LYS  14  21.744   5.139  -0.364
  138    HE3  LYS  14           HE1      LYS  14  20.104   5.731  -0.633
  139    HZ1  LYS  14           HZ1      LYS  14  20.830   7.922  -0.690
  140    HZ2  LYS  14           HZ2      LYS  14  22.029   7.087  -1.551
  141    HZ3  LYS  14           HZ3      LYS  14  22.311   7.562   0.050
  142    H    ILE  15           HN       ILE  15  22.132   1.125   2.003
  143    HA   ILE  15           HA       ILE  15  24.502   0.352   3.334
  144    HB   ILE  15           HB       ILE  15  22.295  -1.423   2.244
  145   HG12  ILE  15          HG12      ILE  15  21.675   0.532   3.835
  146   HG13  ILE  15          HG11      ILE  15  21.135  -1.085   4.276
  147   HG21  ILE  15          HG21      ILE  15  23.957  -2.915   2.880
  148   HG22  ILE  15          HG22      ILE  15  23.114  -2.714   4.416
  149   HG23  ILE  15          HG23      ILE  15  24.611  -1.832   4.107
  150   HD11  ILE  15          HD11      ILE  15  23.745   0.065   5.286
  151   HD12  ILE  15          HD12      ILE  15  22.861  -1.336   5.893
  152   HD13  ILE  15          HD13      ILE  15  22.222   0.288   6.147
  153    H    ALA  16           HN       ALA  16  23.216  -0.328   0.104
  154    HA   ALA  16           HA       ALA  16  25.147  -2.180  -0.745
  155    HB1  ALA  16           HB1      ALA  16  24.487  -1.597  -2.996
  156    HB2  ALA  16           HB2      ALA  16  23.845  -0.048  -2.453
  157    HB3  ALA  16           HB3      ALA  16  23.044  -1.546  -1.982
  158    H    ALA  17           HN       ALA  17  25.162   1.342  -0.651
  159    HA   ALA  17           HA       ALA  17  27.706   1.578  -1.991
  160    HB1  ALA  17           HB1      ALA  17  26.216   3.621  -0.324
  161    HB2  ALA  17           HB2      ALA  17  25.982   3.371  -2.055
  162    HB3  ALA  17           HB3      ALA  17  27.533   3.944  -1.447
  163    H    PHE  18           HN       PHE  18  26.545   1.840   1.363
  164    HA   PHE  18           HA       PHE  18  29.098   2.399   2.494
  165    HB2  PHE  18           HB2      PHE  18  27.253   3.010   3.837
  166    HB3  PHE  18           HB1      PHE  18  26.478   1.441   3.630
  167    HD1  PHE  18           HD1      PHE  18  26.441   0.222   5.615
  168    HD2  PHE  18           HD2      PHE  18  29.920   2.544   4.651
  169    HE1  PHE  18           HE1      PHE  18  27.562  -0.613   7.667
  170    HE2  PHE  18           HE2      PHE  18  31.039   1.707   6.694
  171    HZ   PHE  18           HZ       PHE  18  29.858   0.142   8.212
  172    H    LYS  19           HN       LYS  19  27.186  -0.605   2.228
  173    HA   LYS  19           HA       LYS  19  29.449  -2.137   3.273
  174    HB2  LYS  19           HB2      LYS  19  26.630  -2.505   3.199
  175    HB3  LYS  19           HB1      LYS  19  27.346  -3.811   2.257
  176    HG2  LYS  19           HG2      LYS  19  27.237  -4.542   4.548
  177    HG3  LYS  19           HG1      LYS  19  28.931  -4.221   4.181
  178    HD2  LYS  19           HD2      LYS  19  28.928  -2.190   5.389
  179    HD3  LYS  19           HD1      LYS  19  27.165  -2.098   5.404
  180    HE2  LYS  19           HE2      LYS  19  28.820  -4.200   6.829
  181    HE3  LYS  19           HE1      LYS  19  28.068  -2.805   7.603
  182    HZ1  LYS  19           HZ2      LYS  19  25.919  -3.695   6.598
  183    HZ2  LYS  19           HZ3      LYS  19  26.567  -4.529   7.924
  184    HZ3  LYS  19           HZ1      LYS  19  26.767  -5.153   6.359
  185    HN1  NH2  20           H1       LYS  19  28.547  -0.965   0.247
  Start of MODEL    4
    1    H2   PRO   1           HT1      PRO   1   2.816  -1.859   2.713
    2    H3   PRO   1           HT2      PRO   1   2.805  -2.125   4.392
    3    HA   PRO   1           HA       PRO   1   4.970  -2.477   4.355
    4    HB2  PRO   1           HB2      PRO   1   5.076  -4.590   2.337
    5    HB3  PRO   1           HB1      PRO   1   5.377  -4.691   4.083
    6    HG2  PRO   1           HG2      PRO   1   3.183  -5.737   2.840
    7    HG3  PRO   1           HG1      PRO   1   3.237  -5.266   4.545
    8    HD2  PRO   1           HD2      PRO   1   1.941  -3.869   2.246
    9    HD3  PRO   1           HD1      PRO   1   1.494  -3.866   3.963
   10    H    MET   2           HN       MET   2   3.459  -2.142   1.209
   11    HA   MET   2           HA       MET   2   5.649  -1.873  -0.462
   12    HB2  MET   2           HB2      MET   2   2.890  -0.755  -0.444
   13    HB3  MET   2           HB1      MET   2   4.055  -0.034  -1.552
   14    HG2  MET   2           HG2      MET   2   3.548  -3.017  -1.367
   15    HG3  MET   2           HG1      MET   2   2.750  -1.958  -2.533
   16    HE1  MET   2           HE1      MET   2   4.272  -4.405  -3.534
   17    HE2  MET   2           HE2      MET   2   5.302  -4.410  -2.106
   18    HE3  MET   2           HE3      MET   2   6.030  -4.304  -3.705
   19    H    ALA   3           HN       ALA   3   4.212   0.553   1.679
   20    HA   ALA   3           HA       ALA   3   5.638   2.785   0.834
   21    HB1  ALA   3           HB1      ALA   3   4.564   1.983   3.534
   22    HB2  ALA   3           HB2      ALA   3   3.914   3.171   2.404
   23    HB3  ALA   3           HB3      ALA   3   5.399   3.516   3.291
   24    H    ARG   4           HN       ARG   4   6.524   0.354   3.277
   25    HA   ARG   4           HA       ARG   4   9.080   1.545   3.781
   26    HB2  ARG   4           HB2      ARG   4   7.733  -1.012   4.548
   27    HB3  ARG   4           HB1      ARG   4   9.478  -0.866   4.751
   28    HG2  ARG   4           HG2      ARG   4   9.276   0.987   6.221
   29    HG3  ARG   4           HG1      ARG   4   7.584   1.253   5.781
   30    HD2  ARG   4           HD2      ARG   4   7.850   0.140   8.005
   31    HD3  ARG   4           HD1      ARG   4   6.927  -0.822   6.855
   32    HE   ARG   4           HE       ARG   4   9.725  -1.482   6.779
   33   HH11  ARG   4          HH11      ARG   4  10.333  -3.510   7.655
   34   HH12  ARG   4          HH12      ARG   4   9.225  -4.368   8.677
   35   HH21  ARG   4          HH21      ARG   4   6.786  -1.880   8.540
   36   HH22  ARG   4          HH22      ARG   4   7.203  -3.426   9.193
   37    H    ASN   5           HN       ASN   5   7.937  -1.247   1.905
   38    HA   ASN   5           HA       ASN   5  10.360  -2.215   0.966
   39    HB2  ASN   5           HB2      ASN   5   8.105  -3.205   0.480
   40    HB3  ASN   5           HB1      ASN   5   7.860  -1.926  -0.709
   41   HD21  ASN   5          HD21      ASN   5  10.085  -4.613   0.103
   42   HD22  ASN   5          HD22      ASN   5  10.611  -4.858  -1.491
   43    H    LYS   6           HN       LYS   6   8.419   0.494  -0.173
   44    HA   LYS   6           HA       LYS   6  10.076   1.177  -2.385
   45    HB2  LYS   6           HB2      LYS   6   7.676   1.924  -1.979
   46    HB3  LYS   6           HB1      LYS   6   8.320   3.062  -0.799
   47    HG2  LYS   6           HG2      LYS   6   9.591   3.057  -3.506
   48    HG3  LYS   6           HG1      LYS   6   7.976   3.748  -3.368
   49    HD2  LYS   6           HD2      LYS   6   9.218   4.840  -1.177
   50    HD3  LYS   6           HD1      LYS   6  10.543   4.771  -2.340
   51    HE2  LYS   6           HE2      LYS   6   7.977   6.314  -2.471
   52    HE3  LYS   6           HE1      LYS   6   9.611   6.821  -2.889
   53    HZ1  LYS   6           HZ1      LYS   6   9.381   5.067  -4.750
   54    HZ2  LYS   6           HZ2      LYS   6   8.623   6.571  -4.941
   55    HZ3  LYS   6           HZ3      LYS   6   7.714   5.215  -4.476
   56    H    ILE   7           HN       ILE   7   9.878   2.350   0.967
   57    HA   ILE   7           HA       ILE   7  11.943   4.284   0.687
   58    HB   ILE   7           HB       ILE   7  10.747   2.921   3.102
   59   HG12  ILE   7          HG12      ILE   7   9.376   4.523   1.640
   60   HG13  ILE   7          HG11      ILE   7   9.500   4.950   3.343
   61   HG21  ILE   7          HG21      ILE   7  11.891   5.192   4.082
   62   HG22  ILE   7          HG22      ILE   7  13.066   4.769   2.840
   63   HG23  ILE   7          HG23      ILE   7  12.687   3.618   4.123
   64   HD11  ILE   7          HD11      ILE   7  11.735   6.075   1.871
   65   HD12  ILE   7          HD12      ILE   7  10.530   6.899   2.858
   66   HD13  ILE   7          HD13      ILE   7  10.205   6.585   1.153
   67    H    LEU   8           HN       LEU   8  11.963   0.931   1.992
   68    HA   LEU   8           HA       LEU   8  14.714   1.018   2.673
   69    HB2  LEU   8           HB2      LEU   8  14.661  -1.410   2.802
   70    HB3  LEU   8           HB1      LEU   8  13.215  -0.745   3.551
   71    HG   LEU   8           HG       LEU   8  12.149  -1.089   1.184
   72   HD11  LEU   8          HD11      LEU   8  13.410  -2.143  -0.365
   73   HD12  LEU   8          HD12      LEU   8  13.656  -3.490   0.743
   74   HD13  LEU   8          HD13      LEU   8  14.770  -2.129   0.758
   75   HD21  LEU   8          HD21      LEU   8  12.833  -3.292   3.148
   76   HD22  LEU   8          HD22      LEU   8  11.676  -3.519   1.837
   77   HD23  LEU   8          HD23      LEU   8  11.364  -2.321   3.097
   78    H    GLY   9           HN       GLY   9  13.001   0.298  -0.303
   79    HA2  GLY   9           HA2      GLY   9  15.109  -0.773  -1.824
   80    HA3  GLY   9           HA1      GLY   9  13.763   0.164  -2.482
   81    H    LYS  10           HN       LYS  10  14.092   2.580  -1.258
   82    HA   LYS  10           HA       LYS  10  16.193   3.756  -2.800
   83    HB2  LYS  10           HB2      LYS  10  13.869   4.718  -1.753
   84    HB3  LYS  10           HB1      LYS  10  15.029   5.344  -0.584
   85    HG2  LYS  10           HG2      LYS  10  15.297   5.680  -3.584
   86    HG3  LYS  10           HG1      LYS  10  14.619   6.904  -2.510
   87    HD2  LYS  10           HD2      LYS  10  16.777   6.840  -1.204
   88    HD3  LYS  10           HD1      LYS  10  17.436   5.783  -2.453
   89    HE2  LYS  10           HE2      LYS  10  16.442   8.619  -2.813
   90    HE3  LYS  10           HE1      LYS  10  18.103   8.044  -2.972
   91    HZ1  LYS  10           HZ1      LYS  10  17.329   8.153  -5.137
   92    HZ2  LYS  10           HZ2      LYS  10  15.792   7.537  -4.744
   93    HZ3  LYS  10           HZ3      LYS  10  17.145   6.513  -4.759
   94    H    ILE  11           HN       ILE  11  15.769   2.867   0.577
   95    HA   ILE  11           HA       ILE  11  18.184   4.118   1.501
   96    HB   ILE  11           HB       ILE  11  16.349   2.065   2.735
   97   HG12  ILE  11          HG12      ILE  11  15.700   4.552   2.356
   98   HG13  ILE  11          HG11      ILE  11  15.476   3.883   3.974
   99   HG21  ILE  11          HG21      ILE  11  18.468   1.628   3.754
  100   HG22  ILE  11          HG22      ILE  11  17.629   2.712   4.864
  101   HG23  ILE  11          HG23      ILE  11  18.881   3.344   3.796
  102   HD11  ILE  11          HD11      ILE  11  17.566   4.873   4.733
  103   HD12  ILE  11          HD12      ILE  11  16.602   6.134   3.970
  104   HD13  ILE  11          HD13      ILE  11  17.950   5.413   3.095
  105    H    LEU  12           HN       LEU  12  17.442   1.002   0.095
  106    HA   LEU  12           HA       LEU  12  19.504  -0.549   1.116
  107    HB2  LEU  12           HB2      LEU  12  17.952  -0.586  -1.422
  108    HB3  LEU  12           HB1      LEU  12  19.413  -1.567  -1.355
  109    HG   LEU  12           HG       LEU  12  17.278  -1.671   0.787
  110   HD11  LEU  12          HD11      LEU  12  16.870  -3.979  -0.422
  111   HD12  LEU  12          HD12      LEU  12  17.532  -3.135  -1.822
  112   HD13  LEU  12          HD13      LEU  12  16.080  -2.525  -1.027
  113   HD21  LEU  12          HD21      LEU  12  18.526  -3.340   1.736
  114   HD22  LEU  12          HD22      LEU  12  19.850  -2.544   0.887
  115   HD23  LEU  12          HD23      LEU  12  19.072  -3.961   0.182
  116    H    ARG  13           HN       ARG  13  19.703   1.812  -1.534
  117    HA   ARG  13           HA       ARG  13  22.287   1.116  -2.419
  118    HB2  ARG  13           HB2      ARG  13  22.243   3.893  -2.605
  119    HB3  ARG  13           HB1      ARG  13  21.724   2.768  -3.858
