*HEADER    SIGNALING PROTEIN                       23-DEC-15   2NAE              
*TITLE     MEMBRANE-BOUND MOUSE CD28 CYTOPLASMIC TAIL                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: T-CELL-SPECIFIC SURFACE GLYCOPROTEIN CD28;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 177-218;                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 GENE: CD28;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET-41A(+)                                 
*KEYWDS    CD28, MEMBRANE BOUND PROTEIN, BICELLE, COSTIMULATION, TCR, SIGNALING  
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    H.LI, C.XU, W.PAN                                                     
*REVDAT   1   21-DEC-16 2NAE    0                                                


! Protein intramolecular NOE restraints
assign (resid    2 and name HA   ) (resid    3 and name HN   )   2.60   0.40   0.40

assign (resid    3 and name HA   ) (resid    3 and name HN   )   2.80   0.40   0.40
assign (resid    3 and name HA   ) (resid    5 and name HN   )   4.10   0.40   0.40
assign (resid    3 and name HB*  ) (resid    3 and name HN   )   3.20   0.40   0.40
assign (resid    3 and name HA   ) (resid    3 and name HD2* )   3.70   0.60   0.60
assign (resid    3 and name HB*  ) (resid    3 and name HD2* )   3.10   0.60   0.60

assign (resid    3 and name HA   ) (resid    4 and name HN   )   2.80   0.60   0.60
assign (resid    3 and name HB*  ) (resid    4 and name HN   )   3.00   0.80   0.80
assign (resid    3 and name HB*  ) (resid    5 and name HG*  )   4.40   0.80   0.80
assign (resid    3 and name HD2* ) (resid    5 and name HG*  )   4.50   0.80   0.80

assign (resid    4 and name HN   ) (resid    4 and name HA   )   2.80   0.30   0.30
assign (resid    4 and name HN   ) (resid    4 and name HB*  )   3.30   0.60   0.60
assign (resid    4 and name HN   ) (resid    5 and name HN   )   3.50   0.80   0.80
assign (resid    4 and name HB*  ) (resid    5 and name HN   )   3.50   0.80   0.80

assign (resid    5 and name HN   ) (resid    5 and name HA   )   2.80   0.30   0.30
assign (resid    5 and name HN   ) (resid    5 and name HB*  )   3.10   0.60   0.60
assign (resid    5 and name HN   ) (resid    6 and name HN   )   4.00   0.80   0.80
assign (resid    5 and name HN   ) (resid    5 and name HG*  )   2.90   0.60   0.60

assign (resid    6 and name HN   ) (resid    6 and name HA   )   2.80   0.60   0.60
assign (resid    6 and name HN   ) (resid    6 and name HB*  )   3.40   0.60   0.60
assign (resid    6 and name HN   ) (resid    6 and name HG*  )   3.60   0.60   0.60
assign (resid    6 and name HA   ) (resid    7 and name HN   )   2.80   0.60   0.60
assign (resid    6 and name HB*  ) (resid    7 and name HN   )   3.70   0.60   0.60
assign (resid    6 and name HG*  ) (resid    7 and name HN   )   4.50   1.00   1.00

assign (resid    7 and name HN   ) (resid    7 and name HA   )   2.80   0.40   0.40
assign (resid    7 and name HN   ) (resid    7 and name HB*  )   3.50   0.80   0.80
assign (resid    7 and name HB*  ) (resid    7 and name HD2* )   3.50   0.80   0.80

assign (resid    8 and name HN   ) (resid    8 and name HA   )   2.80   0.30   0.30
assign (resid    8 and name HN   ) (resid    8 and name HG*  )   4.10   0.80   0.80
assign (resid    8 and name HN   ) (resid    8 and name HB*  )   3.40   0.80   0.80

assign (resid    9 and name HN   ) (resid    9 and name HB*  )   3.00   0.30   0.30
assign (resid    9 and name HN   ) (resid    9 and name HA   )   2.80   0.60   0.60

assign (resid   10 and name HN   ) (resid   10 and name HA   )   2.80   0.30   0.30
assign (resid   10 and name HN   ) (resid   10 and name HD*  )   3.50   1.00   1.00
assign (resid   10 and name HB*  ) (resid   11 and name HN   )   3.80   0.80   0.80
assign (resid   10 and name HB*  ) (resid   12 and name HN   )   5.20   1.00   1.00

assign (resid   11 and name HN   ) (resid   11 and name HA   )   2.80   0.30   0.30
assign (resid   11 and name HB*  ) (resid   11 and name HE2* )   3.80   0.80   0.80
assign (resid   11 and name HA   ) (resid   11 and name HG*  )   3.40   0.80   0.80
assign (resid   11 and name HN   ) (resid   11 and name HG*  )   4.37   0.80   0.80

assign (resid   12 and name HN   ) (resid   12 and name HA   )   2.80   0.30   0.30
assign (resid   12 and name HB*  ) (resid   12 and name HN   )   3.30   1.00   1.00
assign (resid   12 and name HA   ) (resid   13 and name HN   )   3.10   0.60   0.60

assign (resid   13 and name HA   ) (resid   13 and name HN   )   2.80   0.60   0.60
assign (resid   13 and name HB*  ) (resid   13 and name HN   )   3.20   0.60   0.60

assign (resid   14 and name HN   ) (resid   14 and name HA   )   2.80   0.30   0.30
assign (resid   14 and name HN   ) (resid   14 and name HD*  )   3.10   0.60   0.60
assign (resid   14 and name HN   ) (resid   15 and name HN   )   3.50   0.60   0.60
assign (resid   14 and name HD*  ) (resid   15 and name HN   )   5.30   1.00   1.00
assign (resid   14 and name HA   ) (resid   14 and name HD*  )   3.80   0.60   0.60
assign (resid   14 and name HA   ) (resid   14 and name HE*  )   4.80   0.60   0.60
assign (resid   14 and name HA   ) (resid   15 and name HN   )   2.60   0.40   0.40
assign (resid   14 and name HA   ) (resid   16 and name HN   )   4.20   0.80   0.80
assign (resid   14 and name HE*  ) (resid   15 and name HE*  )   5.50   0.60   0.60
assign (resid   14 and name HD*  ) (resid   15 and name HE*  )   5.30   0.60   0.60

assign (resid   15 and name HN   ) (resid   15 and name HG*  )   3.90   0.80   0.80
assign (resid   15 and name HA   ) (resid   15 and name HN   )   2.80   0.60   0.60
assign (resid   15 and name HG*  ) (resid   16 and name HN   )   4.10   1.00   1.00
assign (resid   15 and name HB*  ) (resid   16 and name HN   )   3.60   0.80   0.80

assign (resid   16 and name HA   ) (resid   16 and name HN   )   2.80   0.60   0.60
assign (resid   16 and name HB*  ) (resid   16 and name HN   )   3.30   0.60   0.60
assign (resid   16 and name HB*  ) (resid   16 and name HD2* )   3.21   0.60   0.60

assign (resid   17 and name HN   ) (resid   17 and name HA   )   2.80   0.30   0.30
assign (resid   17 and name HN   ) (resid   17 and name HB*  )   3.30   0.80   0.80
assign (resid   17 and name HN   ) (resid   17 and name HG*  )   4.10   0.80   0.80
assign (resid   17 and name HA   ) (resid   17 and name HG*  )   3.30   0.60   0.60
assign (resid   17 and name HA   ) (resid   18 and name HN   )   2.80   0.60   0.60
assign (resid   17 and name HB*  ) (resid   18 and name HN   )   2.80   0.60   0.60
assign (resid   17 and name HG*  ) (resid   18 and name HN   )   3.70   0.60   0.60

assign (resid   18 and name HN   ) (resid   18 and name HA   )   2.80   0.30   0.30
assign (resid   18 and name HN   ) (resid   18 and name HG2* )   2.80   0.80   0.80
assign (resid   18 and name HA   ) (resid   18 and name HG2* )   3.50   0.60   0.60
assign (resid   18 and name HA   ) (resid   19 and name HG*  )   4.10   0.60   0.60
assign (resid   18 and name HA   ) (resid   19 and name HD*  )   3.00   0.60   0.60
assign (resid   18 and name HG2* ) (resid   20 and name HN   )   4.00   0.60   0.60

assign (resid   19 and name HB*  ) (resid   20 and name HN   )   3.30   0.80   0.80
assign (resid   19 and name HG*  ) (resid   20 and name HN   )   3.80   0.80   0.80

assign (resid   20 and name HN   ) (resid   20 and name HA   )   2.80   0.60   0.60
assign (resid   20 and name HA   ) (resid   21 and name HN   )   2.60   0.60   0.60
assign (resid   20 and name HN   ) (resid   20 and name HD*  )   3.80   0.60   0.60
assign (resid   20 and name HD*  ) (resid   21 and name HN   )   4.10   0.60   0.60
assign (resid   20 and name HN   ) (resid   20 and name HG*  )   3.40   0.60   0.60
assign (resid   20 and name HG*  ) (resid   21 and name HN   )   3.60   0.60   0.60

assign (resid   21 and name HN   ) (resid   21 and name HA   )   2.80   0.30   0.30
assign (resid   21 and name HA   ) (resid   21 and name HG*  )   3.20   0.60   0.60
assign (resid   21 and name HN   ) (resid   21 and name HB*  )   3.40   0.60   0.60
assign (resid   21 and name HN   ) (resid   22 and name HD*  )   4.90   0.80   0.80
assign (resid   21 and name HA   ) (resid   22 and name HD*  )   2.80   0.60   0.60

assign (resid   22 and name HA   ) (resid   23 and name HN   )   2.60   0.40   0.60
assign (resid   22 and name HB*  ) (resid   23 and name HN   )   3.40   0.40   0.60
assign (resid   22 and name HG*  ) (resid   23 and name HN   )   3.90   0.40   0.60

assign (resid   23 and name HA*  ) (resid   23 and name HN   )   2.80   0.40   0.60
assign (resid   23 and name HN   ) (resid   24 and name HN   )   4.10   0.80   0.80

assign (resid   24 and name HN   ) (resid   24 and name HA   )   2.80   0.30   0.30
assign (resid   24 and name HN   ) (resid   24 and name HD*  )   4.00   0.60   0.60
assign (resid   24 and name HN   ) (resid   24 and name HB*  )   3.40   0.60   0.60
assign (resid   24 and name HA   ) (resid   24 and name HD*  )   3.00   0.60   0.60
assign (resid   24 and name HA   ) (resid   25 and name HN   )   2.60   0.60   0.60
assign (resid   24 and name HB*  ) (resid   25 and name HN   )   3.40   0.40   0.40
assign (resid   24 and name HD*  ) (resid   25 and name HN   )   4.50   0.60   0.60

assign (resid   25 and name HN   ) (resid   26 and name HN   )   3.50   0.80   0.80
assign (resid   25 and name HN   ) (resid   25 and name HG2* )   3.70   0.60   0.60
assign (resid   25 and name HA   ) (resid   25 and name HN   )   2.80   0.40   0.40
assign (resid   25 and name HA   ) (resid   26 and name HN   )   3.00   0.40   0.40
assign (resid   25 and name HA   ) (resid   25 and name HG2* )   3.20   0.40   0.40
assign (resid   25 and name HB   ) (resid   25 and name HN   )   3.30   0.80   0.80
assign (resid   25 and name HB   ) (resid   26 and name HN   )   3.60   0.80   0.80
assign (resid   25 and name HB   ) (resid   26 and name HB*  )   4.80   0.80   0.80
assign (resid   25 and name HG2* ) (resid   26 and name HN   )   3.90   0.60   0.60

assign (resid   26 and name HN   ) (resid   26 and name HB*  )   3.40   0.60   0.60
assign (resid   26 and name HA   ) (resid   26 and name HN   )   2.80   0.60   0.60
assign (resid   26 and name HA   ) (resid   27 and name HN   )   2.60   0.60   0.60
assign (resid   26 and name HB*  ) (resid   27 and name HN   )   3.30   0.80   0.80

assign (resid   27 and name HN   ) (resid   27 and name HB*  )   3.20   0.80   0.80
assign (resid   27 and name HN   ) (resid   27 and name HG*  )   3.40   0.80   0.80
assign (resid   27 and name HN   ) (resid   27 and name HD*  )   4.30   0.80   0.80
assign (resid   27 and name HN   ) (resid   27 and name HA   )   2.80   0.80   0.80
assign (resid   27 and name HN   ) (resid   28 and name HD*  )   3.30   0.80   0.80
assign (resid   27 and name HA   ) (resid   27 and name HE*  )   4.24   0.80   0.80
assign (resid   27 and name HA   ) (resid   27 and name HD*  )   4.11   0.80   0.80
assign (resid   27 and name HA   ) (resid   27 and name HB*  )   3.10   0.80   0.80
assign (resid   27 and name HA   ) (resid   28 and name HD*  )   3.20   0.80   0.80

assign (resid   29 and name HN   ) (resid   29 and name HA   )   2.80   0.30   0.30
assign (resid   28 and name HB*  ) (resid   29 and name HN   )   3.40   0.60   0.60
assign (resid   28 and name HG*  ) (resid   29 and name HN   )   4.60   0.80   0.80

assign (resid   29 and name HB*  ) (resid   30 and name HN   )   3.30   0.80   0.80
assign (resid   29 and name HD*  ) (resid   30 and name HN   )   4.80   0.80   0.80

assign (resid   30 and name HN   ) (resid   30 and name HA   )   2.80   0.30   0.30
assign (resid   30 and name HN   ) (resid   31 and name HD*  )   3.20   1.00   1.00
assign (resid   30 and name HN   ) (resid   30 and name HG*  )   3.80   0.60   0.60
assign (resid   30 and name HN   ) (resid   30 and name HB*  )   3.50   0.60   0.60
assign (resid   30 and name HA   ) (resid   30 and name HG*  )   3.30   0.60   0.60
assign (resid   30 and name HG*  ) (resid   31 and name HD*  )   4.50   0.80   0.80
assign (resid   30 and name HA   ) (resid   31 and name HD*  )   3.10   0.80   0.80

assign (resid   31 and name HD*  ) (resid   32 and name HN   )   3.50   0.80   0.80
assign (resid   31 and name HA   ) (resid   32 and name HN   )   2.80   0.60   0.60
assign (resid   31 and name HG*  ) (resid   32 and name HN   )   4.20   0.80   0.80

assign (resid   32 and name HN   ) (resid   32 and name HA   )   2.80   0.30   0.30
assign (resid   32 and name HN   ) (resid   32 and name HB*  )   3.30   0.60   0.60
assign (resid   32 and name HN   ) (resid   32 and name HD*  )   3.80   0.80   0.80
assign (resid   32 and name HD*  ) (resid   33 and name HN   )   3.80   0.60   0.60
assign (resid   32 and name HB*  ) (resid   33 and name HN   )   3.50   0.60   0.60

assign (resid   33 and name HB*  ) (resid   35 and name HN   )   4.10   0.80   0.80
assign (resid   33 and name HB*  ) (resid   34 and name HD*  )   2.90   0.60   0.60
assign (resid   33 and name HA   ) (resid   34 and name HG*  )   4.90   0.80   0.80
assign (resid   33 and name HA   ) (resid   34 and name HD*  )   3.10   0.60   0.60
assign (resid   33 and name HN   ) (resid   33 and name HA   )   2.90   0.40   0.40
assign (resid   33 and name HN   ) (resid   33 and name HB*  )   3.00   0.60   0.60

assign (resid   34 and name HG*  ) (resid   35 and name HN   )   4.00   0.80   0.80
assign (resid   34 and name HB*  ) (resid   35 and name HN   )   3.20   0.60   0.60
assign (resid   34 and name HD*  ) (resid   35 and name HN   )   5.30   1.00   1.00

assign (resid   35 and name HN   ) (resid   35 and name HB*  )   3.20   0.40   0.40
assign (resid   35 and name HA   ) (resid   35 and name HN   )   2.80   0.60   0.60
assign (resid   35 and name HA   ) (resid   36 and name HN   )   3.10   0.60   0.60
assign (resid   35 and name HB*  ) (resid   36 and name HN   )   2.80   0.60   0.60

assign (resid   36 and name HN   ) (resid   36 and name HA   )   2.80   0.30   0.30
assign (resid   36 and name HN   ) (resid   36 and name HB*  )   3.10   0.60   0.60
assign (resid   36 and name HN   ) (resid   36 and name HD*  )   4.60   0.80   0.80
assign (resid   36 and name HN   ) (resid   36 and name HG*  )   3.60   0.80   0.80
assign (resid   36 and name HG*  ) (resid   37 and name HN   )   4.60   0.80   0.80

assign (resid   37 and name HN   ) (resid   37 and name HA   )   2.80   0.30   0.30
assign (resid   37 and name HA   ) (resid   38 and name HN   )   2.80   0.40   0.40
assign (resid   37 and name HN   ) (resid   37 and name HB*  )   3.10   0.60   0.60

assign (resid   38 and name HN   ) (resid   38 and name HB*  )   3.30   0.60   0.60
assign (resid   38 and name HN   ) (resid   38 and name HA   )   2.80   0.60   0.60
assign (resid   38 and name HA   ) (resid   40 and name HN   )   4.10   0.80   0.80
assign (resid   38 and name HN   ) (resid   38 and name HD*  )   4.00   0.80   0.80
assign (resid   38 and name HB*  ) (resid   39 and name HN   )   3.60   0.60   0.60
assign (resid   38 and name HD*  ) (resid   39 and name HN   )   4.10   0.80   0.80
assign (resid   38 and name HA   ) (resid   38 and name HD*  )   3.70   0.60   0.60

assign (resid   39 and name HN   ) (resid   39 and name HA   )   2.80   0.40   0.40
assign (resid   39 and name HN   ) (resid   39 and name HB*  )   3.10   0.40   0.40
assign (resid   39 and name HB*  ) (resid   40 and name HN   )   3.70   0.60   0.60
assign (resid   39 and name HN   ) (resid   40 and name HN   )   3.30   0.60   0.60
assign (resid   39 and name HA   ) (resid   40 and name HN   )   3.00   0.60   0.60

assign (resid   40 and name HB*  ) (resid   42 and name HN   )   3.70   0.60   0.60
assign (resid   40 and name HN   ) (resid   40 and name HB*  )   3.00   0.40   0.40
assign (resid   40 and name HB*  ) (resid   41 and name HN   )   3.30   0.60   0.60
assign (resid   40 and name HA   ) (resid   40 and name HN   )   3.00   0.60   0.60
assign (resid   40 and name HA   ) (resid   41 and name HN   )   2.80   0.60   0.60

assign (resid   41 and name HN   ) (resid   41 and name HB*  )   3.20   0.40   0.40
assign (resid   41 and name HN   ) (resid   41 and name HA   )   3.10   0.40   0.40
assign (resid   41 and name HB*  ) (resid   42 and name HN   )   3.30   0.60   0.60
assign (resid   41 and name HD*  ) (resid   41 and name HN   )   4.60   0.80   0.80
assign (resid   41 and name HD*  ) (resid   42 and name HN   )   4.90   0.80   0.80
assign (resid   41 and name HN   ) (resid   38 and name HN   )   5.50   0.80   100

assign (resid   42 and name HN   ) (resid   42 and name HB*  )   3.30   0.60   0.60
assign (resid   42 and name HN   ) (resid   43 and name HD*  )   4.80   0.80   0.80
assign (resid   42 and name HA   ) (resid   43 and name HD*  )   3.00   0.60   0.60
assign (resid   42 and name HN   ) (resid   42 and name HD*  )   4.20   0.80   0.80
assign (resid   42 and name HN   ) (resid   42 and name HG*  )   3.50   0.60   0.60
assign (resid   42 and name HN   ) (resid   42 and name HA   )   2.80   0.40   0.40

! Protein-Lipid (POPG) NOE restraints between protein 1H and 2D planes 

! Distance restraints to Plane 1 (First Headgroup Glycerol, y = -22 A)
assign (segid AN1 and resid 3  and name HN)   0.0   5.5   5.5
assign (segid AN1 and resid 4  and name HN)   0.0   4.0   4.0
assign (segid AN1 and resid 5  and name HN)   0.0   6.0   6.0
assign (segid AN1 and resid 6  and name HN)   0.0   6.0   6.0
assign (segid AN1 and resid 7  and name HN)   0.0   5.0   5.0
assign (segid AN1 and resid 8  and name HN)   0.0   6.0   6.0
assign (segid AN1 and resid 10  and name HN)   0.0   8.0   8.0
assign (segid AN1 and resid 11  and name HN)   0.0   5.0   5.0 
assign (segid AN1 and resid 12  and name HN)   0.0   6.0   6.0
assign (segid AN1 and resid 13  and name HN)   0.0   7.0   7.0
assign (segid AN1 and resid 14  and name HN)   0.0   7.5   7.5
assign (segid AN1 and resid 15  and name HN)   0.0   8.0   8.0
assign (segid AN1 and resid 16  and name HN)   0.0   8.0   8.0
assign (segid AN1 and resid 20  and name HN)   0.0   8.0   8.0
assign (segid AN1 and resid 23  and name HN)   0.0   8.0   8.0
assign (segid AN1 and resid 25  and name HN)   0.0   7.0   7.0
assign (segid AN1 and resid 26  and name HN)   0.0   5.0   5.0
assign (segid AN1 and resid 27  and name HN)   0.0   5.0   5.0
assign (segid AN1 and resid 29  and name HN)   0.0   6.0   6.0
assign (segid AN1 and resid 30  and name HN)   0.0   5.0   5.0
assign (segid AN1 and resid 32  and name HN)   0.0   6.0   6.0
assign (segid AN1 and resid 33  and name HN)   0.0   6.0   6.0
assign (segid AN1 and resid 35  and name HN)   0.0   6.0   6.0
assign (segid AN1 and resid 36  and name HN)   0.0   5.0   5.0
assign (segid AN1 and resid 37  and name HN)   0.0   4.5   4.5
assign (segid AN1 and resid 38  and name HN)   0.0   4.5   4.5
assign (segid AN1 and resid 39  and name HN)   0.0   4.0   4.0
assign (segid AN1 and resid 40  and name HN)   0.0   4.0   4.0
assign (segid AN1 and resid 41  and name HN)   0.0   4.5   4.5
assign (segid AN1 and resid 42  and name HN)   0.0   4.5   4.5
assign (segid AN1 and resid 5  and name HE)   0.0   5.0   5.0
assign (segid AN1 and resid 6  and name HE)   0.0   5.0   5.0
assign (segid AN1 and resid 8  and name HE)   0.0   5.0   5.0
assign (segid AN1 and resid 20  and name HE)   0.0   5.0   5.0
assign (segid AN1 and resid 21  and name HE)   0.0   5.0   5.0
assign (segid AN1 and resid 26  and name HE)   0.0   5.0   5.0
assign (segid AN1 and resid 36  and name HE)   0.0   5.0   5.0
assign (segid AN1 and resid 42  and name HE)   0.0   5.0   5.0
assign (segid AN1 and resid 27  and name HE#)   0.0   6.0   6.0

! Distance restraints to Plane 2 (Second Headgroup Glycerol, y = -17 A)
assign (segid AN1 and resid 3  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 4  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 5  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 6  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 7  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 8  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 10  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 11  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 12  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 13  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 14  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 15  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 16  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 20  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 23  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 25  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 26  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 27  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 29  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 30  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 32  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 33  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 35  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 36  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 37  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 38  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 39  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 40  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 41  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 42  and name HN)   0.0   3.0   3.0
assign (segid AN1 and resid 17  and name HE#)   0.0   3.0   3.0
assign (segid AN1 and resid 15  and name HE#)   0.0   3.0   3.0