  120    HG2  ARG  13           HG2      ARG  13  19.888   3.643  -1.642
  121    HG3  ARG  13           HG1      ARG  13  20.053   4.593  -3.113
  122    HD2  ARG  13           HD2      ARG  13  18.471   2.233  -2.669
  123    HD3  ARG  13           HD1      ARG  13  18.515   3.268  -4.086
  124    HE   ARG  13           HE       ARG  13  20.746   1.678  -4.353
  125   HH11  ARG  13          HH11      ARG  13  20.699  -0.244  -5.553
  126   HH12  ARG  13          HH12      ARG  13  19.223  -1.139  -5.704
  127   HH21  ARG  13          HH21      ARG  13  17.386   1.066  -3.728
  128   HH22  ARG  13          HH22      ARG  13  17.341  -0.387  -4.674
  129    H    LYS  14           HN       LYS  14  21.148   2.950   0.329
  130    HA   LYS  14           HA       LYS  14  23.631   4.060   1.143
  131    HB2  LYS  14           HB2      LYS  14  21.464   3.198   3.059
  132    HB3  LYS  14           HB1      LYS  14  22.572   4.561   3.198
  133    HG2  LYS  14           HG2      LYS  14  20.551   4.397   0.952
  134    HG3  LYS  14           HG1      LYS  14  20.138   5.091   2.517
  135    HD2  LYS  14           HD2      LYS  14  20.925   7.024   1.623
  136    HD3  LYS  14           HD1      LYS  14  22.514   6.356   1.994
  137    HE2  LYS  14           HE2      LYS  14  22.674   5.416  -0.272
  138    HE3  LYS  14           HE1      LYS  14  21.051   5.997  -0.641
  139    HZ1  LYS  14           HZ1      LYS  14  22.544   7.573  -1.508
  140    HZ2  LYS  14           HZ2      LYS  14  23.463   7.624  -0.076
  141    HZ3  LYS  14           HZ3      LYS  14  21.891   8.271  -0.110
  142    H    ILE  15           HN       ILE  15  21.955   1.028   1.828
  143    HA   ILE  15           HA       ILE  15  23.869   0.001   3.657
  144    HB   ILE  15           HB       ILE  15  22.063  -1.582   1.799
  145   HG12  ILE  15          HG12      ILE  15  20.793   0.131   3.087
  146   HG13  ILE  15          HG11      ILE  15  20.405  -1.505   3.615
  147   HG21  ILE  15          HG21      ILE  15  23.208  -2.238   4.537
  148   HG22  ILE  15          HG22      ILE  15  23.844  -2.856   3.013
  149   HG23  ILE  15          HG23      ILE  15  22.220  -3.300   3.536
  150   HD11  ILE  15          HD11      ILE  15  20.737  -0.285   5.631
  151   HD12  ILE  15          HD12      ILE  15  22.167   0.528   4.999
  152   HD13  ILE  15          HD13      ILE  15  22.233  -1.188   5.403
  153    H    ALA  16           HN       ALA  16  23.431  -0.255   0.145
  154    HA   ALA  16           HA       ALA  16  25.568  -2.008  -0.386
  155    HB1  ALA  16           HB1      ALA  16  24.009  -1.510  -2.156
  156    HB2  ALA  16           HB2      ALA  16  25.584  -0.895  -2.663
  157    HB3  ALA  16           HB3      ALA  16  24.359   0.216  -2.052
  158    H    ALA  17           HN       ALA  17  25.402   1.527  -0.230
  159    HA   ALA  17           HA       ALA  17  28.122   2.054  -0.764
  160    HB1  ALA  17           HB1      ALA  17  27.549   4.138   0.776
  161    HB2  ALA  17           HB2      ALA  17  25.902   3.538   0.594
  162    HB3  ALA  17           HB3      ALA  17  26.837   3.989  -0.832
  163    H    PHE  18           HN       PHE  18  26.355   1.386   2.219
  164    HA   PHE  18           HA       PHE  18  28.545   1.756   3.998
  165    HB2  PHE  18           HB2      PHE  18  26.723   1.709   5.325
  166    HB3  PHE  18           HB1      PHE  18  25.783   0.812   4.141
  167    HD1  PHE  18           HD1      PHE  18  25.312  -1.457   4.465
  168    HD2  PHE  18           HD2      PHE  18  28.472   0.367   6.727
  169    HE1  PHE  18           HE1      PHE  18  25.537  -3.520   5.808
  170    HE2  PHE  18           HE2      PHE  18  28.699  -1.708   8.081
  171    HZ   PHE  18           HZ       PHE  18  27.229  -3.652   7.613
  172    H    LYS  19           HN       LYS  19  27.213  -1.066   2.310
  173    HA   LYS  19           HA       LYS  19  28.961  -2.978   3.490
  174    HB2  LYS  19           HB2      LYS  19  27.338  -2.949   0.940
  175    HB3  LYS  19           HB1      LYS  19  28.364  -4.315   1.378
  176    HG2  LYS  19           HG2      LYS  19  27.138  -4.396   3.596
  177    HG3  LYS  19           HG1      LYS  19  26.019  -3.203   2.941
  178    HD2  LYS  19           HD2      LYS  19  24.862  -4.852   1.928
  179    HD3  LYS  19           HD1      LYS  19  26.295  -5.257   0.981
  180    HE2  LYS  19           HE2      LYS  19  25.608  -6.328   3.740
  181    HE3  LYS  19           HE1      LYS  19  25.534  -7.227   2.225
  182    HZ1  LYS  19           HZ2      LYS  19  27.789  -7.333   2.063
  183    HZ2  LYS  19           HZ3      LYS  19  27.620  -7.371   3.748
  184    HZ3  LYS  19           HZ1      LYS  19  28.056  -5.928   2.976
  185    HN1  NH2  20           H1       LYS  19  29.122  -1.237   0.341
  Start of MODEL    5
    1    H2   PRO   1           HT1      PRO   1   2.823   0.821   3.823
    2    H3   PRO   1           HT2      PRO   1   2.466   0.412   5.432
    3    HA   PRO   1           HA       PRO   1   3.504  -1.503   5.080
    4    HB2  PRO   1           HB2      PRO   1   1.795  -2.621   3.030
    5    HB3  PRO   1           HB1      PRO   1   1.823  -2.985   4.764
    6    HG2  PRO   1           HG2      PRO   1  -0.214  -1.657   3.475
    7    HG3  PRO   1           HG1      PRO   1   0.120  -1.579   5.209
    8    HD2  PRO   1           HD2      PRO   1   0.733   0.434   3.086
    9    HD3  PRO   1           HD1      PRO   1   0.334   0.686   4.799
   10    H    MET   2           HN       MET   2   2.287  -0.554   1.854
   11    HA   MET   2           HA       MET   2   4.386  -1.763   0.418
   12    HB2  MET   2           HB2      MET   2   3.602  -0.256  -1.457
   13    HB3  MET   2           HB1      MET   2   2.364  -1.284  -0.742
   14    HG2  MET   2           HG2      MET   2   2.758   1.452   0.409
   15    HG3  MET   2           HG1      MET   2   1.926   1.311  -1.137
   16    HE1  MET   2           HE1      MET   2   0.285  -0.002  -1.711
   17    HE2  MET   2           HE2      MET   2  -1.227   0.044  -0.797
   18    HE3  MET   2           HE3      MET   2  -0.236  -1.412  -0.779
   19    H    ALA   3           HN       ALA   3   4.070   1.420   1.858
   20    HA   ALA   3           HA       ALA   3   6.049   2.813   0.499
   21    HB1  ALA   3           HB1      ALA   3   4.721   4.032   2.039
   22    HB2  ALA   3           HB2      ALA   3   6.351   4.054   2.711
   23    HB3  ALA   3           HB3      ALA   3   5.138   2.954   3.373
   24    H    ARG   4           HN       ARG   4   6.369   0.380   3.024
   25    HA   ARG   4           HA       ARG   4   8.989   0.823   3.820
   26    HB2  ARG   4           HB2      ARG   4   7.800  -1.908   3.297
   27    HB3  ARG   4           HB1      ARG   4   9.114  -1.502   4.402
   28    HG2  ARG   4           HG2      ARG   4   7.632  -0.251   5.825
   29    HG3  ARG   4           HG1      ARG   4   6.313  -0.378   4.669
   30    HD2  ARG   4           HD2      ARG   4   7.638  -2.744   5.995
   31    HD3  ARG   4           HD1      ARG   4   6.126  -2.021   6.544
   32    HE   ARG   4           HE       ARG   4   5.638  -2.459   3.951
   33   HH11  ARG   4          HH11      ARG   4   4.837  -4.427   3.092
   34   HH12  ARG   4          HH12      ARG   4   5.215  -5.920   3.885
   35   HH21  ARG   4          HH21      ARG   4   7.031  -4.445   6.426
   36   HH22  ARG   4          HH22      ARG   4   6.449  -5.930   5.749
   37    H    ASN   5           HN       ASN   5   7.798  -1.072   1.040
   38    HA   ASN   5           HA       ASN   5  10.236  -1.973   0.064
   39    HB2  ASN   5           HB2      ASN   5   7.722  -2.256  -0.814
   40    HB3  ASN   5           HB1      ASN   5   8.253  -1.012  -1.946
   41   HD21  ASN   5          HD21      ASN   5   7.858  -3.088  -3.412
   42   HD22  ASN   5          HD22      ASN   5   9.227  -4.058  -3.674
   43    H    LYS   6           HN       LYS   6   8.645   1.127  -0.335
   44    HA   LYS   6           HA       LYS   6  10.529   2.245  -2.157
   45    HB2  LYS   6           HB2      LYS   6   8.095   3.042  -0.978
   46    HB3  LYS   6           HB1      LYS   6   9.281   4.238  -0.463
   47    HG2  LYS   6           HG2      LYS   6   9.063   3.337  -3.343
   48    HG3  LYS   6           HG1      LYS   6   8.097   4.671  -2.710
   49    HD2  LYS   6           HD2      LYS   6  11.081   4.625  -2.292
   50    HD3  LYS   6           HD1      LYS   6  10.404   5.207  -3.812
   51    HE2  LYS   6           HE2      LYS   6   8.879   6.691  -2.341
   52    HE3  LYS   6           HE1      LYS   6  10.003   6.319  -1.032
   53    HZ1  LYS   6           HZ1      LYS   6  11.138   8.051  -1.828
   54    HZ2  LYS   6           HZ2      LYS   6  10.341   8.033  -3.323
   55    HZ3  LYS   6           HZ3      LYS   6  11.657   6.996  -3.049
   56    H    ILE   7           HN       ILE   7  10.114   2.466   1.367
   57    HA   ILE   7           HA       ILE   7  12.357   4.155   1.793
   58    HB   ILE   7           HB       ILE   7  11.094   2.215   3.745
   59   HG12  ILE   7          HG12      ILE   7   9.511   3.842   2.540
   60   HG13  ILE   7          HG11      ILE   7   9.526   3.914   4.301
   61   HG21  ILE   7          HG21      ILE   7  13.081   3.040   4.712
   62   HG22  ILE   7          HG22      ILE   7  11.834   4.123   5.326
   63   HG23  ILE   7          HG23      ILE   7  12.870   4.638   3.996
   64   HD11  ILE   7          HD11      ILE   7  11.026   5.766   2.430
   65   HD12  ILE   7          HD12      ILE   7  11.133   5.804   4.189
   66   HD13  ILE   7          HD13      ILE   7   9.609   6.174   3.391
   67    H    LEU   8           HN       LEU   8  11.976   0.601   2.075
   68    HA   LEU   8           HA       LEU   8  14.680   0.203   2.875
   69    HB2  LEU   8           HB2      LEU   8  14.322  -2.152   2.468
   70    HB3  LEU   8           HB1      LEU   8  12.903  -1.484   3.263
   71    HG   LEU   8           HG       LEU   8  12.073  -1.163   0.753
   72   HD11  LEU   8          HD11      LEU   8  14.467  -2.808   0.530
   73   HD12  LEU   8          HD12      LEU   8  13.504  -2.066  -0.747
   74   HD13  LEU   8          HD13      LEU   8  13.050  -3.644  -0.104
   75   HD21  LEU   8          HD21      LEU   8  10.826  -2.480   2.322
   76   HD22  LEU   8          HD22      LEU   8  12.091  -3.703   2.406
   77   HD23  LEU   8          HD23      LEU   8  11.120  -3.541   0.944
   78    H    GLY   9           HN       GLY   9  13.051   0.306  -0.248
   79    HA2  GLY   9           HA2      GLY   9  15.199  -0.605  -1.843
   80    HA3  GLY   9           HA1      GLY   9  13.902   0.456  -2.388
   81    H    LYS  10           HN       LYS  10  14.202   2.650  -0.827
   82    HA   LYS  10           HA       LYS  10  16.264   4.073  -2.099
   83    HB2  LYS  10           HB2      LYS  10  14.425   5.342  -1.293
   84    HB3  LYS  10           HB1      LYS  10  14.546   4.650   0.322
   85    HG2  LYS  10           HG2      LYS  10  15.424   6.921   0.361
   86    HG3  LYS  10           HG1      LYS  10  16.755   5.790   0.605
   87    HD2  LYS  10           HD2      LYS  10  17.527   6.054  -1.643
   88    HD3  LYS  10           HD1      LYS  10  16.034   6.855  -2.136
   89    HE2  LYS  10           HE2      LYS  10  18.390   8.113  -1.309
   90    HE3  LYS  10           HE1      LYS  10  16.817   8.874  -1.498
   91    HZ1  LYS  10           HZ1      LYS  10  18.012   9.057   0.746
   92    HZ2  LYS  10           HZ2      LYS  10  17.497   7.463   1.001
   93    HZ3  LYS  10           HZ3      LYS  10  16.357   8.696   0.749
   94    H    ILE  11           HN       ILE  11  16.077   2.573   1.104
   95    HA   ILE  11           HA       ILE  11  18.688   3.498   1.881
   96    HB   ILE  11           HB       ILE  11  16.886   1.392   3.095
   97   HG12  ILE  11          HG12      ILE  11  16.376   4.055   2.906
   98   HG13  ILE  11          HG11      ILE  11  15.845   3.063   4.257
   99   HG21  ILE  11          HG21      ILE  11  19.433   2.709   4.065
  100   HG22  ILE  11          HG22      ILE  11  19.100   0.985   3.894
  101   HG23  ILE  11          HG23      ILE  11  18.295   1.917   5.156
  102   HD11  ILE  11          HD11      ILE  11  18.531   4.452   4.263
  103   HD12  ILE  11          HD12      ILE  11  17.649   3.781   5.634
  104   HD13  ILE  11          HD13      ILE  11  17.067   5.245   4.842
  105    H    LEU  12           HN       LEU  12  17.403   0.629   0.325
  106    HA   LEU  12           HA       LEU  12  19.442  -1.172   0.899
  107    HB2  LEU  12           HB2      LEU  12  17.415  -0.921  -1.237
  108    HB3  LEU  12           HB1      LEU  12  18.818  -1.912  -1.636
  109    HG   LEU  12           HG       LEU  12  17.185  -2.245   0.898
  110   HD11  LEU  12          HD11      LEU  12  15.913  -2.712  -1.227
  111   HD12  LEU  12          HD12      LEU  12  16.093  -4.105  -0.162
  112   HD13  LEU  12          HD13      LEU  12  17.109  -3.959  -1.595
  113   HD21  LEU  12          HD21      LEU  12  19.479  -3.726  -0.388
  114   HD22  LEU  12          HD22      LEU  12  18.362  -4.571   0.679
  115   HD23  LEU  12          HD23      LEU  12  19.302  -3.213   1.290
  116    H    ARG  13           HN       ARG  13  19.276   1.118  -1.812
  117    HA   ARG  13           HA       ARG  13  21.703   0.368  -3.019
  118    HB2  ARG  13           HB2      ARG  13  21.229   3.229  -3.220
  119    HB3  ARG  13           HB1      ARG  13  21.176   2.004  -4.483
  120    HG2  ARG  13           HG2      ARG  13  18.923   2.500  -2.504
  121    HG3  ARG  13           HG1      ARG  13  18.984   3.191  -4.120
  122    HD2  ARG  13           HD2      ARG  13  18.315   0.443  -3.285
  123    HD3  ARG  13           HD1      ARG  13  17.833   1.329  -4.723
  124    HE   ARG  13           HE       ARG  13  20.596   0.311  -4.600
  125   HH11  ARG  13          HH11      ARG  13  21.140  -1.014  -6.366
  126   HH12  ARG  13          HH12      ARG  13  19.904  -1.559  -7.454
  127   HH21  ARG  13          HH21      ARG  13  17.338   0.042  -5.779
  128   HH22  ARG  13          HH22      ARG  13  17.768  -0.947  -7.130
  129    H    LYS  14           HN       LYS  14  20.984   2.270  -0.211
  130    HA   LYS  14           HA       LYS  14  23.544   3.545   0.013
  131    HB2  LYS  14           HB2      LYS  14  21.690   3.050   2.333
  132    HB3  LYS  14           HB1      LYS  14  22.775   4.414   2.055
  133    HG2  LYS  14           HG2      LYS  14  20.315   3.782   0.389
  134    HG3  LYS  14           HG1      LYS  14  20.387   5.010   1.648
  135    HD2  LYS  14           HD2      LYS  14  21.760   6.414   0.399
  136    HD3  LYS  14           HD1      LYS  14  22.423   5.090  -0.555
  137    HE2  LYS  14           HE2      LYS  14  20.163   4.823  -1.632
  138    HE3  LYS  14           HE1      LYS  14  19.648   6.284  -0.794
  139    HZ1  LYS  14           HZ1      LYS  14  21.213   7.567  -1.950
  140    HZ2  LYS  14           HZ2      LYS  14  20.508   6.573  -3.132
  141    HZ3  LYS  14           HZ3      LYS  14  22.046   6.208  -2.519
  142    H    ILE  15           HN       ILE  15  22.092   0.581   1.244
  143    HA   ILE  15           HA       ILE  15  23.988  -0.126   3.158
  144    HB   ILE  15           HB       ILE  15  22.555  -1.978   1.229
  145   HG12  ILE  15          HG12      ILE  15  21.005  -0.477   2.473
  146   HG13  ILE  15          HG11      ILE  15  20.850  -2.147   3.009
  147   HG21  ILE  15          HG21      ILE  15  22.929  -3.698   2.895
  148   HG22  ILE  15          HG22      ILE  15  23.620  -2.529   4.020
  149   HG23  ILE  15          HG23      ILE  15  24.488  -2.954   2.546
  150   HD11  ILE  15          HD11      ILE  15  22.043   0.196   4.445
  151   HD12  ILE  15          HD12      ILE  15  22.716  -1.403   4.752
  152   HD13  ILE  15          HD13      ILE  15  21.014  -1.092   5.068
  153    H    ALA  16           HN       ALA  16  24.008  -0.629  -0.359
  154    HA   ALA  16           HA       ALA  16  26.385  -2.111  -0.549
  155    HB1  ALA  16           HB1      ALA  16  24.951  -1.879  -2.479
  156    HB2  ALA  16           HB2      ALA  16  26.513  -1.165  -2.879
  157    HB3  ALA  16           HB3      ALA  16  25.146  -0.126  -2.473
  158    H    ALA  17           HN       ALA  17  25.809   1.372  -0.457
  159    HA   ALA  17           HA       ALA  17  28.604   2.037  -0.731
  160    HB1  ALA  17           HB1      ALA  17  27.742   4.050  -1.225
  161    HB2  ALA  17           HB2      ALA  17  27.080   4.185   0.403
  162    HB3  ALA  17           HB3      ALA  17  26.128   3.433  -0.873
  163    H    PHE  18           HN       PHE  18  26.243   1.805   1.870
  164    HA   PHE  18           HA       PHE  18  27.888   2.830   3.934
  165    HB2  PHE  18           HB2      PHE  18  25.728   2.808   4.659
  166    HB3  PHE  18           HB1      PHE  18  25.316   1.387   3.711
  167    HD1  PHE  18           HD1      PHE  18  25.324  -0.788   4.672
  168    HD2  PHE  18           HD2      PHE  18  27.011   2.518   6.829
  169    HE1  PHE  18           HE1      PHE  18  25.516  -2.204   6.701
  170    HE2  PHE  18           HE2      PHE  18  27.205   1.104   8.852
  171    HZ   PHE  18           HZ       PHE  18  26.464  -1.255   8.790
  172    H    LYS  19           HN       LYS  19  27.269  -0.485   2.805
  173    HA   LYS  19           HA       LYS  19  29.769  -1.321   4.136
  174    HB2  LYS  19           HB2      LYS  19  27.040  -2.508   4.416
  175    HB3  LYS  19           HB1      LYS  19  28.421  -3.601   4.377
  176    HG2  LYS  19           HG2      LYS  19  28.358  -1.193   6.202
  177    HG3  LYS  19           HG1      LYS  19  27.683  -2.746   6.687
  178    HD2  LYS  19           HD2      LYS  19  29.867  -3.826   6.296
  179    HD3  LYS  19           HD1      LYS  19  30.544  -2.274   5.794
  180    HE2  LYS  19           HE2      LYS  19  29.236  -2.658   8.483
  181    HE3  LYS  19           HE1      LYS  19  30.955  -2.946   8.232
  182    HZ1  LYS  19           HZ2      LYS  19  31.374  -0.759   8.017
  183    HZ2  LYS  19           HZ3      LYS  19  29.930  -0.577   8.884
  184    HZ3  LYS  19           HZ1      LYS  19  29.927  -0.432   7.198
  185    HN1  NH2  20           H1       LYS  19  30.192  -0.770   1.635
  Start of MODEL    6
    1    H2   PRO   1           HT1      PRO   1   0.787  -0.365   0.674
    2    H3   PRO   1           HT2      PRO   1  -0.248   0.832   1.285
    3    HA   PRO   1           HA       PRO   1   1.523   2.074   1.643
    4    HB2  PRO   1           HB2      PRO   1   2.919   0.396   3.556
    5    HB3  PRO   1           HB1      PRO   1   1.941   1.844   3.857
    6    HG2  PRO   1           HG2      PRO   1   1.210  -0.709   4.569
    7    HG3  PRO   1           HG1      PRO   1   0.090   0.643   4.345
    8    HD2  PRO   1           HD2      PRO   1   0.664  -1.654   2.515
    9    HD3  PRO   1           HD1      PRO   1  -0.847  -0.753   2.757
   10    H    MET   2           HN       MET   2   1.897   0.653  -0.642
   11    HA   MET   2           HA       MET   2   4.090  -1.028  -0.873
   12    HB2  MET   2           HB2      MET   2   2.414   0.410  -2.647
   13    HB3  MET   2           HB1      MET   2   4.076   0.783  -3.101
   14    HG2  MET   2           HG2      MET   2   4.573  -1.673  -3.078
   15    HG3  MET   2           HG1      MET   2   2.857  -1.977  -2.798
   16    HE1  MET   2           HE1      MET   2   3.635  -3.495  -5.283
   17    HE2  MET   2           HE2      MET   2   5.144  -2.609  -5.059
   18    HE3  MET   2           HE3      MET   2   4.326  -2.561  -6.617
   19    H    ALA   3           HN       ALA   3   4.003   2.400  -0.278
   20    HA   ALA   3           HA       ALA   3   6.554   3.157  -1.129
   21    HB1  ALA   3           HB1      ALA   3   6.413   4.797   0.846
   22    HB2  ALA   3           HB2      ALA   3   4.834   4.079   1.169
   23    HB3  ALA   3           HB3      ALA   3   5.133   4.890  -0.367
   24    H    ARG   4           HN       ARG   4   5.502   1.343   1.683
   25    HA   ARG   4           HA       ARG   4   7.759   1.460   3.299
   26    HB2  ARG   4           HB2      ARG   4   5.921   0.299   4.193
   27    HB3  ARG   4           HB1      ARG   4   5.727  -0.691   2.752
   28    HG2  ARG   4           HG2      ARG   4   8.281  -1.361   3.594
   29    HG3  ARG   4           HG1      ARG   4   7.423  -1.128   5.114
   30    HD2  ARG   4           HD2      ARG   4   7.332  -3.484   4.009
   31    HD3  ARG   4           HD1      ARG   4   5.841  -2.785   4.628
   32    HE   ARG   4           HE       ARG   4   6.461  -2.354   1.785
   33   HH11  ARG   4          HH11      ARG   4   4.831  -3.015   0.379
   34   HH12  ARG   4          HH12      ARG   4   3.494  -3.959   0.966
   35   HH21  ARG   4          HH21      ARG   4   4.674  -4.062   4.240
   36   HH22  ARG   4          HH22      ARG   4   3.414  -4.558   3.160
   37    H    ASN   5           HN       ASN   5   7.075  -0.619   0.511
   38    HA   ASN   5           HA       ASN   5   9.424  -2.163   0.523
   39    HB2  ASN   5           HB2      ASN   5   7.847  -1.207  -1.884
   40    HB3  ASN   5           HB1      ASN   5   8.947  -2.579  -1.843
   41   HD21  ASN   5          HD21      ASN   5   7.811  -4.518  -1.699
   42   HD22  ASN   5          HD22      ASN   5   6.369  -4.738  -0.829
   43    H    LYS   6           HN       LYS   6   8.668   0.960  -0.943
   44    HA   LYS   6           HA       LYS   6  11.221   1.317  -2.151
   45    HB2  LYS   6           HB2      LYS   6   8.761   2.799  -1.946
   46    HB3  LYS   6           HB1      LYS   6  10.117   3.856  -1.560
   47    HG2  LYS   6           HG2      LYS   6   9.860   2.135  -4.048
   48    HG3  LYS   6           HG1      LYS   6   9.677   3.888  -3.977
   49    HD2  LYS   6           HD2      LYS   6  12.096   3.767  -2.879
   50    HD3  LYS   6           HD1      LYS   6  12.166   2.227  -3.737
   51    HE2  LYS   6           HE2      LYS   6  13.071   3.972  -5.169
   52    HE3  LYS   6           HE1      LYS   6  11.540   3.415  -5.841
   53    HZ1  LYS   6           HZ1      LYS   6  11.069   5.502  -4.007
   54    HZ2  LYS   6           HZ2      LYS   6  10.732   5.453  -5.670
   55    HZ3  LYS   6           HZ3      LYS   6  12.244   6.000  -5.120
   56    H    ILE   7           HN       ILE   7   9.800   2.272   0.968
   57    HA   ILE   7           HA       ILE   7  11.897   3.916   1.851
   58    HB   ILE   7           HB       ILE   7   9.981   2.168   3.411
   59   HG12  ILE   7          HG12      ILE   7   9.127   4.092   1.949
   60   HG13  ILE   7          HG11      ILE   7   8.673   4.148   3.651
   61   HG21  ILE   7          HG21      ILE   7  11.974   4.254   4.336
   62   HG22  ILE   7          HG22      ILE   7  11.825   2.586   4.887
   63   HG23  ILE   7          HG23      ILE   7  10.587   3.767   5.310
   64   HD11  ILE   7          HD11      ILE   7  10.870   5.732   2.285
   65   HD12  ILE   7          HD12      ILE   7  10.684   5.646   4.035
   66   HD13  ILE   7          HD13      ILE   7   9.411   6.361   3.052
   67    H    LEU   8           HN       LEU   8  11.409   0.400   2.352
   68    HA   LEU   8           HA       LEU   8  13.887   0.120   3.749
   69    HB2  LEU   8           HB2      LEU   8  13.571  -2.327   3.430
   70    HB3  LEU   8           HB1      LEU   8  12.161  -1.540   4.129
   71    HG   LEU   8           HG       LEU   8  11.431  -1.363   1.569
   72   HD11  LEU   8          HD11      LEU   8  12.612  -2.638   0.123
   73   HD12  LEU   8          HD12      LEU   8  12.500  -4.034   1.193
   74   HD13  LEU   8          HD13      LEU   8  13.807  -2.871   1.398
   75   HD21  LEU   8          HD21      LEU   8  10.194  -3.474   1.882
   76   HD22  LEU   8          HD22      LEU   8  10.209  -2.544   3.378
   77   HD23  LEU   8          HD23      LEU   8  11.286  -3.925   3.189
   78    H    GLY   9           HN       GLY   9  12.864  -0.285   0.402
   79    HA2  GLY   9           HA2      GLY   9  15.167  -1.437  -0.677
   80    HA3  GLY   9           HA1      GLY   9  14.078  -0.364  -1.553
   81    H    LYS  10           HN       LYS  10  14.408   1.947   0.020
   82    HA   LYS  10           HA       LYS  10  16.739   3.063  -1.174
   83    HB2  LYS  10           HB2      LYS  10  14.436   4.102  -0.117
   84    HB3  LYS  10           HB1      LYS  10  15.602   4.499   1.145
   85    HG2  LYS  10           HG2      LYS  10  16.733   5.021  -1.473