! Distance restraints to Plane 3 (Acyl chain, y = -11 A)
assign (segid AN1 and resid 3  and name HN)   0.0   8.0   8.0
assign (segid AN1 and resid 4  and name HN)   0.0   8.0   8.0
assign (segid AN1 and resid 5  and name HN)   0.0   7.0   7.0
assign (segid AN1 and resid 6  and name HN)   0.0   8.0   8.0
assign (segid AN1 and resid 7  and name HN)   0.0   8.0   8.0
assign (segid AN1 and resid 8  and name HN)   0.0   6.0   6.0
assign (segid AN1 and resid 10  and name HN)   0.0   4.5   4.5
assign (segid AN1 and resid 11  and name HN)   0.0   6.5   6.5
assign (segid AN1 and resid 12  and name HN)   0.0   6.0   6.0
assign (segid AN1 and resid 13  and name HN)   0.0   5.0   5.0
assign (segid AN1 and resid 14  and name HN)   0.0   4.5   4.5
assign (segid AN1 and resid 15  and name HN)   0.0   4.0   4.0
assign (segid AN1 and resid 16  and name HN)   0.0   4.0   4.0
assign (segid AN1 and resid 18  and name HN)   0.0   4.0   4.0
assign (segid AN1 and resid 20  and name HN)   0.0   4.0   4.0
assign (segid AN1 and resid 23  and name HN)   0.0   4.0   4.0
assign (segid AN1 and resid 25  and name HN)   0.0   6.0   6.0
assign (segid AN1 and resid 26  and name HN)   0.0   7.0   7.0
assign (segid AN1 and resid 27  and name HN)   0.0   7.5   7.5
assign (segid AN1 and resid 29  and name HN)   0.0   6.0   6.0
assign (segid AN1 and resid 30  and name HN)   0.0   7.0   7.0
assign (segid AN1 and resid 32  and name HN)   0.0   7.0   7.0
assign (segid AN1 and resid 33  and name HN)   0.0   6.0   6.0
assign (segid AN1 and resid 35  and name HN)   0.0   6.0   6.0
assign (segid AN1 and resid 36  and name HN)   0.0   8.0   8.0
assign (segid AN1 and resid 37  and name HN)   0.0   8.0   8.0
assign (segid AN1 and resid 38  and name HN)   0.0   8.0   8.0
assign (segid AN1 and resid 39  and name HN)   0.0   8.0   8.0
assign (segid AN1 and resid 40  and name HN)   0.0   8.0   8.0
assign (segid AN1 and resid 41  and name HN)   0.0   8.0   8.0
assign (segid AN1 and resid 42  and name HN)   0.0   8.0   8.0
assign (segid AN1 and resid 3  and name HD2#)   0.0   8.0   8.0
assign (segid AN1 and resid 7  and name HD2#)   0.0   8.0   8.0
assign (segid AN1 and resid 11  and name HE2#)   0.0   8.0   8.0
assign (segid AN1 and resid 14  and name HD#)   0.0   3.0   3.0
assign (segid AN1 and resid 14  and name HE#)   0.0   3.0   3.0
assign (segid AN1 and resid 32  and name HD#)   0.0   5.0   5.0
assign (segid AN1 and resid 32  and name HE#)   0.0   5.0   5.0
assign (segid AN1 and resid 38  and name HD#)   0.0   7.0   7.0
assign (segid AN1 and resid 38  and name HE#)   0.0   7.0   7.0
assign (segid AN1 and resid 9  and name HD1#)   0.0   3.0   3.0
assign (segid AN1 and resid 9  and name HD2#)   0.0   3.0   3.0
assign (segid AN1 and resid 10  and name HD1#)   0.0   3.0   3.0
assign (segid AN1 and resid 10  and name HD2#)   0.0   3.0   3.0
assign (segid AN1 and resid 24  and name HD1#)   0.0   3.0   3.0
assign (segid AN1 and resid 24  and name HD2#)   0.0   3.0   3.0
assign (segid AN1 and resid 17  and name HE#)   0.0   6.0   6.0
assign (segid AN1 and resid 15  and name HE#)   0.0   5.0   5.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1 -40.035   5.851   0.151
    2    H2   GLY   1           H2       GLY   1 -39.725   5.209  -1.390
    3    H3   GLY   1           H3       GLY   1 -38.478   5.955  -0.512
    4    HA2  GLY   1           HA2      GLY   1 -37.976   4.096   0.566
    5    HA3  GLY   1           HA1      GLY   1 -39.672   3.836   0.978
    6    H    THR   2           H        THR   2 -40.096   1.783   0.386
    7    HA   THR   2           HA       THR   2 -40.462  -0.047  -0.951
    8    HB   THR   2           HB       THR   2 -41.090   0.327  -3.171
    9    HG1  THR   2           HG1      THR   2 -39.706   2.720  -3.453
   10   HG21  THR   2          HG21      THR   2 -41.260   3.190  -2.269
   11   HG22  THR   2          HG22      THR   2 -42.144   1.952  -1.378
   12   HG23  THR   2          HG23      THR   2 -42.472   2.209  -3.090
   13    H    ASN   3           H        ASN   3 -39.294  -1.720  -1.918
   14    HA   ASN   3           HA       ASN   3 -36.397  -1.323  -1.962
   15    HB2  ASN   3           HB3      ASN   3 -37.837  -3.918  -2.537
   16    HB3  ASN   3           HB2      ASN   3 -36.213  -3.678  -1.887
   17   HD21  ASN   3          HD21      ASN   3 -36.014  -3.269   0.436
   18   HD22  ASN   3          HD22      ASN   3 -37.355  -3.345   1.471
   19    H    SER   4           H        SER   4 -36.320  -3.687  -3.971
   20    HA   SER   4           HA       SER   4 -35.830  -3.871  -6.222
   21    HB2  SER   4           HB3      SER   4 -37.537  -3.098  -7.755
   22    HB3  SER   4           HB2      SER   4 -38.322  -3.749  -6.320
   23    HG   SER   4           HG       SER   4 -37.666  -1.017  -6.469
   24    H    ARG   5           H        ARG   5 -33.900  -2.542  -5.512
   25    HA   ARG   5           HA       ARG   5 -33.689   0.210  -5.925
   26    HB2  ARG   5           HB3      ARG   5 -31.617  -1.970  -6.275
   27    HB3  ARG   5           HB2      ARG   5 -31.241  -0.248  -6.345
   28    HG2  ARG   5           HG3      ARG   5 -32.159   0.049  -4.072
   29    HG3  ARG   5           HG2      ARG   5 -32.528  -1.671  -3.990
   30    HD2  ARG   5           HD3      ARG   5 -30.101  -2.161  -4.335
   31    HD3  ARG   5           HD2      ARG   5 -29.779  -0.430  -4.266
   32    HE   ARG   5           HE       ARG   5 -30.455  -2.163  -2.029
   33   HH11  ARG   5          HH11      ARG   5 -30.352  -1.182   0.015
   34   HH12  ARG   5          HH12      ARG   5 -30.221   0.540   0.138
   35   HH21  ARG   5          HH21      ARG   5 -30.235   1.055  -3.288
   36   HH22  ARG   5          HH22      ARG   5 -30.154   1.806  -1.729
   37    H    ARG   6           H        ARG   6 -33.042  -2.411  -8.285
   38    HA   ARG   6           HA       ARG   6 -32.696  -2.398 -10.544
   39    HB2  ARG   6           HB3      ARG   6 -34.553  -1.468 -11.828
   40    HB3  ARG   6           HB2      ARG   6 -35.141  -2.288 -10.387
   41    HG2  ARG   6           HG3      ARG   6 -35.500  -0.188  -9.256
   42    HG3  ARG   6           HG2      ARG   6 -34.704   0.708 -10.546
   43    HD2  ARG   6           HD3      ARG   6 -37.073   0.931 -10.882
   44    HD3  ARG   6           HD2      ARG   6 -36.481  -0.178 -12.114
   45    HE   ARG   6           HE       ARG   6 -37.660  -1.907 -11.076
   46   HH11  ARG   6          HH11      ARG   6 -39.224  -2.651  -9.595
   47   HH12  ARG   6          HH12      ARG   6 -39.679  -1.653  -8.254
   48   HH21  ARG   6          HH21      ARG   6 -37.529   0.933  -9.108
   49   HH22  ARG   6          HH22      ARG   6 -38.717   0.378  -7.978
   50    H    ASN   7           H        ASN   7 -31.512  -1.463 -12.165
   51    HA   ASN   7           HA       ASN   7 -30.092   0.090 -13.124
   52    HB2  ASN   7           HB3      ASN   7 -32.241   1.125 -13.742
   53    HB3  ASN   7           HB2      ASN   7 -32.263   1.997 -12.207
   54   HD21  ASN   7          HD21      ASN   7 -32.308   3.893 -14.016
   55   HD22  ASN   7          HD22      ASN   7 -30.777   4.484 -14.447
   56    H    ARG   8           H        ARG   8 -29.141  -0.688 -10.795
   57    HA   ARG   8           HA       ARG   8 -28.810   0.861  -8.603
   58    HB2  ARG   8           HB3      ARG   8 -27.519  -1.320  -9.271
   59    HB3  ARG   8           HB2      ARG   8 -26.306  -0.213  -9.905
   60    HG2  ARG   8           HG3      ARG   8 -25.539  -0.495  -7.720
   61    HG3  ARG   8           HG2      ARG   8 -26.544   0.938  -7.528
   62    HD2  ARG   8           HD3      ARG   8 -28.410  -0.441  -6.733
   63    HD3  ARG   8           HD2      ARG   8 -27.479  -1.906  -7.018
   64    HE   ARG   8           HE       ARG   8 -26.357  -1.515  -5.027
   65   HH11  ARG   8          HH11      ARG   8 -26.015  -0.367  -3.093
   66   HH12  ARG   8          HH12      ARG   8 -26.604   1.254  -2.938
   67   HH21  ARG   8          HH21      ARG   8 -27.986   1.339  -6.118
   68   HH22  ARG   8          HH22      ARG   8 -27.720   2.221  -4.650
   69    H    LEU   9           H        LEU   9 -26.481   1.205 -11.307
   70    HA   LEU   9           HA       LEU   9 -26.786   3.994 -11.546
   71    HB2  LEU   9           HB3      LEU   9 -25.568   3.558  -9.197
   72    HB3  LEU   9           HB2      LEU   9 -24.148   3.463 -10.225
   73    HG   LEU   9           HG       LEU   9 -24.430   5.740  -9.396
   74   HD11  LEU   9          HD11      LEU   9 -25.131   5.579 -12.339
   75   HD12  LEU   9          HD12      LEU   9 -23.508   5.529 -11.653
   76   HD13  LEU   9          HD13      LEU   9 -24.477   6.988 -11.514
   77   HD21  LEU   9          HD21      LEU   9 -26.370   6.976  -9.471
   78   HD22  LEU   9          HD22      LEU   9 -27.072   5.370  -9.344
   79   HD23  LEU   9          HD23      LEU   9 -26.980   6.169 -10.910
   80    H    LEU  10           H        LEU  10 -26.619   1.896 -13.349
   81    HA   LEU  10           HA       LEU  10 -25.201   0.880 -14.977
   82    HB2  LEU  10           HB3      LEU  10 -24.745   2.705 -16.701
   83    HB3  LEU  10           HB2      LEU  10 -26.420   2.436 -16.240
   84    HG   LEU  10           HG       LEU  10 -24.908   4.470 -14.631
   85   HD11  LEU  10          HD11      LEU  10 -25.723   4.882 -17.512
   86   HD12  LEU  10          HD12      LEU  10 -24.136   5.142 -16.791
   87   HD13  LEU  10          HD13      LEU  10 -25.474   6.213 -16.384
   88   HD21  LEU  10          HD21      LEU  10 -27.099   5.663 -14.826
   89   HD22  LEU  10          HD22      LEU  10 -27.276   4.051 -14.147
   90   HD23  LEU  10          HD23      LEU  10 -27.699   4.346 -15.830
   91    H    GLN  11           H        GLN  11 -23.276   0.090 -14.324
   92    HA   GLN  11           HA       GLN  11 -20.985  -0.004 -14.082
   93    HB2  GLN  11           HB3      GLN  11 -20.008   0.983 -15.879
   94    HB3  GLN  11           HB2      GLN  11 -21.477   1.897 -16.159
   95    HG2  GLN  11           HG3      GLN  11 -20.652   3.668 -14.630
   96    HG3  GLN  11           HG2      GLN  11 -19.168   2.747 -14.383
   97   HE21  GLN  11          HE21      GLN  11 -19.633   5.455 -15.743
   98   HE22  GLN  11          HE22      GLN  11 -18.925   5.277 -17.275
   99    H    SER  12           H        SER  12 -19.288   0.880 -12.799
  100    HA   SER  12           HA       SER  12 -18.531   1.740 -10.780
  101    HB2  SER  12           HB3      SER  12 -18.651   4.080 -10.578
  102    HB3  SER  12           HB2      SER  12 -18.735   3.792 -12.314
  103    HG   SER  12           HG       SER  12 -20.349   5.268 -11.381
  104    H    ASP  13           H        ASP  13 -19.620   0.324  -9.335
  105    HA   ASP  13           HA       ASP  13 -22.331   0.693  -8.525
  106    HB2  ASP  13           HB3      ASP  13 -21.781  -0.885  -6.722
  107    HB3  ASP  13           HB2      ASP  13 -21.180  -1.466  -8.274
  108    H    TYR  14           H        TYR  14 -23.085   1.403  -6.433
  109    HA   TYR  14           HA       TYR  14 -21.952   3.853  -5.646
  110    HB2  TYR  14           HB3      TYR  14 -24.361   3.320  -5.455
  111    HB3  TYR  14           HB2      TYR  14 -23.984   2.148  -4.196
  112    HD1  TYR  14           HD1      TYR  14 -24.258   5.709  -5.033
  113    HD2  TYR  14           HD2      TYR  14 -23.178   2.874  -1.999
  114    HE1  TYR  14           HE1      TYR  14 -24.291   7.518  -3.332
  115    HE2  TYR  14           HE2      TYR  14 -23.210   4.678  -0.295
  116    HH   TYR  14           HH       TYR  14 -23.580   8.050  -1.199
  117    H    MET  15           H        MET  15 -20.920   0.790  -4.952
  118    HA   MET  15           HA       MET  15 -20.002  -0.131  -2.930
  119    HB2  MET  15           HB3      MET  15 -18.331   0.263  -4.707
  120    HB3  MET  15           HB2      MET  15 -18.030   1.870  -4.050
  121    HG2  MET  15           HG3      MET  15 -16.330   0.261  -3.270
  122    HG3  MET  15           HG2      MET  15 -17.275   0.876  -1.926
  123    HE1  MET  15           HE1      MET  15 -18.060  -2.152  -0.102
  124    HE2  MET  15           HE2      MET  15 -18.767  -0.559  -0.373
  125    HE3  MET  15           HE3      MET  15 -17.020  -0.725  -0.207
  126    H    ASN  16           H        ASN  16 -21.475   0.911  -1.389
  127    HA   ASN  16           HA       ASN  16 -21.349   3.293  -0.131
  128    HB2  ASN  16           HB3      ASN  16 -22.850   1.440   0.599
  129    HB3  ASN  16           HB2      ASN  16 -21.472   0.672   1.396
  130   HD21  ASN  16          HD21      ASN  16 -21.609   4.174   1.419
  131   HD22  ASN  16          HD22      ASN  16 -22.070   4.330   3.043
  132    H    MET  17           H        MET  17 -20.235   4.268   1.561
  133    HA   MET  17           HA       MET  17 -18.467   4.680   3.039
  134    HB2  MET  17           HB3      MET  17 -16.969   2.265   1.990
  135    HB3  MET  17           HB2      MET  17 -16.684   3.165   3.461
  136    HG2  MET  17           HG3      MET  17 -18.043   1.754   4.605
  137    HG3  MET  17           HG2      MET  17 -19.394   2.212   3.592
  138    HE1  MET  17           HE1      MET  17 -19.351  -0.943   4.711
  139    HE2  MET  17           HE2      MET  17 -20.193  -1.333   3.210
  140    HE3  MET  17           HE3      MET  17 -20.472   0.217   3.990
  141    H    THR  18           H        THR  18 -17.137   3.220   0.051
  142    HA   THR  18           HA       THR  18 -16.525   5.673  -1.167
  143    HB   THR  18           HB       THR  18 -14.773   5.157   0.954
  144    HG1  THR  18           HG1      THR  18 -14.550   7.146   0.427
  145   HG21  THR  18          HG21      THR  18 -12.590   4.785  -0.022
  146   HG22  THR  18          HG22      THR  18 -13.276   4.721  -1.646
  147   HG23  THR  18          HG23      THR  18 -13.630   3.439  -0.487
  148    HA   PRO  19           HA       PRO  19 -15.954   2.847  -4.526
  149    HB2  PRO  19           HB3      PRO  19 -14.337   4.253  -6.239
  150    HB3  PRO  19           HB2      PRO  19 -16.048   4.661  -5.972
  151    HG2  PRO  19           HG3      PRO  19 -13.605   5.877  -4.740
  152    HG3  PRO  19           HG2      PRO  19 -15.033   6.678  -5.422
  153    HD2  PRO  19           HD3      PRO  19 -14.743   6.348  -2.753
  154    HD3  PRO  19           HD2      PRO  19 -16.341   6.252  -3.532
  155    H    ARG  20           H        ARG  20 -14.603   1.168  -5.108
  156    HA   ARG  20           HA       ARG  20 -12.524   0.313  -3.596
  157    HB2  ARG  20           HB3      ARG  20 -11.790  -1.092  -5.435
  158    HB3  ARG  20           HB2      ARG  20 -13.547  -1.025  -5.400
  159    HG2  ARG  20           HG3      ARG  20 -13.486  -0.406  -7.595
  160    HG3  ARG  20           HG2      ARG  20 -12.807   1.132  -7.080
  161    HD2  ARG  20           HD3      ARG  20 -10.538   0.201  -7.262
  162    HD3  ARG  20           HD2      ARG  20 -11.208  -1.347  -7.763
  163    HE   ARG  20           HE       ARG  20 -11.574  -0.445  -9.874
  164   HH11  ARG  20          HH11      ARG  20 -11.475   1.224 -11.409
  165   HH12  ARG  20          HH12      ARG  20 -11.180   2.850 -10.895
  166   HH21  ARG  20          HH21      ARG  20 -10.979   2.029  -7.530
  167   HH22  ARG  20          HH22      ARG  20 -10.897   3.307  -8.696
  168    H    ARG  21           H        ARG  21 -10.396   0.657  -3.349
  169    HA   ARG  21           HA       ARG  21  -9.183   3.028  -3.755
  170    HB2  ARG  21           HB3      ARG  21  -7.196   0.907  -4.168
  171    HB3  ARG  21           HB2      ARG  21  -7.377   2.012  -2.812
  172    HG2  ARG  21           HG3      ARG  21  -7.668  -0.209  -1.958
  173    HG3  ARG  21           HG2      ARG  21  -9.260   0.546  -1.978
  174    HD2  ARG  21           HD3      ARG  21 -10.040  -1.113  -3.327
  175    HD3  ARG  21           HD2      ARG  21  -8.805  -0.758  -4.528
  176    HE   ARG  21           HE       ARG  21  -7.792  -2.704  -3.842
  177   HH11  ARG  21          HH11      ARG  21  -7.226  -4.335  -2.389
  178   HH12  ARG  21          HH12      ARG  21  -7.767  -4.259  -0.745
  179   HH21  ARG  21          HH21      ARG  21  -9.486  -1.275  -1.174
  180   HH22  ARG  21          HH22      ARG  21  -9.048  -2.525  -0.057
  181    HA   PRO  22           HA       PRO  22  -8.741   3.030  -8.254
  182    HB2  PRO  22           HB3      PRO  22  -7.676   5.482  -8.616
  183    HB3  PRO  22           HB2      PRO  22  -9.365   5.280  -8.095
  184    HG2  PRO  22           HG3      PRO  22  -6.946   5.878  -6.443
  185    HG3  PRO  22           HG2      PRO  22  -8.547   6.642  -6.398
  186    HD2  PRO  22           HD3      PRO  22  -7.790   4.688  -4.627
  187    HD3  PRO  22           HD2      PRO  22  -9.480   4.921  -5.139
  188    H    GLY  23           H        GLY  23  -7.204   1.685  -8.998
  189    HA2  GLY  23           HA2      GLY  23  -4.651   1.248  -8.060
  190    HA3  GLY  23           HA1      GLY  23  -5.118   0.966  -9.735
  191    H    LEU  24           H        LEU  24  -4.752   2.585 -11.290
  192    HA   LEU  24           HA       LEU  24  -3.414   4.185 -12.313
  193    HB2  LEU  24           HB3      LEU  24  -5.027   5.552 -10.864
  194    HB3  LEU  24           HB2      LEU  24  -3.704   5.684  -9.710
  195    HG   LEU  24           HG       LEU  24  -2.350   6.464 -11.902
  196   HD11  LEU  24          HD11      LEU  24  -3.768   7.809 -13.384
  197   HD12  LEU  24          HD12      LEU  24  -5.202   7.332 -12.476
  198   HD13  LEU  24          HD13      LEU  24  -4.307   6.131 -13.406
  199   HD21  LEU  24          HD21      LEU  24  -2.523   7.859  -9.937
  200   HD22  LEU  24          HD22      LEU  24  -4.234   8.165 -10.238
  201   HD23  LEU  24          HD23      LEU  24  -3.014   8.837 -11.319
  202    H    THR  25           H        THR  25  -1.949   2.124 -11.206
  203    HA   THR  25           HA       THR  25   0.412   3.482 -10.005
  204    HB   THR  25           HB       THR  25   1.077   1.167  -9.252
  205    HG1  THR  25           HG1      THR  25  -1.376   0.653 -10.473
  206   HG21  THR  25          HG21      THR  25  -1.419   2.516  -8.229
  207   HG22  THR  25          HG22      THR  25   0.165   2.375  -7.465
  208   HG23  THR  25          HG23      THR  25  -0.908   0.979  -7.538
  209    H    ARG  26           H        ARG  26   0.095   0.361 -11.661
  210    HA   ARG  26           HA       ARG  26   1.267  -0.537 -13.421
  211    HB2  ARG  26           HB3      ARG  26   1.067   2.334 -14.354
  212    HB3  ARG  26           HB2      ARG  26   1.614   0.997 -15.364
  213    HG2  ARG  26           HG3      ARG  26  -0.519  -0.148 -15.081
  214    HG3  ARG  26           HG2      ARG  26  -1.070   1.095 -13.960
  215    HD2  ARG  26           HD3      ARG  26  -2.019   1.533 -16.158
  216    HD3  ARG  26           HD2      ARG  26  -0.842   2.784 -15.771
  217    HE   ARG  26           HE       ARG  26   0.131   0.502 -17.330
  218   HH11  ARG  26          HH11      ARG  26   1.020   1.059 -19.341
  219   HH12  ARG  26          HH12      ARG  26   0.806   2.660 -19.966
  220   HH21  ARG  26          HH21      ARG  26  -1.038   3.765 -17.250
  221   HH22  ARG  26          HH22      ARG  26  -0.356   4.188 -18.783
  222    H    LYS  27           H        LYS  27   3.351  -0.815 -14.296
  223    HA   LYS  27           HA       LYS  27   5.632  -0.823 -14.238
  224    HB2  LYS  27           HB3      LYS  27   5.447   2.087 -13.444
  225    HB3  LYS  27           HB2      LYS  27   6.755   1.284 -14.313
  226    HG2  LYS  27           HG3      LYS  27   5.065   0.755 -16.137
  227    HG3  LYS  27           HG2      LYS  27   3.952   1.843 -15.310
  228    HD2  LYS  27           HD3      LYS  27   5.422   3.719 -15.617
  229    HD3  LYS  27           HD2      LYS  27   6.727   2.678 -16.184
  230    HE2  LYS  27           HE3      LYS  27   5.635   2.223 -18.231
  231    HE3  LYS  27           HE2      LYS  27   4.076   2.782 -17.625
  232    HZ1  LYS  27           HZ1      LYS  27   4.692   4.975 -17.798
  233    HZ2  LYS  27           HZ2      LYS  27   5.460   4.303 -19.156
  234    HZ3  LYS  27           HZ3      LYS  27   6.355   4.640 -17.752
  235    HA   PRO  28           HA       PRO  28   6.538  -1.418  -9.908
  236    HB2  PRO  28           HB3      PRO  28   9.208  -1.871  -9.948
  237    HB3  PRO  28           HB2      PRO  28   8.058  -3.022 -10.662
  238    HG2  PRO  28           HG3      PRO  28   9.685  -0.906 -12.019
  239    HG3  PRO  28           HG2      PRO  28   9.459  -2.607 -12.475
  240    HD2  PRO  28           HD3      PRO  28   8.035  -0.599 -13.647
  241    HD3  PRO  28           HD2      PRO  28   7.351  -2.226 -13.394
  242    H    TYR  29           H        TYR  29   7.374  -0.309  -8.079
  243    HA   TYR  29           HA       TYR  29   7.794   2.495  -8.448
  244    HB2  TYR  29           HB3      TYR  29   6.632   1.440  -6.473
  245    HB3  TYR  29           HB2      TYR  29   8.215   0.891  -5.921
  246    HD1  TYR  29           HD1      TYR  29   6.114   3.850  -6.606
  247    HD2  TYR  29           HD2      TYR  29   9.853   2.440  -5.033
  248    HE1  TYR  29           HE1      TYR  29   6.534   6.080  -5.606
  249    HE2  TYR  29           HE2      TYR  29  10.273   4.670  -4.031
  250    HH   TYR  29           HH       TYR  29   9.008   7.337  -4.873
  251    H    GLN  30           H        GLN  30   9.823  -0.134  -8.722
  252    HA   GLN  30           HA       GLN  30  12.125  -0.478  -8.274
  253    HB2  GLN  30           HB3      GLN  30  13.424   0.696  -9.916
  254    HB3  GLN  30           HB2      GLN  30  11.849   0.341 -10.614
  255    HG2  GLN  30           HG3      GLN  30  11.380   2.832  -9.550
  256    HG3  GLN  30           HG2      GLN  30  13.084   2.971  -9.948
  257   HE21  GLN  30          HE21      GLN  30  11.070   4.474 -11.330
  258   HE22  GLN  30          HE22      GLN  30  11.015   3.929 -12.937
  259    HA   PRO  31           HA       PRO  31  12.299   2.702  -4.851
  260    HB2  PRO  31           HB3      PRO  31  13.542   0.252  -3.641
  261    HB3  PRO  31           HB2      PRO  31  12.415   1.417  -2.914
  262    HG2  PRO  31           HG3      PRO  31  11.563  -0.964  -3.707
  263    HG3  PRO  31           HG2      PRO  31  10.571   0.485  -3.964
  264    HD2  PRO  31           HD3      PRO  31  12.196  -1.063  -5.953
  265    HD3  PRO  31           HD2      PRO  31  10.641  -0.224  -6.176
  266    H    TYR  32           H        TYR  32  14.707   0.360  -5.954
  267    HA   TYR  32           HA       TYR  32  17.030   0.453  -6.006
  268    HB2  TYR  32           HB3      TYR  32  17.680   1.844  -7.726
  269    HB3  TYR  32           HB2      TYR  32  15.941   1.990  -7.916
  270    HD1  TYR  32           HD1      TYR  32  19.025   3.670  -6.929
  271    HD2  TYR  32           HD2      TYR  32  14.747   4.008  -7.083
  272    HE1  TYR  32           HE1      TYR  32  19.208   6.108  -6.527
  273    HE2  TYR  32           HE2      TYR  32  14.926   6.450  -6.683
  274    HH   TYR  32           HH       TYR  32  16.678   8.250  -7.035
  275    H    ALA  33           H        ALA  33  18.032   0.455  -4.074
  276    HA   ALA  33           HA       ALA  33  18.645   3.083  -2.862
  277    HB1  ALA  33           HB1      ALA  33  17.806   0.732  -1.171
  278    HB2  ALA  33           HB2      ALA  33  16.657   1.949  -1.725
  279    HB3  ALA  33           HB3      ALA  33  18.006   2.417  -0.690
  280    HA   PRO  34           HA       PRO  34  22.311   0.209  -3.378
  281    HB2  PRO  34           HB3      PRO  34  23.578   2.891  -3.809
  282    HB3  PRO  34           HB2      PRO  34  23.813   1.378  -4.709
  283    HG2  PRO  34           HG3      PRO  34  22.387   3.383  -5.736
  284    HG3  PRO  34           HG2      PRO  34  21.919   1.692  -5.992
  285    HD2  PRO  34           HD3      PRO  34  20.705   3.723  -4.147
  286    HD3  PRO  34           HD2      PRO  34  19.912   2.426  -5.075
  287    H    ALA  35           H        ALA  35  22.641  -0.393  -1.309
  288    HA   ALA  35           HA       ALA  35  23.351   1.667   0.703
  289    HB1  ALA  35           HB1      ALA  35  21.562   0.338   1.533
  290    HB2  ALA  35           HB2      ALA  35  23.008  -0.230   2.363
  291    HB3  ALA  35           HB3      ALA  35  22.329  -1.170   1.038
  292    H    ARG  36           H        ARG  36  24.296  -1.758   0.717
  293    HA   ARG  36           HA       ARG  36  26.399  -2.699   1.031
  294    HB2  ARG  36           HB3      ARG  36  26.983  -0.504  -0.971
  295    HB3  ARG  36           HB2      ARG  36  28.170  -1.718  -0.492
  296    HG2  ARG  36           HG3      ARG  36  26.683  -3.513  -1.254
  297    HG3  ARG  36           HG2      ARG  36  25.446  -2.331  -1.679
  298    HD2  ARG  36           HD3      ARG  36  26.958  -1.315  -3.325
  299    HD3  ARG  36           HD2      ARG  36  28.215  -2.471  -2.894
  300    HE   ARG  36           HE       ARG  36  26.087  -4.047  -3.575
  301   HH11  ARG  36          HH11      ARG  36  25.733  -4.797  -5.684
  302   HH12  ARG  36          HH12      ARG  36  26.353  -3.905  -7.031
  303   HH21  ARG  36          HH21      ARG  36  27.780  -1.424  -5.074
  304   HH22  ARG  36          HH22      ARG  36  27.512  -1.996  -6.686
  305    H    ASP  37           H        ASP  37  26.625  -2.171   3.227
  306    HA   ASP  37           HA       ASP  37  27.502   0.311   4.230
  307    HB2  ASP  37           HB3      ASP  37  26.519  -1.343   5.716
  308    HB3  ASP  37           HB2      ASP  37  27.848  -2.460   5.399
  309    H    PHE  38           H        PHE  38  29.545  -2.418   4.825
  310    HA   PHE  38           HA       PHE  38  31.681  -1.798   3.123
  311    HB2  PHE  38           HB3      PHE  38  31.509   0.187   5.012
  312    HB3  PHE  38           HB2      PHE  38  32.610  -0.924   5.812
  313    HD1  PHE  38           HD1      PHE  38  32.152   1.408   3.031
  314    HD2  PHE  38           HD2      PHE  38  34.780  -1.538   4.735
  315    HE1  PHE  38           HE1      PHE  38  33.998   2.214   1.584
  316    HE2  PHE  38           HE2      PHE  38  36.623  -0.725   3.291
  317    HZ   PHE  38           HZ       PHE  38  36.231   1.148   1.714
  318    H    ALA  39           H        ALA  39  30.197  -3.949   4.513
  319    HA   ALA  39           HA       ALA  39  30.567  -5.991   5.517
  320    HB1  ALA  39           HB1      ALA  39  32.001  -5.752   3.218
  321    HB2  ALA  39           HB2      ALA  39  31.894  -7.247   4.142
  322    HB3  ALA  39           HB3      ALA  39  33.288  -6.186   4.336
  323    H    ALA  40           H        ALA  40  30.896  -4.356   7.500
  324    HA   ALA  40           HA       ALA  40  31.864  -4.064   9.572
  325    HB1  ALA  40           HB1      ALA  40  33.193  -6.668   8.797
  326    HB2  ALA  40           HB2      ALA  40  31.780  -6.442   9.823
  327    HB3  ALA  40           HB3      ALA  40  33.366  -5.916  10.380
  328    H    TYR  41           H        TYR  41  32.873  -2.465   7.758
  329    HA   TYR  41           HA       TYR  41  34.736  -1.232   7.046
  330    HB2  TYR  41           HB3      TYR  41  34.383  -0.471   9.356
  331    HB3  TYR  41           HB2      TYR  41  35.433  -1.759   9.950
  332    HD1  TYR  41           HD1      TYR  41  35.377   1.157   7.603
  333    HD2  TYR  41           HD2      TYR  41  37.758  -1.415  10.088
  334    HE1  TYR  41           HE1      TYR  41  37.360   2.586   7.180
  335    HE2  TYR  41           HE2      TYR  41  39.741   0.014   9.664
  336    HH   TYR  41           HH       TYR  41  40.438   1.655   7.700
  337    H    ARG  42           H        ARG  42  34.912  -4.259   6.972
  338    HA   ARG  42           HA       ARG  42  36.612  -5.926   7.042
  339    HB2  ARG  42           HB3      ARG  42  36.167  -4.368   4.655
  340    HB3  ARG  42           HB2      ARG  42  37.819  -4.968   4.637
  341    HG2  ARG  42           HG3      ARG  42  37.089  -7.248   4.841
  342    HG3  ARG  42           HG2      ARG  42  35.435  -6.752   5.212
  343    HD2  ARG  42           HD3      ARG  42  35.159  -5.836   2.975
  344    HD3  ARG  42           HD2      ARG  42  36.842  -6.179   2.590
  345    HE   ARG  42           HE       ARG  42  34.669  -8.037   2.488
  346   HH11  ARG  42          HH11      ARG  42  35.167 -10.213   2.067
  347   HH12  ARG  42          HH12      ARG  42  36.799 -10.770   2.235
  348   HH21  ARG  42          HH21      ARG  42  38.039  -7.676   3.187
  349   HH22  ARG  42          HH22      ARG  42  38.424  -9.333   2.866
  350    HA   PRO  43           HA       PRO  43  40.311  -4.513   9.269
  351    HB2  PRO  43           HB3      PRO  43  41.423  -6.870   7.763
  352    HB3  PRO  43           HB2      PRO  43  41.718  -6.376   9.443
  353    HG2  PRO  43           HG3      PRO  43  39.988  -8.324   8.856
  354    HG3  PRO  43           HG2      PRO  43  39.685  -7.185  10.181
  355    HD2  PRO  43           HD3      PRO  43  38.311  -7.403   7.561
  356    HD3  PRO  43           HD2      PRO  43  37.746  -6.631   9.067
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1 -38.666   4.495  -2.383
    2    H2   GLY   1           H2       GLY   1 -39.810   4.560  -3.639
    3    H3   GLY   1           H3       GLY   1 -38.444   5.570  -3.676
    4    HA2  GLY   1           HA2      GLY   1 -38.052   3.812  -5.205
    5    HA3  GLY   1           HA1      GLY   1 -37.023   3.552  -3.795
    6    H    THR   2           H        THR   2 -36.944   1.296  -4.197
    7    HA   THR   2           HA       THR   2 -37.597  -0.890  -3.940
    8    HB   THR   2           HB       THR   2 -38.968  -1.378  -2.101
    9    HG1  THR   2           HG1      THR   2 -40.213   1.075  -1.931
   10   HG21  THR   2          HG21      THR   2 -37.011   0.242  -1.638
   11   HG22  THR   2          HG22      THR   2 -38.240   0.081  -0.387
   12   HG23  THR   2          HG23      THR   2 -38.252   1.481  -1.458
   13    H    ASN   3           H        ASN   3 -38.995  -2.434  -4.834
   14    HA   ASN   3           HA       ASN   3 -40.575  -3.246  -6.306
   15    HB2  ASN   3           HB3      ASN   3 -42.217  -0.789  -5.689
   16    HB3  ASN   3           HB2      ASN   3 -42.776  -2.386  -6.168
   17   HD21  ASN   3          HD21      ASN   3 -41.674  -0.471  -3.403
   18   HD22  ASN   3          HD22      ASN   3 -41.961  -1.675  -2.242
   19    H    SER   4           H        SER   4 -40.443  -3.219  -8.466
   20    HA   SER   4           HA       SER   4 -40.018  -2.455 -10.618
   21    HB2  SER   4           HB3      SER   4 -41.472  -0.776 -11.381
   22    HB3  SER   4           HB2      SER   4 -42.328  -1.460 -10.002
   23    HG   SER   4           HG       SER   4 -40.828   0.936 -10.165
   24    H    ARG   5           H        ARG   5 -37.877  -2.059  -8.960
   25    HA   ARG   5           HA       ARG   5 -36.908   0.568  -8.753
   26    HB2  ARG   5           HB3      ARG   5 -35.439  -2.065  -9.004
   27    HB3  ARG   5           HB2      ARG   5 -34.632  -0.527  -8.696
   28    HG2  ARG   5           HG3      ARG   5 -35.977  -0.199  -6.667
   29    HG3  ARG   5           HG2      ARG   5 -36.832  -1.710  -6.973
   30    HD2  ARG   5           HD3      ARG   5 -34.690  -2.941  -6.811
   31    HD3  ARG   5           HD2      ARG   5 -33.857  -1.428  -6.467
   32    HE   ARG   5           HE       ARG   5 -35.444  -2.970  -4.622
   33   HH11  ARG   5          HH11      ARG   5 -35.605  -2.138  -2.515
   34   HH12  ARG   5          HH12      ARG   5 -35.170  -0.489  -2.206
   35   HH21  ARG   5          HH21      ARG   5 -34.334   0.186  -5.501
   36   HH22  ARG   5          HH22      ARG   5 -34.452   0.826  -3.896
   37    H    ARG   6           H        ARG   6 -35.582  -1.800 -11.077
   38    HA   ARG   6           HA       ARG   6 -34.713  -1.553 -13.166
   39    HB2  ARG   6           HB3      ARG   6 -36.358  -0.998 -14.630
   40    HB3  ARG   6           HB2      ARG   6 -37.332  -0.610 -13.220
   41    HG2  ARG   6           HG3      ARG   6 -36.550   1.750 -13.355
   42    HG3  ARG   6           HG2      ARG   6 -35.609   1.343 -14.788
   43    HD2  ARG   6           HD3      ARG   6 -37.730   2.309 -15.474
   44    HD3  ARG   6           HD2      ARG   6 -37.689   0.605 -15.915
   45    HE   ARG   6           HE       ARG   6 -39.388   0.200 -14.371
   46   HH11  ARG   6          HH11      ARG   6 -41.027   0.926 -12.964
   47   HH12  ARG   6          HH12      ARG   6 -40.957   2.533 -12.318
   48   HH21  ARG   6          HH21      ARG   6 -38.012   3.351 -13.954
   49   HH22  ARG   6          HH22      ARG   6 -39.253   3.902 -12.878
   50    H    ASN   7           H        ASN   7 -32.874  -0.661 -13.850
   51    HA   ASN   7           HA       ASN   7 -31.134   0.826 -14.097
   52    HB2  ASN   7           HB3      ASN   7 -33.043   2.245 -15.046
   53    HB3  ASN   7           HB2      ASN   7 -33.069   3.051 -13.477
   54   HD21  ASN   7          HD21      ASN   7 -32.334   5.042 -14.864
   55   HD22  ASN   7          HD22      ASN   7 -30.674   5.184 -15.181
   56    H    ARG   8           H        ARG   8 -30.565  -0.246 -12.031
   57    HA   ARG   8           HA       ARG   8 -30.997   0.769  -9.486
   58    HB2  ARG   8           HB3      ARG   8 -29.768  -1.374 -10.084
   59    HB3  ARG   8           HB2      ARG   8 -28.359  -0.380 -10.434
   60    HG2  ARG   8           HG3      ARG   8 -27.998  -1.033  -8.209
   61    HG3  ARG   8           HG2      ARG   8 -28.702   0.573  -8.038
   62    HD2  ARG   8           HD3      ARG   8 -30.855  -0.338  -7.484
   63    HD3  ARG   8           HD2      ARG   8 -30.363  -1.962  -7.949
   64    HE   ARG   8           HE       ARG   8 -29.365  -2.192  -5.872
   65   HH11  ARG   8          HH11      ARG   8 -28.861  -1.467  -3.780
   66   HH12  ARG   8          HH12      ARG   8 -28.963   0.220  -3.405
   67   HH21  ARG   8          HH21      ARG   8 -29.982   1.137  -6.590
   68   HH22  ARG   8          HH22      ARG   8 -29.597   1.695  -4.996
   69    H    LEU   9           H        LEU   9 -28.044   1.384 -11.401
   70    HA   LEU   9           HA       LEU   9 -28.086   4.195 -10.722
   71    HB2  LEU   9           HB3      LEU   9 -26.972   2.625  -8.816
   72    HB3  LEU   9           HB2      LEU   9 -25.563   2.848  -9.838
   73    HG   LEU   9           HG       LEU   9 -25.591   4.557  -8.114
   74   HD11  LEU   9          HD11      LEU   9 -24.748   5.257 -10.294
   75   HD12  LEU   9          HD12      LEU   9 -25.566   6.598  -9.501
   76   HD13  LEU   9          HD13      LEU   9 -26.370   5.725 -10.801
   77   HD21  LEU   9          HD21      LEU   9 -27.393   5.854  -7.512
   78   HD22  LEU   9          HD22      LEU   9 -28.263   4.425  -8.056
   79   HD23  LEU   9          HD23      LEU   9 -28.116   5.827  -9.117
   80    H    LEU  10           H        LEU  10 -28.069   2.447 -13.082
   81    HA   LEU  10           HA       LEU  10 -26.769   1.933 -14.990
   82    HB2  LEU  10           HB3      LEU  10 -26.332   4.127 -16.209
   83    HB3  LEU  10           HB2      LEU  10 -27.996   3.789 -15.748
   84    HG   LEU  10           HG       LEU  10 -26.323   5.333 -13.790
   85   HD11  LEU  10          HD11      LEU  10 -27.355   6.467 -16.397
   86   HD12  LEU  10          HD12      LEU  10 -25.701   6.507 -15.786
   87   HD13  LEU  10          HD13      LEU  10 -26.957   7.460 -14.996
   88   HD21  LEU  10          HD21      LEU  10 -28.383   6.297 -13.168
   89   HD22  LEU  10          HD22      LEU  10 -28.824   4.642 -13.571
   90   HD23  LEU  10          HD23      LEU  10 -29.130   5.934 -14.723
   91    H    GLN  11           H        GLN  11 -24.839   0.959 -14.612
   92    HA   GLN  11           HA       GLN  11 -22.546   0.750 -14.385
   93    HB2  GLN  11           HB3      GLN  11 -21.810   1.859 -16.233
   94    HB3  GLN  11           HB2      GLN  11 -23.055   3.087 -16.070
   95    HG2  GLN  11           HG3      GLN  11 -21.668   4.338 -14.490
   96    HG3  GLN  11           HG2      GLN  11 -20.450   3.064 -14.512
   97   HE21  GLN  11          HE21      GLN  11 -20.316   5.984 -15.442
   98   HE22  GLN  11          HE22      GLN  11 -19.753   5.883 -17.039
   99    H    SER  12           H        SER  12 -20.750   1.426 -13.079
  100    HA   SER  12           HA       SER  12 -19.837   2.116 -11.059
  101    HB2  SER  12           HB3      SER  12 -20.064   4.384 -10.505
  102    HB3  SER  12           HB2      SER  12 -20.331   4.354 -12.246
  103    HG   SER  12           HG       SER  12 -21.903   5.543 -10.888
  104    H    ASP  13           H        ASP  13 -20.606   0.534  -9.621
  105    HA   ASP  13           HA       ASP  13 -23.306   0.612  -8.618
  106    HB2  ASP  13           HB3      ASP  13 -22.549  -1.230  -7.146
  107    HB3  ASP  13           HB2      ASP  13 -22.159  -1.528  -8.839
  108    H    TYR  14           H        TYR  14 -23.858   0.893  -6.339
  109    HA   TYR  14           HA       TYR  14 -22.919   3.268  -5.273
  110    HB2  TYR  14           HB3      TYR  14 -25.102   2.165  -4.737
  111    HB3  TYR  14           HB2      TYR  14 -24.217   1.012  -3.743
  112    HD1  TYR  14           HD1      TYR  14 -25.452   4.440  -4.021
  113    HD2  TYR  14           HD2      TYR  14 -23.047   1.753  -1.694
  114    HE1  TYR  14           HE1      TYR  14 -25.474   6.055  -2.129
  115    HE2  TYR  14           HE2      TYR  14 -23.067   3.358   0.193
  116    HH   TYR  14           HH       TYR  14 -24.019   6.565  -0.134
  117    H    MET  15           H        MET  15 -21.355   0.326  -5.309
  118    HA   MET  15           HA       MET  15 -19.870  -0.666  -3.716
  119    HB2  MET  15           HB3      MET  15 -18.711   0.248  -5.701
  120    HB3  MET  15           HB2      MET  15 -18.472   1.770  -4.845
  121    HG2  MET  15           HG3      MET  15 -16.450   0.378  -4.699
  122    HG3  MET  15           HG2      MET  15 -17.166   0.572  -3.106
  123    HE1  MET  15           HE1      MET  15 -17.664  -2.796  -1.825
  124    HE2  MET  15           HE2      MET  15 -18.472  -1.230  -1.818
  125    HE3  MET  15           HE3      MET  15 -16.718  -1.309  -1.668
  126    H    ASN  16           H        ASN  16 -21.140  -0.082  -1.791
  127    HA   ASN  16           HA       ASN  16 -21.130   2.022  -0.147
  128    HB2  ASN  16           HB3      ASN  16 -22.025  -0.192   0.536
  129    HB3  ASN  16           HB2      ASN  16 -20.376  -0.743   0.846
  130   HD21  ASN  16          HD21      ASN  16 -21.252   2.594   1.574
  131   HD22  ASN  16          HD22      ASN  16 -21.250   2.410   3.262
  132    H    MET  17           H        MET  17 -19.860   2.929   1.497
  133    HA   MET  17           HA       MET  17 -17.922   3.598   2.594
  134    HB2  MET  17           HB3      MET  17 -16.307   1.590   0.995
  135    HB3  MET  17           HB2      MET  17 -15.851   2.422   2.464
  136    HG2  MET  17           HG3      MET  17 -16.529   0.538   3.554
  137    HG3  MET  17           HG2      MET  17 -18.170   1.081   3.253
  138    HE1  MET  17           HE1      MET  17 -18.983  -1.097   3.578
  139    HE2  MET  17           HE2      MET  17 -17.554  -2.122   3.632
  140    HE3  MET  17           HE3      MET  17 -18.853  -2.493   2.502
  141    H    THR  18           H        THR  18 -16.924   2.636  -0.684
  142    HA   THR  18           HA       THR  18 -17.046   5.178  -1.807
  143    HB   THR  18           HB       THR  18 -14.926   5.069   0.016
  144    HG1  THR  18           HG1      THR  18 -14.978   7.084  -0.490
  145   HG21  THR  18          HG21      THR  18 -12.891   5.233  -1.283
  146   HG22  THR  18          HG22      THR  18 -13.779   5.002  -2.787
  147   HG23  THR  18          HG23      THR  18 -13.643   3.677  -1.632
  148    HA   PRO  19           HA       PRO  19 -16.285   2.620  -5.322
  149    HB2  PRO  19           HB3      PRO  19 -15.455   4.397  -7.206
  150    HB3  PRO  19           HB2      PRO  19 -17.118   4.395  -6.579
  151    HG2  PRO  19           HG3      PRO  19 -14.808   6.130  -5.792
  152    HG3  PRO  19           HG2      PRO  19 -16.488   6.589  -6.134
  153    HD2  PRO  19           HD3      PRO  19 -15.569   6.274  -3.593
  154    HD3  PRO  19           HD2      PRO  19 -17.247   5.894  -4.044
  155    H    ARG  20           H        ARG  20 -14.674   1.431  -6.328
  156    HA   ARG  20           HA       ARG  20 -12.284   0.918  -5.269
  157    HB2  ARG  20           HB3      ARG  20 -11.452   0.121  -7.411
  158    HB3  ARG  20           HB2      ARG  20 -13.163  -0.264  -7.263
  159    HG2  ARG  20           HG3      ARG  20 -13.758   1.619  -8.713
  160    HG3  ARG  20           HG2      ARG  20 -12.082   2.151  -8.763
  161    HD2  ARG  20           HD3      ARG  20 -11.403   0.182  -9.950
  162    HD3  ARG  20           HD2      ARG  20 -12.973  -0.578  -9.703
  163    HE   ARG  20           HE       ARG  20 -13.710   0.552 -11.574
  164   HH11  ARG  20          HH11      ARG  20 -13.580   2.084 -13.235
  165   HH12  ARG  20          HH12      ARG  20 -12.363   3.315 -13.185
  166   HH21  ARG  20          HH21      ARG  20 -11.005   2.228 -10.187
  167   HH22  ARG  20          HH22      ARG  20 -10.910   3.397 -11.462
  168    H    ARG  21           H        ARG  21 -10.105   1.534  -5.481
  169    HA   ARG  21           HA       ARG  21  -9.729   4.397  -5.861
  170    HB2  ARG  21           HB3      ARG  21  -7.250   3.574  -5.244
  171    HB3  ARG  21           HB2      ARG  21  -8.490   3.768  -4.009
  172    HG2  ARG  21           HG3      ARG  21  -7.297   1.602  -3.813
  173    HG3  ARG  21           HG2      ARG  21  -9.017   1.384  -4.108
  174    HD2  ARG  21           HD3      ARG  21  -8.681   0.680  -6.319
  175    HD3  ARG  21           HD2      ARG  21  -7.104   1.459  -6.437
  176    HE   ARG  21           HE       ARG  21  -7.600  -1.206  -5.564
  177   HH11  ARG  21          HH11      ARG  21  -5.859  -2.378  -4.698
  178   HH12  ARG  21          HH12      ARG  21  -4.444  -1.543  -4.150
  179   HH21  ARG  21          HH21      ARG  21  -5.660   1.602  -4.955
  180   HH22  ARG  21          HH22      ARG  21  -4.334   0.707  -4.293
  181    HA   PRO  22           HA       PRO  22  -8.070   4.005  -9.939
  182    HB2  PRO  22           HB3      PRO  22  -6.310   6.079 -10.071
  183    HB3  PRO  22           HB2      PRO  22  -8.068   6.334  -9.999
  184    HG2  PRO  22           HG3      PRO  22  -6.047   6.485  -7.799
  185    HG3  PRO  22           HG2      PRO  22  -7.392   7.584  -8.162
  186    HD2  PRO  22           HD3      PRO  22  -7.556   5.667  -6.221
  187    HD3  PRO  22           HD2      PRO  22  -8.974   6.200  -7.154
  188    H    GLY  23           H        GLY  23  -6.502   2.780 -10.893
  189    HA2  GLY  23           HA2      GLY  23  -4.504   1.530  -9.295
  190    HA3  GLY  23           HA1      GLY  23  -4.634   1.404 -11.048
  191    H    LEU  24           H        LEU  24  -2.574   2.289  -8.702
  192    HA   LEU  24           HA       LEU  24  -0.839   3.692 -10.468
  193    HB2  LEU  24           HB3      LEU  24  -2.569   5.462  -9.800
  194    HB3  LEU  24           HB2      LEU  24  -1.878   5.360  -8.184
  195    HG   LEU  24           HG       LEU  24   0.423   5.701  -9.495
  196   HD11  LEU  24          HD11      LEU  24   0.195   7.124 -11.454
  197   HD12  LEU  24          HD12      LEU  24  -1.561   7.127 -11.295
  198   HD13  LEU  24          HD13      LEU  24  -0.718   5.645 -11.740
  199   HD21  LEU  24          HD21      LEU  24  -0.300   7.264  -7.818
  200   HD22  LEU  24          HD22      LEU  24  -1.606   7.857  -8.845
  201   HD23  LEU  24          HD23      LEU  24   0.071   8.207  -9.260
  202    H    THR  25           H        THR  25  -0.469   1.428  -9.007
  203    HA   THR  25           HA       THR  25   1.468   2.290  -6.918
  204    HB   THR  25           HB       THR  25   1.004   0.132  -5.758
  205    HG1  THR  25           HG1      THR  25  -1.134  -0.009  -7.613
  206   HG21  THR  25          HG21      THR  25  -1.173   2.186  -6.106
  207   HG22  THR  25          HG22      THR  25  -0.178   1.839  -4.690
  208   HG23  THR  25          HG23      THR  25  -1.483   0.745  -5.141
  209    H    ARG  26           H        ARG  26   0.759  -0.885  -8.285
  210    HA   ARG  26           HA       ARG  26   2.315  -2.488  -8.969
  211    HB2  ARG  26           HB3      ARG  26   3.240  -1.767 -11.254
  212    HB3  ARG  26           HB2      ARG  26   1.489  -1.793 -11.065
  213    HG2  ARG  26           HG3      ARG  26   1.446   0.612 -10.690
  214    HG3  ARG  26           HG2      ARG  26   3.209   0.684 -10.736
  215    HD2  ARG  26           HD3      ARG  26   1.448  -0.241 -13.025
  216    HD3  ARG  26           HD2      ARG  26   2.167   1.364 -12.896
  217    HE   ARG  26           HE       ARG  26   3.537  -1.098 -13.599
  218   HH11  ARG  26          HH11      ARG  26   5.717  -0.845 -14.196
  219   HH12  ARG  26          HH12      ARG  26   6.532   0.646 -13.862
  220   HH21  ARG  26          HH21      ARG  26   3.768   2.134 -12.387
  221   HH22  ARG  26          HH22      ARG  26   5.429   2.332 -12.839
  222    H    LYS  27           H        LYS  27   3.654  -1.839  -6.978
  223    HA   LYS  27           HA       LYS  27   5.687  -1.517  -6.025
  224    HB2  LYS  27           HB3      LYS  27   7.237  -2.788  -7.110
  225    HB3  LYS  27           HB2      LYS  27   6.104  -2.876  -8.452
  226    HG2  LYS  27           HG3      LYS  27   7.120  -0.757  -9.368
  227    HG3  LYS  27           HG2      LYS  27   8.315  -0.834  -8.078
  228    HD2  LYS  27           HD3      LYS  27   9.467  -1.953  -9.761
  229    HD3  LYS  27           HD2      LYS  27   8.660  -3.314  -8.987
  230    HE2  LYS  27           HE3      LYS  27   8.357  -3.473 -11.400
  231    HE3  LYS  27           HE2      LYS  27   6.805  -3.099 -10.656
  232    HZ1  LYS  27           HZ1      LYS  27   8.644  -1.079 -11.823
  233    HZ2  LYS  27           HZ2      LYS  27   7.086  -0.797 -11.206
  234    HZ3  LYS  27           HZ3      LYS  27   7.289  -1.722 -12.616
  235    HA   PRO  28           HA       PRO  28   6.475   2.795  -6.432
  236    HB2  PRO  28           HB3      PRO  28   9.024   3.056  -5.432
  237    HB3  PRO  28           HB2      PRO  28   7.605   2.737  -4.416
  238    HG2  PRO  28           HG3      PRO  28   9.665   0.834  -5.428
  239    HG3  PRO  28           HG2      PRO  28   8.900   0.915  -3.833
  240    HD2  PRO  28           HD3      PRO  28   8.132  -0.889  -5.737
  241    HD3  PRO  28           HD2      PRO  28   7.000  -0.225  -4.535
  242    H    TYR  29           H        TYR  29   7.262   0.944  -8.709
  243    HA   TYR  29           HA       TYR  29   8.421   0.954 -10.702
  244    HB2  TYR  29           HB3      TYR  29   8.662   3.274 -11.718
  245    HB3  TYR  29           HB2      TYR  29   7.033   2.785 -11.264
  246    HD1  TYR  29           HD1      TYR  29   9.925   4.905 -10.327
  247    HD2  TYR  29           HD2      TYR  29   5.846   3.872  -9.469
  248    HE1  TYR  29           HE1      TYR  29   9.734   6.890  -8.858
  249    HE2  TYR  29           HE2      TYR  29   5.655   5.861  -7.999
  250    HH   TYR  29           HH       TYR  29   7.281   8.348  -8.051
  251    H    GLN  30           H        GLN  30  10.426   0.505 -11.236
  252    HA   GLN  30           HA       GLN  30  12.712   0.181 -10.704
  253    HB2  GLN  30           HB3      GLN  30  14.012   1.897 -11.771
  254    HB3  GLN  30           HB2      GLN  30  12.519   1.703 -12.678
  255    HG2  GLN  30           HG3      GLN  30  11.792   3.680 -10.914
  256    HG3  GLN  30           HG2      GLN  30  13.495   4.038 -11.102
  257   HE21  GLN  30          HE21      GLN  30  13.087   5.987 -12.336
  258   HE22  GLN  30          HE22      GLN  30  12.475   5.931 -13.919
  259    HA   PRO  31           HA       PRO  31  12.345   1.958  -6.403
  260    HB2  PRO  31           HB3      PRO  31  14.030  -0.495  -6.027
  261    HB3  PRO  31           HB2      PRO  31  12.700   0.122  -5.026
  262    HG2  PRO  31           HG3      PRO  31  12.332  -1.942  -6.657
  263    HG3  PRO  31           HG2      PRO  31  11.073  -0.713  -6.445
  264    HD2  PRO  31           HD3      PRO  31  12.918  -1.134  -8.762
  265    HD3  PRO  31           HD2      PRO  31  11.248  -0.520  -8.746
  266    H    TYR  32           H        TYR  32  15.226   0.528  -7.896
  267    HA   TYR  32           HA       TYR  32  17.465   1.090  -7.778
  268    HB2  TYR  32           HB3      TYR  32  17.889   3.142  -8.737
  269    HB3  TYR  32           HB2      TYR  32  16.163   3.038  -9.052
  270    HD1  TYR  32           HD1      TYR  32  14.606   4.547  -7.997
  271    HD2  TYR  32           HD2      TYR  32  18.739   4.508  -6.821
  272    HE1  TYR  32           HE1      TYR  32  14.265   6.645  -6.713
  273    HE2  TYR  32           HE2      TYR  32  18.397   6.602  -5.542
  274    HH   TYR  32           HH       TYR  32  15.815   8.602  -5.946
  275    H    ALA  33           H        ALA  33  18.612   0.657  -6.020
  276    HA   ALA  33           HA       ALA  33  18.820   2.627  -3.896
  277    HB1  ALA  33           HB1      ALA  33  17.956  -0.164  -3.136
  278    HB2  ALA  33           HB2      ALA  33  16.818   1.172  -3.306
  279    HB3  ALA  33           HB3      ALA  33  18.097   1.252  -2.095
  280    HA   PRO  34           HA       PRO  34  22.614   0.064  -5.106
  281    HB2  PRO  34           HB3      PRO  34  23.743   2.818  -4.733
  282    HB3  PRO  34           HB2      PRO  34  24.127   1.599  -5.964
  283    HG2  PRO  34           HG3      PRO  34  22.628   3.698  -6.568
  284    HG3  PRO  34           HG2      PRO  34  22.242   2.095  -7.224
  285    HD2  PRO  34           HD3      PRO  34  20.895   3.595  -5.000
  286    HD3  PRO  34           HD2      PRO  34  20.183   2.538  -6.242
  287    H    ALA  35           H        ALA  35  22.107  -0.849  -2.979
  288    HA   ALA  35           HA       ALA  35  23.146   0.510  -0.621
  289    HB1  ALA  35           HB1      ALA  35  21.150  -0.877  -0.322
  290    HB2  ALA  35           HB2      ALA  35  22.485  -1.509   0.633
  291    HB3  ALA  35           HB3      ALA  35  22.027  -2.308  -0.867
  292    H    ARG  36           H        ARG  36  23.794  -2.813  -1.775
  293    HA   ARG  36           HA       ARG  36  25.770  -3.992  -0.991
  294    HB2  ARG  36           HB3      ARG  36  27.340  -3.681  -3.030
  295    HB3  ARG  36           HB2      ARG  36  25.725  -4.301  -3.302
  296    HG2  ARG  36           HG3      ARG  36  25.957  -2.684  -4.989
  297    HG3  ARG  36           HG2      ARG  36  25.059  -1.818  -3.757
  298    HD2  ARG  36           HD3      ARG  36  28.072  -1.685  -3.852
  299    HD3  ARG  36           HD2      ARG  36  27.077  -0.625  -4.842
  300    HE   ARG  36           HE       ARG  36  26.350  -0.655  -2.049
  301   HH11  ARG  36          HH11      ARG  36  26.743   1.298  -0.915
  302   HH12  ARG  36          HH12      ARG  36  27.725   2.525  -1.645
  303   HH21  ARG  36          HH21      ARG  36  28.304   0.719  -4.545
  304   HH22  ARG  36          HH22      ARG  36  28.607   2.197  -3.695
  305    H    ASP  37           H        ASP  37  26.003  -2.258   0.839
  306    HA   ASP  37           HA       ASP  37  27.635  -0.160   1.027
  307    HB2  ASP  37           HB3      ASP  37  26.695  -1.226   3.010
  308    HB3  ASP  37           HB2      ASP  37  27.830  -2.568   2.845
  309    H    PHE  38           H        PHE  38  29.425  -2.884   2.147
  310    HA   PHE  38           HA       PHE  38  31.263  -3.190   0.052
  311    HB2  PHE  38           HB3      PHE  38  31.618  -0.684   1.207
  312    HB3  PHE  38           HB2      PHE  38  32.795  -1.651   2.078
  313    HD1  PHE  38           HD1      PHE  38  31.949  -0.065  -1.073
  314    HD2  PHE  38           HD2      PHE  38  34.524  -2.973   0.771
  315    HE1  PHE  38           HE1      PHE  38  33.463   0.027  -3.034
  316    HE2  PHE  38           HE2      PHE  38  36.036  -2.875  -1.193
  317    HZ   PHE  38           HZ       PHE  38  35.505  -1.375  -3.095
  318    H    ALA  39           H        ALA  39  29.864  -4.463   2.414
  319    HA   ALA  39           HA       ALA  39  30.259  -6.176   3.916
  320    HB1  ALA  39           HB1      ALA  39  32.746  -6.454   2.209
  321    HB2  ALA  39           HB2      ALA  39  31.226  -7.330   2.025
  322    HB3  ALA  39           HB3      ALA  39  32.244  -7.618   3.435
  323    H    ALA  40           H        ALA  40  30.720  -3.787   4.940
  324    HA   ALA  40           HA       ALA  40  31.930  -2.518   6.466
  325    HB1  ALA  40           HB1      ALA  40  31.021  -4.067   7.995
  326    HB2  ALA  40           HB2      ALA  40  32.736  -4.001   8.400
  327    HB3  ALA  40           HB3      ALA  40  32.101  -5.356   7.465
  328    H    TYR  41           H        TYR  41  33.476  -3.062   4.155
  329    HA   TYR  41           HA       TYR  41  35.684  -3.195   3.378
  330    HB2  TYR  41           HB3      TYR  41  35.584  -0.984   4.499
  331    HB3  TYR  41           HB2      TYR  41  36.141  -1.734   5.995
  332    HD1  TYR  41           HD1      TYR  41  37.056  -1.276   2.395
  333    HD2  TYR  41           HD2      TYR  41  38.451  -2.034   6.387
  334    HE1  TYR  41           HE1      TYR  41  39.401  -1.075   1.614
  335    HE2  TYR  41           HE2      TYR  41  40.796  -1.833   5.604
  336    HH   TYR  41           HH       TYR  41  41.978  -2.182   3.228
  337    H    ARG  42           H        ARG  42  34.690  -5.245   5.479
  338    HA   ARG  42           HA       ARG  42  36.630  -6.169   7.170
  339    HB2  ARG  42           HB3      ARG  42  34.615  -7.614   5.471
  340    HB3  ARG  42           HB2      ARG  42  35.882  -8.582   6.201
  341    HG2  ARG  42           HG3      ARG  42  35.273  -7.915   8.412
  342    HG3  ARG  42           HG2      ARG  42  34.209  -6.642   7.818
  343    HD2  ARG  42           HD3      ARG  42  32.660  -8.250   6.918
  344    HD3  ARG  42           HD2      ARG  42  33.779  -9.577   7.217
  345    HE   ARG  42           HE       ARG  42  31.976  -8.425   9.118
  346   HH11  ARG  42          HH11      ARG  42  32.109  -9.186  11.255
  347   HH12  ARG  42          HH12      ARG  42  33.517 -10.052  11.773
  348   HH21  ARG  42          HH21      ARG  42  35.110  -9.829   8.701
  349   HH22  ARG  42          HH22      ARG  42  35.217 -10.415  10.328
  350    HA   PRO  43           HA       PRO  43  40.491  -7.175   5.288
  351    HB2  PRO  43           HB3      PRO  43  39.696 -10.039   5.792
  352    HB3  PRO  43           HB2      PRO  43  41.278  -9.262   6.021
  353    HG2  PRO  43           HG3      PRO  43  39.645  -9.662   8.084
  354    HG3  PRO  43           HG2      PRO  43  40.617  -8.181   7.956
  355    HD2  PRO  43           HD3      PRO  43  37.683  -8.512   7.645
  356    HD3  PRO  43           HD2      PRO  43  38.616  -7.047   8.026
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1 -38.144   7.366  -8.573
    2    H2   GLY   1           H2       GLY   1 -38.155   6.679 -10.126
    3    H3   GLY   1           H3       GLY   1 -36.687   7.157  -9.416
    4    HA2  GLY   1           HA2      GLY   1 -36.608   5.380  -7.985
    5    HA3  GLY   1           HA1      GLY   1 -38.356   5.155  -8.056
    6    H    THR   2           H        THR   2 -38.537   3.090  -8.795
    7    HA   THR   2           HA       THR   2 -38.586   1.356 -10.298
    8    HB   THR   2           HB       THR   2 -38.671   1.865 -12.572
    9    HG1  THR   2           HG1      THR   2 -37.194   4.207 -12.422
   10   HG21  THR   2          HG21      THR   2 -38.958   4.716 -11.697
   11   HG22  THR   2          HG22      THR   2 -40.026   3.522 -10.957
   12   HG23  THR   2          HG23      THR   2 -40.027   3.745 -12.706
   13    H    ASN   3           H        ASN   3 -37.204  -0.286 -11.082
   14    HA   ASN   3           HA       ASN   3 -34.466  -0.072 -10.203
   15    HB2  ASN   3           HB3      ASN   3 -35.780  -2.301 -11.805
   16    HB3  ASN   3           HB2      ASN   3 -34.247  -2.391 -10.937
   17   HD21  ASN   3          HD21      ASN   3 -37.391  -0.950  -9.914
   18   HD22  ASN   3          HD22      ASN   3 -37.530  -1.905  -8.520
   19    H    SER   4           H        SER   4 -34.313  -1.880 -13.014
   20    HA   SER   4           HA       SER   4 -33.038  -1.545 -14.925
   21    HB2  SER   4           HB3      SER   4 -33.934   0.094 -16.411
   22    HB3  SER   4           HB2      SER   4 -35.292  -0.517 -15.471
   23    HG   SER   4           HG       SER   4 -33.807   1.728 -14.629
   24    H    ARG   5           H        ARG   5 -31.620  -0.852 -12.678
   25    HA   ARG   5           HA       ARG   5 -30.625   1.751 -12.535
   26    HB2  ARG   5           HB3      ARG   5 -29.243  -0.878 -11.952
   27    HB3  ARG   5           HB2      ARG   5 -28.554   0.695 -11.560
   28    HG2  ARG   5           HG3      ARG   5 -30.540   1.224 -10.187
   29    HG3  ARG   5           HG2      ARG   5 -31.220  -0.357 -10.558
   30    HD2  ARG   5           HD3      ARG   5 -29.142  -1.389  -9.556
   31    HD3  ARG   5           HD2      ARG   5 -28.671   0.224  -9.029
   32    HE   ARG   5           HE       ARG   5 -30.779  -1.423  -7.898