   86    HG3  LYS  10           HG1      LYS  10  15.200   5.865  -1.290
   87    HD2  LYS  10           HD2      LYS  10  16.978   6.015   1.073
   88    HD3  LYS  10           HD1      LYS  10  17.596   6.814  -0.371
   89    HE2  LYS  10           HE2      LYS  10  16.096   8.219   1.209
   90    HE3  LYS  10           HE1      LYS  10  15.741   8.269  -0.517
   91    HZ1  LYS  10           HZ1      LYS  10  13.850   7.067  -0.268
   92    HZ2  LYS  10           HZ2      LYS  10  13.881   7.786   1.268
   93    HZ3  LYS  10           HZ3      LYS  10  14.426   6.193   1.066
   94    H    ILE  11           HN       ILE  11  15.964   1.925   2.064
   95    HA   ILE  11           HA       ILE  11  18.251   2.831   3.407
   96    HB   ILE  11           HB       ILE  11  16.481   0.422   3.873
   97   HG12  ILE  11          HG12      ILE  11  15.508   2.727   4.103
   98   HG13  ILE  11          HG11      ILE  11  15.505   1.811   5.605
   99   HG21  ILE  11          HG21      ILE  11  18.271  -0.295   5.123
  100   HG22  ILE  11          HG22      ILE  11  17.599   0.847   6.286
  101   HG23  ILE  11          HG23      ILE  11  18.956   1.323   5.267
  102   HD11  ILE  11          HD11      ILE  11  17.333   4.080   4.806
  103   HD12  ILE  11          HD12      ILE  11  17.776   2.957   6.094
  104   HD13  ILE  11          HD13      ILE  11  16.319   3.939   6.242
  105    H    LEU  12           HN       LEU  12  17.709  -0.088   1.479
  106    HA   LEU  12           HA       LEU  12  20.068  -1.443   2.126
  107    HB2  LEU  12           HB2      LEU  12  18.664  -1.417  -0.549
  108    HB3  LEU  12           HB1      LEU  12  19.783  -2.649   0.028
  109    HG   LEU  12           HG       LEU  12  17.147  -1.958   1.369
  110   HD11  LEU  12          HD11      LEU  12  16.364  -4.099   0.492
  111   HD12  LEU  12          HD12      LEU  12  17.930  -4.391  -0.265
  112   HD13  LEU  12          HD13      LEU  12  16.896  -3.084  -0.845
  113   HD21  LEU  12          HD21      LEU  12  18.609  -2.813   3.038
  114   HD22  LEU  12          HD22      LEU  12  19.334  -3.968   1.917
  115   HD23  LEU  12          HD23      LEU  12  17.689  -4.220   2.495
  116    H    ARG  13           HN       ARG  13  19.449   1.036  -0.271
  117    HA   ARG  13           HA       ARG  13  21.891   0.957  -1.630
  118    HB2  ARG  13           HB2      ARG  13  20.490   3.558  -1.095
  119    HB3  ARG  13           HB1      ARG  13  21.258   2.995  -2.577
  120    HG2  ARG  13           HG2      ARG  13  18.674   1.954  -1.378
  121    HG3  ARG  13           HG1      ARG  13  18.828   2.909  -2.853
  122    HD2  ARG  13           HD2      ARG  13  19.352   0.027  -2.395
  123    HD3  ARG  13           HD1      ARG  13  18.774   0.842  -3.839
  124    HE   ARG  13           HE       ARG  13  21.462   1.557  -3.495
  125   HH11  ARG  13          HH11      ARG  13  23.085   0.451  -4.631
  126   HH12  ARG  13          HH12      ARG  13  22.779  -1.133  -5.264
  127   HH21  ARG  13          HH21      ARG  13  19.513  -1.253  -4.058
  128   HH22  ARG  13          HH22      ARG  13  20.739  -2.097  -4.947
  129    H    LYS  14           HN       LYS  14  20.989   2.464   1.428
  130    HA   LYS  14           HA       LYS  14  23.272   4.087   1.776
  131    HB2  LYS  14           HB2      LYS  14  21.910   2.606   4.035
  132    HB3  LYS  14           HB1      LYS  14  22.706   4.178   4.085
  133    HG2  LYS  14           HG2      LYS  14  20.174   3.569   2.525
  134    HG3  LYS  14           HG1      LYS  14  20.220   4.372   4.092
  135    HD2  LYS  14           HD2      LYS  14  20.500   6.339   3.027
  136    HD3  LYS  14           HD1      LYS  14  22.068   5.768   2.464
  137    HE2  LYS  14           HE2      LYS  14  21.003   4.745   0.489
  138    HE3  LYS  14           HE1      LYS  14  19.427   5.288   1.056
  139    HZ1  LYS  14           HZ1      LYS  14  20.347   7.587   1.001
  140    HZ2  LYS  14           HZ2      LYS  14  20.183   6.858  -0.520
  141    HZ3  LYS  14           HZ3      LYS  14  21.710   6.970   0.213
  142    H    ILE  15           HN       ILE  15  22.592   0.728   2.588
  143    HA   ILE  15           HA       ILE  15  25.199   0.205   3.679
  144    HB   ILE  15           HB       ILE  15  23.224  -1.826   2.609
  145   HG12  ILE  15          HG12      ILE  15  22.073  -0.257   4.155
  146   HG13  ILE  15          HG11      ILE  15  22.244  -1.862   4.861
  147   HG21  ILE  15          HG21      ILE  15  25.721  -1.911   4.142
  148   HG22  ILE  15          HG22      ILE  15  24.887  -3.197   3.274
  149   HG23  ILE  15          HG23      ILE  15  24.402  -2.787   4.918
  150   HD11  ILE  15          HD11      ILE  15  24.596  -0.557   5.598
  151   HD12  ILE  15          HD12      ILE  15  23.204  -0.861   6.635
  152   HD13  ILE  15          HD13      ILE  15  23.347   0.672   5.778
  153    H    ALA  16           HN       ALA  16  23.562  -0.547   0.611
  154    HA   ALA  16           HA       ALA  16  25.677  -1.884  -0.656
  155    HB1  ALA  16           HB1      ALA  16  23.170  -1.414  -1.375
  156    HB2  ALA  16           HB2      ALA  16  24.414  -1.740  -2.580
  157    HB3  ALA  16           HB3      ALA  16  23.914  -0.079  -2.258
  158    H    ALA  17           HN       ALA  17  24.902   1.577  -0.539
  159    HA   ALA  17           HA       ALA  17  26.970   2.404  -2.297
  160    HB1  ALA  17           HB1      ALA  17  25.110   3.893  -1.770
  161    HB2  ALA  17           HB2      ALA  17  26.623   4.645  -1.270
  162    HB3  ALA  17           HB3      ALA  17  25.569   3.908  -0.066
  163    H    PHE  18           HN       PHE  18  26.789   1.962   1.199
  164    HA   PHE  18           HA       PHE  18  29.441   2.952   1.706
  165    HB2  PHE  18           HB2      PHE  18  28.310   3.153   3.660
  166    HB3  PHE  18           HB1      PHE  18  27.200   1.847   3.268
  167    HD1  PHE  18           HD1      PHE  18  27.297  -0.031   4.610
  168    HD2  PHE  18           HD2      PHE  18  30.868   2.275   4.008
  169    HE1  PHE  18           HE1      PHE  18  28.531  -1.544   6.138
  170    HE2  PHE  18           HE2      PHE  18  32.106   0.764   5.532
  171    HZ   PHE  18           HZ       PHE  18  30.936  -1.148   6.596
  172    H    LYS  19           HN       LYS  19  27.963  -0.292   1.573
  173    HA   LYS  19           HA       LYS  19  30.486  -1.637   1.960
  174    HB2  LYS  19           HB2      LYS  19  27.758  -2.602   1.075
  175    HB3  LYS  19           HB1      LYS  19  29.147  -3.669   1.277
  176    HG2  LYS  19           HG2      LYS  19  29.365  -2.746   3.647
  177    HG3  LYS  19           HG1      LYS  19  27.787  -1.999   3.410
  178    HD2  LYS  19           HD2      LYS  19  26.793  -3.945   3.932
  179    HD3  LYS  19           HD1      LYS  19  27.586  -4.708   2.553
  180    HE2  LYS  19           HE2      LYS  19  28.732  -4.419   5.350
  181    HE3  LYS  19           HE1      LYS  19  28.194  -5.918   4.594
  182    HZ1  LYS  19           HZ2      LYS  19  30.708  -4.667   4.409
  183    HZ2  LYS  19           HZ3      LYS  19  30.020  -4.701   2.858
  184    HZ3  LYS  19           HZ1      LYS  19  30.209  -6.142   3.731
  185    HN1  NH2  20           H1       LYS  19  29.422   0.108  -0.665
  Start of MODEL    7
    1    H2   PRO   1           HT1      PRO   1   2.203  -0.005   2.141
    2    H3   PRO   1           HT2      PRO   1   1.482  -0.118   3.672
    3    HA   PRO   1           HA       PRO   1   3.110  -1.474   4.260
    4    HB2  PRO   1           HB2      PRO   1   2.638  -3.628   2.370
    5    HB3  PRO   1           HB1      PRO   1   2.227  -3.559   4.093
    6    HG2  PRO   1           HG2      PRO   1   0.389  -3.506   2.069
    7    HG3  PRO   1           HG1      PRO   1   0.111  -2.863   3.696
    8    HD2  PRO   1           HD2      PRO   1   0.707  -1.381   1.156
    9    HD3  PRO   1           HD1      PRO   1  -0.287  -0.892   2.544
   10    H    MET   2           HN       MET   2   2.855  -1.907   0.724
   11    HA   MET   2           HA       MET   2   5.536  -2.494   0.243
   12    HB2  MET   2           HB2      MET   2   3.653  -1.009  -1.605
   13    HB3  MET   2           HB1      MET   2   5.095  -1.912  -2.073
   14    HG2  MET   2           HG2      MET   2   3.409  -3.490  -2.447
   15    HG3  MET   2           HG1      MET   2   3.931  -3.901  -0.816
   16    HE1  MET   2           HE1      MET   2   1.976  -1.734  -2.933
   17    HE2  MET   2           HE2      MET   2   0.738  -0.985  -1.932
   18    HE3  MET   2           HE3      MET   2   0.402  -2.515  -2.737
   19    H    ALA   3           HN       ALA   3   3.955   0.581   0.744
   20    HA   ALA   3           HA       ALA   3   5.848   2.324  -0.332
   21    HB1  ALA   3           HB1      ALA   3   5.035   3.727   1.822
   22    HB2  ALA   3           HB2      ALA   3   3.773   2.496   1.779
   23    HB3  ALA   3           HB3      ALA   3   4.044   3.529   0.376
   24    H    ARG   4           HN       ARG   4   5.728   0.784   2.866
   25    HA   ARG   4           HA       ARG   4   8.007   2.053   3.944
   26    HB2  ARG   4           HB2      ARG   4   6.234   0.510   5.082
   27    HB3  ARG   4           HB1      ARG   4   7.322  -0.795   4.603
   28    HG2  ARG   4           HG2      ARG   4   9.194   0.443   5.716
   29    HG3  ARG   4           HG1      ARG   4   8.019   1.615   6.312
   30    HD2  ARG   4           HD2      ARG   4   8.562  -1.159   7.203
   31    HD3  ARG   4           HD1      ARG   4   7.981   0.222   8.126
   32    HE   ARG   4           HE       ARG   4   6.015  -0.793   6.275
   33   HH11  ARG   4          HH11      ARG   4   4.179  -1.760   7.205
   34   HH12  ARG   4          HH12      ARG   4   4.204  -2.261   8.866
   35   HH21  ARG   4          HH21      ARG   4   7.487  -1.184   9.387
   36   HH22  ARG   4          HH22      ARG   4   6.103  -1.935  10.112
   37    H    ASN   5           HN       ASN   5   7.600  -0.869   2.004
   38    HA   ASN   5           HA       ASN   5  10.325  -1.673   2.073
   39    HB2  ASN   5           HB2      ASN   5   8.363  -3.093   1.328
   40    HB3  ASN   5           HB1      ASN   5   8.388  -2.205  -0.190
   41   HD21  ASN   5          HD21      ASN   5  11.498  -2.065   0.241
   42   HD22  ASN   5          HD22      ASN   5  12.023  -3.580  -0.318
   43    H    LYS   6           HN       LYS   6   8.436   0.360  -0.137
   44    HA   LYS   6           HA       LYS   6  10.418   0.759  -2.072
   45    HB2  LYS   6           HB2      LYS   6   7.832   1.684  -1.647
   46    HB3  LYS   6           HB1      LYS   6   8.812   3.149  -1.581
   47    HG2  LYS   6           HG2      LYS   6   8.800   1.098  -3.821
   48    HG3  LYS   6           HG1      LYS   6   8.120   2.722  -3.890
   49    HD2  LYS   6           HD2      LYS   6  10.431   3.619  -3.391
   50    HD3  LYS   6           HD1      LYS   6  11.042   1.977  -3.597
   51    HE2  LYS   6           HE2      LYS   6  10.261   3.938  -5.626
   52    HE3  LYS   6           HE1      LYS   6  11.230   2.476  -5.802
   53    HZ1  LYS   6           HZ1      LYS   6   9.111   1.197  -5.761
   54    HZ2  LYS   6           HZ2      LYS   6   9.261   2.231  -7.098
   55    HZ3  LYS   6           HZ3      LYS   6   8.267   2.666  -5.795
   56    H    ILE   7           HN       ILE   7   9.693   2.681   0.857
   57    HA   ILE   7           HA       ILE   7  11.843   4.510   0.415
   58    HB   ILE   7           HB       ILE   7  11.494   5.167   2.794
   59   HG12  ILE   7          HG12      ILE   7   9.460   2.917   2.726
   60   HG13  ILE   7          HG11      ILE   7  10.929   2.948   3.695
   61   HG21  ILE   7          HG21      ILE   7  10.111   6.229   1.111
   62   HG22  ILE   7          HG22      ILE   7   9.076   5.849   2.488
   63   HG23  ILE   7          HG23      ILE   7   9.033   4.833   1.045
   64   HD11  ILE   7          HD11      ILE   7   9.587   3.818   5.305
   65   HD12  ILE   7          HD12      ILE   7   8.349   4.299   4.142
   66   HD13  ILE   7          HD13      ILE   7   9.762   5.323   4.402
   67    H    LEU   8           HN       LEU   8  11.518   1.405   2.012
   68    HA   LEU   8           HA       LEU   8  13.971   1.396   3.415