   33   HH11  ARG   5          HH11      ARG   5 -31.809  -0.558  -6.064
   34   HH12  ARG   5          HH12      ARG   5 -31.560   1.103  -5.637
   35   HH21  ARG   5          HH21      ARG   5 -29.429   1.743  -8.297
   36   HH22  ARG   5          HH22      ARG   5 -30.212   2.403  -6.901
   37    H    ARG   6           H        ARG   6 -29.363  -0.977 -14.489
   38    HA   ARG   6           HA       ARG   6 -27.823  -1.089 -16.163
   39    HB2  ARG   6           HB3      ARG   6 -28.280   0.376 -18.080
   40    HB3  ARG   6           HB2      ARG   6 -29.762  -0.273 -17.389
   41    HG2  ARG   6           HG3      ARG   6 -30.245   1.823 -16.288
   42    HG3  ARG   6           HG2      ARG   6 -28.673   2.483 -16.736
   43    HD2  ARG   6           HD3      ARG   6 -30.316   3.360 -18.273
   44    HD3  ARG   6           HD2      ARG   6 -29.350   2.176 -19.149
   45    HE   ARG   6           HE       ARG   6 -31.229   0.785 -19.275
   46   HH11  ARG   6          HH11      ARG   6 -33.482   0.475 -19.118
   47   HH12  ARG   6          HH12      ARG   6 -34.423   1.510 -18.098
   48   HH21  ARG   6          HH21      ARG   6 -31.713   3.406 -17.064
   49   HH22  ARG   6          HH22      ARG   6 -33.424   3.166 -16.937
   50    H    ASN   7           H        ASN   7 -25.737  -0.619 -16.621
   51    HA   ASN   7           HA       ASN   7 -23.663   0.312 -16.136
   52    HB2  ASN   7           HB3      ASN   7 -23.492   2.688 -16.931
   53    HB3  ASN   7           HB2      ASN   7 -24.252   1.600 -18.086
   54   HD21  ASN   7          HD21      ASN   7 -25.028   4.191 -15.693
   55   HD22  ASN   7          HD22      ASN   7 -26.552   4.528 -16.357
   56    H    ARG   8           H        ARG   8 -24.215  -0.157 -13.809
   57    HA   ARG   8           HA       ARG   8 -25.292   1.521 -11.959
   58    HB2  ARG   8           HB3      ARG   8 -23.976  -0.765 -11.615
   59    HB3  ARG   8           HB2      ARG   8 -22.631   0.302 -11.242
   60    HG2  ARG   8           HG3      ARG   8 -23.644  -0.092  -9.140
   61    HG3  ARG   8           HG2      ARG   8 -24.248   1.490  -9.615
   62    HD2  ARG   8           HD3      ARG   8 -26.392   0.661 -10.118
   63    HD3  ARG   8           HD2      ARG   8 -25.823  -0.994 -10.300
   64    HE   ARG   8           HE       ARG   8 -26.148  -1.272  -8.031
   65   HH11  ARG   8          HH11      ARG   8 -26.613  -0.567  -5.919
   66   HH12  ARG   8          HH12      ARG   8 -26.628   1.128  -5.562
   67   HH21  ARG   8          HH21      ARG   8 -25.846   2.083  -8.804
   68   HH22  ARG   8          HH22      ARG   8 -26.195   2.629  -7.197
   69    H    LEU   9           H        LEU   9 -21.962   1.727 -13.195
   70    HA   LEU   9           HA       LEU   9 -21.936   4.553 -13.116
   71    HB2  LEU   9           HB3      LEU   9 -21.695   3.678 -10.592
   72    HB3  LEU   9           HB2      LEU   9 -20.010   3.525 -11.061
   73    HG   LEU   9           HG       LEU   9 -20.384   5.700 -10.028
   74   HD11  LEU   9          HD11      LEU   9 -18.746   5.657 -11.837
   75   HD12  LEU   9          HD12      LEU   9 -19.585   7.200 -11.809
   76   HD13  LEU   9          HD13      LEU   9 -20.012   5.994 -13.019
   77   HD21  LEU   9          HD21      LEU   9 -22.073   7.173 -10.537
   78   HD22  LEU   9          HD22      LEU   9 -22.897   5.672 -10.940
   79   HD23  LEU   9          HD23      LEU   9 -22.193   6.657 -12.218
   80    H    LEU  10           H        LEU  10 -21.289   2.467 -14.945
   81    HA   LEU  10           HA       LEU  10 -19.436   1.474 -16.092
   82    HB2  LEU  10           HB3      LEU  10 -18.360   3.397 -17.407
   83    HB3  LEU  10           HB2      LEU  10 -20.095   3.172 -17.577
   84    HG   LEU  10           HG       LEU  10 -19.189   5.021 -15.395
   85   HD11  LEU  10          HD11      LEU  10 -17.714   5.803 -17.119
   86   HD12  LEU  10          HD12      LEU  10 -19.078   6.916 -17.061
   87   HD13  LEU  10          HD13      LEU  10 -18.986   5.702 -18.336
   88   HD21  LEU  10          HD21      LEU  10 -21.321   5.557 -17.463
   89   HD22  LEU  10          HD22      LEU  10 -21.249   6.084 -15.782
   90   HD23  LEU  10          HD23      LEU  10 -21.630   4.410 -16.164
   91    H    GLN  11           H        GLN  11 -17.858   0.555 -14.824
   92    HA   GLN  11           HA       GLN  11 -15.769   0.362 -13.844
   93    HB2  GLN  11           HB3      GLN  11 -14.235   1.401 -15.165
   94    HB3  GLN  11           HB2      GLN  11 -15.479   2.459 -15.802
   95    HG2  GLN  11           HG3      GLN  11 -15.107   4.024 -13.918
   96    HG3  GLN  11           HG2      GLN  11 -13.860   2.954 -13.281
   97   HE21  GLN  11          HE21      GLN  11 -13.659   5.788 -14.399
   98   HE22  GLN  11          HE22      GLN  11 -12.482   5.681 -15.617
   99    H    SER  12           H        SER  12 -14.727   0.975 -11.923
  100    HA   SER  12           HA       SER  12 -14.658   1.771  -9.746
  101    HB2  SER  12           HB3      SER  12 -14.775   4.088  -9.473
  102    HB3  SER  12           HB2      SER  12 -14.382   3.919 -11.181
  103    HG   SER  12           HG       SER  12 -16.137   5.387 -10.693
  104    H    ASP  13           H        ASP  13 -16.158   0.292  -8.845
  105    HA   ASP  13           HA       ASP  13 -18.986   0.552  -8.979
  106    HB2  ASP  13           HB3      ASP  13 -17.936  -1.568  -8.319
  107    HB3  ASP  13           HB2      ASP  13 -17.299  -0.810  -6.857
  108    H    TYR  14           H        TYR  14 -20.481   1.370  -7.490
  109    HA   TYR  14           HA       TYR  14 -19.812   3.765  -6.242
  110    HB2  TYR  14           HB3      TYR  14 -22.096   3.109  -7.024
  111    HB3  TYR  14           HB2      TYR  14 -22.194   2.007  -5.651
  112    HD1  TYR  14           HD1      TYR  14 -22.277   5.495  -6.738
  113    HD2  TYR  14           HD2      TYR  14 -22.223   2.873  -3.340
  114    HE1  TYR  14           HE1      TYR  14 -22.957   7.379  -5.270
  115    HE2  TYR  14           HE2      TYR  14 -22.902   4.746  -1.873
  116    HH   TYR  14           HH       TYR  14 -22.972   8.038  -3.018
  117    H    MET  15           H        MET  15 -19.216   0.638  -5.186
  118    HA   MET  15           HA       MET  15 -19.174  -0.241  -2.948
  119    HB2  MET  15           HB3      MET  15 -16.935  -0.040  -3.933
  120    HB3  MET  15           HB2      MET  15 -16.800   1.595  -3.302
  121    HG2  MET  15           HG3      MET  15 -15.625  -0.018  -1.849
  122    HG3  MET  15           HG2      MET  15 -16.955   0.742  -0.994
  123    HE1  MET  15           HE1      MET  15 -17.414  -0.778   0.798
  124    HE2  MET  15           HE2      MET  15 -18.540  -2.116   0.581
  125    HE3  MET  15           HE3      MET  15 -18.973  -0.505   0.007
  126    H    ASN  16           H        ASN  16 -21.020   0.832  -2.026
  127    HA   ASN  16           HA       ASN  16 -21.453   3.190  -0.879
  128    HB2  ASN  16           HB3      ASN  16 -22.904   1.187  -0.455
  129    HB3  ASN  16           HB2      ASN  16 -21.749   0.662   0.773
  130   HD21  ASN  16          HD21      ASN  16 -22.112   4.104   0.524
  131   HD22  ASN  16          HD22      ASN  16 -23.112   4.305   1.880
  132    H    MET  17           H        MET  17 -20.920   4.380   0.912
  133    HA   MET  17           HA       MET  17 -19.692   5.072   2.776
  134    HB2  MET  17           HB3      MET  17 -17.813   2.710   2.460
  135    HB3  MET  17           HB2      MET  17 -18.004   3.767   3.841
  136    HG2  MET  17           HG3      MET  17 -19.509   2.311   4.728
  137    HG3  MET  17           HG2      MET  17 -20.589   2.628   3.385
  138    HE1  MET  17           HE1      MET  17 -20.699  -0.514   4.667
  139    HE2  MET  17           HE2      MET  17 -21.139  -0.962   3.020
  140    HE3  MET  17           HE3      MET  17 -21.651   0.591   3.668
  141    H    THR  18           H        THR  18 -17.977   3.729  -0.026
  142    HA   THR  18           HA       THR  18 -16.996   6.163  -0.903
  143    HB   THR  18           HB       THR  18 -15.471   5.031   1.311
  144    HG1  THR  18           HG1      THR  18 -14.832   7.137   1.442
  145   HG21  THR  18          HG21      THR  18 -13.232   5.647   0.360
  146   HG22  THR  18          HG22      THR  18 -13.981   5.728  -1.235
  147   HG23  THR  18          HG23      THR  18 -13.930   4.197  -0.362
  148    HA   PRO  19           HA       PRO  19 -16.259   3.512  -4.470
  149    HB2  PRO  19           HB3      PRO  19 -13.901   5.271  -5.041
  150    HB3  PRO  19           HB2      PRO  19 -15.232   4.790  -6.109
  151    HG2  PRO  19           HG3      PRO  19 -15.069   7.240  -5.002
  152    HG3  PRO  19           HG2      PRO  19 -16.613   6.443  -5.352
  153    HD2  PRO  19           HD3      PRO  19 -15.336   6.951  -2.716
  154    HD3  PRO  19           HD2      PRO  19 -17.045   6.669  -3.124
  155    H    ARG  20           H        ARG  20 -15.046   1.689  -4.798
  156    HA   ARG  20           HA       ARG  20 -13.469   0.454  -3.010
  157    HB2  ARG  20           HB3      ARG  20 -12.306  -0.750  -4.863
  158    HB3  ARG  20           HB2      ARG  20 -14.056  -0.697  -5.057
  159    HG2  ARG  20           HG3      ARG  20 -13.950   0.671  -6.920
  160    HG3  ARG  20           HG2      ARG  20 -12.544   1.554  -6.326
  161    HD2  ARG  20           HD3      ARG  20 -11.052  -0.176  -7.014
  162    HD3  ARG  20           HD2      ARG  20 -12.374  -1.309  -7.285
  163    HE   ARG  20           HE       ARG  20 -12.615  -0.388  -9.390
  164   HH11  ARG  20          HH11      ARG  20 -12.263   1.165 -11.010
  165   HH12  ARG  20          HH12      ARG  20 -11.460   2.650 -10.618
  166   HH21  ARG  20          HH21      ARG  20 -11.027   1.848  -7.274
  167   HH22  ARG  20          HH22      ARG  20 -10.762   3.034  -8.507
  168    H    ARG  21           H        ARG  21 -11.281   0.278  -2.467
  169    HA   ARG  21           HA       ARG  21  -9.784   2.497  -2.072
  170    HB2  ARG  21           HB3      ARG  21  -7.729   0.819  -2.369
  171    HB3  ARG  21           HB2      ARG  21  -8.855   0.647  -1.027
  172    HG2  ARG  21           HG3      ARG  21  -8.431  -1.516  -2.143
  173    HG3  ARG  21           HG2      ARG  21 -10.122  -1.048  -2.283
  174    HD2  ARG  21           HD3      ARG  21  -9.935  -0.567  -4.559
  175    HD3  ARG  21           HD2      ARG  21  -8.202  -0.264  -4.461
  176    HE   ARG  21           HE       ARG  21  -9.441  -2.772  -5.000
  177   HH11  ARG  21          HH11      ARG  21  -8.095  -4.605  -5.103
  178   HH12  ARG  21          HH12      ARG  21  -6.509  -4.547  -4.409
  179   HH21  ARG  21          HH21      ARG  21  -6.808  -1.263  -3.340
  180   HH22  ARG  21          HH22      ARG  21  -5.781  -2.656  -3.413
  181    HA   PRO  22           HA       PRO  22  -8.354   3.934  -5.998
  182    HB2  PRO  22           HB3      PRO  22  -5.981   5.124  -5.380
  183    HB3  PRO  22           HB2      PRO  22  -7.542   5.789  -4.850
  184    HG2  PRO  22           HG3      PRO  22  -5.613   4.079  -3.334
  185    HG3  PRO  22           HG2      PRO  22  -6.442   5.559  -2.814
  186    HD2  PRO  22           HD3      PRO  22  -7.344   3.100  -2.103
  187    HD3  PRO  22           HD2      PRO  22  -8.461   4.449  -2.417
  188    H    GLY  23           H        GLY  23  -7.837   2.383  -7.433
  189    HA2  GLY  23           HA2      GLY  23  -6.011   0.289  -7.125
  190    HA3  GLY  23           HA1      GLY  23  -6.535   0.922  -8.686
  191    H    LEU  24           H        LEU  24  -3.990   0.706  -6.440
  192    HA   LEU  24           HA       LEU  24  -2.364   2.682  -7.954
  193    HB2  LEU  24           HB3      LEU  24  -2.193   1.766  -5.070
  194    HB3  LEU  24           HB2      LEU  24  -0.841   2.549  -5.877
  195    HG   LEU  24           HG       LEU  24  -3.547   3.859  -6.054
  196   HD11  LEU  24          HD11      LEU  24  -3.023   5.098  -3.938
  197   HD12  LEU  24          HD12      LEU  24  -1.718   3.951  -3.637
  198   HD13  LEU  24          HD13      LEU  24  -3.389   3.392  -3.682
  199   HD21  LEU  24          HD21      LEU  24  -1.364   4.648  -7.216
  200   HD22  LEU  24          HD22      LEU  24  -0.834   5.125  -5.607
  201   HD23  LEU  24          HD23      LEU  24  -2.278   5.851  -6.309
  202    H    THR  25           H        THR  25  -2.985  -0.186  -8.540
  203    HA   THR  25           HA       THR  25  -0.326  -1.443  -8.303
  204    HB   THR  25           HB       THR  25  -1.568  -3.400  -9.446
  205    HG1  THR  25           HG1      THR  25  -3.640  -1.572  -8.931
  206   HG21  THR  25          HG21      THR  25  -2.223  -2.407  -6.660
  207   HG22  THR  25          HG22      THR  25  -1.160  -3.730  -7.144
  208   HG23  THR  25          HG23      THR  25  -2.904  -3.908  -7.284
  209    H    ARG  26           H        ARG  26  -2.688  -0.709 -10.876
  210    HA   ARG  26           HA       ARG  26  -1.270  -1.482 -13.096
  211    HB2  ARG  26           HB3      ARG  26  -2.430   0.365 -14.328
  212    HB3  ARG  26           HB2      ARG  26  -3.518  -0.611 -13.343
  213    HG2  ARG  26           HG3      ARG  26  -3.382   1.087 -11.537
  214    HG3  ARG  26           HG2      ARG  26  -2.324   2.067 -12.553
  215    HD2  ARG  26           HD3      ARG  26  -4.547   2.943 -12.813
  216    HD3  ARG  26           HD2      ARG  26  -4.157   2.074 -14.292
  217    HE   ARG  26           HE       ARG  26  -5.756   0.453 -13.729
  218   HH11  ARG  26          HH11      ARG  26  -7.564  -0.214 -12.517
  219   HH12  ARG  26          HH12      ARG  26  -7.907   0.542 -10.996
  220   HH21  ARG  26          HH21      ARG  26  -5.188   2.686 -11.145
  221   HH22  ARG  26          HH22      ARG  26  -6.563   2.183 -10.220
  222    H    LYS  27           H        LYS  27   0.182  -0.492 -14.517
  223    HA   LYS  27           HA       LYS  27   1.989   0.725 -15.137
  224    HB2  LYS  27           HB3      LYS  27   0.165   2.555 -14.416
  225    HB3  LYS  27           HB2      LYS  27   1.365   2.914 -13.189
  226    HG2  LYS  27           HG3      LYS  27   2.962   3.623 -14.749
  227    HG3  LYS  27           HG2      LYS  27   2.251   2.711 -16.071
  228    HD2  LYS  27           HD3      LYS  27   0.682   4.946 -14.798
  229    HD3  LYS  27           HD2      LYS  27   1.926   5.315 -15.989
  230    HE2  LYS  27           HE3      LYS  27   0.824   3.816 -17.611
  231    HE3  LYS  27           HE2      LYS  27  -0.427   3.443 -16.430
  232    HZ1  LYS  27           HZ1      LYS  27  -1.416   5.422 -16.708
  233    HZ2  LYS  27           HZ2      LYS  27  -0.621   5.412 -18.209
  234    HZ3  LYS  27           HZ3      LYS  27   0.043   6.265 -16.898
  235    HA   PRO  28           HA       PRO  28   4.796  -0.438 -11.826
  236    HB2  PRO  28           HB3      PRO  28   7.187   0.142 -12.959
  237    HB3  PRO  28           HB2      PRO  28   6.181  -1.202 -13.545
  238    HG2  PRO  28           HG3      PRO  28   6.434   1.576 -14.635
  239    HG3  PRO  28           HG2      PRO  28   6.473   0.025 -15.499
  240    HD2  PRO  28           HD3      PRO  28   4.218   1.553 -15.370
  241    HD3  PRO  28           HD2      PRO  28   4.157  -0.228 -15.434
  242    H    TYR  29           H        TYR  29   6.080   0.536 -10.191
  243    HA   TYR  29           HA       TYR  29   6.055   3.502 -10.187
  244    HB2  TYR  29           HB3      TYR  29   4.624   2.296  -8.461
  245    HB3  TYR  29           HB2      TYR  29   6.129   1.712  -7.748
  246    HD1  TYR  29           HD1      TYR  29   7.553   3.164  -6.466
  247    HD2  TYR  29           HD2      TYR  29   4.186   4.763  -8.605
  248    HE1  TYR  29           HE1      TYR  29   7.835   5.335  -5.295
  249    HE2  TYR  29           HE2      TYR  29   4.469   6.929  -7.432
  250    HH   TYR  29           HH       TYR  29   6.331   8.173  -6.300
  251    H    GLN  30           H        GLN  30   8.051   0.899 -10.577
  252    HA   GLN  30           HA       GLN  30  10.279   0.419  -9.899
  253    HB2  GLN  30           HB3      GLN  30  11.787   1.799 -11.168
  254    HB3  GLN  30           HB2      GLN  30  10.323   1.557 -12.112
  255    HG2  GLN  30           HG3      GLN  30   9.721   3.893 -10.747
  256    HG3  GLN  30           HG2      GLN  30  11.453   4.063 -10.977
  257   HE21  GLN  30          HE21      GLN  30   9.460   5.712 -12.320
  258   HE22  GLN  30          HE22      GLN  30   9.589   5.396 -13.983
  259    HA   PRO  31           HA       PRO  31  10.106   3.160  -6.103
  260    HB2  PRO  31           HB3      PRO  31  11.041   0.538  -4.994
  261    HB3  PRO  31           HB2      PRO  31   9.855   1.682  -4.334
  262    HG2  PRO  31           HG3      PRO  31   9.065  -0.573  -5.495
  263    HG3  PRO  31           HG2      PRO  31   8.161   0.936  -5.730
  264    HD2  PRO  31           HD3      PRO  31  10.018  -0.465  -7.625
  265    HD3  PRO  31           HD2      PRO  31   8.536   0.456  -7.971
  266    H    TYR  32           H        TYR  32  12.527   0.970  -7.388
  267    HA   TYR  32           HA       TYR  32  14.847   0.927  -7.176
  268    HB2  TYR  32           HB3      TYR  32  15.784   2.702  -8.344
  269    HB3  TYR  32           HB2      TYR  32  14.092   2.878  -8.790
  270    HD1  TYR  32           HD1      TYR  32  12.689   4.644  -7.723
  271    HD2  TYR  32           HD2      TYR  32  16.894   4.296  -6.929
  272    HE1  TYR  32           HE1      TYR  32  12.686   6.908  -6.719
  273    HE2  TYR  32           HE2      TYR  32  16.893   6.564  -5.925
  274    HH   TYR  32           HH       TYR  32  14.289   8.722  -6.261
  275    H    ALA  33           H        ALA  33  15.595   0.400  -5.225
  276    HA   ALA  33           HA       ALA  33  15.744   2.465  -3.095
  277    HB1  ALA  33           HB1      ALA  33  15.791   0.685  -1.512
  278    HB2  ALA  33           HB2      ALA  33  16.078  -0.518  -2.767
  279    HB3  ALA  33           HB3      ALA  33  14.511   0.281  -2.654
  280    HA   PRO  34           HA       PRO  34  20.119   2.085  -4.594
  281    HB2  PRO  34           HB3      PRO  34  20.371   4.368  -2.664
  282    HB3  PRO  34           HB2      PRO  34  21.038   4.199  -4.299
  283    HG2  PRO  34           HG3      PRO  34  18.931   5.759  -3.828
  284    HG3  PRO  34           HG2      PRO  34  19.058   4.804  -5.316
  285    HD2  PRO  34           HD3      PRO  34  17.344   4.316  -2.911
  286    HD3  PRO  34           HD2      PRO  34  17.020   3.962  -4.622
  287    H    ALA  35           H        ALA  35  21.129   0.417  -3.658
  288    HA   ALA  35           HA       ALA  35  21.304   0.319  -0.687
  289    HB1  ALA  35           HB1      ALA  35  20.075  -1.605  -1.318
  290    HB2  ALA  35           HB2      ALA  35  21.718  -2.184  -1.063
  291    HB3  ALA  35           HB3      ALA  35  21.117  -1.938  -2.699
  292    H    ARG  36           H        ARG  36  23.089  -1.280  -3.317
  293    HA   ARG  36           HA       ARG  36  25.388  -1.913  -3.108
  294    HB2  ARG  36           HB3      ARG  36  26.607  -0.096  -4.282
  295    HB3  ARG  36           HB2      ARG  36  25.064  -0.492  -5.029
  296    HG2  ARG  36           HG3      ARG  36  24.060   1.440  -3.703
  297    HG3  ARG  36           HG2      ARG  36  25.711   1.911  -3.303
  298    HD2  ARG  36           HD3      ARG  36  25.039   3.155  -5.267
  299    HD3  ARG  36           HD2      ARG  36  26.248   1.965  -5.743
  300    HE   ARG  36           HE       ARG  36  24.605   0.836  -6.965
  301   HH11  ARG  36          HH11      ARG  36  22.534   0.728  -7.910
  302   HH12  ARG  36          HH12      ARG  36  21.264   1.745  -7.314
  303   HH21  ARG  36          HH21      ARG  36  23.245   3.262  -4.908
  304   HH22  ARG  36          HH22      ARG  36  21.668   3.178  -5.620
  305    H    ASP  37           H        ASP  37  26.441  -2.317  -1.260
  306    HA   ASP  37           HA       ASP  37  26.701  -0.510   0.897
  307    HB2  ASP  37           HB3      ASP  37  27.054  -3.070   0.942
  308    HB3  ASP  37           HB2      ASP  37  28.683  -2.724   0.362
  309    H    PHE  38           H        PHE  38  28.055  -0.402  -2.105
  310    HA   PHE  38           HA       PHE  38  29.867   0.654  -3.040
  311    HB2  PHE  38           HB3      PHE  38  28.896   2.711  -2.596
  312    HB3  PHE  38           HB2      PHE  38  28.846   2.428  -0.860
  313    HD1  PHE  38           HD1      PHE  38  31.183   3.229  -3.688
  314    HD2  PHE  38           HD2      PHE  38  30.537   3.280   0.565
  315    HE1  PHE  38           HE1      PHE  38  33.243   4.569  -3.387
  316    HE2  PHE  38           HE2      PHE  38  32.599   4.624   0.858
  317    HZ   PHE  38           HZ       PHE  38  33.950   5.271  -1.115
  318    H    ALA  39           H        ALA  39  31.685  -0.510  -2.966
  319    HA   ALA  39           HA       ALA  39  33.724  -1.315  -2.264
  320    HB1  ALA  39           HB1      ALA  39  34.465   0.926  -2.284
  321    HB2  ALA  39           HB2      ALA  39  34.976   0.305  -0.716
  322    HB3  ALA  39           HB3      ALA  39  33.548   1.332  -0.835
  323    H    ALA  40           H        ALA  40  31.447  -2.330  -0.868
  324    HA   ALA  40           HA       ALA  40  30.839  -3.454   1.069
  325    HB1  ALA  40           HB1      ALA  40  32.601  -4.941   0.397
  326    HB2  ALA  40           HB2      ALA  40  32.761  -4.694   2.135
  327    HB3  ALA  40           HB3      ALA  40  33.840  -3.854   1.021
  328    H    TYR  41           H        TYR  41  31.069  -0.707   1.371
  329    HA   TYR  41           HA       TYR  41  31.364   1.004   2.957
  330    HB2  TYR  41           HB3      TYR  41  29.547  -0.314   3.956
  331    HB3  TYR  41           HB2      TYR  41  30.725  -1.340   4.773
  332    HD1  TYR  41           HD1      TYR  41  29.626   2.219   4.422
  333    HD2  TYR  41           HD2      TYR  41  31.611  -0.701   6.869
  334    HE1  TYR  41           HE1      TYR  41  29.751   3.859   6.278
  335    HE2  TYR  41           HE2      TYR  41  31.737   0.939   8.724
  336    HH   TYR  41           HH       TYR  41  31.629   3.240   9.147
  337    H    ARG  42           H        ARG  42  33.693  -0.989   2.361
  338    HA   ARG  42           HA       ARG  42  35.416  -1.499   4.366
  339    HB2  ARG  42           HB3      ARG  42  36.043  -1.774   1.999
  340    HB3  ARG  42           HB2      ARG  42  36.213  -0.023   1.848
  341    HG2  ARG  42           HG3      ARG  42  38.116   0.046   3.212
  342    HG3  ARG  42           HG2      ARG  42  37.744  -1.493   3.987
  343    HD2  ARG  42           HD3      ARG  42  38.446  -1.262   1.053
  344    HD3  ARG  42           HD2      ARG  42  39.654  -1.549   2.304
  345    HE   ARG  42           HE       ARG  42  37.836  -3.482   1.228
  346   HH11  ARG  42          HH11      ARG  42  37.847  -5.548   2.180
  347   HH12  ARG  42          HH12      ARG  42  38.543  -5.768   3.750
  348   HH21  ARG  42          HH21      ARG  42  39.447  -2.438   4.105
  349   HH22  ARG  42          HH22      ARG  42  39.449  -4.005   4.841
  350    HA   PRO  43           HA       PRO  43  35.279   2.582   6.517
  351    HB2  PRO  43           HB3      PRO  43  37.420   1.116   8.040
  352    HB3  PRO  43           HB2      PRO  43  36.099   2.135   8.654
  353    HG2  PRO  43           HG3      PRO  43  35.930  -0.506   8.786
  354    HG3  PRO  43           HG2      PRO  43  34.510   0.473   8.375
  355    HD2  PRO  43           HD3      PRO  43  36.192  -1.239   6.592
  356    HD3  PRO  43           HD2      PRO  43  34.456  -0.858   6.483
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1 -40.097   5.797  -3.925
    2    H2   GLY   1           H2       GLY   1 -40.409   5.306  -5.521
    3    H3   GLY   1           H3       GLY   1 -38.859   5.849  -5.083
    4    HA2  GLY   1           HA2      GLY   1 -38.308   3.930  -4.000
    5    HA3  GLY   1           HA1      GLY   1 -39.999   3.537  -3.678
    6    H    THR   2           H        THR   2 -40.556   1.752  -4.747
    7    HA   THR   2           HA       THR   2 -40.818   0.202  -6.418
    8    HB   THR   2           HB       THR   2 -41.348   1.019  -8.537
    9    HG1  THR   2           HG1      THR   2 -39.843   3.353  -8.270
   10   HG21  THR   2          HG21      THR   2 -41.475   3.629  -7.033
   11   HG22  THR   2          HG22      THR   2 -42.498   2.267  -6.576
   12   HG23  THR   2          HG23      THR   2 -42.628   2.966  -8.189
   13    H    ASN   3           H        ASN   3 -39.578  -1.316  -7.458
   14    HA   ASN   3           HA       ASN   3 -36.733  -1.080  -7.210
   15    HB2  ASN   3           HB3      ASN   3 -38.318  -3.190  -8.721
   16    HB3  ASN   3           HB2      ASN   3 -36.639  -3.308  -8.194
   17   HD21  ASN   3          HD21      ASN   3 -39.566  -2.119  -6.451
   18   HD22  ASN   3          HD22      ASN   3 -39.385  -3.186  -5.144
   19    H    SER   4           H        SER   4 -37.023  -2.614 -10.135
   20    HA   SER   4           HA       SER   4 -36.182  -2.014 -12.218
   21    HB2  SER   4           HB3      SER   4 -37.511  -0.381 -13.351
   22    HB3  SER   4           HB2      SER   4 -38.584  -1.196 -12.219
   23    HG   SER   4           HG       SER   4 -37.179   1.104 -11.424
   24    H    ARG   5           H        ARG   5 -34.446  -1.341 -10.202
   25    HA   ARG   5           HA       ARG   5 -33.640   1.309  -9.968
   26    HB2  ARG   5           HB3      ARG   5 -31.990  -1.226  -9.953
   27    HB3  ARG   5           HB2      ARG   5 -31.349   0.357  -9.517
   28    HG2  ARG   5           HG3      ARG   5 -33.037   0.571  -7.737
   29    HG3  ARG   5           HG2      ARG   5 -33.711  -0.999  -8.168
   30    HD2  ARG   5           HD3      ARG   5 -31.460  -2.015  -7.713
   31    HD3  ARG   5           HD2      ARG   5 -30.925  -0.448  -7.117
   32    HE   ARG   5           HE       ARG   5 -32.598  -2.325  -5.724
   33   HH11  ARG   5          HH11      ARG   5 -33.346  -1.688  -3.681
   34   HH12  ARG   5          HH12      ARG   5 -33.279  -0.020  -3.219
   35   HH21  ARG   5          HH21      ARG   5 -31.884   1.029  -6.216
   36   HH22  ARG   5          HH22      ARG   5 -32.453   1.519  -4.656
   37    H    ARG   6           H        ARG   6 -32.425  -1.085 -12.354
   38    HA   ARG   6           HA       ARG   6 -31.171  -0.856 -14.245
   39    HB2  ARG   6           HB3      ARG   6 -32.172   0.571 -15.952
   40    HB3  ARG   6           HB2      ARG   6 -33.415  -0.288 -15.051
   41    HG2  ARG   6           HG3      ARG   6 -33.959   1.692 -13.781
   42    HG3  ARG   6           HG2      ARG   6 -32.579   2.565 -14.447
   43    HD2  ARG   6           HD3      ARG   6 -34.578   3.256 -15.629
   44    HD3  ARG   6           HD2      ARG   6 -33.585   2.294 -16.720
   45    HE   ARG   6           HE       ARG   6 -35.201   0.596 -16.650
   46   HH11  ARG   6          HH11      ARG   6 -37.302  -0.124 -16.186
   47   HH12  ARG   6          HH12      ARG   6 -38.277   0.738 -15.043
   48   HH21  ARG   6          HH21      ARG   6 -35.853   3.119 -14.369
   49   HH22  ARG   6          HH22      ARG   6 -37.459   2.572 -14.018
   50    H    ASN   7           H        ASN   7 -29.286  -0.032 -14.982
   51    HA   ASN   7           HA       ASN   7 -27.381   1.286 -14.974
   52    HB2  ASN   7           HB3      ASN   7 -28.861   2.755 -16.285
   53    HB3  ASN   7           HB2      ASN   7 -29.446   3.497 -14.792
   54   HD21  ASN   7          HD21      ASN   7 -28.290   5.371 -16.414
   55   HD22  ASN   7          HD22      ASN   7 -26.708   5.733 -15.920
   56    H    ARG   8           H        ARG   8 -26.779   0.441 -12.899
   57    HA   ARG   8           HA       ARG   8 -27.573   1.563 -10.436
   58    HB2  ARG   8           HB3      ARG   8 -26.174  -0.626 -10.946
   59    HB3  ARG   8           HB2      ARG   8 -24.794   0.452 -10.784
   60    HG2  ARG   8           HG3      ARG   8 -25.058  -0.305  -8.591
   61    HG3  ARG   8           HG2      ARG   8 -25.977   1.197  -8.555
   62    HD2  ARG   8           HD3      ARG   8 -28.069  -0.015  -8.833
   63    HD3  ARG   8           HD2      ARG   8 -27.207  -1.527  -9.085
   64    HE   ARG   8           HE       ARG   8 -26.932  -1.698  -6.783
   65   HH11  ARG   8          HH11      ARG   8 -27.323  -1.014  -4.652
   66   HH12  ARG   8          HH12      ARG   8 -27.863   0.605  -4.352
   67   HH21  ARG   8          HH21      ARG   8 -27.879   1.504  -7.698
   68   HH22  ARG   8          HH22      ARG   8 -28.176   2.030  -6.075
   69    H    LEU   9           H        LEU   9 -24.732   2.268 -12.467
   70    HA   LEU   9           HA       LEU   9 -24.738   5.022 -11.979
   71    HB2  LEU   9           HB3      LEU   9 -23.910   3.846  -9.673
   72    HB3  LEU   9           HB2      LEU   9 -22.370   3.928 -10.504
   73    HG   LEU   9           HG       LEU   9 -22.664   5.914  -9.132
   74   HD11  LEU   9          HD11      LEU   9 -21.481   6.240 -11.238
   75   HD12  LEU   9          HD12      LEU   9 -22.425   7.675 -10.853
   76   HD13  LEU   9          HD13      LEU   9 -23.001   6.550 -12.077
   77   HD21  LEU   9          HD21      LEU   9 -24.541   7.251  -9.065
   78   HD22  LEU   9          HD22      LEU   9 -25.314   5.721  -9.470
   79   HD23  LEU   9          HD23      LEU   9 -24.997   6.912 -10.733
   80    H    LEU  10           H        LEU  10 -24.404   3.235 -14.133
   81    HA   LEU  10           HA       LEU  10 -22.854   2.470 -15.746
   82    HB2  LEU  10           HB3      LEU  10 -22.027   4.489 -17.016
   83    HB3  LEU  10           HB2      LEU  10 -23.765   4.372 -16.787
   84    HG   LEU  10           HG       LEU  10 -22.264   5.879 -14.672
   85   HD11  LEU  10          HD11      LEU  10 -22.243   7.943 -16.061
   86   HD12  LEU  10          HD12      LEU  10 -22.697   6.979 -17.466
   87   HD13  LEU  10          HD13      LEU  10 -21.143   6.712 -16.679
   88   HD21  LEU  10          HD21      LEU  10 -24.245   7.219 -14.632
   89   HD22  LEU  10          HD22      LEU  10 -24.797   5.557 -14.822
   90   HD23  LEU  10          HD23      LEU  10 -24.758   6.635 -16.216
   91    H    GLN  11           H        GLN  11 -21.067   1.401 -15.296
   92    HA   GLN  11           HA       GLN  11 -18.837   0.990 -14.909
   93    HB2  GLN  11           HB3      GLN  11 -17.579   2.380 -16.185
   94    HB3  GLN  11           HB2      GLN  11 -18.941   3.486 -16.281
   95    HG2  GLN  11           HG3      GLN  11 -18.172   4.595 -14.196
   96    HG3  GLN  11           HG2      GLN  11 -16.798   3.491 -14.131
   97   HE21  GLN  11          HE21      GLN  11 -16.999   6.547 -14.631
   98   HE22  GLN  11          HE22      GLN  11 -16.078   6.772 -16.041
   99    H    SER  12           H        SER  12 -17.741   0.652 -13.140
  100    HA   SER  12           HA       SER  12 -17.070   0.702 -10.927
  101    HB2  SER  12           HB3      SER  12 -16.458   2.755 -10.055
  102    HB3  SER  12           HB2      SER  12 -16.584   3.172 -11.762
  103    HG   SER  12           HG       SER  12 -17.792   4.662 -10.700
  104    H    ASP  13           H        ASP  13 -20.193   1.296 -11.948
  105    HA   ASP  13           HA       ASP  13 -22.261   1.362 -10.913
  106    HB2  ASP  13           HB3      ASP  13 -22.526  -0.469  -9.228
  107    HB3  ASP  13           HB2      ASP  13 -21.779  -0.991 -10.735
  108    H    TYR  14           H        TYR  14 -23.208   1.109  -8.402
  109    HA   TYR  14           HA       TYR  14 -22.519   3.599  -7.243
  110    HB2  TYR  14           HB3      TYR  14 -24.804   2.683  -7.192
  111    HB3  TYR  14           HB2      TYR  14 -24.242   1.347  -6.193
  112    HD1  TYR  14           HD1      TYR  14 -25.066   4.921  -6.293
  113    HD2  TYR  14           HD2      TYR  14 -23.585   1.705  -3.870
  114    HE1  TYR  14           HE1      TYR  14 -25.406   6.301  -4.259
  115    HE2  TYR  14           HE2      TYR  14 -23.924   3.082  -1.829
  116    HH   TYR  14           HH       TYR  14 -24.589   6.442  -1.975
  117    H    MET  15           H        MET  15 -20.846   0.816  -7.165
  118    HA   MET  15           HA       MET  15 -19.781  -0.337  -5.315
  119    HB2  MET  15           HB3      MET  15 -18.226   0.671  -6.930
  120    HB3  MET  15           HB2      MET  15 -18.231   2.168  -6.002
  121    HG2  MET  15           HG3      MET  15 -16.253   0.828  -5.438
  122    HG3  MET  15           HG2      MET  15 -17.314   0.941  -4.045
  123    HE1  MET  15           HE1      MET  15 -16.931  -0.951  -2.626
  124    HE2  MET  15           HE2      MET  15 -17.735  -2.486  -2.945
  125    HE3  MET  15           HE3      MET  15 -18.659  -0.987  -3.010
  126    H    ASN  16           H        ASN  16 -21.325  -0.002  -3.630
  127    HA   ASN  16           HA       ASN  16 -21.917   1.874  -1.888
  128    HB2  ASN  16           HB3      ASN  16 -22.425  -0.528  -1.482
  129    HB3  ASN  16           HB2      ASN  16 -20.778  -0.749  -0.888
  130   HD21  ASN  16          HD21      ASN  16 -22.210   2.338  -0.175
  131   HD22  ASN  16          HD22      ASN  16 -22.572   2.020   1.452
  132    H    MET  17           H        MET  17 -21.138   2.985  -0.122
  133    HA   MET  17           HA       MET  17 -19.604   4.032   1.266
  134    HB2  MET  17           HB3      MET  17 -17.439   2.171   0.229
  135    HB3  MET  17           HB2      MET  17 -17.404   3.160   1.672
  136    HG2  MET  17           HG3      MET  17 -17.963   1.162   2.667
  137    HG3  MET  17           HG2      MET  17 -19.595   1.669   2.253
  138    HE1  MET  17           HE1      MET  17 -18.615  -1.464   2.740
  139    HE2  MET  17           HE2      MET  17 -19.810  -2.089   1.606
  140    HE3  MET  17           HE3      MET  17 -20.212  -0.713   2.629
  141    H    THR  18           H        THR  18 -17.705   3.075  -1.595
  142    HA   THR  18           HA       THR  18 -17.949   5.509  -2.930
  143    HB   THR  18           HB       THR  18 -16.419   5.991  -0.747
  144    HG1  THR  18           HG1      THR  18 -16.497   7.797  -1.754
  145   HG21  THR  18          HG21      THR  18 -14.088   5.888  -1.197
  146   HG22  THR  18          HG22      THR  18 -14.355   5.492  -2.895
  147   HG23  THR  18          HG23      THR  18 -14.710   4.296  -1.648
  148    HA   PRO  19           HA       PRO  19 -16.057   3.084  -6.135
  149    HB2  PRO  19           HB3      PRO  19 -14.091   5.229  -6.815
  150    HB3  PRO  19           HB2      PRO  19 -15.316   4.460  -7.843
  151    HG2  PRO  19           HG3      PRO  19 -15.618   6.955  -6.941
  152    HG3  PRO  19           HG2      PRO  19 -16.997   5.852  -7.107
  153    HD2  PRO  19           HD3      PRO  19 -15.540   6.687  -4.615
  154    HD3  PRO  19           HD2      PRO  19 -17.273   6.391  -4.873
  155    H    ARG  20           H        ARG  20 -14.406   1.605  -6.356
  156    HA   ARG  20           HA       ARG  20 -12.840   0.697  -4.436
  157    HB2  ARG  20           HB3      ARG  20 -11.178  -0.133  -6.056
  158    HB3  ARG  20           HB2      ARG  20 -12.826  -0.364  -6.630
  159    HG2  ARG  20           HG3      ARG  20 -12.638   1.463  -8.182
  160    HG3  ARG  20           HG2      ARG  20 -11.151   2.035  -7.434
  161    HD2  ARG  20           HD3      ARG  20  -9.890   0.238  -8.299
  162    HD3  ARG  20           HD2      ARG  20 -11.324  -0.729  -8.628
  163    HE   ARG  20           HE       ARG  20 -11.419   0.293 -10.694
  164   HH11  ARG  20          HH11      ARG  20 -10.885   1.869 -12.237
  165   HH12  ARG  20          HH12      ARG  20  -9.970   3.262 -11.767
  166   HH21  ARG  20          HH21      ARG  20  -9.710   2.307  -8.448
  167   HH22  ARG  20          HH22      ARG  20  -9.309   3.512  -9.625
  168    H    ARG  21           H        ARG  21 -10.809   0.945  -3.521
  169    HA   ARG  21           HA       ARG  21  -9.898   3.655  -3.325
  170    HB2  ARG  21           HB3      ARG  21  -7.980   2.363  -1.975
  171    HB3  ARG  21           HB2      ARG  21  -9.585   2.596  -1.289
  172    HG2  ARG  21           HG3      ARG  21  -8.762   0.250  -1.060
  173    HG3  ARG  21           HG2      ARG  21 -10.260   0.356  -1.976
  174    HD2  ARG  21           HD3      ARG  21  -9.189  -0.088  -4.017
  175    HD3  ARG  21           HD2      ARG  21  -7.610   0.408  -3.410
  176    HE   ARG  21           HE       ARG  21  -8.722  -2.221  -3.261
  177   HH11  ARG  21          HH11      ARG  21  -7.511  -3.771  -2.127
  178   HH12  ARG  21          HH12      ARG  21  -6.285  -3.261  -1.014
  179   HH21  ARG  21          HH21      ARG  21  -6.814   0.119  -1.568
  180   HH22  ARG  21          HH22      ARG  21  -5.890  -1.060  -0.698
  181    HA   PRO  22           HA       PRO  22  -6.818   3.485  -6.500
  182    HB2  PRO  22           HB3      PRO  22  -4.975   5.281  -5.630
  183    HB3  PRO  22           HB2      PRO  22  -6.599   5.779  -6.149
  184    HG2  PRO  22           HG3      PRO  22  -5.562   5.338  -3.376
  185    HG3  PRO  22           HG2      PRO  22  -6.546   6.674  -4.004
  186    HD2  PRO  22           HD3      PRO  22  -7.638   4.582  -2.627
  187    HD3  PRO  22           HD2      PRO  22  -8.521   5.447  -3.907
  188    H    GLY  23           H        GLY  23  -4.872   2.406  -7.029
  189    HA2  GLY  23           HA2      GLY  23  -3.881   0.508  -5.167
  190    HA3  GLY  23           HA1      GLY  23  -3.120   0.918  -6.706
  191    H    LEU  24           H        LEU  24  -2.732   0.971  -3.407
  192    HA   LEU  24           HA       LEU  24  -0.638   3.070  -3.570
  193    HB2  LEU  24           HB3      LEU  24  -2.880   3.228  -1.958
  194    HB3  LEU  24           HB2      LEU  24  -1.724   2.488  -0.861
  195    HG   LEU  24           HG       LEU  24  -1.681   4.918  -0.638
  196   HD11  LEU  24          HD11      LEU  24   0.447   3.522  -0.490
  197   HD12  LEU  24          HD12      LEU  24   0.663   5.252  -0.747
  198   HD13  LEU  24          HD13      LEU  24   0.846   4.132  -2.095
  199   HD21  LEU  24          HD21      LEU  24  -0.533   5.386  -3.360
  200   HD22  LEU  24          HD22      LEU  24  -1.554   6.418  -2.365
  201   HD23  LEU  24          HD23      LEU  24  -2.275   5.097  -3.277
  202    H    THR  25           H        THR  25  -1.255  -0.133  -3.318
  203    HA   THR  25           HA       THR  25   1.028  -0.757  -1.554
  204    HB   THR  25           HB       THR  25   0.246  -3.173  -2.046
  205    HG1  THR  25           HG1      THR  25  -1.679  -1.610  -3.324
  206   HG21  THR  25          HG21      THR  25  -1.903  -2.812  -0.582
  207   HG22  THR  25          HG22      THR  25  -1.338  -1.150  -0.454
  208   HG23  THR  25          HG23      THR  25  -0.322  -2.477   0.119
  209    H    ARG  26           H        ARG  26  -0.135  -1.918  -4.716
  210    HA   ARG  26           HA       ARG  26   2.235  -3.086  -5.574
  211    HB2  ARG  26           HB3      ARG  26   0.217  -3.430  -6.866
  212    HB3  ARG  26           HB2      ARG  26   0.103  -1.710  -7.245
  213    HG2  ARG  26           HG3      ARG  26   2.698  -2.956  -8.013
  214    HG3  ARG  26           HG2      ARG  26   1.304  -3.599  -8.876
  215    HD2  ARG  26           HD3      ARG  26   1.901  -0.639  -8.632
  216    HD3  ARG  26           HD2      ARG  26   2.386  -1.629 -10.003
  217    HE   ARG  26           HE       ARG  26  -0.286  -2.097  -9.837
  218   HH11  ARG  26          HH11      ARG  26  -1.857  -0.811 -10.862
  219   HH12  ARG  26          HH12      ARG  26  -1.518   0.854 -11.202
  220   HH21  ARG  26          HH21      ARG  26   1.670   0.758  -9.839
  221   HH22  ARG  26          HH22      ARG  26   0.478   1.742 -10.622
  222    H    LYS  27           H        LYS  27   4.172  -2.344  -6.033
  223    HA   LYS  27           HA       LYS  27   5.136   0.182  -5.699
  224    HB2  LYS  27           HB3      LYS  27   6.423  -1.984  -6.180
  225    HB3  LYS  27           HB2      LYS  27   6.203  -1.598  -7.880
  226    HG2  LYS  27           HG3      LYS  27   7.303   0.584  -6.131
  227    HG3  LYS  27           HG2      LYS  27   8.363  -0.775  -6.462
  228    HD2  LYS  27           HD3      LYS  27   6.946   0.852  -8.599
  229    HD3  LYS  27           HD2      LYS  27   8.615   1.089  -8.104
  230    HE2  LYS  27           HE3      LYS  27   8.659  -1.594  -8.628
  231    HE3  LYS  27           HE2      LYS  27   7.444  -1.059  -9.790
  232    HZ1  LYS  27           HZ1      LYS  27   9.317   0.831 -10.056
  233    HZ2  LYS  27           HZ2      LYS  27   9.223  -0.564 -11.024
  234    HZ3  LYS  27           HZ3      LYS  27  10.282  -0.517  -9.694
  235    HA   PRO  28           HA       PRO  28   2.830   2.141  -9.208
  236    HB2  PRO  28           HB3      PRO  28   4.225   4.569  -8.145
  237    HB3  PRO  28           HB2      PRO  28   2.511   4.335  -8.545
  238    HG2  PRO  28           HG3      PRO  28   3.310   4.411  -6.024
  239    HG3  PRO  28           HG2      PRO  28   2.061   3.261  -6.544
  240    HD2  PRO  28           HD3      PRO  28   4.970   2.752  -5.968
  241    HD3  PRO  28           HD2      PRO  28   3.541   1.771  -5.564
  242    H    TYR  29           H        TYR  29   4.973   0.762 -10.075
  243    HA   TYR  29           HA       TYR  29   6.782   0.655 -11.509
  244    HB2  TYR  29           HB3      TYR  29   6.445   2.009 -13.553
  245    HB3  TYR  29           HB2      TYR  29   4.996   1.147 -13.041
  246    HD1  TYR  29           HD1      TYR  29   6.654   4.460 -13.170
  247    HD2  TYR  29           HD2      TYR  29   3.046   2.318 -12.255
  248    HE1  TYR  29           HE1      TYR  29   5.405   6.602 -13.077
  249    HE2  TYR  29           HE2      TYR  29   1.799   4.459 -12.160
  250    HH   TYR  29           HH       TYR  29   3.064   7.311 -11.752
  251    H    GLN  30           H        GLN  30   8.779   1.196 -11.651
  252    HA   GLN  30           HA       GLN  30  10.476   2.894 -12.213
  253    HB2  GLN  30           HB3      GLN  30  10.728   4.894 -10.908
  254    HB3  GLN  30           HB2      GLN  30   9.097   4.855 -11.549
  255    HG2  GLN  30           HG3      GLN  30   8.698   3.621  -9.126
  256    HG3  GLN  30           HG2      GLN  30  10.050   4.671  -8.723
  257   HE21  GLN  30          HE21      GLN  30   8.858   6.189  -7.452
  258   HE22  GLN  30          HE22      GLN  30   7.661   7.194  -8.114
  259    HA   PRO  31           HA       PRO  31  11.948  -0.052  -8.948
  260    HB2  PRO  31           HB3      PRO  31  14.143  -0.286 -10.966
  261    HB3  PRO  31           HB2      PRO  31  13.274  -1.564 -10.089
  262    HG2  PRO  31           HG3      PRO  31  12.773  -1.101 -12.652
  263    HG3  PRO  31           HG2      PRO  31  11.458  -1.496 -11.527
  264    HD2  PRO  31           HD3      PRO  31  12.232   1.179 -12.660
  265    HD3  PRO  31           HD2      PRO  31  10.612   0.505 -12.368
  266    H    TYR  32           H        TYR  32  13.993   2.139 -10.852
  267    HA   TYR  32           HA       TYR  32  16.049   3.118 -10.216
  268    HB2  TYR  32           HB3      TYR  32  15.376   5.242  -9.738
  269    HB3  TYR  32           HB2      TYR  32  13.749   4.580  -9.775
  270    HD1  TYR  32           HD1      TYR  32  16.545   5.620  -7.591
  271    HD2  TYR  32           HD2      TYR  32  12.471   4.267  -7.743
  272    HE1  TYR  32           HE1      TYR  32  16.260   6.214  -5.201
  273    HE2  TYR  32           HE2      TYR  32  12.185   4.867  -5.351
  274    HH   TYR  32           HH       TYR  32  13.527   6.714  -3.745
  275    H    ALA  33           H        ALA  33  17.496   1.828  -9.218
  276    HA   ALA  33           HA       ALA  33  17.613   1.962  -6.288
  277    HB1  ALA  33           HB1      ALA  33  17.738  -0.690  -7.718
  278    HB2  ALA  33           HB2      ALA  33  16.293  -0.092  -6.900
  279    HB3  ALA  33           HB3      ALA  33  17.766  -0.402  -5.980
  280    HA   PRO  34           HA       PRO  34  21.714   2.315  -8.501
  281    HB2  PRO  34           HB3      PRO  34  22.171   4.098  -6.140
  282    HB3  PRO  34           HB2      PRO  34  22.569   4.372  -7.848
  283    HG2  PRO  34           HG3      PRO  34  20.525   5.633  -6.680
  284    HG3  PRO  34           HG2      PRO  34  20.436   5.093  -8.367
  285    HD2  PRO  34           HD3      PRO  34  19.167   3.887  -5.931
  286    HD3  PRO  34           HD2      PRO  34  18.541   3.992  -7.596
  287    H    ALA  35           H        ALA  35  23.254   0.834  -8.018
  288    HA   ALA  35           HA       ALA  35  23.273  -0.317  -5.284
  289    HB1  ALA  35           HB1      ALA  35  22.802  -2.045  -6.841
  290    HB2  ALA  35           HB2      ALA  35  24.488  -2.255  -6.379
  291    HB3  ALA  35           HB3      ALA  35  24.087  -1.534  -7.936
  292    H    ARG  36           H        ARG  36  25.917  -0.681  -7.584
  293    HA   ARG  36           HA       ARG  36  28.191  -0.358  -7.206
  294    HB2  ARG  36           HB3      ARG  36  27.361   1.856  -8.022
  295    HB3  ARG  36           HB2      ARG  36  27.138   2.352  -6.352
  296    HG2  ARG  36           HG3      ARG  36  29.258   3.232  -6.958
  297    HG3  ARG  36           HG2      ARG  36  29.628   1.802  -6.006
  298    HD2  ARG  36           HD3      ARG  36  30.952   2.089  -8.169
  299    HD3  ARG  36           HD2      ARG  36  30.177   0.527  -7.947
  300    HE   ARG  36           HE       ARG  36  28.808   1.010  -9.766
  301   HH11  ARG  36          HH11      ARG  36  28.163   2.297 -11.519
  302   HH12  ARG  36          HH12      ARG  36  28.634   3.963 -11.585
  303   HH21  ARG  36          HH21      ARG  36  30.376   3.863  -8.589
  304   HH22  ARG  36          HH22      ARG  36  29.886   4.849  -9.926
  305    H    ASP  37           H        ASP  37  28.012  -1.906  -5.363
  306    HA   ASP  37           HA       ASP  37  27.719  -1.089  -2.692
  307    HB2  ASP  37           HB3      ASP  37  27.726  -3.472  -3.428
  308    HB3  ASP  37           HB2      ASP  37  29.466  -3.345  -3.696
  309    H    PHE  38           H        PHE  38  30.579  -1.435  -4.681
  310    HA   PHE  38           HA       PHE  38  32.727  -0.672  -4.462
  311    HB2  PHE  38           HB3      PHE  38  32.365   1.542  -4.826
  312    HB3  PHE  38           HB2      PHE  38  30.868   1.500  -3.905
  313    HD1  PHE  38           HD1      PHE  38  34.582   1.680  -3.513
  314    HD2  PHE  38           HD2      PHE  38  30.745   2.530  -1.782
  315    HE1  PHE  38           HE1      PHE  38  35.685   2.941  -1.685
  316    HE2  PHE  38           HE2      PHE  38  31.847   3.792   0.046
  317    HZ   PHE  38           HZ       PHE  38  34.319   3.996   0.095
  318    H    ALA  39           H        ALA  39  34.088  -1.732  -3.213
  319    HA   ALA  39           HA       ALA  39  35.230  -2.481  -1.358
  320    HB1  ALA  39           HB1      ALA  39  35.471   0.034  -1.112
  321    HB2  ALA  39           HB2      ALA  39  35.639  -0.900   0.377
  322    HB3  ALA  39           HB3      ALA  39  34.137  -0.038   0.040
  323    H    ALA  40           H        ALA  40  32.539  -3.445  -1.733
  324    HA   ALA  40           HA       ALA  40  30.868  -4.577  -0.605
  325    HB1  ALA  40           HB1      ALA  40  31.729  -6.147   0.863
  326    HB2  ALA  40           HB2      ALA  40  32.720  -4.962   1.718
  327    HB3  ALA  40           HB3      ALA  40  33.228  -5.567   0.144
  328    H    TYR  41           H        TYR  41  29.767  -4.778   1.696
  329    HA   TYR  41           HA       TYR  41  28.481  -3.681   3.295
  330    HB2  TYR  41           HB3      TYR  41  30.654  -3.483   4.416
  331    HB3  TYR  41           HB2      TYR  41  30.994  -2.004   3.522
  332    HD1  TYR  41           HD1      TYR  41  28.345  -3.515   5.706
  333    HD2  TYR  41           HD2      TYR  41  30.410   0.052   4.491
  334    HE1  TYR  41           HE1      TYR  41  27.104  -2.213   7.413
  335    HE2  TYR  41           HE2      TYR  41  29.167   1.352   6.197
  336    HH   TYR  41           HH       TYR  41  27.430   1.306   7.633
  337    H    ARG  42           H        ARG  42  27.915  -3.002   0.739
  338    HA   ARG  42           HA       ARG  42  27.917  -0.590  -0.361
  339    HB2  ARG  42           HB3      ARG  42  25.657  -0.849  -1.128
  340    HB3  ARG  42           HB2      ARG  42  26.325  -2.469  -0.986
  341    HG2  ARG  42           HG3      ARG  42  25.307  -2.339   1.469
  342    HG3  ARG  42           HG2      ARG  42  24.296  -1.085   0.755
  343    HD2  ARG  42           HD3      ARG  42  24.424  -4.013   0.093
  344    HD3  ARG  42           HD2      ARG  42  23.012  -3.004   0.392
  345    HE   ARG  42           HE       ARG  42  24.245  -3.459  -2.134
  346   HH11  ARG  42          HH11      ARG  42  23.489  -2.252  -3.897
  347   HH12  ARG  42          HH12      ARG  42  22.587  -0.798  -3.624
  348   HH21  ARG  42          HH21      ARG  42  22.743  -1.040  -0.168
  349   HH22  ARG  42          HH22      ARG  42  22.166  -0.112  -1.512
  350    HA   PRO  43           HA       PRO  43  26.991   2.822   2.336
  351    HB2  PRO  43           HB3      PRO  43  24.705   3.347   0.448
  352    HB3  PRO  43           HB2      PRO  43  25.868   4.492   1.148
  353    HG2  PRO  43           HG3      PRO  43  26.123   3.584  -1.360
  354    HG3  PRO  43           HG2      PRO  43  27.530   3.926  -0.339
  355    HD2  PRO  43           HD3      PRO  43  26.489   1.305  -1.244
  356    HD3  PRO  43           HD2      PRO  43  28.104   1.722  -0.625
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1 -39.914   4.908   1.148
    2    H2   GLY   1           H2       GLY   1 -39.971   4.283  -0.431
    3    H3   GLY   1           H3       GLY   1 -38.475   4.612   0.302
    4    HA2  GLY   1           HA2      GLY   1 -38.555   2.786   1.668
    5    HA3  GLY   1           HA1      GLY   1 -40.314   2.694   1.562
    6    H    THR   2           H        THR   2 -40.651   0.704   0.709
    7    HA   THR   2           HA       THR   2 -40.720  -1.007  -0.823
    8    HB   THR   2           HB       THR   2 -40.971  -0.391  -3.045
    9    HG1  THR   2           HG1      THR   2 -39.283   1.830  -2.864
   10   HG21  THR   2          HG21      THR   2 -41.029   2.424  -1.985
   11   HG22  THR   2          HG22      THR   2 -42.181   1.237  -1.372
   12   HG23  THR   2          HG23      THR   2 -42.146   1.629  -3.090
   13    H    ASN   3           H        ASN   3 -39.370  -2.667  -1.489
   14    HA   ASN   3           HA       ASN   3 -36.483  -2.151  -1.231
   15    HB2  ASN   3           HB3      ASN   3 -37.770  -4.847  -1.706
   16    HB3  ASN   3           HB2      ASN   3 -36.219  -4.486  -0.947
   17   HD21  ASN   3          HD21      ASN   3 -36.244  -3.752   1.335
   18   HD22  ASN   3          HD22      ASN   3 -37.659  -3.853   2.264
   19    H    SER   4           H        SER   4 -35.920  -4.503  -3.038
   20    HA   SER   4           HA       SER   4 -35.347  -4.787  -5.266
   21    HB2  SER   4           HB3      SER   4 -37.046  -4.479  -6.851
   22    HB3  SER   4           HB2      SER   4 -37.953  -4.675  -5.357
   23    HG   SER   4           HG       SER   4 -37.282  -2.110  -5.634
   24    H    ARG   5           H        ARG   5 -33.599  -3.333  -4.490
   25    HA   ARG   5           HA       ARG   5 -33.509  -0.585  -4.834
   26    HB2  ARG   5           HB3      ARG   5 -31.289  -2.606  -5.215
   27    HB3  ARG   5           HB2      ARG   5 -31.044  -0.868  -5.064
   28    HG2  ARG   5           HG3      ARG   5 -32.114  -0.902  -2.838
   29    HG3  ARG   5           HG2      ARG   5 -32.356  -2.640  -2.976
   30    HD2  ARG   5           HD3      ARG   5 -29.874  -2.899  -3.253
   31    HD3  ARG   5           HD2      ARG   5 -29.710  -1.180  -2.902
   32    HE   ARG   5           HE       ARG   5 -30.356  -3.289  -1.003
   33   HH11  ARG   5          HH11      ARG   5 -30.408  -2.627   1.168
   34   HH12  ARG   5          HH12      ARG   5 -30.439  -0.939   1.554
   35   HH21  ARG   5          HH21      ARG   5 -30.378   0.088  -1.759
   36   HH22  ARG   5          HH22      ARG   5 -30.421   0.600  -0.106
   37    H    ARG   6           H        ARG   6 -32.652  -3.085  -7.249
   38    HA   ARG   6           HA       ARG   6 -32.201  -2.975  -9.482
   39    HB2  ARG   6           HB3      ARG   6 -34.038  -2.099 -10.819
   40    HB3  ARG   6           HB2      ARG   6 -34.653  -2.968  -9.421
   41    HG2  ARG   6           HG3      ARG   6 -35.136  -0.901  -8.267
   42    HG3  ARG   6           HG2      ARG   6 -34.340   0.046  -9.523
   43    HD2  ARG   6           HD3      ARG   6 -36.720   0.145  -9.909
   44    HD3  ARG   6           HD2      ARG   6 -36.012  -0.875 -11.155
   45    HE   ARG   6           HE       ARG   6 -37.051  -2.744 -10.185
   46   HH11  ARG   6          HH11      ARG   6 -38.621  -3.652  -8.828
   47   HH12  ARG   6          HH12      ARG   6 -39.305  -2.708  -7.545
   48   HH21  ARG   6          HH21      ARG   6 -37.424   0.117  -8.265
   49   HH22  ARG   6          HH22      ARG   6 -38.627  -0.571  -7.228
   50    H    ASN   7           H        ASN   7 -30.978  -1.978 -10.992
   51    HA   ASN   7           HA       ASN   7 -29.585  -0.363 -11.886
   52    HB2  ASN   7           HB3      ASN   7 -31.893   0.573 -12.417
   53    HB3  ASN   7           HB2      ASN   7 -31.699   1.602 -10.995
   54   HD21  ASN   7          HD21      ASN   7 -31.699   3.515 -12.599
   55   HD22  ASN   7          HD22      ASN   7 -30.261   3.859 -13.428
   56    H    ARG   8           H        ARG   8 -28.804  -1.139  -9.452
   57    HA   ARG   8           HA       ARG   8 -28.589   0.359  -7.252
   58    HB2  ARG   8           HB3      ARG   8 -27.147  -1.716  -7.955
   59    HB3  ARG   8           HB2      ARG   8 -25.980  -0.515  -8.484
   60    HG2  ARG   8           HG3      ARG   8 -25.329  -0.960  -6.263
   61    HG3  ARG   8           HG2      ARG   8 -26.268   0.524  -6.126
   62    HD2  ARG   8           HD3      ARG   8 -28.132  -0.593  -5.207
   63    HD3  ARG   8           HD2      ARG   8 -27.604  -2.165  -5.794
   64    HE   ARG   8           HE       ARG   8 -26.209  -2.355  -3.936
   65   HH11  ARG   8          HH11      ARG   8 -25.581  -1.706  -1.853
   66   HH12  ARG   8          HH12      ARG   8 -25.915  -0.094  -1.315
   67   HH21  ARG   8          HH21      ARG   8 -27.460   0.856  -4.270
   68   HH22  ARG   8          HH22      ARG   8 -26.977   1.357  -2.684
   69    H    LEU   9           H        LEU   9 -26.301   0.960  -9.945
   70    HA   LEU   9           HA       LEU   9 -26.662   3.787  -9.782
   71    HB2  LEU   9           HB3      LEU   9 -25.043   2.872  -7.804
   72    HB3  LEU   9           HB2      LEU   9 -23.845   3.083  -9.072
   73    HG   LEU   9           HG       LEU   9 -23.965   5.108  -7.742
   74   HD11  LEU   9          HD11      LEU   9 -23.575   5.431 -10.130
   75   HD12  LEU   9          HD12      LEU   9 -24.519   6.770  -9.480
   76   HD13  LEU   9          HD13      LEU   9 -25.312   5.516 -10.428
   77   HD21  LEU   9          HD21      LEU   9 -25.890   6.225  -7.126
   78   HD22  LEU   9          HD22      LEU   9 -26.514   4.583  -7.178
   79   HD23  LEU   9          HD23      LEU   9 -26.808   5.681  -8.527
   80    H    LEU  10           H        LEU  10 -26.536   1.478 -11.671
   81    HA   LEU  10           HA       LEU  10 -25.378   0.758 -13.599
   82    HB2  LEU  10           HB3      LEU  10 -25.620   2.555 -15.361
   83    HB3  LEU  10           HB2      LEU  10 -27.094   2.075 -14.528
   84    HG   LEU  10           HG       LEU  10 -25.569   4.377 -13.345
   85   HD11  LEU  10          HD11      LEU  10 -25.449   5.009 -15.671
   86   HD12  LEU  10          HD12      LEU  10 -26.753   5.941 -14.936
   87   HD13  LEU  10          HD13      LEU  10 -27.128   4.540 -15.937
   88   HD21  LEU  10          HD21      LEU  10 -27.732   3.457 -12.422
   89   HD22  LEU  10          HD22      LEU  10 -28.524   3.989 -13.902
   90   HD23  LEU  10          HD23      LEU  10 -27.793   5.173 -12.818
   91    H    GLN  11           H        GLN  11 -23.289   0.292 -13.744
   92    HA   GLN  11           HA       GLN  11 -21.016   0.589 -14.063
   93    HB2  GLN  11           HB3      GLN  11 -20.706   1.966 -15.851
   94    HB3  GLN  11           HB2      GLN  11 -22.315   2.620 -15.598
   95    HG2  GLN  11           HG3      GLN  11 -21.376   4.304 -14.031
   96    HG3  GLN  11           HG2      GLN  11 -19.764   3.651 -14.313
   97   HE21  GLN  11          HE21      GLN  11 -21.191   6.343 -15.051
   98   HE22  GLN  11          HE22      GLN  11 -20.797   6.542 -16.691
   99    H    SER  12           H        SER  12 -19.393   1.016 -12.724
  100    HA   SER  12           HA       SER  12 -18.206   1.863 -10.914
  101    HB2  SER  12           HB3      SER  12 -18.346   4.128 -10.458
  102    HB3  SER  12           HB2      SER  12 -19.073   4.088 -12.061
  103    HG   SER  12           HG       SER  12 -20.393   5.243 -10.653
  104    H    ASP  13           H        ASP  13 -18.742   0.248  -9.421
  105    HA   ASP  13           HA       ASP  13 -21.308   0.079  -8.198
  106    HB2  ASP  13           HB3      ASP  13 -20.277  -1.607  -6.741