   69    HB2  LEU   8           HB2      LEU   8  12.537  -0.354   4.014
   70    HB3  LEU   8           HB1      LEU   8  12.162  -0.757   2.343
   71    HG   LEU   8           HG       LEU   8  14.491  -1.600   2.039
   72   HD11  LEU   8          HD11      LEU   8  14.679  -0.907   4.986
   73   HD12  LEU   8          HD12      LEU   8  15.645  -0.230   3.676
   74   HD13  LEU   8          HD13      LEU   8  15.849  -1.917   4.139
   75   HD21  LEU   8          HD21      LEU   8  12.992  -2.773   4.406
   76   HD22  LEU   8          HD22      LEU   8  14.241  -3.608   3.483
   77   HD23  LEU   8          HD23      LEU   8  12.719  -3.166   2.711
   78    H    GLY   9           HN       GLY   9  13.088   0.375   0.130
   79    HA2  GLY   9           HA2      GLY   9  15.517  -0.650  -0.741
   80    HA3  GLY   9           HA1      GLY   9  14.371   0.194  -1.781
   81    H    LYS  10           HN       LYS  10  14.492   2.673  -0.319
   82    HA   LYS  10           HA       LYS  10  16.567   3.979  -1.694
   83    HB2  LYS  10           HB2      LYS  10  14.489   5.058  -0.778
   84    HB3  LYS  10           HB1      LYS  10  15.205   4.953   0.828
   85    HG2  LYS  10           HG2      LYS  10  16.992   6.112  -1.206
   86    HG3  LYS  10           HG1      LYS  10  15.540   7.065  -0.900
   87    HD2  LYS  10           HD2      LYS  10  17.241   6.009   1.371
   88    HD3  LYS  10           HD1      LYS  10  17.601   7.549   0.592
   89    HE2  LYS  10           HE2      LYS  10  15.026   6.774   1.991
   90    HE3  LYS  10           HE1      LYS  10  16.197   7.980   2.526
   91    HZ1  LYS  10           HZ1      LYS  10  14.633   9.264   1.488
   92    HZ2  LYS  10           HZ2      LYS  10  14.275   8.097   0.313
   93    HZ3  LYS  10           HZ3      LYS  10  15.712   9.001   0.207
   94    H    ILE  11           HN       ILE  11  16.375   2.610   1.526
   95    HA   ILE  11           HA       ILE  11  18.867   3.671   2.447
   96    HB   ILE  11           HB       ILE  11  17.674   1.135   3.535
   97   HG12  ILE  11          HG12      ILE  11  15.763   2.705   3.115
   98   HG13  ILE  11          HG11      ILE  11  16.041   2.401   4.827
   99   HG21  ILE  11          HG21      ILE  11  19.748   2.786   4.307
  100   HG22  ILE  11          HG22      ILE  11  18.910   1.639   5.350
  101   HG23  ILE  11          HG23      ILE  11  18.419   3.331   5.330
  102   HD11  ILE  11          HD11      ILE  11  15.662   4.824   4.252
  103   HD12  ILE  11          HD12      ILE  11  17.176   4.786   3.354
  104   HD13  ILE  11          HD13      ILE  11  17.178   4.506   5.094
  105    H    LEU  12           HN       LEU  12  17.904   0.839   0.625
  106    HA   LEU  12           HA       LEU  12  20.138  -0.783   1.043
  107    HB2  LEU  12           HB2      LEU  12  18.173  -0.536  -1.198
  108    HB3  LEU  12           HB1      LEU  12  19.608  -1.527  -1.431
  109    HG   LEU  12           HG       LEU  12  17.565  -2.764  -0.536
  110   HD11  LEU  12          HD11      LEU  12  20.277  -3.065   0.032
  111   HD12  LEU  12          HD12      LEU  12  19.022  -4.261   0.352
  112   HD13  LEU  12          HD13      LEU  12  19.515  -3.141   1.622
  113   HD21  LEU  12          HD21      LEU  12  17.012  -2.491   1.816
  114   HD22  LEU  12          HD22      LEU  12  16.860  -0.928   1.018
  115   HD23  LEU  12          HD23      LEU  12  18.273  -1.277   2.013
  116    H    ARG  13           HN       ARG  13  19.615   1.790  -1.297
  117    HA   ARG  13           HA       ARG  13  21.977   1.488  -2.764
  118    HB2  ARG  13           HB2      ARG  13  21.136   4.277  -2.228
  119    HB3  ARG  13           HB1      ARG  13  21.399   3.463  -3.764
  120    HG2  ARG  13           HG2      ARG  13  18.980   3.119  -1.963
  121    HG3  ARG  13           HG1      ARG  13  19.012   4.012  -3.487
  122    HD2  ARG  13           HD2      ARG  13  19.013   1.066  -3.005
  123    HD3  ARG  13           HD1      ARG  13  18.191   2.000  -4.249
  124    HE   ARG  13           HE       ARG  13  21.089   1.917  -4.502
  125   HH11  ARG  13          HH11      ARG  13  21.833   0.992  -6.414
  126   HH12  ARG  13          HH12      ARG  13  20.770   0.037  -7.392
  127   HH21  ARG  13          HH21      ARG  13  18.048   0.433  -5.257
  128   HH22  ARG  13          HH22      ARG  13  18.608  -0.289  -6.729
  129    H    LYS  14           HN       LYS  14  21.320   3.120   0.277
  130    HA   LYS  14           HA       LYS  14  23.970   4.200   0.565
  131    HB2  LYS  14           HB2      LYS  14  22.268   3.664   2.959
  132    HB3  LYS  14           HB1      LYS  14  23.212   5.097   2.550
  133    HG2  LYS  14           HG2      LYS  14  20.617   4.278   1.193
  134    HG3  LYS  14           HG1      LYS  14  20.765   5.527   2.431
  135    HD2  LYS  14           HD2      LYS  14  22.088   6.925   1.029
  136    HD3  LYS  14           HD1      LYS  14  22.382   5.627  -0.128
  137    HE2  LYS  14           HE2      LYS  14  20.161   5.702  -0.953
  138    HE3  LYS  14           HE1      LYS  14  19.584   6.605   0.446
  139    HZ1  LYS  14           HZ1      LYS  14  21.472   7.633  -1.607
  140    HZ2  LYS  14           HZ2      LYS  14  20.907   8.497  -0.262
  141    HZ3  LYS  14           HZ3      LYS  14  19.830   8.028  -1.490
  142    H    ILE  15           HN       ILE  15  22.162   1.432   1.800
  143    HA   ILE  15           HA       ILE  15  24.154   0.308   3.418
  144    HB   ILE  15           HB       ILE  15  21.862  -0.908   1.867
  145   HG12  ILE  15          HG12      ILE  15  21.688   0.638   4.012
  146   HG13  ILE  15          HG11      ILE  15  20.685  -0.805   3.868
  147   HG21  ILE  15          HG21      ILE  15  22.298  -2.939   3.352
  148   HG22  ILE  15          HG22      ILE  15  23.889  -2.247   3.668
  149   HG23  ILE  15          HG23      ILE  15  23.433  -2.694   2.023
  150   HD11  ILE  15          HD11      ILE  15  22.110  -2.059   5.302
  151   HD12  ILE  15          HD12      ILE  15  21.911  -0.498   6.090
  152   HD13  ILE  15          HD13      ILE  15  23.394  -0.855   5.208
  153    H    ALA  16           HN       ALA  16  23.433  -0.091  -0.036
  154    HA   ALA  16           HA       ALA  16  25.317  -2.068  -0.647
  155    HB1  ALA  16           HB1      ALA  16  25.311  -0.917  -2.957
  156    HB2  ALA  16           HB2      ALA  16  24.136   0.195  -2.252
  157    HB3  ALA  16           HB3      ALA  16  23.770  -1.527  -2.349
  158    H    ALA  17           HN       ALA  17  25.646   1.476  -0.657
  159    HA   ALA  17           HA       ALA  17  28.375   1.505  -1.432
  160    HB1  ALA  17           HB1      ALA  17  28.380   3.820  -0.621
  161    HB2  ALA  17           HB2      ALA  17  26.851   3.548   0.215
  162    HB3  ALA  17           HB3      ALA  17  26.912   3.509  -1.546
  163    H    PHE  18           HN       PHE  18  26.721   1.491   1.682
  164    HA   PHE  18           HA       PHE  18  29.052   1.684   3.296
  165    HB2  PHE  18           HB2      PHE  18  27.101   2.208   4.443
  166    HB3  PHE  18           HB1      PHE  18  26.201   0.877   3.723
  167    HD1  PHE  18           HD1      PHE  18  26.146  -1.294   4.762
  168    HD2  PHE  18           HD2      PHE  18  28.828   1.736   6.204
  169    HE1  PHE  18           HE1      PHE  18  26.652  -2.686   6.751
  170    HE2  PHE  18           HE2      PHE  18  29.328   0.342   8.192
  171    HZ   PHE  18           HZ       PHE  18  28.245  -1.874   8.470
  172    H    LYS  19           HN       LYS  19  27.082  -1.067   2.218
  173    HA   LYS  19           HA       LYS  19  28.692  -3.066   3.454
  174    HB2  LYS  19           HB2      LYS  19  26.231  -3.087   2.363
  175    HB3  LYS  19           HB1      LYS  19  27.140  -3.733   1.001
  176    HG2  LYS  19           HG2      LYS  19  26.475  -5.622   2.312
  177    HG3  LYS  19           HG1      LYS  19  28.188  -5.381   2.652
  178    HD2  LYS  19           HD2      LYS  19  27.712  -4.304   4.745
  179    HD3  LYS  19           HD1      LYS  19  25.992  -4.199   4.370
  180    HE2  LYS  19           HE2      LYS  19  27.448  -6.849   4.575
  181    HE3  LYS  19           HE1      LYS  19  26.668  -6.083   5.959
  182    HZ1  LYS  19           HZ2      LYS  19  25.490  -7.398   3.677
  183    HZ2  LYS  19           HZ3      LYS  19  24.737  -5.937   4.110
  184    HZ3  LYS  19           HZ1      LYS  19  24.879  -7.190   5.243
  185    HN1  NH2  20           H1       LYS  19  30.748  -1.787   2.488
  Start of MODEL    8
    1    H2   PRO   1           HT1      PRO   1   2.918  -0.075   3.412
    2    H3   PRO   1           HT2      PRO   1   3.245   0.052   5.068
    3    HA   PRO   1           HA       PRO   1   5.139  -1.025   4.759
    4    HB2  PRO   1           HB2      PRO   1   4.085  -3.443   3.500
    5    HB3  PRO   1           HB1      PRO   1   4.801  -3.236   5.112
    6    HG2  PRO   1           HG2      PRO   1   2.154  -3.707   4.695
    7    HG3  PRO   1           HG1      PRO   1   2.796  -2.844   6.100
    8    HD2  PRO   1           HD2      PRO   1   1.433  -1.741   3.671
    9    HD3  PRO   1           HD1      PRO   1   1.390  -1.163   5.348
   10    H    MET   2           HN       MET   2   2.981  -1.427   1.941
   11    HA   MET   2           HA       MET   2   4.872  -2.047   0.010
   12    HB2  MET   2           HB2      MET   2   2.292  -0.496  -0.132
   13    HB3  MET   2           HB1      MET   2   3.282  -0.764  -1.568
   14    HG2  MET   2           HG2      MET   2   1.685  -2.563  -1.481
   15    HG3  MET   2           HG1      MET   2   3.243  -3.239  -1.010
   16    HE1  MET   2           HE1      MET   2   1.025  -4.633  -0.831
   17    HE2  MET   2           HE2      MET   2  -0.199  -4.425   0.421
   18    HE3  MET   2           HE3      MET   2   1.217  -5.421   0.741
   19    H    ALA   3           HN       ALA   3   3.929   1.129   1.277
   20    HA   ALA   3           HA       ALA   3   5.623   2.636  -0.461
   21    HB1  ALA   3           HB1      ALA   3   3.694   3.295   1.385
   22    HB2  ALA   3           HB2      ALA   3   4.806   4.442   0.642
   23    HB3  ALA   3           HB3      ALA   3   5.175   3.757   2.224
   24    H    ARG   4           HN       ARG   4   5.933   1.367   2.826
   25    HA   ARG   4           HA       ARG   4   8.523   2.306   3.369
   26    HB2  ARG   4           HB2      ARG   4   7.147   1.349   5.134
   27    HB3  ARG   4           HB1      ARG   4   7.128  -0.213   4.315
   28    HG2  ARG   4           HG2      ARG   4   8.770  -0.063   6.216
   29    HG3  ARG   4           HG1      ARG   4   9.502  -0.512   4.676
   30    HD2  ARG   4           HD2      ARG   4  10.757   1.252   5.984
   31    HD3  ARG   4           HD1      ARG   4  10.342   1.709   4.345
   32    HE   ARG   4           HE       ARG   4   8.758   3.216   5.216
   33   HH11  ARG   4          HH11      ARG   4   8.195   4.629   6.899
   34   HH12  ARG   4          HH12      ARG   4   8.643   4.248   8.528
   35   HH21  ARG   4          HH21      ARG   4  10.217   1.286   7.692
   36   HH22  ARG   4          HH22      ARG   4   9.818   2.377   8.969
   37    H    ASN   5           HN       ASN   5   7.371  -0.661   1.802
   38    HA   ASN   5           HA       ASN   5   9.763  -2.007   1.428
   39    HB2  ASN   5           HB2      ASN   5   7.562  -2.910   0.738
   40    HB3  ASN   5           HB1      ASN   5   7.508  -1.748  -0.586
   41   HD21  ASN   5          HD21      ASN   5   9.246  -4.584   0.650
   42   HD22  ASN   5          HD22      ASN   5   9.942  -5.010  -0.839
   43    H    LYS   6           HN       LYS   6   8.334   0.569  -0.554
   44    HA   LYS   6           HA       LYS   6  10.481   0.672  -2.422
   45    HB2  LYS   6           HB2      LYS   6   7.984   1.815  -2.314
   46    HB3  LYS   6           HB1      LYS   6   9.023   3.194  -1.960
   47    HG2  LYS   6           HG2      LYS   6   9.239   1.355  -4.369
   48    HG3  LYS   6           HG1      LYS   6   8.694   3.034  -4.376
   49    HD2  LYS   6           HD2      LYS   6  10.987   3.597  -3.332
   50    HD3  LYS   6           HD1      LYS   6  11.474   1.974  -3.824
   51    HE2  LYS   6           HE2      LYS   6  10.308   4.049  -5.705
   52    HE3  LYS   6           HE1      LYS   6  12.034   3.746  -5.510
   53    HZ1  LYS   6           HZ1      LYS   6   9.968   1.899  -6.551
   54    HZ2  LYS   6           HZ2      LYS   6  11.502   1.361  -6.064
   55    HZ3  LYS   6           HZ3      LYS   6  11.356   2.471  -7.337
   56    H    ILE   7           HN       ILE   7   9.655   2.592   0.458
   57    HA   ILE   7           HA       ILE   7  11.872   4.327   0.378
   58    HB   ILE   7           HB       ILE   7  10.266   3.301   2.736
   59   HG12  ILE   7          HG12      ILE   7  10.163   5.815   1.043
   60   HG13  ILE   7          HG11      ILE   7   8.923   4.570   1.165
   61   HG21  ILE   7          HG21      ILE   7  11.295   5.721   3.498
   62   HG22  ILE   7          HG22      ILE   7  12.638   5.058   2.573
   63   HG23  ILE   7          HG23      ILE   7  11.990   4.166   3.946
   64   HD11  ILE   7          HD11      ILE   7   9.699   6.669   3.161
   65   HD12  ILE   7          HD12      ILE   7   9.012   5.152   3.740
   66   HD13  ILE   7          HD13      ILE   7   8.092   6.172   2.635
   67    H    LEU   8           HN       LEU   8  11.454   1.096   1.749
   68    HA   LEU   8           HA       LEU   8  13.882   0.881   3.139
   69    HB2  LEU   8           HB2      LEU   8  12.350  -0.877   3.480
   70    HB3  LEU   8           HB1      LEU   8  12.103  -1.121   1.756
   71    HG   LEU   8           HG       LEU   8  14.400  -1.998   1.536
   72   HD11  LEU   8          HD11      LEU   8  15.544  -2.533   3.806
   73   HD12  LEU   8          HD12      LEU   8  14.495  -1.277   4.463
   74   HD13  LEU   8          HD13      LEU   8  15.657  -0.883   3.198
   75   HD21  LEU   8          HD21      LEU   8  14.096  -4.041   3.031
   76   HD22  LEU   8          HD22      LEU   8  12.733  -3.668   1.975
   77   HD23  LEU   8          HD23      LEU   8  12.666  -3.244   3.686
   78    H    GLY   9           HN       GLY   9  13.086   0.248  -0.262
   79    HA2  GLY   9           HA2      GLY   9  15.551  -0.735  -1.116
   80    HA3  GLY   9           HA1      GLY   9  14.437   0.183  -2.127
   81    H    LYS  10           HN       LYS  10  14.440   2.529  -0.488
   82    HA   LYS  10           HA       LYS  10  16.567   3.975  -1.624
   83    HB2  LYS  10           HB2      LYS  10  14.262   4.615  -0.230
   84    HB3  LYS  10           HB1      LYS  10  15.530   5.060   0.911
   85    HG2  LYS  10           HG2      LYS  10  15.969   5.909  -1.905
   86    HG3  LYS  10           HG1      LYS  10  14.650   6.713  -1.057
   87    HD2  LYS  10           HD2      LYS  10  17.217   6.424   0.435
   88    HD3  LYS  10           HD1      LYS  10  17.203   7.565  -0.906
   89    HE2  LYS  10           HE2      LYS  10  16.565   8.743   1.133
   90    HE3  LYS  10           HE1      LYS  10  15.167   8.636   0.067
   91    HZ1  LYS  10           HZ1      LYS  10  14.352   6.774   1.313
   92    HZ2  LYS  10           HZ2      LYS  10  14.639   8.065   2.372
   93    HZ3  LYS  10           HZ3      LYS  10  15.728   6.765   2.307
   94    H    ILE  11           HN       ILE  11  16.152   2.392   1.483
   95    HA   ILE  11           HA       ILE  11  18.612   3.329   2.616
   96    HB   ILE  11           HB       ILE  11  17.026   0.889   3.437
   97   HG12  ILE  11          HG12      ILE  11  15.521   2.875   3.261
   98   HG13  ILE  11          HG11      ILE  11  15.771   2.400   4.941
   99   HG21  ILE  11          HG21      ILE  11  18.966   2.756   4.819
  100   HG22  ILE  11          HG22      ILE  11  19.132   1.016   4.575
  101   HG23  ILE  11          HG23      ILE  11  17.928   1.639   5.704
  102   HD11  ILE  11          HD11      ILE  11  17.801   4.117   4.749
  103   HD12  ILE  11          HD12      ILE  11  16.171   4.666   5.134
  104   HD13  ILE  11          HD13      ILE  11  16.782   4.803   3.486
  105    H    LEU  12           HN       LEU  12  17.599   0.535   0.735
  106    HA   LEU  12           HA       LEU  12  19.807  -1.109   1.197
  107    HB2  LEU  12           HB2      LEU  12  17.960  -0.843  -1.164
  108    HB3  LEU  12           HB1      LEU  12  19.286  -2.008  -1.160
  109    HG   LEU  12           HG       LEU  12  17.079  -1.846   0.921
  110   HD11  LEU  12          HD11      LEU  12  17.542  -4.135  -0.971
  111   HD12  LEU  12          HD12      LEU  12  16.609  -2.734  -1.500
  112   HD13  LEU  12          HD13      LEU  12  16.073  -3.681  -0.113
  113   HD21  LEU  12          HD21      LEU  12  19.652  -3.323   0.731
  114   HD22  LEU  12          HD22      LEU  12  18.258  -4.277   1.238
  115   HD23  LEU  12          HD23      LEU  12  18.726  -2.847   2.155
  116    H    ARG  13           HN       ARG  13  19.349   1.472  -1.166
  117    HA   ARG  13           HA       ARG  13  21.777   1.145  -2.548
  118    HB2  ARG  13           HB2      ARG  13  20.900   3.937  -2.100
  119    HB3  ARG  13           HB1      ARG  13  21.234   3.097  -3.610
  120    HG2  ARG  13           HG2      ARG  13  18.731   2.752  -1.919
  121    HG3  ARG  13           HG1      ARG  13  18.839   3.704  -3.405
  122    HD2  ARG  13           HD2      ARG  13  18.741   0.752  -3.046
  123    HD3  ARG  13           HD1      ARG  13  18.068   1.752  -4.324
  124    HE   ARG  13           HE       ARG  13  20.975   1.550  -4.326
  125   HH11  ARG  13          HH11      ARG  13  21.854   0.514  -6.146
  126   HH12  ARG  13          HH12      ARG  13  20.831  -0.380  -7.220
  127   HH21  ARG  13          HH21      ARG  13  17.929   0.270  -5.421
  128   HH22  ARG  13          HH22      ARG  13  18.599  -0.507  -6.815
  129    H    LYS  14           HN       LYS  14  20.980   2.493   0.559
  130    HA   LYS  14           HA       LYS  14  23.487   3.830   1.006
  131    HB2  LYS  14           HB2      LYS  14  21.719   2.784   3.212
  132    HB3  LYS  14           HB1      LYS  14  22.727   4.227   3.192
  133    HG2  LYS  14           HG2      LYS  14  20.368   3.930   1.330
  134    HG3  LYS  14           HG1      LYS  14  20.194   4.582   2.957
  135    HD2  LYS  14           HD2      LYS  14  20.843   6.589   2.194
  136    HD3  LYS  14           HD1      LYS  14  22.426   5.904   1.854
  137    HE2  LYS  14           HE2      LYS  14  20.608   5.111  -0.234
  138    HE3  LYS  14           HE1      LYS  14  20.506   6.853  -0.015
  139    HZ1  LYS  14           HZ1      LYS  14  22.427   7.062  -1.059
  140    HZ2  LYS  14           HZ2      LYS  14  22.541   5.382  -1.251
  141    HZ3  LYS  14           HZ3      LYS  14  23.205   6.125   0.121
  142    H    ILE  15           HN       ILE  15  22.055   0.710   1.859
  143    HA   ILE  15           HA       ILE  15  24.142  -0.342   3.388
  144    HB   ILE  15           HB       ILE  15  22.314  -1.803   1.453
  145   HG12  ILE  15          HG12      ILE  15  21.209  -0.401   3.280
  146   HG13  ILE  15          HG11      ILE  15  20.828  -2.119   3.325
  147   HG21  ILE  15          HG21      ILE  15  22.853  -3.544   3.489
  148   HG22  ILE  15          HG22      ILE  15  24.391  -2.688   3.372
  149   HG23  ILE  15          HG23      ILE  15  23.734  -3.517   1.961
  150   HD11  ILE  15          HD11      ILE  15  22.624  -2.445   5.023
  151   HD12  ILE  15          HD12      ILE  15  21.355  -1.355   5.581
  152   HD13  ILE  15          HD13      ILE  15  22.893  -0.704   5.025
  153    H    ALA  16           HN       ALA  16  23.613  -0.307  -0.112
  154    HA   ALA  16           HA       ALA  16  25.857  -1.817  -0.883
  155    HB1  ALA  16           HB1      ALA  16  23.830  -0.454  -2.192
  156    HB2  ALA  16           HB2      ALA  16  25.174  -1.284  -2.970
  157    HB3  ALA  16           HB3      ALA  16  25.273   0.446  -2.645
  158    H    ALA  17           HN       ALA  17  25.446   1.677  -0.365
  159    HA   ALA  17           HA       ALA  17  28.147   2.387  -0.927
  160    HB1  ALA  17           HB1      ALA  17  26.086   3.942  -0.792
  161    HB2  ALA  17           HB2      ALA  17  27.607   4.541  -0.131
  162    HB3  ALA  17           HB3      ALA  17  26.356   3.925   0.949
  163    H    PHE  18           HN       PHE  18  26.387   1.503   1.989
  164    HA   PHE  18           HA       PHE  18  28.505   2.013   3.817
  165    HB2  PHE  18           HB2      PHE  18  26.556   1.781   4.994
  166    HB3  PHE  18           HB1      PHE  18  25.883   0.634   3.848
  167    HD1  PHE  18           HD1      PHE  18  25.339  -1.368   4.893
  168    HD2  PHE  18           HD2      PHE  18  28.976   0.644   5.981
  169    HE1  PHE  18           HE1      PHE  18  25.900  -3.219   6.444
  170    HE2  PHE  18           HE2      PHE  18  29.537  -1.208   7.521
  171    HZ   PHE  18           HZ       PHE  18  27.999  -3.136   7.764
  172    H    LYS  19           HN       LYS  19  27.396  -0.896   2.100
  173    HA   LYS  19           HA       LYS  19  29.528  -2.550   3.117
  174    HB2  LYS  19           HB2      LYS  19  27.469  -2.866   0.927
  175    HB3  LYS  19           HB1      LYS  19  28.726  -4.076   1.202
  176    HG2  LYS  19           HG2      LYS  19  27.151  -3.112   3.552
  177    HG3  LYS  19           HG1      LYS  19  26.364  -4.230   2.440
  178    HD2  LYS  19           HD2      LYS  19  28.313  -5.782   2.683
  179    HD3  LYS  19           HD1      LYS  19  28.992  -4.683   3.885
  180    HE2  LYS  19           HE2      LYS  19  26.960  -4.963   5.276
  181    HE3  LYS  19           HE1      LYS  19  26.309  -6.090   4.080
  182    HZ1  LYS  19           HZ2      LYS  19  28.569  -6.436   5.929
  183    HZ2  LYS  19           HZ3      LYS  19  28.577  -7.276   4.450
  184    HZ3  LYS  19           HZ1      LYS  19  27.308  -7.505   5.550
  185    HN1  NH2  20           H1       LYS  19  30.944  -0.423   2.246
  Start of MODEL    9
    1    H2   PRO   1           HT1      PRO   1   2.656  -1.630   3.137
    2    H3   PRO   1           HT2      PRO   1   2.668  -2.030   4.791
    3    HA   PRO   1           HA       PRO   1   4.869  -1.839   4.660
    4    HB2  PRO   1           HB2      PRO   1   5.523  -4.106   3.079
    5    HB3  PRO   1           HB1      PRO   1   5.394  -4.028   4.845
    6    HG2  PRO   1           HG2      PRO   1   3.674  -5.409   3.107
    7    HG3  PRO   1           HG1      PRO   1   3.408  -5.086   4.823
    8    HD2  PRO   1           HD2      PRO   1   2.223  -3.736   2.460
    9    HD3  PRO   1           HD1      PRO   1   1.585  -3.882   4.110
   10    H    MET   2           HN       MET   2   3.182  -1.813   1.665
   11    HA   MET   2           HA       MET   2   5.184  -1.730  -0.243
   12    HB2  MET   2           HB2      MET   2   2.647  -0.089  -0.107
   13    HB3  MET   2           HB1      MET   2   3.651  -0.268  -1.546
   14    HG2  MET   2           HG2      MET   2   1.829  -2.239  -0.240
   15    HG3  MET   2           HG1      MET   2   2.172  -1.984  -1.952
   16    HE1  MET   2           HE1      MET   2   3.632  -3.321  -3.322
   17    HE2  MET   2           HE2      MET   2   5.179  -3.978  -2.802
   18    HE3  MET   2           HE3      MET   2   4.890  -2.243  -2.694
   19    H    ALA   3           HN       ALA   3   3.976   0.946   1.771
   20    HA   ALA   3           HA       ALA   3   5.538   2.984   0.646
   21    HB1  ALA   3           HB1      ALA   3   4.269   4.094   2.130
   22    HB2  ALA   3           HB2      ALA   3   5.393   3.569   3.380
   23    HB3  ALA   3           HB3      ALA   3   3.942   2.627   3.046
   24    H    ARG   4           HN       ARG   4   6.241   0.782   3.351
   25    HA   ARG   4           HA       ARG   4   8.874   1.785   3.819
   26    HB2  ARG   4           HB2      ARG   4   7.634   0.448   5.498
   27    HB3  ARG   4           HB1      ARG   4   7.738  -0.957   4.436
   28    HG2  ARG   4           HG2      ARG   4   9.583  -1.309   5.804
   29    HG3  ARG   4           HG1      ARG   4  10.325  -0.426   4.469
   30    HD2  ARG   4           HD2      ARG   4  11.087   0.587   6.522
   31    HD3  ARG   4           HD1      ARG   4   9.951   1.701   5.772
   32    HE   ARG   4           HE       ARG   4   8.593  -0.021   7.599
   33   HH11  ARG   4          HH11      ARG   4   7.930   0.861   9.593
   34   HH12  ARG   4          HH12      ARG   4   8.634   2.339  10.158