  107    HB3  ASP  13           HB2      ASP  13 -19.873  -1.891  -8.431
  108    H    TYR  14           H        TYR  14 -22.019   0.709  -6.228
  109    HA   TYR  14           HA       TYR  14 -21.159   3.081  -5.133
  110    HB2  TYR  14           HB3      TYR  14 -23.386   1.918  -4.842
  111    HB3  TYR  14           HB2      TYR  14 -22.602   0.887  -3.650
  112    HD1  TYR  14           HD1      TYR  14 -23.958   4.186  -4.359
  113    HD2  TYR  14           HD2      TYR  14 -21.697   1.865  -1.544
  114    HE1  TYR  14           HE1      TYR  14 -24.324   5.929  -2.626
  115    HE2  TYR  14           HE2      TYR  14 -22.055   3.600   0.187
  116    HH   TYR  14           HH       TYR  14 -23.122   6.685  -0.491
  117    H    MET  15           H        MET  15 -19.647   0.127  -4.910
  118    HA   MET  15           HA       MET  15 -18.436  -0.849  -3.074
  119    HB2  MET  15           HB3      MET  15 -17.005  -0.238  -4.968
  120    HB3  MET  15           HB2      MET  15 -16.800   1.380  -4.311
  121    HG2  MET  15           HG3      MET  15 -14.878  -0.199  -3.848
  122    HG3  MET  15           HG2      MET  15 -15.566   0.540  -2.413
  123    HE1  MET  15           HE1      MET  15 -15.142  -0.830  -0.553
  124    HE2  MET  15           HE2      MET  15 -16.070  -2.280  -0.182
  125    HE3  MET  15           HE3      MET  15 -16.910  -0.774  -0.534
  126    H    ASN  16           H        ASN  16 -19.807  -0.058  -1.330
  127    HA   ASN  16           HA       ASN  16 -20.077   1.974   0.214
  128    HB2  ASN  16           HB3      ASN  16 -20.571  -0.203   1.144
  129    HB3  ASN  16           HB2      ASN  16 -18.853  -0.573   1.302
  130   HD21  ASN  16          HD21      ASN  16 -20.208   2.624   2.040
  131   HD22  ASN  16          HD22      ASN  16 -19.927   2.541   3.711
  132    H    MET  17           H        MET  17 -19.102   3.587   1.185
  133    HA   MET  17           HA       MET  17 -17.401   4.708   2.406
  134    HB2  MET  17           HB3      MET  17 -15.328   2.975   1.035
  135    HB3  MET  17           HB2      MET  17 -15.093   4.079   2.372
  136    HG2  MET  17           HG3      MET  17 -15.684   2.520   3.925
  137    HG3  MET  17           HG2      MET  17 -17.096   2.007   3.021
  138    HE1  MET  17           HE1      MET  17 -16.913  -0.226   3.741
  139    HE2  MET  17           HE2      MET  17 -15.371  -0.267   4.591
  140    HE3  MET  17           HE3      MET  17 -15.691  -1.427   3.307
  141    H    THR  18           H        THR  18 -16.906   3.619  -0.900
  142    HA   THR  18           HA       THR  18 -17.210   6.106  -2.083
  143    HB   THR  18           HB       THR  18 -14.614   5.785  -0.879
  144    HG1  THR  18           HG1      THR  18 -14.799   7.858  -0.975
  145   HG21  THR  18          HG21      THR  18 -13.206   6.450  -2.814
  146   HG22  THR  18          HG22      THR  18 -14.563   6.152  -3.895
  147   HG23  THR  18          HG23      THR  18 -13.841   4.818  -2.995
  148    HA   PRO  19           HA       PRO  19 -17.494   3.273  -5.544
  149    HB2  PRO  19           HB3      PRO  19 -16.241   5.379  -7.261
  150    HB3  PRO  19           HB2      PRO  19 -17.776   4.520  -7.479
  151    HG2  PRO  19           HG3      PRO  19 -17.660   7.084  -6.666
  152    HG3  PRO  19           HG2      PRO  19 -18.933   5.972  -6.133
  153    HD2  PRO  19           HD3      PRO  19 -16.600   7.028  -4.603
  154    HD3  PRO  19           HD2      PRO  19 -18.195   6.491  -4.031
  155    H    ARG  20           H        ARG  20 -16.087   1.915  -6.829
  156    HA   ARG  20           HA       ARG  20 -13.749   1.085  -5.839
  157    HB2  ARG  20           HB3      ARG  20 -13.393  -0.078  -7.808
  158    HB3  ARG  20           HB2      ARG  20 -15.080   0.376  -8.022
  159    HG2  ARG  20           HG3      ARG  20 -14.237   2.442  -9.268
  160    HG3  ARG  20           HG2      ARG  20 -12.640   1.698  -9.246
  161    HD2  ARG  20           HD3      ARG  20 -14.001  -0.394 -10.215
  162    HD3  ARG  20           HD2      ARG  20 -15.081   0.885 -10.767
  163    HE   ARG  20           HE       ARG  20 -12.555   0.239 -11.883
  164   HH11  ARG  20          HH11      ARG  20 -11.637   1.655 -13.395
  165   HH12  ARG  20          HH12      ARG  20 -12.200   3.290 -13.502
  166   HH21  ARG  20          HH21      ARG  20 -14.552   2.927 -10.980
  167   HH22  ARG  20          HH22      ARG  20 -13.851   4.007 -12.137
  168    H    ARG  21           H        ARG  21 -11.507   1.406  -6.238
  169    HA   ARG  21           HA       ARG  21 -10.841   4.227  -6.569
  170    HB2  ARG  21           HB3      ARG  21  -8.450   2.870  -6.014
  171    HB3  ARG  21           HB2      ARG  21  -9.472   3.683  -4.835
  172    HG2  ARG  21           HG3      ARG  21  -9.081   1.438  -4.056
  173    HG3  ARG  21           HG2      ARG  21 -10.761   1.524  -4.569
  174    HD2  ARG  21           HD3      ARG  21  -9.934   0.652  -6.842
  175    HD3  ARG  21           HD2      ARG  21  -8.423   0.280  -6.027
  176    HE   ARG  21           HE       ARG  21 -10.840  -1.225  -5.865
  177   HH11  ARG  21          HH11      ARG  21 -10.890  -2.950  -4.386
  178   HH12  ARG  21          HH12      ARG  21  -9.725  -3.020  -3.107
  179   HH21  ARG  21          HH21      ARG  21  -8.129  -0.088  -4.046
  180   HH22  ARG  21          HH22      ARG  21  -8.163  -1.398  -2.914
  181    HA   PRO  22           HA       PRO  22  -9.246   3.646 -10.677
  182    HB2  PRO  22           HB3      PRO  22  -7.486   5.698 -10.882
  183    HB3  PRO  22           HB2      PRO  22  -9.235   5.980 -10.741
  184    HG2  PRO  22           HG3      PRO  22  -7.130   6.090  -8.614
  185    HG3  PRO  22           HG2      PRO  22  -8.438   7.238  -8.958
  186    HD2  PRO  22           HD3      PRO  22  -8.638   5.353  -6.990
  187    HD3  PRO  22           HD2      PRO  22 -10.049   5.934  -7.906
  188    H    GLY  23           H        GLY  23  -7.397   2.877 -11.867
  189    HA2  GLY  23           HA2      GLY  23  -5.626   1.203 -10.415
  190    HA3  GLY  23           HA1      GLY  23  -5.464   1.618 -12.120
  191    H    LEU  24           H        LEU  24  -4.214   2.093  -8.982
  192    HA   LEU  24           HA       LEU  24  -2.109   3.827 -10.021
  193    HB2  LEU  24           HB3      LEU  24  -4.066   5.276  -9.156
  194    HB3  LEU  24           HB2      LEU  24  -3.609   4.704  -7.553
  195    HG   LEU  24           HG       LEU  24  -1.176   5.485  -8.311
  196   HD11  LEU  24          HD11      LEU  24  -1.222   7.437  -9.777
  197   HD12  LEU  24          HD12      LEU  24  -2.971   7.299  -9.957
  198   HD13  LEU  24          HD13      LEU  24  -1.915   6.064 -10.637
  199   HD21  LEU  24          HD21      LEU  24  -2.307   6.459  -6.406
  200   HD22  LEU  24          HD22      LEU  24  -3.427   7.329  -7.456
  201   HD23  LEU  24          HD23      LEU  24  -1.723   7.784  -7.415
  202    H    THR  25           H        THR  25  -2.123   1.139  -9.125
  203    HA   THR  25           HA       THR  25  -0.823   1.226  -6.467
  204    HB   THR  25           HB       THR  25  -0.906  -1.351  -6.808
  205    HG1  THR  25           HG1      THR  25  -2.256  -0.345  -9.011
  206   HG21  THR  25          HG21      THR  25  -3.302   0.434  -6.356
  207   HG22  THR  25          HG22      THR  25  -2.416  -0.557  -5.193
  208   HG23  THR  25          HG23      THR  25  -3.483  -1.318  -6.367
  209    H    ARG  26           H        ARG  26  -0.256  -0.477  -9.528
  210    HA   ARG  26           HA       ARG  26   2.045  -1.555  -9.663
  211    HB2  ARG  26           HB3      ARG  26   2.730  -0.209 -11.729
  212    HB3  ARG  26           HB2      ARG  26   1.139  -0.965 -11.764
  213    HG2  ARG  26           HG3      ARG  26   0.145   1.204 -10.988
  214    HG3  ARG  26           HG2      ARG  26   1.746   1.934 -11.106
  215    HD2  ARG  26           HD3      ARG  26   0.279   0.606 -13.400
  216    HD3  ARG  26           HD2      ARG  26   0.353   2.344 -13.131
  217    HE   ARG  26           HE       ARG  26   2.497   0.646 -14.123
  218   HH11  ARG  26          HH11      ARG  26   4.355   1.751 -14.799
  219   HH12  ARG  26          HH12      ARG  26   4.555   3.426 -14.403
  220   HH21  ARG  26          HH21      ARG  26   1.546   3.650 -12.693
  221   HH22  ARG  26          HH22      ARG  26   2.963   4.502 -13.210
  222    H    LYS  27           H        LYS  27   3.982  -1.444  -8.827
  223    HA   LYS  27           HA       LYS  27   5.037   0.365  -7.155
  224    HB2  LYS  27           HB3      LYS  27   7.066  -0.772  -7.348
  225    HB3  LYS  27           HB2      LYS  27   5.958  -1.939  -8.032
  226    HG2  LYS  27           HG3      LYS  27   6.508  -1.037 -10.312
  227    HG3  LYS  27           HG2      LYS  27   7.729  -0.017  -9.551
  228    HD2  LYS  27           HD3      LYS  27   8.546  -2.293  -8.474
  229    HD3  LYS  27           HD2      LYS  27   7.667  -3.015  -9.819
  230    HE2  LYS  27           HE3      LYS  27   9.694  -0.820 -10.244
  231    HE3  LYS  27           HE2      LYS  27  10.161  -2.514 -10.177
  232    HZ1  LYS  27           HZ1      LYS  27   9.603  -1.501 -12.444
  233    HZ2  LYS  27           HZ2      LYS  27   7.980  -1.623 -11.952
  234    HZ3  LYS  27           HZ3      LYS  27   8.946  -3.018 -12.064
  235    HA   PRO  28           HA       PRO  28   5.980   4.097  -9.332
  236    HB2  PRO  28           HB3      PRO  28   8.266   4.965  -8.052
  237    HB3  PRO  28           HB2      PRO  28   6.639   5.076  -7.352
  238    HG2  PRO  28           HG3      PRO  28   8.774   3.046  -6.861
  239    HG3  PRO  28           HG2      PRO  28   7.675   3.829  -5.709
  240    HD2  PRO  28           HD3      PRO  28   7.248   1.310  -6.620
  241    HD3  PRO  28           HD2      PRO  28   5.908   2.397  -6.214
  242    H    TYR  29           H        TYR  29   7.202   1.507 -10.322
  243    HA   TYR  29           HA       TYR  29   8.863   0.749 -11.757
  244    HB2  TYR  29           HB3      TYR  29   8.991   2.104 -13.795
  245    HB3  TYR  29           HB2      TYR  29   7.335   1.966 -13.217
  246    HD1  TYR  29           HD1      TYR  29  10.119   4.224 -13.880
  247    HD2  TYR  29           HD2      TYR  29   6.244   3.897 -12.056
  248    HE1  TYR  29           HE1      TYR  29   9.925   6.693 -13.851
  249    HE2  TYR  29           HE2      TYR  29   6.053   6.372 -12.020
  250    HH   TYR  29           HH       TYR  29   8.012   8.386 -13.817
  251    H    GLN  30           H        GLN  30  10.769   0.469 -10.873
  252    HA   GLN  30           HA       GLN  30  13.102   0.815 -11.083
  253    HB2  GLN  30           HB3      GLN  30  14.146   2.847 -11.423
  254    HB3  GLN  30           HB2      GLN  30  12.619   3.075 -12.252
  255    HG2  GLN  30           HG3      GLN  30  11.878   4.094  -9.886
  256    HG3  GLN  30           HG2      GLN  30  13.614   4.295  -9.692
  257   HE21  GLN  30          HE21      GLN  30  12.288   6.646  -9.782
  258   HE22  GLN  30          HE22      GLN  30  12.479   7.403 -11.286
  259    HA   PRO  31           HA       PRO  31  12.314   0.645  -6.537
  260    HB2  PRO  31           HB3      PRO  31  14.262  -1.595  -6.744
  261    HB3  PRO  31           HB2      PRO  31  12.664  -1.560  -5.976
  262    HG2  PRO  31           HG3      PRO  31  13.098  -2.850  -8.283
  263    HG3  PRO  31           HG2      PRO  31  11.564  -2.023  -7.948
  264    HD2  PRO  31           HD3      PRO  31  13.840  -1.137  -9.694
  265    HD3  PRO  31           HD2      PRO  31  12.088  -0.948  -9.937
  266    H    TYR  32           H        TYR  32  15.534  -0.339  -7.657
  267    HA   TYR  32           HA       TYR  32  17.633   0.144  -6.808
  268    HB2  TYR  32           HB3      TYR  32  18.396   2.227  -7.486
  269    HB3  TYR  32           HB2      TYR  32  16.940   2.055  -8.458
  270    HD1  TYR  32           HD1      TYR  32  14.963   3.404  -8.010
  271    HD2  TYR  32           HD2      TYR  32  18.477   3.757  -5.571
  272    HE1  TYR  32           HE1      TYR  32  14.080   5.512  -7.046
  273    HE2  TYR  32           HE2      TYR  32  17.592   5.859  -4.599
  274    HH   TYR  32           HH       TYR  32  15.748   7.726  -5.642
  275    H    ALA  33           H        ALA  33  18.060  -0.397  -4.783
  276    HA   ALA  33           HA       ALA  33  17.349   1.504  -2.633
  277    HB1  ALA  33           HB1      ALA  33  16.782  -0.308  -1.157
  278    HB2  ALA  33           HB2      ALA  33  17.227  -1.499  -2.379
  279    HB3  ALA  33           HB3      ALA  33  15.822  -0.464  -2.629
  280    HA   PRO  34           HA       PRO  34  21.819   0.579  -2.284
  281    HB2  PRO  34           HB3      PRO  34  22.615   2.843  -1.009
  282    HB3  PRO  34           HB2      PRO  34  22.264   2.811  -2.749
  283    HG2  PRO  34           HG3      PRO  34  20.587   3.819  -0.500
  284    HG3  PRO  34           HG2      PRO  34  20.801   4.478  -2.132
  285    HD2  PRO  34           HD3      PRO  34  18.625   2.939  -1.330
  286    HD3  PRO  34           HD2      PRO  34  19.147   3.133  -3.021
  287    H    ALA  35           H        ALA  35  22.153  -0.986  -0.827
  288    HA   ALA  35           HA       ALA  35  21.301  -0.610   1.974
  289    HB1  ALA  35           HB1      ALA  35  20.797  -2.772   0.686
  290    HB2  ALA  35           HB2      ALA  35  21.529  -2.943   2.277
  291    HB3  ALA  35           HB3      ALA  35  22.519  -3.134   0.834
  292    H    ARG  36           H        ARG  36  24.210  -1.884   0.313
  293    HA   ARG  36           HA       ARG  36  26.425  -1.889   1.011
  294    HB2  ARG  36           HB3      ARG  36  26.050   0.497   0.330
  295    HB3  ARG  36           HB2      ARG  36  25.651   0.867   2.003
  296    HG2  ARG  36           HG3      ARG  36  27.987   1.429   1.588
  297    HG3  ARG  36           HG2      ARG  36  27.897   0.072   2.704
  298    HD2  ARG  36           HD3      ARG  36  29.559  -0.000   0.642
  299    HD3  ARG  36           HD2      ARG  36  28.698  -1.452   1.141
  300    HE   ARG  36           HE       ARG  36  27.459  -1.340  -0.829
  301   HH11  ARG  36          HH11      ARG  36  27.056  -0.494  -2.895
  302   HH12  ARG  36          HH12      ARG  36  27.658   1.075  -3.319
  303   HH21  ARG  36          HH21      ARG  36  29.156   1.617  -0.236
  304   HH22  ARG  36          HH22      ARG  36  28.846   2.271  -1.809
  305    H    ASP  37           H        ASP  37  25.620  -3.527   2.637
  306    HA   ASP  37           HA       ASP  37  25.409  -4.344   4.808
  307    HB2  ASP  37           HB3      ASP  37  27.341  -3.800   6.218
  308    HB3  ASP  37           HB2      ASP  37  27.839  -4.113   4.559
  309    H    PHE  38           H        PHE  38  23.398  -3.539   5.509
  310    HA   PHE  38           HA       PHE  38  23.553  -1.533   7.598
  311    HB2  PHE  38           HB3      PHE  38  23.034  -0.579   5.089
  312    HB3  PHE  38           HB2      PHE  38  21.398  -0.907   5.632
  313    HD1  PHE  38           HD1      PHE  38  24.229   1.318   5.837
  314    HD2  PHE  38           HD2      PHE  38  20.637   0.115   7.869
  315    HE1  PHE  38           HE1      PHE  38  24.266   3.418   7.152
  316    HE2  PHE  38           HE2      PHE  38  20.681   2.212   9.186
  317    HZ   PHE  38           HZ       PHE  38  22.495   3.865   8.828
  318    H    ALA  39           H        ALA  39  22.497  -4.376   6.475
  319    HA   ALA  39           HA       ALA  39  19.773  -4.365   7.448
  320    HB1  ALA  39           HB1      ALA  39  21.454  -6.821   6.920
  321    HB2  ALA  39           HB2      ALA  39  20.622  -5.928   5.643
  322    HB3  ALA  39           HB3      ALA  39  19.698  -6.689   6.933
  323    H    ALA  40           H        ALA  40  22.820  -4.627   8.994
  324    HA   ALA  40           HA       ALA  40  21.485  -5.216  11.506
  325    HB1  ALA  40           HB1      ALA  40  23.821  -6.966  10.708
  326    HB2  ALA  40           HB2      ALA  40  22.147  -7.436  10.434
  327    HB3  ALA  40           HB3      ALA  40  22.720  -7.161  12.076
  328    H    TYR  41           H        TYR  41  24.627  -4.685   9.912
  329    HA   TYR  41           HA       TYR  41  26.536  -3.519  10.656
  330    HB2  TYR  41           HB3      TYR  41  25.339  -1.719   9.764
  331    HB3  TYR  41           HB2      TYR  41  24.120  -1.768  11.031
  332    HD1  TYR  41           HD1      TYR  41  27.725  -0.978  10.396
  333    HD2  TYR  41           HD2      TYR  41  24.315  -0.417  12.950
  334    HE1  TYR  41           HE1      TYR  41  28.960   0.756  11.672
  335    HE2  TYR  41           HE2      TYR  41  25.549   1.313  14.222
  336    HH   TYR  41           HH       TYR  41  27.372   2.685  14.157
  337    H    ARG  42           H        ARG  42  24.799  -5.008  12.960
  338    HA   ARG  42           HA       ARG  42  24.986  -5.266  15.250
  339    HB2  ARG  42           HB3      ARG  42  27.731  -4.072  15.327
  340    HB3  ARG  42           HB2      ARG  42  27.151  -5.602  15.977
  341    HG2  ARG  42           HG3      ARG  42  27.043  -6.446  13.581
  342    HG3  ARG  42           HG2      ARG  42  27.945  -4.997  13.124
  343    HD2  ARG  42           HD3      ARG  42  29.545  -5.742  15.098
  344    HD3  ARG  42           HD2      ARG  42  28.816  -7.318  14.820
  345    HE   ARG  42           HE       ARG  42  29.898  -7.422  12.741
  346   HH11  ARG  42          HH11      ARG  42  31.607  -6.756  11.395
  347   HH12  ARG  42          HH12      ARG  42  32.295  -5.180  11.595
  348   HH21  ARG  42          HH21      ARG  42  30.217  -4.309  14.227
  349   HH22  ARG  42          HH22      ARG  42  31.509  -3.796  13.194
  350    HA   PRO  43           HA       PRO  43  24.216  -1.538  17.518
  351    HB2  PRO  43           HB3      PRO  43  26.671  -1.754  19.221
  352    HB3  PRO  43           HB2      PRO  43  24.968  -1.635  19.710
  353    HG2  PRO  43           HG3      PRO  43  26.245  -3.940  19.888
  354    HG3  PRO  43           HG2      PRO  43  24.568  -3.889  19.310
  355    HD2  PRO  43           HD3      PRO  43  27.099  -4.168  17.715
  356    HD3  PRO  43           HD2      PRO  43  25.554  -5.037  17.529
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1 -37.506   4.201  -1.398
    2    H2   GLY   1           H2       GLY   1 -38.656   4.306  -2.646
    3    H3   GLY   1           H3       GLY   1 -37.350   5.393  -2.595
    4    HA2  GLY   1           HA2      GLY   1 -36.781   3.842  -4.249
    5    HA3  GLY   1           HA1      GLY   1 -35.840   3.407  -2.821
    6    H    THR   2           H        THR   2 -35.685   1.214  -3.091
    7    HA   THR   2           HA       THR   2 -36.318  -0.999  -3.088
    8    HB   THR   2           HB       THR   2 -38.013  -1.578  -1.595
    9    HG1  THR   2           HG1      THR   2 -39.412   0.821  -1.938
   10   HG21  THR   2          HG21      THR   2 -36.374   0.277  -0.722
   11   HG22  THR   2          HG22      THR   2 -37.789  -0.139   0.242
   12   HG23  THR   2          HG23      THR   2 -37.805   1.307  -0.764
   13    H    ASN   3           H        ASN   3 -37.695  -2.583  -4.178
   14    HA   ASN   3           HA       ASN   3 -38.697  -3.331  -6.092
   15    HB2  ASN   3           HB3      ASN   3 -40.953  -2.507  -6.506
   16    HB3  ASN   3           HB2      ASN   3 -40.682  -2.716  -4.781
   17   HD21  ASN   3          HD21      ASN   3 -40.531  -0.133  -7.306
   18   HD22  ASN   3          HD22      ASN   3 -41.023   1.106  -6.256
   19    H    SER   4           H        SER   4 -38.044  -3.185  -8.118
   20    HA   SER   4           HA       SER   4 -37.385  -2.292 -10.153
   21    HB2  SER   4           HB3      SER   4 -38.728  -0.629 -11.034
   22    HB3  SER   4           HB2      SER   4 -39.738  -1.140  -9.684
   23    HG   SER   4           HG       SER   4 -38.708   1.247 -10.142
   24    H    ARG   5           H        ARG   5 -35.615  -2.068  -7.993
   25    HA   ARG   5           HA       ARG   5 -34.563   0.447  -7.450
   26    HB2  ARG   5           HB3      ARG   5 -33.156  -2.214  -7.757
   27    HB3  ARG   5           HB2      ARG   5 -32.361  -0.758  -7.160
   28    HG2  ARG   5           HG3      ARG   5 -34.006  -0.592  -5.333
   29    HG3  ARG   5           HG2      ARG   5 -34.819  -2.042  -5.922
   30    HD2  ARG   5           HD3      ARG   5 -32.712  -3.321  -5.604
   31    HD3  ARG   5           HD2      ARG   5 -31.955  -1.874  -4.945
   32    HE   ARG   5           HE       ARG   5 -33.774  -3.629  -3.574
   33   HH11  ARG   5          HH11      ARG   5 -34.297  -3.062  -1.441
   34   HH12  ARG   5          HH12      ARG   5 -33.988  -1.454  -0.876
   35   HH21  ARG   5          HH21      ARG   5 -32.666  -0.366  -3.891
   36   HH22  ARG   5          HH22      ARG   5 -33.066   0.072  -2.263
   37    H    ARG   6           H        ARG   6 -33.790  -1.694 -10.225
   38    HA   ARG   6           HA       ARG   6 -32.778  -1.258 -12.230
   39    HB2  ARG   6           HB3      ARG   6 -34.699   0.393 -12.259
   40    HB3  ARG   6           HB2      ARG   6 -33.550   1.618 -11.727
   41    HG2  ARG   6           HG3      ARG   6 -32.196   1.301 -13.711
   42    HG3  ARG   6           HG2      ARG   6 -33.181  -0.072 -14.215
   43    HD2  ARG   6           HD3      ARG   6 -34.264   2.731 -13.845
   44    HD3  ARG   6           HD2      ARG   6 -33.735   2.087 -15.396
   45    HE   ARG   6           HE       ARG   6 -35.498   0.220 -14.725
   46   HH11  ARG   6          HH11      ARG   6 -37.762   0.297 -14.868
   47   HH12  ARG   6          HH12      ARG   6 -38.581   1.820 -14.764
   48   HH21  ARG   6          HH21      ARG   6 -35.676   3.669 -14.387
   49   HH22  ARG   6          HH22      ARG   6 -37.403   3.722 -14.492
   50    H    ASN   7           H        ASN   7 -30.703  -1.754 -11.502
   51    HA   ASN   7           HA       ASN   7 -28.471  -1.411 -11.090
   52    HB2  ASN   7           HB3      ASN   7 -27.414   0.254 -12.331
   53    HB3  ASN   7           HB2      ASN   7 -28.912   0.009 -13.215
   54   HD21  ASN   7          HD21      ASN   7 -30.186   1.960 -13.558
   55   HD22  ASN   7          HD22      ASN   7 -29.924   3.398 -12.701
   56    H    ARG   8           H        ARG   8 -27.415  -1.044  -9.250
   57    HA   ARG   8           HA       ARG   8 -28.618   0.437  -7.146
   58    HB2  ARG   8           HB3      ARG   8 -26.895  -1.528  -6.981
   59    HB3  ARG   8           HB2      ARG   8 -25.684  -0.251  -7.107
   60    HG2  ARG   8           HG3      ARG   8 -25.996  -0.422  -4.789
   61    HG3  ARG   8           HG2      ARG   8 -27.062   0.916  -5.215
   62    HD2  ARG   8           HD3      ARG   8 -28.674  -0.279  -4.109
   63    HD3  ARG   8           HD2      ARG   8 -28.728  -1.286  -5.551
   64    HE   ARG   8           HE       ARG   8 -27.641  -2.966  -4.359
   65   HH11  ARG   8          HH11      ARG   8 -26.768  -3.850  -2.455
   66   HH12  ARG   8          HH12      ARG   8 -26.404  -2.816  -1.114
   67   HH21  ARG   8          HH21      ARG   8 -27.470   0.071  -2.706
   68   HH22  ARG   8          HH22      ARG   8 -26.801  -0.599  -1.255
   69    H    LEU   9           H        LEU   9 -25.883   1.205  -9.313
   70    HA   LEU   9           HA       LEU   9 -26.380   4.027  -8.953
   71    HB2  LEU   9           HB3      LEU   9 -24.778   3.019  -7.036
   72    HB3  LEU   9           HB2      LEU   9 -23.559   3.294  -8.271
   73    HG   LEU   9           HG       LEU   9 -23.704   5.244  -6.827
   74   HD11  LEU   9          HD11      LEU   9 -23.242   5.704  -9.182
   75   HD12  LEU   9          HD12      LEU   9 -24.210   7.000  -8.491
   76   HD13  LEU   9          HD13      LEU   9 -24.970   5.797  -9.524
   77   HD21  LEU   9          HD21      LEU   9 -25.643   6.307  -6.182
   78   HD22  LEU   9          HD22      LEU   9 -26.291   4.686  -6.400
   79   HD23  LEU   9          HD23      LEU   9 -26.508   5.900  -7.660
   80    H    LEU  10           H        LEU  10 -26.468   2.310 -11.174
   81    HA   LEU  10           HA       LEU  10 -25.421   1.801 -13.220
   82    HB2  LEU  10           HB3      LEU  10 -25.304   3.919 -14.565
   83    HB3  LEU  10           HB2      LEU  10 -26.846   3.573 -13.793
   84    HG   LEU  10           HG       LEU  10 -24.905   5.263 -12.240
   85   HD11  LEU  10          HD11      LEU  10 -25.659   7.303 -13.427
   86   HD12  LEU  10          HD12      LEU  10 -26.512   6.296 -14.599
   87   HD13  LEU  10          HD13      LEU  10 -24.753   6.231 -14.493
   88   HD21  LEU  10          HD21      LEU  10 -27.239   4.578 -11.463
   89   HD22  LEU  10          HD22      LEU  10 -27.874   5.622 -12.732
   90   HD23  LEU  10          HD23      LEU  10 -26.908   6.307 -11.424
   91    H    GLN  11           H        GLN  11 -23.480   1.002 -13.563
   92    HA   GLN  11           HA       GLN  11 -21.202   0.924 -13.926
   93    HB2  GLN  11           HB3      GLN  11 -20.554   2.651 -15.252
   94    HB3  GLN  11           HB2      GLN  11 -22.000   3.529 -14.786
   95    HG2  GLN  11           HG3      GLN  11 -20.770   4.451 -12.818
   96    HG3  GLN  11           HG2      GLN  11 -19.322   3.605 -13.357
   97   HE21  GLN  11          HE21      GLN  11 -19.880   6.576 -13.137
   98   HE22  GLN  11          HE22      GLN  11 -19.548   7.189 -14.684
   99    H    SER  12           H        SER  12 -19.472   0.724 -12.660
  100    HA   SER  12           HA       SER  12 -18.311   0.539 -10.662
  101    HB2  SER  12           HB3      SER  12 -17.941   2.695  -9.488
  102    HB3  SER  12           HB2      SER  12 -17.677   2.813 -11.226
  103    HG   SER  12           HG       SER  12 -19.008   4.503 -10.227
  104    H    ASP  13           H        ASP  13 -21.598   0.778 -10.665
  105    HA   ASP  13           HA       ASP  13 -23.253   0.729  -9.039
  106    HB2  ASP  13           HB3      ASP  13 -23.052  -1.199  -7.629
  107    HB3  ASP  13           HB2      ASP  13 -22.302  -1.586  -9.175
  108    H    TYR  14           H        TYR  14 -23.105   0.147  -6.291
  109    HA   TYR  14           HA       TYR  14 -22.549   2.724  -5.275
  110    HB2  TYR  14           HB3      TYR  14 -24.332   1.187  -4.410
  111    HB3  TYR  14           HB2      TYR  14 -23.056   0.190  -3.712
  112    HD1  TYR  14           HD1      TYR  14 -24.944   3.298  -3.447
  113    HD2  TYR  14           HD2      TYR  14 -21.609   1.083  -1.909
  114    HE1  TYR  14           HE1      TYR  14 -24.852   4.808  -1.476
  115    HE2  TYR  14           HE2      TYR  14 -21.509   2.586   0.060
  116    HH   TYR  14           HH       TYR  14 -23.200   5.536   0.205
  117    H    MET  15           H        MET  15 -20.506   0.147  -5.891
  118    HA   MET  15           HA       MET  15 -18.568  -0.599  -4.672
  119    HB2  MET  15           HB3      MET  15 -18.013   0.481  -6.793
  120    HB3  MET  15           HB2      MET  15 -17.973   2.050  -5.999
  121    HG2  MET  15           HG3      MET  15 -15.702   1.129  -6.310
  122    HG3  MET  15           HG2      MET  15 -16.086   1.291  -4.605
  123    HE1  MET  15           HE1      MET  15 -14.706  -0.210  -3.432
  124    HE2  MET  15           HE2      MET  15 -15.129  -1.908  -3.232
  125    HE3  MET  15           HE3      MET  15 -16.340  -0.665  -2.928
  126    H    ASN  16           H        ASN  16 -19.357  -0.331  -2.485
  127    HA   ASN  16           HA       ASN  16 -19.412   1.770  -0.810
  128    HB2  ASN  16           HB3      ASN  16 -19.693  -0.585  -0.053
  129    HB3  ASN  16           HB2      ASN  16 -17.942  -0.789  -0.107
  130   HD21  ASN  16          HD21      ASN  16 -19.057   2.361   0.864
  131   HD22  ASN  16          HD22      ASN  16 -18.772   2.166   2.526
  132    H    MET  17           H        MET  17 -18.038   3.036   0.398
  133    HA   MET  17           HA       MET  17 -16.059   4.087   1.047
  134    HB2  MET  17           HB3      MET  17 -14.451   2.383  -0.867
  135    HB3  MET  17           HB2      MET  17 -13.888   3.315   0.503
  136    HG2  MET  17           HG3      MET  17 -14.023   1.432   1.769
  137    HG3  MET  17           HG2      MET  17 -15.768   1.487   1.599
  138    HE1  MET  17           HE1      MET  17 -16.071  -0.777   1.959
  139    HE2  MET  17           HE2      MET  17 -14.444  -1.450   1.996
  140    HE3  MET  17           HE3      MET  17 -15.649  -2.135   0.908
  141    H    THR  18           H        THR  18 -15.640   3.212  -2.410
  142    HA   THR  18           HA       THR  18 -16.459   5.744  -3.357
  143    HB   THR  18           HB       THR  18 -14.212   6.252  -2.165
  144    HG1  THR  18           HG1      THR  18 -14.350   7.927  -3.379