   35   HH21  ARG   4          HH21      ARG   4  10.728   2.709   7.406
   36   HH22  ARG   4          HH22      ARG   4  10.216   3.393   8.913
   37    H    ASN   5           HN       ASN   5   7.556  -0.943   1.988
   38    HA   ASN   5           HA       ASN   5   9.899  -2.102   1.064
   39    HB2  ASN   5           HB2      ASN   5   7.522  -2.886   0.643
   40    HB3  ASN   5           HB1      ASN   5   7.450  -1.696  -0.654
   41   HD21  ASN   5          HD21      ASN   5   7.974  -2.578  -2.663
   42   HD22  ASN   5          HD22      ASN   5   9.055  -3.866  -2.902
   43    H    LYS   6           HN       LYS   6   8.098   0.644  -0.291
   44    HA   LYS   6           HA       LYS   6   9.860   1.078  -2.481
   45    HB2  LYS   6           HB2      LYS   6   7.551   2.428  -1.280
   46    HB3  LYS   6           HB1      LYS   6   8.739   3.550  -1.944
   47    HG2  LYS   6           HG2      LYS   6   7.647   1.164  -3.455
   48    HG3  LYS   6           HG1      LYS   6   6.998   2.794  -3.606
   49    HD2  LYS   6           HD2      LYS   6   9.840   2.952  -3.897
   50    HD3  LYS   6           HD1      LYS   6   9.263   1.662  -4.948
   51    HE2  LYS   6           HE2      LYS   6   9.252   3.898  -6.066
   52    HE3  LYS   6           HE1      LYS   6   7.656   3.153  -5.990
   53    HZ1  LYS   6           HZ1      LYS   6   6.933   4.913  -4.891
   54    HZ2  LYS   6           HZ2      LYS   6   8.476   5.625  -4.944
   55    HZ3  LYS   6           HZ3      LYS   6   8.035   4.624  -3.646
   56    H    ILE   7           HN       ILE   7   9.643   2.487   0.766
   57    HA   ILE   7           HA       ILE   7  11.781   4.335   0.381
   58    HB   ILE   7           HB       ILE   7  10.458   3.270   2.881
   59   HG12  ILE   7          HG12      ILE   7  10.284   5.951   1.463
   60   HG13  ILE   7          HG11      ILE   7   9.078   4.668   1.326
   61   HG21  ILE   7          HG21      ILE   7  12.840   5.000   2.504
   62   HG22  ILE   7          HG22      ILE   7  12.338   4.063   3.911
   63   HG23  ILE   7          HG23      ILE   7  11.619   5.643   3.605
   64   HD11  ILE   7          HD11      ILE   7   8.539   4.819   3.660
   65   HD12  ILE   7          HD12      ILE   7   8.557   6.468   3.041
   66   HD13  ILE   7          HD13      ILE   7   9.925   5.862   3.975
   67    H    LEU   8           HN       LEU   8  11.627   1.112   1.941
   68    HA   LEU   8           HA       LEU   8  14.311   1.124   2.817
   69    HB2  LEU   8           HB2      LEU   8  14.078  -1.153   3.283
   70    HB3  LEU   8           HB1      LEU   8  12.425  -0.557   3.392
   71    HG   LEU   8           HG       LEU   8  12.262  -1.225   0.871
   72   HD11  LEU   8          HD11      LEU   8  14.942  -2.064   1.529
   73   HD12  LEU   8          HD12      LEU   8  14.117  -2.153  -0.025
   74   HD13  LEU   8          HD13      LEU   8  13.976  -3.481   1.124
   75   HD21  LEU   8          HD21      LEU   8  12.525  -3.457   2.908
   76   HD22  LEU   8          HD22      LEU   8  11.450  -3.401   1.513
   77   HD23  LEU   8          HD23      LEU   8  11.166  -2.336   2.889
   78    H    GLY   9           HN       GLY   9  12.882   0.476  -0.315
   79    HA2  GLY   9           HA2      GLY   9  15.007  -0.814  -1.600
   80    HA3  GLY   9           HA1      GLY   9  13.875   0.277  -2.399
   81    H    LYS  10           HN       LYS  10  14.467   2.579  -0.854
   82    HA   LYS  10           HA       LYS  10  16.700   3.629  -2.270
   83    HB2  LYS  10           HB2      LYS  10  14.593   4.639  -0.639
   84    HB3  LYS  10           HB1      LYS  10  16.109   5.209   0.055
   85    HG2  LYS  10           HG2      LYS  10  15.994   5.372  -2.892
   86    HG3  LYS  10           HG1      LYS  10  14.804   6.383  -2.078
   87    HD2  LYS  10           HD2      LYS  10  17.051   6.877  -0.570
   88    HD3  LYS  10           HD1      LYS  10  17.745   6.636  -2.170
   89    HE2  LYS  10           HE2      LYS  10  17.110   9.022  -1.686
   90    HE3  LYS  10           HE1      LYS  10  16.343   8.353  -3.122
   91    HZ1  LYS  10           HZ1      LYS  10  14.318   8.344  -2.157
   92    HZ2  LYS  10           HZ2      LYS  10  14.991   9.611  -1.252
   93    HZ3  LYS  10           HZ3      LYS  10  14.918   8.047  -0.602
   94    H    ILE  11           HN       ILE  11  16.182   2.385   0.978
   95    HA   ILE  11           HA       ILE  11  18.697   3.099   2.054
   96    HB   ILE  11           HB       ILE  11  16.971   0.739   2.847
   97   HG12  ILE  11          HG12      ILE  11  15.740   2.976   2.722
   98   HG13  ILE  11          HG11      ILE  11  15.767   2.207   4.309
   99   HG21  ILE  11          HG21      ILE  11  19.173   0.731   3.894
  100   HG22  ILE  11          HG22      ILE  11  17.975   1.220   5.090
  101   HG23  ILE  11          HG23      ILE  11  19.007   2.431   4.331
  102   HD11  ILE  11          HD11      ILE  11  17.685   4.381   3.409
  103   HD12  ILE  11          HD12      ILE  11  17.629   3.638   5.009
  104   HD13  ILE  11          HD13      ILE  11  16.284   4.630   4.450
  105    H    LEU  12           HN       LEU  12  17.634   0.433   0.029
  106    HA   LEU  12           HA       LEU  12  19.721  -1.350   0.539
  107    HB2  LEU  12           HB2      LEU  12  18.263  -0.863  -2.066
  108    HB3  LEU  12           HB1      LEU  12  19.271  -2.266  -1.719
  109    HG   LEU  12           HG       LEU  12  16.764  -1.477  -0.194
  110   HD11  LEU  12          HD11      LEU  12  15.657  -3.236  -1.309
  111   HD12  LEU  12          HD12      LEU  12  17.170  -3.962  -1.850
  112   HD13  LEU  12          HD13      LEU  12  16.598  -2.466  -2.586
  113   HD21  LEU  12          HD21      LEU  12  18.097  -2.594   1.384
  114   HD22  LEU  12          HD22      LEU  12  18.827  -3.643   0.168
  115   HD23  LEU  12          HD23      LEU  12  17.161  -3.910   0.679
  116    H    ARG  13           HN       ARG  13  19.510   1.270  -1.820
  117    HA   ARG  13           HA       ARG  13  22.065   0.902  -2.946
  118    HB2  ARG  13           HB2      ARG  13  21.239   3.711  -2.681
  119    HB3  ARG  13           HB1      ARG  13  21.605   2.783  -4.126
  120    HG2  ARG  13           HG2      ARG  13  19.008   2.598  -2.560
  121    HG3  ARG  13           HG1      ARG  13  19.220   3.515  -4.049
  122    HD2  ARG  13           HD2      ARG  13  18.833   0.628  -3.668
  123    HD3  ARG  13           HD1      ARG  13  18.518   1.620  -5.085
  124    HE   ARG  13           HE       ARG  13  21.264   1.412  -4.987
  125   HH11  ARG  13          HH11      ARG  13  22.408  -0.249  -6.038
  126   HH12  ARG  13          HH12      ARG  13  21.611  -1.735  -6.432
  127   HH21  ARG  13          HH21      ARG  13  18.562  -0.771  -5.071
  128   HH22  ARG  13          HH22      ARG  13  19.437  -2.038  -5.861
  129    H    LYS  14           HN       LYS  14  20.970   2.344   0.034
  130    HA   LYS  14           HA       LYS  14  23.417   3.695   0.677
  131    HB2  LYS  14           HB2      LYS  14  21.442   2.694   2.723
  132    HB3  LYS  14           HB1      LYS  14  22.459   4.136   2.782
  133    HG2  LYS  14           HG2      LYS  14  20.258   3.741   0.736
  134    HG3  LYS  14           HG1      LYS  14  20.008   4.577   2.270
  135    HD2  LYS  14           HD2      LYS  14  20.923   6.467   1.454
  136    HD3  LYS  14           HD1      LYS  14  22.394   5.604   1.013
  137    HE2  LYS  14           HE2      LYS  14  20.961   4.753  -1.019
  138    HE3  LYS  14           HE1      LYS  14  19.957   6.153  -0.655
  139    HZ1  LYS  14           HZ1      LYS  14  22.865   6.168  -1.253
  140    HZ2  LYS  14           HZ2      LYS  14  21.979   7.533  -0.766
  141    HZ3  LYS  14           HZ3      LYS  14  21.624   6.764  -2.239
  142    H    ILE  15           HN       ILE  15  22.064   0.490   1.279
  143    HA   ILE  15           HA       ILE  15  23.900  -0.448   3.169
  144    HB   ILE  15           HB       ILE  15  22.543  -1.950   0.907
  145   HG12  ILE  15          HG12      ILE  15  21.183  -0.711   2.771
  146   HG13  ILE  15          HG11      ILE  15  20.791  -2.394   2.424
  147   HG21  ILE  15          HG21      ILE  15  24.057  -2.912   3.353
  148   HG22  ILE  15          HG22      ILE  15  24.383  -3.309   1.665
  149   HG23  ILE  15          HG23      ILE  15  22.936  -3.935   2.456
  150   HD11  ILE  15          HD11      ILE  15  22.908  -1.935   4.471
  151   HD12  ILE  15          HD12      ILE  15  21.633  -3.152   4.427
  152   HD13  ILE  15          HD13      ILE  15  21.264  -1.502   4.938
  153    H    ALA  16           HN       ALA  16  24.073  -0.245  -0.347
  154    HA   ALA  16           HA       ALA  16  26.564  -1.551  -0.681
  155    HB1  ALA  16           HB1      ALA  16  26.649  -0.342  -2.842
  156    HB2  ALA  16           HB2      ALA  16  25.273   0.639  -2.334
  157    HB3  ALA  16           HB3      ALA  16  25.076  -1.097  -2.574
  158    H    ALA  17           HN       ALA  17  25.626   1.782   0.017
  159    HA   ALA  17           HA       ALA  17  28.236   2.909  -0.155
  160    HB1  ALA  17           HB1      ALA  17  27.169   4.842   0.332
  161    HB2  ALA  17           HB2      ALA  17  26.492   4.185   1.822
  162    HB3  ALA  17           HB3      ALA  17  25.672   3.912   0.285
  163    H    PHE  18           HN       PHE  18  26.290   1.583   2.479
  164    HA   PHE  18           HA       PHE  18  28.192   2.024   4.541
  165    HB2  PHE  18           HB2      PHE  18  26.205   1.554   5.537
  166    HB3  PHE  18           HB1      PHE  18  25.663   0.541   4.202
  167    HD1  PHE  18           HD1      PHE  18  25.484  -1.751   4.576
  168    HD2  PHE  18           HD2      PHE  18  28.275   0.546   6.895
  169    HE1  PHE  18           HE1      PHE  18  26.067  -3.777   5.889
  170    HE2  PHE  18           HE2      PHE  18  28.860  -1.472   8.197
  171    HZ   PHE  18           HZ       PHE  18  27.754  -3.638   7.703
  172    H    LYS  19           HN       LYS  19  27.435  -0.829   2.551
  173    HA   LYS  19           HA       LYS  19  29.614  -2.355   3.672
  174    HB2  LYS  19           HB2      LYS  19  27.645  -2.807   1.436
  175    HB3  LYS  19           HB1      LYS  19  29.009  -3.897   1.677
  176    HG2  LYS  19           HG2      LYS  19  28.136  -3.850   4.203
  177    HG3  LYS  19           HG1      LYS  19  26.615  -3.434   3.413
  178    HD2  LYS  19           HD2      LYS  19  26.303  -5.555   2.734
  179    HD3  LYS  19           HD1      LYS  19  27.907  -5.614   1.995
  180    HE2  LYS  19           HE2      LYS  19  27.312  -6.027   4.944
  181    HE3  LYS  19           HE1      LYS  19  27.654  -7.310   3.789
  182    HZ1  LYS  19           HZ2      LYS  19  29.840  -6.712   3.626
  183    HZ2  LYS  19           HZ3      LYS  19  29.536  -6.297   5.248
  184    HZ3  LYS  19           HZ1      LYS  19  29.567  -5.098   4.058
  185    HN1  NH2  20           H1       LYS  19  29.545   0.138   1.380
  Start of MODEL   10
    1    H2   PRO   1           HT1      PRO   1   3.144  -3.616   1.620
    2    H3   PRO   1           HT2      PRO   1   1.844  -3.388   2.691
    3    HA   PRO   1           HA       PRO   1   2.762  -1.485   3.321
    4    HB2  PRO   1           HB2      PRO   1   5.326  -2.500   4.277
    5    HB3  PRO   1           HB1      PRO   1   3.939  -1.904   5.211
    6    HG2  PRO   1           HG2      PRO   1   4.695  -4.521   5.128
    7    HG3  PRO   1           HG1      PRO   1   3.049  -3.963   5.460
    8    HD2  PRO   1           HD2      PRO   1   4.162  -5.127   2.927
    9    HD3  PRO   1           HD1      PRO   1   2.539  -5.293   3.624
   10    H    MET   2           HN       MET   2   3.004  -1.573   0.754
   11    HA   MET   2           HA       MET   2   5.452  -1.727  -0.518
   12    HB2  MET   2           HB2      MET   2   3.387   0.345  -1.249
   13    HB3  MET   2           HB1      MET   2   4.469  -0.554  -2.312
   14    HG2  MET   2           HG2      MET   2   3.135  -2.609  -1.112
   15    HG3  MET   2           HG1      MET   2   1.879  -1.369  -1.122
   16    HE1  MET   2           HE1      MET   2   1.222  -3.999  -3.432
   17    HE2  MET   2           HE2      MET   2   0.258  -2.587  -3.847