  145   HG21  THR  18          HG21      THR  18 -12.198   5.737  -3.295
  146   HG22  THR  18          HG22      THR  18 -13.044   5.255  -4.767
  147   HG23  THR  18          HG23      THR  18 -13.106   4.226  -3.336
  148    HA   PRO  19           HA       PRO  19 -16.543   3.391  -7.184
  149    HB2  PRO  19           HB3      PRO  19 -15.477   5.814  -8.578
  150    HB3  PRO  19           HB2      PRO  19 -16.922   4.851  -8.944
  151    HG2  PRO  19           HG3      PRO  19 -17.052   7.278  -7.774
  152    HG3  PRO  19           HG2      PRO  19 -18.225   5.991  -7.446
  153    HD2  PRO  19           HD3      PRO  19 -16.056   7.038  -5.696
  154    HD3  PRO  19           HD2      PRO  19 -17.576   6.225  -5.262
  155    H    ARG  20           H        ARG  20 -15.071   2.216  -8.412
  156    HA   ARG  20           HA       ARG  20 -12.820   1.228  -7.852
  157    HB2  ARG  20           HB3      ARG  20 -13.674   1.100 -10.154
  158    HB3  ARG  20           HB2      ARG  20 -12.975   2.683 -10.495
  159    HG2  ARG  20           HG3      ARG  20 -10.731   1.837 -10.050
  160    HG3  ARG  20           HG2      ARG  20 -11.389   0.273  -9.562
  161    HD2  ARG  20           HD3      ARG  20 -12.286  -0.084 -11.786
  162    HD3  ARG  20           HD2      ARG  20 -11.750   1.512 -12.289
  163    HE   ARG  20           HE       ARG  20 -10.122  -0.856 -12.104
  164   HH11  ARG  20          HH11      ARG  20  -7.936  -0.589 -12.675
  165   HH12  ARG  20          HH12      ARG  20  -7.258   1.002 -12.759
  166   HH21  ARG  20          HH21      ARG  20 -10.204   2.592 -11.869
  167   HH22  ARG  20          HH22      ARG  20  -8.541   2.804 -12.302
  168    H    ARG  21           H        ARG  21 -11.165   1.804  -6.689
  169    HA   ARG  21           HA       ARG  21 -10.251   4.539  -6.607
  170    HB2  ARG  21           HB3      ARG  21  -8.459   3.310  -5.019
  171    HB3  ARG  21           HB2      ARG  21 -10.089   3.682  -4.470
  172    HG2  ARG  21           HG3      ARG  21  -9.450   1.346  -3.950
  173    HG3  ARG  21           HG2      ARG  21 -10.832   1.419  -5.038
  174    HD2  ARG  21           HD3      ARG  21  -9.575   0.716  -6.888
  175    HD3  ARG  21           HD2      ARG  21  -8.047   1.215  -6.168
  176    HE   ARG  21           HE       ARG  21  -9.291  -1.337  -5.879
  177   HH11  ARG  21          HH11      ARG  21  -8.348  -2.797  -4.422
  178   HH12  ARG  21          HH12      ARG  21  -7.246  -2.224  -3.216
  179   HH21  ARG  21          HH21      ARG  21  -7.470   1.093  -4.207
  180   HH22  ARG  21          HH22      ARG  21  -6.747  -0.021  -3.093
  181    HA   PRO  22           HA       PRO  22  -6.947   4.038  -9.521
  182    HB2  PRO  22           HB3      PRO  22  -5.219   5.975  -8.744
  183    HB3  PRO  22           HB2      PRO  22  -6.818   6.372  -9.413
  184    HG2  PRO  22           HG3      PRO  22  -5.971   6.211  -6.547
  185    HG3  PRO  22           HG2      PRO  22  -6.884   7.492  -7.368
  186    HD2  PRO  22           HD3      PRO  22  -8.124   5.573  -5.895
  187    HD3  PRO  22           HD2      PRO  22  -8.872   6.267  -7.356
  188    H    GLY  23           H        GLY  23  -5.594   2.336  -9.496
  189    HA2  GLY  23           HA2      GLY  23  -4.548   1.032  -7.302
  190    HA3  GLY  23           HA1      GLY  23  -3.812   0.961  -8.902
  191    H    LEU  24           H        LEU  24  -2.765   1.198  -6.034
  192    HA   LEU  24           HA       LEU  24  -0.578   2.971  -6.670
  193    HB2  LEU  24           HB3      LEU  24  -2.486   4.426  -5.732
  194    HB3  LEU  24           HB2      LEU  24  -2.175   3.617  -4.198
  195    HG   LEU  24           HG       LEU  24   0.361   4.313  -4.747
  196   HD11  LEU  24          HD11      LEU  24   0.475   6.494  -5.859
  197   HD12  LEU  24          HD12      LEU  24  -1.268   6.478  -6.122
  198   HD13  LEU  24          HD13      LEU  24  -0.240   5.313  -6.955
  199   HD21  LEU  24          HD21      LEU  24  -0.820   5.022  -2.738
  200   HD22  LEU  24          HD22      LEU  24  -1.773   6.183  -3.663
  201   HD23  LEU  24          HD23      LEU  24  -0.038   6.428  -3.460
  202    H    THR  25           H        THR  25  -0.707   0.228  -6.214
  203    HA   THR  25           HA       THR  25   0.415  -0.141  -3.494
  204    HB   THR  25           HB       THR  25   0.196  -2.620  -4.092
  205    HG1  THR  25           HG1      THR  25  -0.717  -1.411  -6.367
  206   HG21  THR  25          HG21      THR  25  -2.173  -0.780  -3.737
  207   HG22  THR  25          HG22      THR  25  -1.453  -1.901  -2.581
  208   HG23  THR  25          HG23      THR  25  -2.413  -2.514  -3.924
  209    H    ARG  26           H        ARG  26   1.030  -1.676  -6.645
  210    HA   ARG  26           HA       ARG  26   3.627  -2.442  -6.214
  211    HB2  ARG  26           HB3      ARG  26   3.921  -1.996  -8.776
  212    HB3  ARG  26           HB2      ARG  26   2.750  -3.198  -8.248
  213    HG2  ARG  26           HG3      ARG  26   1.746  -1.769  -9.954
  214    HG3  ARG  26           HG2      ARG  26   0.951  -1.482  -8.411
  215    HD2  ARG  26           HD3      ARG  26   1.919   0.618  -8.153
  216    HD3  ARG  26           HD2      ARG  26   3.301   0.229  -9.175
  217    HE   ARG  26           HE       ARG  26   1.266   0.157 -10.945
  218   HH11  ARG  26          HH11      ARG  26   0.444   1.976 -12.035
  219   HH12  ARG  26          HH12      ARG  26   0.562   3.542 -11.304
  220   HH21  ARG  26          HH21      ARG  26   2.170   2.375  -8.458
  221   HH22  ARG  26          HH22      ARG  26   1.541   3.769  -9.273
  222    H    LYS  27           H        LYS  27   5.664  -1.501  -7.091
  223    HA   LYS  27           HA       LYS  27   6.009   1.107  -6.005
  224    HB2  LYS  27           HB3      LYS  27   7.692  -1.044  -6.427
  225    HB3  LYS  27           HB2      LYS  27   8.221   0.061  -7.683
  226    HG2  LYS  27           HG3      LYS  27   9.538   0.981  -6.048
  227    HG3  LYS  27           HG2      LYS  27   8.071   1.754  -5.475
  228    HD2  LYS  27           HD3      LYS  27   8.825   0.713  -3.519
  229    HD3  LYS  27           HD2      LYS  27   7.745  -0.533  -4.144
  230    HE2  LYS  27           HE3      LYS  27   9.736  -1.688  -3.599
  231    HE3  LYS  27           HE2      LYS  27   9.819  -1.476  -5.349
  232    HZ1  LYS  27           HZ1      LYS  27  11.015   0.718  -4.686
  233    HZ2  LYS  27           HZ2      LYS  27  11.873  -0.748  -4.702
  234    HZ3  LYS  27           HZ3      LYS  27  11.318  -0.102  -3.231
  235    HA   PRO  28           HA       PRO  28   4.522   3.304  -9.701
  236    HB2  PRO  28           HB3      PRO  28   6.381   5.385  -8.574
  237    HB3  PRO  28           HB2      PRO  28   4.732   5.572  -9.205
  238    HG2  PRO  28           HG3      PRO  28   5.219   5.517  -6.586
  239    HG3  PRO  28           HG2      PRO  28   3.764   4.772  -7.273
  240    HD2  PRO  28           HD3      PRO  28   6.191   3.458  -6.154
  241    HD3  PRO  28           HD2      PRO  28   4.525   2.845  -6.270
  242    H    TYR  29           H        TYR  29   5.842   1.739 -10.998
  243    HA   TYR  29           HA       TYR  29   7.553   1.171 -12.473
  244    HB2  TYR  29           HB3      TYR  29   8.159   3.355 -13.897
  245    HB3  TYR  29           HB2      TYR  29   6.580   2.590 -14.026
  246    HD1  TYR  29           HD1      TYR  29   8.426   5.528 -12.890
  247    HD2  TYR  29           HD2      TYR  29   4.626   3.525 -12.794
  248    HE1  TYR  29           HE1      TYR  29   7.351   7.608 -12.084
  249    HE2  TYR  29           HE2      TYR  29   3.550   5.611 -11.993
  250    HH   TYR  29           HH       TYR  29   5.476   8.531 -11.317
  251    H    GLN  30           H        GLN  30   9.845   1.814 -13.307
  252    HA   GLN  30           HA       GLN  30  12.046   1.627 -12.423
  253    HB2  GLN  30           HB3      GLN  30  13.035   3.822 -12.371
  254    HB3  GLN  30           HB2      GLN  30  11.792   3.811 -13.614
  255    HG2  GLN  30           HG3      GLN  30  10.329   4.674 -11.451
  256    HG3  GLN  30           HG2      GLN  30  11.903   5.336 -11.052
  257   HE21  GLN  30          HE21      GLN  30  10.746   7.477 -11.407
  258   HE22  GLN  30          HE22      GLN  30  10.633   8.069 -12.995
  259    HA   PRO  31           HA       PRO  31  10.707   1.553  -7.960
  260    HB2  PRO  31           HB3      PRO  31  12.408  -0.897  -8.052
  261    HB3  PRO  31           HB2      PRO  31  10.798  -0.671  -7.339
  262    HG2  PRO  31           HG3      PRO  31  11.132  -2.004  -9.632
  263    HG3  PRO  31           HG2      PRO  31   9.717  -0.972  -9.354
  264    HD2  PRO  31           HD3      PRO  31  12.149  -0.424 -11.024
  265    HD3  PRO  31           HD2      PRO  31  10.455   0.035 -11.315
  266    H    TYR  32           H        TYR  32  13.914   0.385  -8.968
  267    HA   TYR  32           HA       TYR  32  15.995   0.719  -7.974
  268    HB2  TYR  32           HB3      TYR  32  16.830   2.676  -8.825
  269    HB3  TYR  32           HB2      TYR  32  15.238   2.791  -9.564
  270    HD1  TYR  32           HD1      TYR  32  13.556   4.339  -8.693
  271    HD2  TYR  32           HD2      TYR  32  17.442   4.038  -6.901
  272    HE1  TYR  32           HE1      TYR  32  13.134   6.436  -7.442
  273    HE2  TYR  32           HE2      TYR  32  17.028   6.138  -5.649
  274    HH   TYR  32           HH       TYR  32  14.633   8.286  -6.406
  275    H    ALA  33           H        ALA  33  16.351   0.167  -5.907
  276    HA   ALA  33           HA       ALA  33  15.939   2.183  -3.830
  277    HB1  ALA  33           HB1      ALA  33  14.745  -0.564  -3.456
  278    HB2  ALA  33           HB2      ALA  33  13.799   0.817  -4.008
  279    HB3  ALA  33           HB3      ALA  33  14.564   0.852  -2.420
  280    HA   PRO  34           HA       PRO  34  19.770  -0.542  -3.593
  281    HB2  PRO  34           HB3      PRO  34  20.895   2.117  -2.790
  282    HB3  PRO  34           HB2      PRO  34  21.573   0.890  -3.882
  283    HG2  PRO  34           HG3      PRO  34  20.505   3.139  -4.834
  284    HG3  PRO  34           HG2      PRO  34  20.299   1.593  -5.677
  285    HD2  PRO  34           HD3      PRO  34  18.321   3.098  -3.995
  286    HD3  PRO  34           HD2      PRO  34  18.046   2.131  -5.464
  287    H    ALA  35           H        ALA  35  19.168  -1.658  -1.804
  288    HA   ALA  35           HA       ALA  35  19.309  -0.262   0.818
  289    HB1  ALA  35           HB1      ALA  35  17.028  -1.221   0.155
  290    HB2  ALA  35           HB2      ALA  35  17.675  -1.719   1.716
  291    HB3  ALA  35           HB3      ALA  35  17.756  -2.816   0.342
  292    H    ARG  36           H        ARG  36  19.477  -3.620  -0.393
  293    HA   ARG  36           HA       ARG  36  20.726  -5.321   0.823
  294    HB2  ARG  36           HB3      ARG  36  22.921  -5.351  -0.530
  295    HB3  ARG  36           HB2      ARG  36  21.410  -5.456  -1.412
  296    HG2  ARG  36           HG3      ARG  36  22.602  -3.872  -2.659
  297    HG3  ARG  36           HG2      ARG  36  21.614  -2.847  -1.632
  298    HD2  ARG  36           HD3      ARG  36  24.387  -3.648  -0.755
  299    HD3  ARG  36           HD2      ARG  36  24.145  -2.305  -1.865
  300    HE   ARG  36           HE       ARG  36  22.556  -2.251   0.582
  301   HH11  ARG  36          HH11      ARG  36  22.914  -0.465   1.909
  302   HH12  ARG  36          HH12      ARG  36  24.258   0.585   1.607
  303   HH21  ARG  36          HH21      ARG  36  25.367  -1.201  -1.153
  304   HH22  ARG  36          HH22      ARG  36  25.645   0.168  -0.132
  305    H    ASP  37           H        ASP  37  20.691  -3.681   2.809
  306    HA   ASP  37           HA       ASP  37  22.077  -2.226   4.205
  307    HB2  ASP  37           HB3      ASP  37  21.245  -4.214   5.340
  308    HB3  ASP  37           HB2      ASP  37  22.625  -5.146   4.761
  309    H    PHE  38           H        PHE  38  24.262  -4.886   4.152
  310    HA   PHE  38           HA       PHE  38  26.201  -3.805   2.434
  311    HB2  PHE  38           HB3      PHE  38  26.159  -2.644   5.074
  312    HB3  PHE  38           HB2      PHE  38  27.633  -3.585   4.914
  313    HD1  PHE  38           HD1      PHE  38  25.937  -0.528   4.016
  314    HD2  PHE  38           HD2      PHE  38  29.134  -3.168   2.867
  315    HE1  PHE  38           HE1      PHE  38  26.923   1.266   2.618
  316    HE2  PHE  38           HE2      PHE  38  30.110  -1.373   1.469
  317    HZ   PHE  38           HZ       PHE  38  29.005   0.843   1.341
  318    H    ALA  39           H        ALA  39  24.873  -6.104   4.317
  319    HA   ALA  39           HA       ALA  39  25.361  -8.317   4.771
  320    HB1  ALA  39           HB1      ALA  39  26.842  -9.425   3.073
  321    HB2  ALA  39           HB2      ALA  39  27.136  -7.834   2.372
  322    HB3  ALA  39           HB3      ALA  39  25.505  -8.507   2.378
  323    H    ALA  40           H        ALA  40  26.663  -6.634   6.488
  324    HA   ALA  40           HA       ALA  40  28.224  -6.957   8.188
  325    HB1  ALA  40           HB1      ALA  40  29.948  -8.748   6.506
  326    HB2  ALA  40           HB2      ALA  40  28.419  -9.373   7.123
  327    HB3  ALA  40           HB3      ALA  40  29.646  -8.785   8.245
  328    H    TYR  41           H        TYR  41  28.253  -4.784   6.731
  329    HA   TYR  41           HA       TYR  41  29.582  -3.018   5.923
  330    HB2  TYR  41           HB3      TYR  41  30.497  -3.236   8.195
  331    HB3  TYR  41           HB2      TYR  41  31.649  -4.442   7.617
  332    HD1  TYR  41           HD1      TYR  41  30.508  -0.926   7.025
  333    HD2  TYR  41           HD2      TYR  41  33.717  -3.762   6.700
  334    HE1  TYR  41           HE1      TYR  41  32.035   0.886   6.291
  335    HE2  TYR  41           HE2      TYR  41  35.243  -1.951   5.967
  336    HH   TYR  41           HH       TYR  41  35.192   0.222   5.024
  337    H    ARG  42           H        ARG  42  29.657  -5.859   4.676
  338    HA   ARG  42           HA       ARG  42  31.915  -6.673   3.476
  339    HB2  ARG  42           HB3      ARG  42  29.585  -7.445   2.853
  340    HB3  ARG  42           HB2      ARG  42  29.499  -6.055   1.768
  341    HG2  ARG  42           HG3      ARG  42  31.343  -6.852   0.460
  342    HG3  ARG  42           HG2      ARG  42  31.732  -8.097   1.646
  343    HD2  ARG  42           HD3      ARG  42  28.949  -8.281   0.666
  344    HD3  ARG  42           HD2      ARG  42  30.148  -8.491  -0.604
  345    HE   ARG  42           HE       ARG  42  29.523 -10.379   1.410
  346   HH11  ARG  42          HH11      ARG  42  30.851 -12.206   1.605
  347   HH12  ARG  42          HH12      ARG  42  32.455 -12.180   0.953
  348   HH21  ARG  42          HH21      ARG  42  32.193  -8.934  -0.246
  349   HH22  ARG  42          HH22      ARG  42  33.217 -10.324  -0.097
  350    HA   PRO  43           HA       PRO  43  33.452  -2.549   2.085
  351    HB2  PRO  43           HB3      PRO  43  35.629  -4.401   1.155
  352    HB3  PRO  43           HB2      PRO  43  35.762  -2.813   1.943
  353    HG2  PRO  43           HG3      PRO  43  36.178  -5.024   3.331
  354    HG3  PRO  43           HG2      PRO  43  35.279  -3.672   4.044
  355    HD2  PRO  43           HD3      PRO  43  34.244  -6.280   3.000
  356    HD3  PRO  43           HD2      PRO  43  33.664  -5.304   4.365
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1 -32.641   5.459  -2.198
    2    H2   GLY   1           H2       GLY   1 -34.002   5.440  -3.212
    3    H3   GLY   1           H3       GLY   1 -32.718   6.503  -3.531
    4    HA2  GLY   1           HA2      GLY   1 -32.510   4.740  -5.072
    5    HA3  GLY   1           HA1      GLY   1 -31.256   4.521  -3.851
    6    H    THR   2           H        THR   2 -31.086   2.306  -3.931
    7    HA   THR   2           HA       THR   2 -31.596   0.102  -3.526
    8    HB   THR   2           HB       THR   2 -32.771  -0.322  -1.565
    9    HG1  THR   2           HG1      THR   2 -34.357   1.952  -1.660
   10   HG21  THR   2          HG21      THR   2 -31.079   1.671  -1.391
   11   HG22  THR   2          HG22      THR   2 -32.158   1.346  -0.036
   12   HG23  THR   2          HG23      THR   2 -32.527   2.650  -1.162
   13    H    ASN   3           H        ASN   3 -33.111  -1.628  -4.012
   14    HA   ASN   3           HA       ASN   3 -34.653  -2.634  -5.374
   15    HB2  ASN   3           HB3      ASN   3 -36.875  -1.984  -5.069
   16    HB3  ASN   3           HB2      ASN   3 -36.091  -1.338  -3.635
   17   HD21  ASN   3          HD21      ASN   3 -36.890  -0.285  -6.998
   18   HD22  ASN   3          HD22      ASN   3 -37.261   1.309  -6.560
   19    H    SER   4           H        SER   4 -34.866  -2.846  -7.518
   20    HA   SER   4           HA       SER   4 -34.953  -2.299  -9.777
   21    HB2  SER   4           HB3      SER   4 -35.980  -0.334 -10.404
   22    HB3  SER   4           HB2      SER   4 -36.439  -0.347  -8.704
   23    HG   SER   4           HG       SER   4 -35.497   1.560  -8.809
   24    H    ARG   5           H        ARG   5 -32.429  -2.446  -8.318
   25    HA   ARG   5           HA       ARG   5 -30.717  -0.313  -9.114
   26    HB2  ARG   5           HB3      ARG   5 -30.106  -3.146  -8.252
   27    HB3  ARG   5           HB2      ARG   5 -28.870  -1.928  -8.570
   28    HG2  ARG   5           HG3      ARG   5 -29.846  -0.465  -6.849
   29    HG3  ARG   5           HG2      ARG   5 -31.102  -1.663  -6.530
   30    HD2  ARG   5           HD3      ARG   5 -29.334  -3.308  -5.922
   31    HD3  ARG   5           HD2      ARG   5 -28.118  -2.056  -6.160
   32    HE   ARG   5           HE       ARG   5 -29.827  -2.364  -3.873
   33   HH11  ARG   5          HH11      ARG   5 -29.604  -0.801  -2.236
   34   HH12  ARG   5          HH12      ARG   5 -28.814   0.702  -2.581
   35   HH21  ARG   5          HH21      ARG   5 -28.174  -0.087  -5.893
   36   HH22  ARG   5          HH22      ARG   5 -28.004   1.103  -4.648
   37    H    ARG   6           H        ARG   6 -29.643   0.052 -10.972
   38    HA   ARG   6           HA       ARG   6 -28.876  -2.022 -12.772
   39    HB2  ARG   6           HB3      ARG   6 -30.267  -1.634 -14.645
   40    HB3  ARG   6           HB2      ARG   6 -31.363  -1.744 -13.281
   41    HG2  ARG   6           HG3      ARG   6 -30.398   0.981 -14.194
   42    HG3  ARG   6           HG2      ARG   6 -31.689   0.166 -15.057
   43    HD2  ARG   6           HD3      ARG   6 -32.609   1.638 -13.333
   44    HD3  ARG   6           HD2      ARG   6 -32.967  -0.049 -12.973
   45    HE   ARG   6           HE       ARG   6 -31.490   0.039 -11.158
   46   HH11  ARG   6          HH11      ARG   6 -30.303   1.271  -9.623
   47   HH12  ARG   6          HH12      ARG   6 -29.879   2.908  -9.977
   48   HH21  ARG   6          HH21      ARG   6 -31.376   2.922 -13.092
   49   HH22  ARG   6          HH22      ARG   6 -30.480   3.836 -11.926
   50    H    ASN   7           H        ASN   7 -27.251  -1.379 -14.133
   51    HA   ASN   7           HA       ASN   7 -25.437  -0.060 -14.704
   52    HB2  ASN   7           HB3      ASN   7 -27.148   0.604 -16.350
   53    HB3  ASN   7           HB2      ASN   7 -27.669   1.902 -15.276
   54   HD21  ASN   7          HD21      ASN   7 -26.061   3.726 -14.911
   55   HD22  ASN   7          HD22      ASN   7 -24.796   3.949 -16.016
   56    H    ARG   8           H        ARG   8 -25.166  -0.046 -12.200
   57    HA   ARG   8           HA       ARG   8 -25.655   1.877 -10.405
   58    HB2  ARG   8           HB3      ARG   8 -23.473   0.051 -10.778
   59    HB3  ARG   8           HB2      ARG   8 -22.762   1.598 -10.371
   60    HG2  ARG   8           HG3      ARG   8 -23.136   0.485  -8.297
   61    HG3  ARG   8           HG2      ARG   8 -24.404   1.703  -8.418
   62    HD2  ARG   8           HD3      ARG   8 -26.051   0.081  -8.998
   63    HD3  ARG   8           HD2      ARG   8 -24.836  -1.142  -9.352
   64    HE   ARG   8           HE       ARG   8 -24.836  -1.678  -7.109
   65   HH11  ARG   8          HH11      ARG   8 -25.454  -1.415  -4.946
   66   HH12  ARG   8          HH12      ARG   8 -26.187   0.067  -4.433
   67   HH21  ARG   8          HH21      ARG   8 -26.053   1.532  -7.571
   68   HH22  ARG   8          HH22      ARG   8 -26.525   1.734  -5.917
   69    H    LEU   9           H        LEU   9 -22.757   2.304 -12.460
   70    HA   LEU   9           HA       LEU   9 -23.459   4.918 -13.309
   71    HB2  LEU   9           HB3      LEU   9 -22.960   5.231 -10.805
   72    HB3  LEU   9           HB2      LEU   9 -21.282   4.893 -11.222
   73    HG   LEU   9           HG       LEU   9 -21.637   6.758 -13.052
   74   HD11  LEU   9          HD11      LEU   9 -24.037   7.076 -12.779
   75   HD12  LEU   9          HD12      LEU   9 -23.213   8.531 -12.228
   76   HD13  LEU   9          HD13      LEU   9 -23.837   7.375 -11.053
   77   HD21  LEU   9          HD21      LEU   9 -20.056   7.113 -11.298
   78   HD22  LEU   9          HD22      LEU   9 -21.323   7.223 -10.077
   79   HD23  LEU   9          HD23      LEU   9 -21.120   8.520 -11.255
   80    H    LEU  10           H        LEU  10 -22.547   2.697 -14.622
   81    HA   LEU  10           HA       LEU  10 -20.762   1.737 -15.799
   82    HB2  LEU  10           HB3      LEU  10 -20.017   3.369 -17.576
   83    HB3  LEU  10           HB2      LEU  10 -21.749   3.094 -17.447
   84    HG   LEU  10           HG       LEU  10 -20.577   5.371 -15.872
   85   HD11  LEU  10          HD11      LEU  10 -20.853   6.864 -17.868
   86   HD12  LEU  10          HD12      LEU  10 -21.048   5.425 -18.867
   87   HD13  LEU  10          HD13      LEU  10 -19.522   5.716 -18.033
   88   HD21  LEU  10          HD21      LEU  10 -22.730   6.266 -16.010
   89   HD22  LEU  10          HD22      LEU  10 -23.089   4.544 -16.027
   90   HD23  LEU  10          HD23      LEU  10 -23.092   5.453 -17.532
   91    H    GLN  11           H        GLN  11 -18.900   1.075 -15.146
   92    HA   GLN  11           HA       GLN  11 -16.642   1.040 -14.724
   93    HB2  GLN  11           HB3      GLN  11 -15.407   2.637 -15.736
   94    HB3  GLN  11           HB2      GLN  11 -16.906   3.453 -16.131
   95    HG2  GLN  11           HG3      GLN  11 -16.737   4.753 -14.019
   96    HG3  GLN  11           HG2      GLN  11 -15.222   3.927 -13.648
   97   HE21  GLN  11          HE21      GLN  11 -15.933   6.864 -14.434
   98   HE22  GLN  11          HE22      GLN  11 -14.812   7.210 -15.660
   99    H    SER  12           H        SER  12 -16.077   0.472 -12.821
  100    HA   SER  12           HA       SER  12 -15.578   0.544 -10.554
  101    HB2  SER  12           HB3      SER  12 -15.267   2.584  -9.500
  102    HB3  SER  12           HB2      SER  12 -15.208   3.109 -11.179
  103    HG   SER  12           HG       SER  12 -16.718   4.406 -10.365
  104    H    ASP  13           H        ASP  13 -16.800   0.308  -8.543
  105    HA   ASP  13           HA       ASP  13 -19.719   0.157  -9.029
  106    HB2  ASP  13           HB3      ASP  13 -19.755  -1.541  -7.258
  107    HB3  ASP  13           HB2      ASP  13 -18.680  -2.000  -8.573
  108    H    TYR  14           H        TYR  14 -21.142   1.089  -7.676
  109    HA   TYR  14           HA       TYR  14 -20.445   3.369  -6.283
  110    HB2  TYR  14           HB3      TYR  14 -22.712   2.740  -7.186
  111    HB3  TYR  14           HB2      TYR  14 -22.884   1.651  -5.811
  112    HD1  TYR  14           HD1      TYR  14 -22.878   5.122  -6.933
  113    HD2  TYR  14           HD2      TYR  14 -23.030   2.536  -3.520
  114    HE1  TYR  14           HE1      TYR  14 -23.659   7.021  -5.533
  115    HE2  TYR  14           HE2      TYR  14 -23.803   4.427  -2.109
  116    HH   TYR  14           HH       TYR  14 -23.623   7.645  -3.097
  117    H    MET  15           H        MET  15 -19.821   0.264  -5.367
  118    HA   MET  15           HA       MET  15 -19.880  -0.784  -3.219
  119    HB2  MET  15           HB3      MET  15 -17.588  -0.378  -4.023
  120    HB3  MET  15           HB2      MET  15 -17.594   1.200  -3.253
  121    HG2  MET  15           HG3      MET  15 -16.418  -0.619  -1.944
  122    HG3  MET  15           HG2      MET  15 -17.670   0.230  -1.054
  123    HE1  MET  15           HE1      MET  15 -19.930  -0.845  -0.252
  124    HE2  MET  15           HE2      MET  15 -18.454  -1.153   0.661
  125    HE3  MET  15           HE3      MET  15 -19.612  -2.457   0.407
  126    H    ASN  16           H        ASN  16 -21.896   0.259  -2.498
  127    HA   ASN  16           HA       ASN  16 -22.718   2.341  -1.240
  128    HB2  ASN  16           HB3      ASN  16 -23.928   0.301  -0.847
  129    HB3  ASN  16           HB2      ASN  16 -22.637  -0.332   0.174
  130   HD21  ASN  16          HD21      ASN  16 -23.754   3.053   0.318
  131   HD22  ASN  16          HD22      ASN  16 -24.426   2.932   1.872
  132    H    MET  17           H        MET  17 -22.253   3.837   0.175
  133    HA   MET  17           HA       MET  17 -21.378   4.764   2.196
  134    HB2  MET  17           HB3      MET  17 -19.083   2.786   2.011
  135    HB3  MET  17           HB2      MET  17 -19.430   3.902   3.313
  136    HG2  MET  17           HG3      MET  17 -20.957   2.511   4.291
  137    HG3  MET  17           HG2      MET  17 -21.670   2.033   2.762
  138    HE1  MET  17           HE1      MET  17 -20.911  -1.501   3.586
  139    HE2  MET  17           HE2      MET  17 -21.985  -0.297   2.876
  140    HE3  MET  17           HE3      MET  17 -21.660  -0.263   4.606
  141    H    THR  18           H        THR  18 -19.545   3.643  -0.532
  142    HA   THR  18           HA       THR  18 -18.803   6.117  -1.513
  143    HB   THR  18           HB       THR  18 -17.131   5.179   0.702
  144    HG1  THR  18           HG1      THR  18 -16.679   7.322   0.779
  145   HG21  THR  18          HG21      THR  18 -14.981   5.961  -0.366
  146   HG22  THR  18          HG22      THR  18 -15.798   5.892  -1.927
  147   HG23  THR  18          HG23      THR  18 -15.576   4.419  -0.983
  148    HA   PRO  19           HA       PRO  19 -18.047   2.990  -4.681
  149    HB2  PRO  19           HB3      PRO  19 -16.271   4.995  -6.013
  150    HB3  PRO  19           HB2      PRO  19 -17.645   4.092  -6.679
  151    HG2  PRO  19           HG3      PRO  19 -17.846   6.683  -6.083
  152    HG3  PRO  19           HG2      PRO  19 -19.197   5.563  -5.831
  153    HD2  PRO  19           HD3      PRO  19 -17.348   6.771  -3.796
  154    HD3  PRO  19           HD2      PRO  19 -19.083   6.377  -3.680
  155    H    ARG  20           H        ARG  20 -16.469   1.430  -5.069
  156    HA   ARG  20           HA       ARG  20 -14.502   0.833  -3.359
  157    HB2  ARG  20           HB3      ARG  20 -13.334  -0.421  -5.098
  158    HB3  ARG  20           HB2      ARG  20 -15.077  -0.626  -5.234
  159    HG2  ARG  20           HG3      ARG  20 -15.160   0.393  -7.303
  160    HG3  ARG  20           HG2      ARG  20 -14.014   1.646  -6.843
  161    HD2  ARG  20           HD3      ARG  20 -12.146   0.202  -7.256
  162    HD3  ARG  20           HD2      ARG  20 -13.192  -1.206  -7.421
  163    HE   ARG  20           HE       ARG  20 -13.565  -0.583  -9.619
  164   HH11  ARG  20          HH11      ARG  20 -13.327   0.773 -11.419
  165   HH12  ARG  20          HH12      ARG  20 -12.755   2.394 -11.209
  166   HH21  ARG  20          HH21      ARG  20 -12.440   2.119  -7.768
  167   HH22  ARG  20          HH22      ARG  20 -12.255   3.155  -9.143
  168    H    ARG  21           H        ARG  21 -12.145   0.921  -3.393
  169    HA   ARG  21           HA       ARG  21 -11.194   3.580  -3.556
  170    HB2  ARG  21           HB3      ARG  21  -8.893   2.298  -3.346
  171    HB3  ARG  21           HB2      ARG  21 -10.022   2.312  -1.992
  172    HG2  ARG  21           HG3      ARG  21 -10.785   0.122  -2.440
  173    HG3  ARG  21           HG2      ARG  21 -10.134   0.133  -4.078
  174    HD2  ARG  21           HD3      ARG  21  -7.943  -0.228  -3.356
  175    HD3  ARG  21           HD2      ARG  21  -8.247   0.440  -1.755
  176    HE   ARG  21           HE       ARG  21  -8.762  -2.294  -2.624
  177   HH11  ARG  21          HH11      ARG  21  -9.386  -3.711  -0.959
  178   HH12  ARG  21          HH12      ARG  21  -9.854  -3.077   0.583
  179   HH21  ARG  21          HH21      ARG  21  -9.357   0.233  -0.336
  180   HH22  ARG  21          HH22      ARG  21  -9.837  -0.840   0.936
  181    HA   PRO  22           HA       PRO  22 -10.196   3.421  -7.932