   18    HE3  MET   2           HE3      MET   2   0.660  -2.909  -2.164
   19    H    ALA   3           HN       ALA   3   4.122   0.967   1.363
   20    HA   ALA   3           HA       ALA   3   5.917   2.976   0.592
   21    HB1  ALA   3           HB1      ALA   3   5.249   4.149   2.521
   22    HB2  ALA   3           HB2      ALA   3   4.985   2.667   3.440
   23    HB3  ALA   3           HB3      ALA   3   3.861   3.122   2.162
   24    H    ARG   4           HN       ARG   4   6.205   0.547   3.182
   25    HA   ARG   4           HA       ARG   4   8.745   1.365   4.118
   26    HB2  ARG   4           HB2      ARG   4   7.249  -1.254   4.252
   27    HB3  ARG   4           HB1      ARG   4   8.874  -1.086   4.915
   28    HG2  ARG   4           HG2      ARG   4   8.131   0.065   6.719
   29    HG3  ARG   4           HG1      ARG   4   7.129   1.125   5.728
   30    HD2  ARG   4           HD2      ARG   4   5.759  -0.230   7.269
   31    HD3  ARG   4           HD1      ARG   4   5.397  -0.611   5.598
   32    HE   ARG   4           HE       ARG   4   6.563  -2.660   5.870
   33   HH11  ARG   4          HH11      ARG   4   6.967  -4.408   7.271
   34   HH12  ARG   4          HH12      ARG   4   6.982  -4.147   8.984
   35   HH21  ARG   4          HH21      ARG   4   6.412  -0.725   8.735
   36   HH22  ARG   4          HH22      ARG   4   6.679  -2.049   9.816
   37    H    ASN   5           HN       ASN   5   7.729  -1.052   1.747
   38    HA   ASN   5           HA       ASN   5  10.235  -2.050   1.017
   39    HB2  ASN   5           HB2      ASN   5   8.810  -3.283  -0.216
   40    HB3  ASN   5           HB1      ASN   5   7.536  -2.091  -0.036
   41   HD21  ASN   5          HD21      ASN   5   7.299  -0.504  -1.690
   42   HD22  ASN   5          HD22      ASN   5   8.089  -0.627  -3.188
   43    H    LYS   6           HN       LYS   6   8.478   0.814  -0.058
   44    HA   LYS   6           HA       LYS   6  10.289   1.549  -2.109
   45    HB2  LYS   6           HB2      LYS   6   7.906   2.640  -0.875
   46    HB3  LYS   6           HB1      LYS   6   9.098   3.907  -1.167
   47    HG2  LYS   6           HG2      LYS   6   8.259   1.883  -3.263
   48    HG3  LYS   6           HG1      LYS   6   7.533   3.483  -3.109
   49    HD2  LYS   6           HD2      LYS   6   9.929   4.413  -3.266
   50    HD3  LYS   6           HD1      LYS   6  10.401   2.799  -3.795
   51    HE2  LYS   6           HE2      LYS   6   8.462   4.685  -5.137
   52    HE3  LYS   6           HE1      LYS   6   9.981   4.070  -5.784
   53    HZ1  LYS   6           HZ1      LYS   6   7.383   2.805  -5.639
   54    HZ2  LYS   6           HZ2      LYS   6   8.687   1.797  -5.234
   55    HZ3  LYS   6           HZ3      LYS   6   8.641   2.567  -6.747
   56    H    ILE   7           HN       ILE   7   9.951   2.712   1.261
   57    HA   ILE   7           HA       ILE   7  12.169   4.486   1.039
   58    HB   ILE   7           HB       ILE   7  11.980   4.773   3.451
   59   HG12  ILE   7          HG12      ILE   7  10.114   2.392   3.260
   60   HG13  ILE   7          HG11      ILE   7  11.630   2.471   4.157
   61   HG21  ILE   7          HG21      ILE   7  10.127   6.028   3.130
   62   HG22  ILE   7          HG22      ILE   7   9.122   4.592   2.958
   63   HG23  ILE   7          HG23      ILE   7   9.958   5.252   1.556
   64   HD11  ILE   7          HD11      ILE   7   9.783   2.775   5.716
   65   HD12  ILE   7          HD12      ILE   7   9.113   4.070   4.726
   66   HD13  ILE   7          HD13      ILE   7  10.652   4.299   5.554
   67    H    LEU   8           HN       LEU   8  11.898   1.178   2.449
   68    HA   LEU   8           HA       LEU   8  14.570   1.135   3.378
   69    HB2  LEU   8           HB2      LEU   8  14.364  -1.252   3.569
   70    HB3  LEU   8           HB1      LEU   8  12.797  -0.565   3.975
   71    HG   LEU   8           HG       LEU   8  12.274  -0.937   1.420
   72   HD11  LEU   8          HD11      LEU   8  14.883  -1.869   1.442
   73   HD12  LEU   8          HD12      LEU   8  13.677  -2.282   0.222
   74   HD13  LEU   8          HD13      LEU   8  13.951  -3.354   1.595
   75   HD21  LEU   8          HD21      LEU   8  11.845  -3.467   2.112
   76   HD22  LEU   8          HD22      LEU   8  10.947  -2.159   2.878
   77   HD23  LEU   8          HD23      LEU   8  12.331  -2.874   3.696
   78    H    GLY   9           HN       GLY   9  13.145   0.424   0.221
   79    HA2  GLY   9           HA2      GLY   9  15.410  -0.636  -1.050
   80    HA3  GLY   9           HA1      GLY   9  14.122   0.259  -1.862
   81    H    LYS  10           HN       LYS  10  14.312   2.703  -0.627
   82    HA   LYS  10           HA       LYS  10  16.353   3.989  -2.078
   83    HB2  LYS  10           HB2      LYS  10  14.406   5.237  -1.415
   84    HB3  LYS  10           HB1      LYS  10  14.686   4.885   0.285
   85    HG2  LYS  10           HG2      LYS  10  16.984   6.187  -1.011
   86    HG3  LYS  10           HG1      LYS  10  15.521   7.172  -1.019
   87    HD2  LYS  10           HD2      LYS  10  15.283   6.894   1.403
   88    HD3  LYS  10           HD1      LYS  10  16.699   5.839   1.445
   89    HE2  LYS  10           HE2      LYS  10  17.450   8.021   2.108
   90    HE3  LYS  10           HE1      LYS  10  18.026   7.775   0.462
   91    HZ1  LYS  10           HZ1      LYS  10  15.825   8.905  -0.188
   92    HZ2  LYS  10           HZ2      LYS  10  17.096   9.876   0.385
   93    HZ3  LYS  10           HZ3      LYS  10  15.804   9.473   1.408
   94    H    ILE  11           HN       ILE  11  16.156   2.846   1.254
   95    HA   ILE  11           HA       ILE  11  18.674   3.965   2.068
   96    HB   ILE  11           HB       ILE  11  17.050   1.742   3.335
   97   HG12  ILE  11          HG12      ILE  11  15.911   4.043   2.962
   98   HG13  ILE  11          HG11      ILE  11  15.928   3.417   4.608
   99   HG21  ILE  11          HG21      ILE  11  18.281   2.757   5.403
  100   HG22  ILE  11          HG22      ILE  11  19.402   3.415   4.214
  101   HG23  ILE  11          HG23      ILE  11  19.176   1.671   4.346
  102   HD11  ILE  11          HD11      ILE  11  17.976   5.372   3.509
  103   HD12  ILE  11          HD12      ILE  11  17.855   4.804   5.170
  104   HD13  ILE  11          HD13      ILE  11  16.591   5.831   4.500
  105    H    LEU  12           HN       LEU  12  17.600   0.900   0.723
  106    HA   LEU  12           HA       LEU  12  19.806  -0.684   1.337
  107    HB2  LEU  12           HB2      LEU  12  17.794  -0.727  -0.864
  108    HB3  LEU  12           HB1      LEU  12  19.191  -1.796  -0.964
  109    HG   LEU  12           HG       LEU  12  17.369  -1.637   1.455
  110   HD11  LEU  12          HD11      LEU  12  17.435  -3.906  -0.528
  111   HD12  LEU  12          HD12      LEU  12  16.360  -2.531  -0.777
  112   HD13  LEU  12          HD13      LEU  12  16.200  -3.527   0.670
  113   HD21  LEU  12          HD21      LEU  12  19.507  -2.507   2.084
  114   HD22  LEU  12          HD22      LEU  12  19.636  -3.468   0.611
  115   HD23  LEU  12          HD23      LEU  12  18.473  -3.915   1.858
  116    H    ARG  13           HN       ARG  13  19.366   1.467  -1.453
  117    HA   ARG  13           HA       ARG  13  21.730   0.756  -2.780
  118    HB2  ARG  13           HB2      ARG  13  21.304   3.608  -3.004
  119    HB3  ARG  13           HB1      ARG  13  21.099   2.370  -4.230
  120    HG2  ARG  13           HG2      ARG  13  19.041   2.927  -2.086
  121    HG3  ARG  13           HG1      ARG  13  19.002   3.694  -3.671
  122    HD2  ARG  13           HD2      ARG  13  18.555   0.812  -2.956
  123    HD3  ARG  13           HD1      ARG  13  17.605   1.860  -3.996
  124    HE   ARG  13           HE       ARG  13  20.301   0.971  -4.839
  125   HH11  ARG  13          HH11      ARG  13  20.341   0.115  -6.940
  126   HH12  ARG  13          HH12      ARG  13  18.865  -0.079  -7.823
  127   HH21  ARG  13          HH21      ARG  13  16.858   1.138  -5.267
  128   HH22  ARG  13          HH22      ARG  13  16.889   0.496  -6.872
  129    H    LYS  14           HN       LYS  14  21.127   2.848  -0.036
  130    HA   LYS  14           HA       LYS  14  23.795   3.923   0.099
  131    HB2  LYS  14           HB2      LYS  14  22.026   3.716   2.514
  132    HB3  LYS  14           HB1      LYS  14  23.109   5.019   2.036
  133    HG2  LYS  14           HG2      LYS  14  20.556   4.307   0.562
  134    HG3  LYS  14           HG1      LYS  14  20.672   5.585   1.773
  135    HD2  LYS  14           HD2      LYS  14  21.751   7.012   0.358
  136    HD3  LYS  14           HD1      LYS  14  22.753   5.735  -0.333
  137    HE2  LYS  14           HE2      LYS  14  21.125   5.141  -1.903
  138    HE3  LYS  14           HE1      LYS  14  19.813   5.855  -0.969
  139    HZ1  LYS  14           HZ1      LYS  14  20.080   7.464  -2.512
  140    HZ2  LYS  14           HZ2      LYS  14  21.726   7.143  -2.765
  141    HZ3  LYS  14           HZ3      LYS  14  21.225   8.024  -1.397
  142    H    ILE  15           HN       ILE  15  21.992   1.367   1.757
  143    HA   ILE  15           HA       ILE  15  24.008   0.480   3.480
  144    HB   ILE  15           HB       ILE  15  21.843  -1.133   2.102
  145   HG12  ILE  15          HG12      ILE  15  21.091   0.864   3.477
  146   HG13  ILE  15          HG11      ILE  15  20.503  -0.689   4.067
  147   HG21  ILE  15          HG21      ILE  15  22.166  -2.472   4.329
  148   HG22  ILE  15          HG22      ILE  15  23.750  -1.699   4.362
  149   HG23  ILE  15          HG23      ILE  15  23.299  -2.735   3.007
  150   HD11  ILE  15          HD11      ILE  15  22.399  -0.744   5.693
  151   HD12  ILE  15          HD12      ILE  15  21.322   0.625   5.955
  152   HD13  ILE  15          HD13      ILE  15  22.873   0.865   5.155
  153    H    ALA  16           HN       ALA  16  23.246  -0.414   0.133
  154    HA   ALA  16           HA       ALA  16  25.160  -2.445  -0.212
  155    HB1  ALA  16           HB1      ALA  16  23.343  -1.871  -1.836
  156    HB2  ALA  16           HB2      ALA  16  24.928  -2.042  -2.593
  157    HB3  ALA  16           HB3      ALA  16  24.260  -0.435  -2.291
  158    H    ALA  17           HN       ALA  17  25.385   1.063  -0.700
  159    HA   ALA  17           HA       ALA  17  28.140   1.012  -1.505
  160    HB1  ALA  17           HB1      ALA  17  28.062   3.425  -1.323
  161    HB2  ALA  17           HB2      ALA  17  26.588   3.353  -0.358
  162    HB3  ALA  17           HB3      ALA  17  26.555   2.879  -2.056
  163    H    PHE  18           HN       PHE  18  26.425   1.647   1.520
  164    HA   PHE  18           HA       PHE  18  28.697   2.315   3.082
  165    HB2  PHE  18           HB2      PHE  18  26.607   2.909   3.993
  166    HB3  PHE  18           HB1      PHE  18  25.929   1.310   3.718
  167    HD1  PHE  18           HD1      PHE  18  25.609   0.029   5.628
  168    HD2  PHE  18           HD2      PHE  18  28.918   2.763   5.491
  169    HE1  PHE  18           HE1      PHE  18  26.253  -0.637   7.924
  170    HE2  PHE  18           HE2      PHE  18  29.565   2.096   7.797
  171    HZ   PHE  18           HZ       PHE  18  28.228   0.389   9.011
  172    H    LYS  19           HN       LYS  19  27.040  -0.767   2.460
  173    HA   LYS  19           HA       LYS  19  28.916  -2.236   4.127
  174    HB2  LYS  19           HB2      LYS  19  26.665  -3.101   2.303
  175    HB3  LYS  19           HB1      LYS  19  27.689  -4.236   3.186
  176    HG2  LYS  19           HG2      LYS  19  27.069  -2.941   5.300
  177    HG3  LYS  19           HG1      LYS  19  25.843  -2.125   4.333
  178    HD2  LYS  19           HD2      LYS  19  24.455  -3.873   4.612
  179    HD3  LYS  19           HD1      LYS  19  25.627  -4.929   3.821
  180    HE2  LYS  19           HE2      LYS  19  25.433  -4.271   6.776
  181    HE3  LYS  19           HE1      LYS  19  25.245  -5.847   6.009
  182    HZ1  LYS  19           HZ2      LYS  19  27.396  -6.102   6.489
  183    HZ2  LYS  19           HZ3      LYS  19  27.652  -4.447   6.750
  184    HZ3  LYS  19           HZ1      LYS  19  27.698  -5.073   5.176
  185    HN1  NH2  20           H1       LYS  19  28.513  -1.535   0.675