  182    HB2  PRO  22           HB3      PRO  22  -8.894   5.758  -8.234
  183    HB3  PRO  22           HB2      PRO  22 -10.622   5.719  -7.823
  184    HG2  PRO  22           HG3      PRO  22  -8.268   6.109  -6.013
  185    HG3  PRO  22           HG2      PRO  22  -9.780   7.036  -6.094
  186    HD2  PRO  22           HD3      PRO  22  -9.366   5.043  -4.253
  187    HD3  PRO  22           HD2      PRO  22 -10.976   5.447  -4.896
  188    H    GLY  23           H        GLY  23  -8.715   1.536  -7.234
  189    HA2  GLY  23           HA2      GLY  23  -6.624   0.495  -7.143
  190    HA3  GLY  23           HA1      GLY  23  -6.299   1.536  -8.527
  191    H    LEU  24           H        LEU  24  -4.508   2.694  -8.311
  192    HA   LEU  24           HA       LEU  24  -2.969   4.164  -7.391
  193    HB2  LEU  24           HB3      LEU  24  -5.190   4.800  -6.011
  194    HB3  LEU  24           HB2      LEU  24  -4.256   4.123  -4.689
  195    HG   LEU  24           HG       LEU  24  -3.904   6.526  -4.787
  196   HD11  LEU  24          HD11      LEU  24  -1.445   6.620  -5.033
  197   HD12  LEU  24          HD12      LEU  24  -1.468   5.025  -5.776
  198   HD13  LEU  24          HD13      LEU  24  -1.971   5.221  -4.099
  199   HD21  LEU  24          HD21      LEU  24  -2.540   6.443  -7.452
  200   HD22  LEU  24          HD22      LEU  24  -3.410   7.752  -6.664
  201   HD23  LEU  24          HD23      LEU  24  -4.307   6.449  -7.434
  202    H    THR  25           H        THR  25  -2.623   1.344  -7.416
  203    HA   THR  25           HA       THR  25  -1.038   0.899  -4.929
  204    HB   THR  25           HB       THR  25  -1.197  -1.540  -5.557
  205    HG1  THR  25           HG1      THR  25  -2.851  -0.379  -7.506
  206   HG21  THR  25          HG21      THR  25  -3.577   0.120  -4.756
  207   HG22  THR  25          HG22      THR  25  -2.707  -1.109  -3.837
  208   HG23  THR  25          HG23      THR  25  -3.824  -1.586  -5.111
  209    H    ARG  26           H        ARG  26  -0.995  -0.509  -8.180
  210    HA   ARG  26           HA       ARG  26   1.175  -1.328  -9.033
  211    HB2  ARG  26           HB3      ARG  26   1.534   0.634 -10.764
  212    HB3  ARG  26           HB2      ARG  26   0.074  -0.350 -10.825
  213    HG2  ARG  26           HG3      ARG  26  -0.035   2.050  -9.034
  214    HG3  ARG  26           HG2      ARG  26   0.011   2.371 -10.765
  215    HD2  ARG  26           HD3      ARG  26  -1.966   0.513  -9.410
  216    HD3  ARG  26           HD2      ARG  26  -2.313   2.169  -9.895
  217    HE   ARG  26           HE       ARG  26  -2.045  -0.140 -11.655
  218   HH11  ARG  26          HH11      ARG  26  -2.616   0.249 -13.822
  219   HH12  ARG  26          HH12      ARG  26  -2.833   1.877 -14.374
  220   HH21  ARG  26          HH21      ARG  26  -2.125   3.298 -11.291
  221   HH22  ARG  26          HH22      ARG  26  -2.555   3.603 -12.940
  222    H    LYS  27           H        LYS  27   2.366  -0.999  -6.873
  223    HA   LYS  27           HA       LYS  27   3.868   1.313  -6.370
  224    HB2  LYS  27           HB3      LYS  27   3.491  -0.535  -4.737
  225    HB3  LYS  27           HB2      LYS  27   4.646  -1.517  -5.622
  226    HG2  LYS  27           HG3      LYS  27   5.553   1.219  -4.784
  227    HG3  LYS  27           HG2      LYS  27   5.363   0.019  -3.513
  228    HD2  LYS  27           HD3      LYS  27   6.817  -1.538  -4.948
  229    HD3  LYS  27           HD2      LYS  27   7.189  -0.121  -5.925
  230    HE2  LYS  27           HE3      LYS  27   7.959  -0.724  -3.092
  231    HE3  LYS  27           HE2      LYS  27   8.924  -0.016  -4.386
  232    HZ1  LYS  27           HZ1      LYS  27   8.215   1.544  -2.581
  233    HZ2  LYS  27           HZ2      LYS  27   6.621   1.377  -3.147
  234    HZ3  LYS  27           HZ3      LYS  27   7.820   2.035  -4.155
  235    HA   PRO  28           HA       PRO  28   7.460  -0.940  -8.827
  236    HB2  PRO  28           HB3      PRO  28   5.836  -1.836 -11.173
  237    HB3  PRO  28           HB2      PRO  28   7.207  -2.635 -10.377
  238    HG2  PRO  28           HG3      PRO  28   4.737  -3.531 -10.024
  239    HG3  PRO  28           HG2      PRO  28   5.887  -3.491  -8.675
  240    HD2  PRO  28           HD3      PRO  28   3.626  -1.609  -9.278
  241    HD3  PRO  28           HD2      PRO  28   4.147  -2.276  -7.715
  242    H    TYR  29           H        TYR  29   8.676   0.320 -10.124
  243    HA   TYR  29           HA       TYR  29   7.929   1.753 -12.396
  244    HB2  TYR  29           HB3      TYR  29   6.470   3.132 -11.111
  245    HB3  TYR  29           HB2      TYR  29   7.642   3.290  -9.807
  246    HD1  TYR  29           HD1      TYR  29   7.286   3.986 -13.487
  247    HD2  TYR  29           HD2      TYR  29   8.981   5.209  -9.732
  248    HE1  TYR  29           HE1      TYR  29   8.202   6.025 -14.560
  249    HE2  TYR  29           HE2      TYR  29   9.894   7.246 -10.807
  250    HH   TYR  29           HH       TYR  29   9.615   8.607 -12.702
  251    H    GLN  30           H        GLN  30  10.030   0.365 -12.188
  252    HA   GLN  30           HA       GLN  30  12.341   0.203 -11.895
  253    HB2  GLN  30           HB3      GLN  30  13.526   2.004 -13.185
  254    HB3  GLN  30           HB2      GLN  30  12.230   1.202 -14.066
  255    HG2  GLN  30           HG3      GLN  30  10.742   3.066 -13.724
  256    HG3  GLN  30           HG2      GLN  30  11.853   3.819 -12.583
  257   HE21  GLN  30          HE21      GLN  30  11.908   5.744 -14.024
  258   HE22  GLN  30          HE22      GLN  30  12.851   5.711 -15.434
  259    HA   PRO  31           HA       PRO  31  12.372   3.028  -8.107
  260    HB2  PRO  31           HB3      PRO  31  13.404   0.451  -6.986
  261    HB3  PRO  31           HB2      PRO  31  12.245   1.599  -6.285
  262    HG2  PRO  31           HG3      PRO  31  11.447  -0.730  -7.319
  263    HG3  PRO  31           HG2      PRO  31  10.470   0.742  -7.479
  264    HD2  PRO  31           HD3      PRO  31  12.150  -0.638  -9.541
  265    HD3  PRO  31           HD2      PRO  31  10.633   0.265  -9.737
  266    H    TYR  32           H        TYR  32  14.649   0.559  -9.205
  267    HA   TYR  32           HA       TYR  32  16.962   0.429  -9.102
  268    HB2  TYR  32           HB3      TYR  32  17.937   1.869 -10.615
  269    HB3  TYR  32           HB2      TYR  32  16.243   2.136 -10.997
  270    HD1  TYR  32           HD1      TYR  32  15.126   4.233 -10.372
  271    HD2  TYR  32           HD2      TYR  32  19.260   3.539  -9.442
  272    HE1  TYR  32           HE1      TYR  32  15.432   6.653  -9.928
  273    HE2  TYR  32           HE2      TYR  32  19.567   5.958  -8.992
  274    HH   TYR  32           HH       TYR  32  17.437   8.289  -9.986
  275    H    ALA  33           H        ALA  33  17.609   0.144  -7.078
  276    HA   ALA  33           HA       ALA  33  18.079   2.525  -5.375
  277    HB1  ALA  33           HB1      ALA  33  17.699   1.151  -3.478
  278    HB2  ALA  33           HB2      ALA  33  17.716  -0.318  -4.454
  279    HB3  ALA  33           HB3      ALA  33  16.385   0.829  -4.609
  280    HA   PRO  34           HA       PRO  34  22.289   0.741  -5.935
  281    HB2  PRO  34           HB3      PRO  34  23.704   3.059  -6.013
  282    HB3  PRO  34           HB2      PRO  34  22.837   2.440  -7.434
  283    HG2  PRO  34           HG3      PRO  34  22.074   4.625  -5.553
  284    HG3  PRO  34           HG2      PRO  34  21.834   4.512  -7.307
  285    HD2  PRO  34           HD3      PRO  34  19.874   3.986  -5.396
  286    HD3  PRO  34           HD2      PRO  34  19.825   3.403  -7.076
  287    H    ALA  35           H        ALA  35  23.044  -0.097  -4.061
  288    HA   ALA  35           HA       ALA  35  23.538   1.737  -1.777
  289    HB1  ALA  35           HB1      ALA  35  21.449   0.552  -1.294
  290    HB2  ALA  35           HB2      ALA  35  22.734  -0.008  -0.223
  291    HB3  ALA  35           HB3      ALA  35  22.237  -0.996  -1.597
  292    H    ARG  36           H        ARG  36  24.052  -1.556  -3.019
  293    HA   ARG  36           HA       ARG  36  25.822  -2.966  -2.036
  294    HB2  ARG  36           HB3      ARG  36  27.467  -2.889  -3.909
  295    HB3  ARG  36           HB2      ARG  36  25.792  -2.949  -4.447
  296    HG2  ARG  36           HG3      ARG  36  25.892  -0.401  -4.642
  297    HG3  ARG  36           HG2      ARG  36  27.629  -0.538  -4.399
  298    HD2  ARG  36           HD3      ARG  36  27.263  -0.506  -6.764
  299    HD3  ARG  36           HD2      ARG  36  27.693  -2.155  -6.327
  300    HE   ARG  36           HE       ARG  36  25.498  -2.830  -6.825
  301   HH11  ARG  36          HH11      ARG  36  23.489  -2.463  -7.814
  302   HH12  ARG  36          HH12      ARG  36  22.992  -0.845  -8.181
  303   HH21  ARG  36          HH21      ARG  36  25.869   0.613  -6.918
  304   HH22  ARG  36          HH22      ARG  36  24.339   0.895  -7.677
  305    H    ASP  37           H        ASP  37  27.047  -2.752  -0.278
  306    HA   ASP  37           HA       ASP  37  28.190  -0.543   0.817
  307    HB2  ASP  37           HB3      ASP  37  28.248  -2.712   1.943
  308    HB3  ASP  37           HB2      ASP  37  29.429  -3.305   0.776
  309    H    PHE  38           H        PHE  38  30.608  -2.691  -0.405
  310    HA   PHE  38           HA       PHE  38  31.480  -1.353  -2.639
  311    HB2  PHE  38           HB3      PHE  38  32.166   0.098  -0.194
  312    HB3  PHE  38           HB2      PHE  38  33.627  -0.357  -1.054
  313    HD1  PHE  38           HD1      PHE  38  31.050   2.080  -0.831
  314    HD2  PHE  38           HD2      PHE  38  33.591   0.090  -3.692
  315    HE1  PHE  38           HE1      PHE  38  30.642   3.893  -2.469
  316    HE2  PHE  38           HE2      PHE  38  33.169   1.907  -5.315
  317    HZ   PHE  38           HZ       PHE  38  31.703   3.808  -4.707
  318    H    ALA  39           H        ALA  39  31.201  -3.871  -1.884
  319    HA   ALA  39           HA       ALA  39  32.406  -5.846  -1.169
  320    HB1  ALA  39           HB1      ALA  39  31.732  -6.032  -3.473
  321    HB2  ALA  39           HB2      ALA  39  33.366  -6.675  -3.325
  322    HB3  ALA  39           HB3      ALA  39  33.110  -5.068  -4.004
  323    H    ALA  40           H        ALA  40  33.892  -4.545   0.373
  324    HA   ALA  40           HA       ALA  40  36.018  -4.830   1.312
  325    HB1  ALA  40           HB1      ALA  40  36.454  -6.483  -0.683
  326    HB2  ALA  40           HB2      ALA  40  37.815  -5.778   0.184
  327    HB3  ALA  40           HB3      ALA  40  37.329  -5.119  -1.377
  328    H    TYR  41           H        TYR  41  34.927  -2.578   1.154
  329    HA   TYR  41           HA       TYR  41  35.124  -0.250   0.766
  330    HB2  TYR  41           HB3      TYR  41  36.602  -0.732   2.684
  331    HB3  TYR  41           HB2      TYR  41  37.950  -0.984   1.576
  332    HD1  TYR  41           HD1      TYR  41  35.343   1.554   2.492
  333    HD2  TYR  41           HD2      TYR  41  39.284   0.848   0.933
  334    HE1  TYR  41           HE1      TYR  41  35.777   3.995   2.477
  335    HE2  TYR  41           HE2      TYR  41  39.716   3.288   0.919
  336    HH   TYR  41           HH       TYR  41  38.223   5.417   0.789
  337    H    ARG  42           H        ARG  42  35.759  -1.998  -1.634
  338    HA   ARG  42           HA       ARG  42  37.912  -1.068  -3.115
  339    HB2  ARG  42           HB3      ARG  42  35.149  -1.953  -3.949
  340    HB3  ARG  42           HB2      ARG  42  36.205  -1.234  -5.153
  341    HG2  ARG  42           HG3      ARG  42  37.915  -2.907  -4.763
  342    HG3  ARG  42           HG2      ARG  42  37.011  -3.588  -3.413
  343    HD2  ARG  42           HD3      ARG  42  35.248  -4.336  -4.855
  344    HD3  ARG  42           HD2      ARG  42  35.893  -3.424  -6.217
  345    HE   ARG  42           HE       ARG  42  36.728  -6.027  -5.373
  346   HH11  ARG  42          HH11      ARG  42  38.484  -6.948  -6.475
  347   HH12  ARG  42          HH12      ARG  42  39.519  -5.947  -7.435
  348   HH21  ARG  42          HH21      ARG  42  37.782  -3.028  -6.741
  349   HH22  ARG  42          HH22      ARG  42  39.121  -3.728  -7.588
  350    HA   PRO  43           HA       PRO  43  37.713   3.288  -3.881
  351    HB2  PRO  43           HB3      PRO  43  37.188   2.511  -6.747
  352    HB3  PRO  43           HB2      PRO  43  38.254   3.780  -6.107
  353    HG2  PRO  43           HG3      PRO  43  39.232   1.426  -6.878
  354    HG3  PRO  43           HG2      PRO  43  39.882   2.273  -5.461
  355    HD2  PRO  43           HD3      PRO  43  38.237  -0.199  -5.559
  356    HD3  PRO  43           HD2      PRO  43  39.316   0.386  -4.274
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1 -43.461   4.927  -2.516
    2    H2   GLY   1           H2       GLY   1 -42.998   4.649  -4.127
    3    H3   GLY   1           H3       GLY   1 -41.828   5.045  -2.961
    4    HA2  GLY   1           HA2      GLY   1 -41.631   2.958  -2.245
    5    HA3  GLY   1           HA1      GLY   1 -43.379   2.725  -2.267
    6    H    THR   2           H        THR   2 -43.726   0.945  -3.468
    7    HA   THR   2           HA       THR   2 -43.823  -0.443  -5.297
    8    HB   THR   2           HB       THR   2 -43.915   0.541  -7.409
    9    HG1  THR   2           HG1      THR   2 -42.404   2.777  -6.853
   10   HG21  THR   2          HG21      THR   2 -44.106   3.135  -5.917
   11   HG22  THR   2          HG22      THR   2 -45.229   1.842  -5.493
   12   HG23  THR   2          HG23      THR   2 -45.186   2.469  -7.141
   13    H    ASN   3           H        ASN   3 -42.491  -2.015  -6.096
   14    HA   ASN   3           HA       ASN   3 -39.596  -1.630  -5.699
   15    HB2  ASN   3           HB3      ASN   3 -40.957  -4.215  -6.476
   16    HB3  ASN   3           HB2      ASN   3 -39.426  -3.985  -5.630
   17   HD21  ASN   3          HD21      ASN   3 -39.511  -3.606  -3.295
   18   HD22  ASN   3          HD22      ASN   3 -40.967  -3.708  -2.430
   19    H    SER   4           H        SER   4 -39.309  -3.944  -7.732
   20    HA   SER   4           HA       SER   4 -38.922  -4.192  -9.997
   21    HB2  SER   4           HB3      SER   4 -40.375  -3.202 -11.499
   22    HB3  SER   4           HB2      SER   4 -41.300  -3.010 -10.014
   23    HG   SER   4           HG       SER   4 -39.728  -0.955 -10.081
   24    H    ARG   5           H        ARG   5 -36.900  -3.215  -8.611
   25    HA   ARG   5           HA       ARG   5 -35.833  -0.721  -9.137
   26    HB2  ARG   5           HB3      ARG   5 -34.451  -3.395  -8.826
   27    HB3  ARG   5           HB2      ARG   5 -33.587  -1.864  -8.905
   28    HG2  ARG   5           HG3      ARG   5 -34.829  -1.044  -6.944
   29    HG3  ARG   5           HG2      ARG   5 -35.712  -2.566  -6.857
   30    HD2  ARG   5           HD3      ARG   5 -33.571  -3.776  -6.553
   31    HD3  ARG   5           HD2      ARG   5 -32.711  -2.239  -6.590
   32    HE   ARG   5           HE       ARG   5 -34.184  -3.323  -4.367
   33   HH11  ARG   5          HH11      ARG   5 -34.240  -2.044  -2.490
   34   HH12  ARG   5          HH12      ARG   5 -33.813  -0.367  -2.577
   35   HH21  ARG   5          HH21      ARG   5 -33.162  -0.437  -5.982
   36   HH22  ARG   5          HH22      ARG   5 -33.204   0.542  -4.553
   37    H    ARG   6           H        ARG   6 -33.403  -1.096 -10.490
   38    HA   ARG   6           HA       ARG   6 -33.772  -2.210 -13.092
   39    HB2  ARG   6           HB3      ARG   6 -33.692   0.167 -14.209
   40    HB3  ARG   6           HB2      ARG   6 -35.237  -0.491 -13.678
   41    HG2  ARG   6           HG3      ARG   6 -34.921   1.873 -12.981
   42    HG3  ARG   6           HG2      ARG   6 -35.128   0.800 -11.605
   43    HD2  ARG   6           HD3      ARG   6 -32.387   1.536 -12.645
   44    HD3  ARG   6           HD2      ARG   6 -33.231   2.552 -11.491
   45    HE   ARG   6           HE       ARG   6 -32.602  -0.312 -10.933
   46   HH11  ARG   6          HH11      ARG   6 -31.872  -0.705  -8.857
   47   HH12  ARG   6          HH12      ARG   6 -31.636   0.599  -7.741
   48   HH21  ARG   6          HH21      ARG   6 -32.630   3.060  -9.963
   49   HH22  ARG   6          HH22      ARG   6 -32.063   2.717  -8.367
   50    H    ASN   7           H        ASN   7 -31.805  -1.983 -10.914
   51    HA   ASN   7           HA       ASN   7 -29.490  -2.189 -10.930
   52    HB2  ASN   7           HB3      ASN   7 -28.244  -1.979 -12.843
   53    HB3  ASN   7           HB2      ASN   7 -29.825  -2.049 -13.602
   54   HD21  ASN   7          HD21      ASN   7 -30.136  -0.287 -15.143
   55   HD22  ASN   7          HD22      ASN   7 -29.354   1.213 -15.015
   56    H    ARG   8           H        ARG   8 -28.062  -0.956  -9.808
   57    HA   ARG   8           HA       ARG   8 -28.770   1.256  -8.421
   58    HB2  ARG   8           HB3      ARG   8 -26.123   0.167  -9.242
   59    HB3  ARG   8           HB2      ARG   8 -26.100   1.865  -8.794
   60    HG2  ARG   8           HG3      ARG   8 -25.664   0.372  -6.856
   61    HG3  ARG   8           HG2      ARG   8 -27.095   1.371  -6.635
   62    HD2  ARG   8           HD3      ARG   8 -28.553  -0.435  -6.830
   63    HD3  ARG   8           HD2      ARG   8 -27.434  -1.368  -7.823
   64    HE   ARG   8           HE       ARG   8 -26.681  -2.316  -5.861
   65   HH11  ARG   8          HH11      ARG   8 -26.206  -2.381  -3.644
   66   HH12  ARG   8          HH12      ARG   8 -26.616  -1.036  -2.633
   67   HH21  ARG   8          HH21      ARG   8 -27.980   0.832  -5.211
   68   HH22  ARG   8          HH22      ARG   8 -27.611   0.781  -3.520
   69    H    LEU   9           H        LEU   9 -26.352   1.955 -10.921
   70    HA   LEU   9           HA       LEU   9 -28.081   3.888 -12.227
   71    HB2  LEU   9           HB3      LEU   9 -26.399   4.677 -10.023
   72    HB3  LEU   9           HB2      LEU   9 -25.739   5.415 -11.470
   73    HG   LEU   9           HG       LEU   9 -28.676   5.583 -10.759
   74   HD11  LEU   9          HD11      LEU   9 -26.380   7.420 -10.031
   75   HD12  LEU   9          HD12      LEU   9 -27.515   6.638  -8.932
   76   HD13  LEU   9          HD13      LEU   9 -28.067   7.927 -10.002
   77   HD21  LEU   9          HD21      LEU   9 -28.744   7.303 -12.411
   78   HD22  LEU   9          HD22      LEU   9 -27.785   6.017 -13.139
   79   HD23  LEU   9          HD23      LEU   9 -26.986   7.432 -12.459
   80    H    LEU  10           H        LEU  10 -27.355   1.964 -13.640
   81    HA   LEU  10           HA       LEU  10 -25.745   0.969 -15.091
   82    HB2  LEU  10           HB3      LEU  10 -25.645   2.481 -17.139
   83    HB3  LEU  10           HB2      LEU  10 -27.239   1.980 -16.587
   84    HG   LEU  10           HG       LEU  10 -26.190   4.545 -15.443
   85   HD11  LEU  10          HD11      LEU  10 -25.532   4.872 -17.749
   86   HD12  LEU  10          HD12      LEU  10 -27.006   5.797 -17.466
   87   HD13  LEU  10          HD13      LEU  10 -27.083   4.261 -18.327
   88   HD21  LEU  10          HD21      LEU  10 -28.493   3.487 -15.015
   89   HD22  LEU  10          HD22      LEU  10 -28.888   3.932 -16.672
   90   HD23  LEU  10          HD23      LEU  10 -28.492   5.182 -15.495
   91    H    GLN  11           H        GLN  11 -23.686   0.644 -14.675
   92    HA   GLN  11           HA       GLN  11 -21.403   0.978 -14.746
   93    HB2  GLN  11           HB3      GLN  11 -20.686   2.398 -16.364
   94    HB3  GLN  11           HB2      GLN  11 -22.340   2.946 -16.558
   95    HG2  GLN  11           HG3      GLN  11 -21.916   4.664 -14.764
   96    HG3  GLN  11           HG2      GLN  11 -20.234   4.151 -14.735
   97   HE21  GLN  11          HE21      GLN  11 -21.510   6.787 -15.624
   98   HE22  GLN  11          HE22      GLN  11 -20.916   7.027 -17.196
   99    H    SER  12           H        SER  12 -19.902   1.676 -13.281
  100    HA   SER  12           HA       SER  12 -19.174   2.426 -11.203
  101    HB2  SER  12           HB3      SER  12 -19.542   4.682 -10.698
  102    HB3  SER  12           HB2      SER  12 -19.725   4.641 -12.448
  103    HG   SER  12           HG       SER  12 -21.429   5.768 -11.397
  104    H    ASP  13           H        ASP  13 -19.991   0.756  -9.895
  105    HA   ASP  13           HA       ASP  13 -22.754   0.695  -9.097
  106    HB2  ASP  13           HB3      ASP  13 -21.989  -1.146  -7.602
  107    HB3  ASP  13           HB2      ASP  13 -21.518  -1.383  -9.286
  108    H    TYR  14           H        TYR  14 -23.367   0.680  -6.750
  109    HA   TYR  14           HA       TYR  14 -22.673   3.115  -5.560
  110    HB2  TYR  14           HB3      TYR  14 -24.853   1.978  -5.278
  111    HB3  TYR  14           HB2      TYR  14 -24.054   0.733  -4.322
  112    HD1  TYR  14           HD1      TYR  14 -25.252   4.191  -4.393
  113    HD2  TYR  14           HD2      TYR  14 -23.121   1.250  -2.106
  114    HE1  TYR  14           HE1      TYR  14 -25.461   5.614  -2.372
  115    HE2  TYR  14           HE2      TYR  14 -23.327   2.669  -0.080
  116    HH   TYR  14           HH       TYR  14 -24.406   5.940  -0.240
  117    H    MET  15           H        MET  15 -20.891   0.343  -5.642
  118    HA   MET  15           HA       MET  15 -19.564  -0.675  -3.873
  119    HB2  MET  15           HB3      MET  15 -18.277   0.185  -5.759
  120    HB3  MET  15           HB2      MET  15 -18.225   1.778  -5.017
  121    HG2  MET  15           HG3      MET  15 -16.119   0.505  -4.663
  122    HG3  MET  15           HG2      MET  15 -16.912   0.888  -3.144
  123    HE1  MET  15           HE1      MET  15 -15.896  -0.760  -1.651
  124    HE2  MET  15           HE2      MET  15 -16.731  -2.295  -1.414
  125    HE3  MET  15           HE3      MET  15 -17.652  -0.791  -1.420
  126    H    ASN  16           H        ASN  16 -20.825  -0.215  -1.975
  127    HA   ASN  16           HA       ASN  16 -21.138   1.830  -0.333
  128    HB2  ASN  16           HB3      ASN  16 -21.602  -0.498   0.388
  129    HB3  ASN  16           HB2      ASN  16 -19.879  -0.733   0.693
  130   HD21  ASN  16          HD21      ASN  16 -21.056   2.458   1.370
  131   HD22  ASN  16          HD22      ASN  16 -21.143   2.291   3.058
  132    H    MET  17           H        MET  17 -20.089   3.277   0.858
  133    HA   MET  17           HA       MET  17 -18.328   4.344   1.987
  134    HB2  MET  17           HB3      MET  17 -16.331   2.492   0.664
  135    HB3  MET  17           HB2      MET  17 -16.086   3.551   2.034
  136    HG2  MET  17           HG3      MET  17 -16.654   1.879   3.461
  137    HG3  MET  17           HG2      MET  17 -18.247   1.768   2.722
  138    HE1  MET  17           HE1      MET  17 -18.494  -0.450   3.335
  139    HE2  MET  17           HE2      MET  17 -16.937  -1.079   3.865
  140    HE3  MET  17           HE3      MET  17 -17.798  -1.872   2.550
  141    H    THR  18           H        THR  18 -17.129   3.194  -1.172
  142    HA   THR  18           HA       THR  18 -17.681   5.538  -2.550
  143    HB   THR  18           HB       THR  18 -15.565   5.978  -0.758
  144    HG1  THR  18           HG1      THR  18 -15.935   7.916  -1.445
  145   HG21  THR  18          HG21      THR  18 -13.623   6.448  -2.131
  146   HG22  THR  18          HG22      THR  18 -14.462   5.905  -3.582
  147   HG23  THR  18          HG23      THR  18 -14.046   4.749  -2.317
  148    HA   PRO  19           HA       PRO  19 -16.561   2.972  -6.027
  149    HB2  PRO  19           HB3      PRO  19 -14.947   5.208  -7.175
  150    HB3  PRO  19           HB2      PRO  19 -16.285   4.296  -7.901
  151    HG2  PRO  19           HG3      PRO  19 -16.551   6.828  -6.978
  152    HG3  PRO  19           HG2      PRO  19 -17.879   5.656  -6.991
  153    HD2  PRO  19           HD3      PRO  19 -16.339   6.705  -4.678
  154    HD3  PRO  19           HD2      PRO  19 -17.962   5.988  -4.736
  155    H    ARG  20           H        ARG  20 -14.928   1.589  -6.577
  156    HA   ARG  20           HA       ARG  20 -12.869   0.882  -5.052
  157    HB2  ARG  20           HB3      ARG  20 -11.746  -0.112  -6.945
  158    HB3  ARG  20           HB2      ARG  20 -13.483  -0.230  -7.203
  159    HG2  ARG  20           HG3      ARG  20 -13.382   1.799  -8.662
  160    HG3  ARG  20           HG2      ARG  20 -11.639   1.853  -8.428
  161    HD2  ARG  20           HD3      ARG  20 -11.258   0.082  -9.841
  162    HD3  ARG  20           HD2      ARG  20 -12.730  -0.758  -9.362
  163    HE   ARG  20           HE       ARG  20 -13.674   0.138 -11.256
  164   HH11  ARG  20          HH11      ARG  20 -14.110   1.757 -12.774
  165   HH12  ARG  20          HH12      ARG  20 -13.194   3.227 -12.758
  166   HH21  ARG  20          HH21      ARG  20 -11.215   2.272 -10.077
  167   HH22  ARG  20          HH22      ARG  20 -11.555   3.516 -11.229
  168    H    ARG  21           H        ARG  21 -10.672   1.295  -4.778
  169    HA   ARG  21           HA       ARG  21  -9.973   4.071  -5.006
  170    HB2  ARG  21           HB3      ARG  21  -7.682   3.016  -4.099
  171    HB3  ARG  21           HB2      ARG  21  -9.078   3.247  -3.046
  172    HG2  ARG  21           HG3      ARG  21  -8.078   0.976  -2.830
  173    HG3  ARG  21           HG2      ARG  21  -9.757   0.926  -3.356
  174    HD2  ARG  21           HD3      ARG  21  -9.172   0.346  -5.562
  175    HD3  ARG  21           HD2      ARG  21  -7.522   0.932  -5.380
  176    HE   ARG  21           HE       ARG  21  -8.465  -1.693  -4.762
  177   HH11  ARG  21          HH11      ARG  21  -7.000  -3.120  -3.771
  178   HH12  ARG  21          HH12      ARG  21  -5.572  -2.497  -3.012
  179   HH21  ARG  21          HH21      ARG  21  -6.292   0.809  -3.751
  180   HH22  ARG  21          HH22      ARG  21  -5.173  -0.280  -3.000
  181    HA   PRO  22           HA       PRO  22  -7.734   3.785  -8.821
  182    HB2  PRO  22           HB3      PRO  22  -6.001   5.848  -8.621
  183    HB3  PRO  22           HB2      PRO  22  -7.754   6.122  -8.704
  184    HG2  PRO  22           HG3      PRO  22  -5.980   6.042  -6.297
  185    HG3  PRO  22           HG2      PRO  22  -7.211   7.241  -6.736
  186    HD2  PRO  22           HD3      PRO  22  -7.721   5.222  -4.971
  187    HD3  PRO  22           HD2      PRO  22  -8.971   5.881  -6.050
  188    H    GLY  23           H        GLY  23  -6.367   2.123  -9.204
  189    HA2  GLY  23           HA2      GLY  23  -4.536   0.945  -7.540
  190    HA3  GLY  23           HA1      GLY  23  -4.358   0.937  -9.293
  191    H    LEU  24           H        LEU  24  -3.011   1.939  -6.381
  192    HA   LEU  24           HA       LEU  24  -0.879   3.382  -7.771
  193    HB2  LEU  24           HB3      LEU  24  -2.732   5.022  -6.934
  194    HB3  LEU  24           HB2      LEU  24  -2.102   4.664  -5.328
  195    HG   LEU  24           HG       LEU  24   0.242   5.204  -6.484
  196   HD11  LEU  24          HD11      LEU  24   0.162   6.758  -8.275
  197   HD12  LEU  24          HD12      LEU  24  -1.568   7.031  -8.072
  198   HD13  LEU  24          HD13      LEU  24  -0.990   5.506  -8.736
  199   HD21  LEU  24          HD21      LEU  24  -0.568   6.481  -4.605
  200   HD22  LEU  24          HD22      LEU  24  -1.810   7.250  -5.591
  201   HD23  LEU  24          HD23      LEU  24  -0.111   7.634  -5.857
  202    H    THR  25           H        THR  25  -1.318   0.833  -6.261
  203    HA   THR  25           HA       THR  25   0.465   1.220  -3.930
  204    HB   THR  25           HB       THR  25  -0.112  -1.261  -3.543
  205    HG1  THR  25           HG1      THR  25  -1.815  -0.558  -5.666
  206   HG21  THR  25          HG21      THR  25  -2.538  -0.647  -2.829
  207   HG22  THR  25          HG22      THR  25  -2.128   0.985  -3.349
  208   HG23  THR  25          HG23      THR  25  -1.204   0.207  -2.062
  209    H    ARG  26           H        ARG  26   0.165  -1.127  -6.606
  210    HA   ARG  26           HA       ARG  26   2.490  -2.490  -6.472
  211    HB2  ARG  26           HB3      ARG  26   2.558  -2.338  -9.058
  212    HB3  ARG  26           HB2      ARG  26   1.107  -3.015  -8.321
  213    HG2  ARG  26           HG3      ARG  26  -0.008  -0.821  -8.481
  214    HG3  ARG  26           HG2      ARG  26   1.448  -0.127  -9.194
  215    HD2  ARG  26           HD3      ARG  26  -0.129  -2.426 -10.385
  216    HD3  ARG  26           HD2      ARG  26  -0.259  -0.748 -10.901
  217    HE   ARG  26           HE       ARG  26   1.929  -2.572 -11.473
  218   HH11  ARG  26          HH11      ARG  26   3.494  -1.766 -12.904
  219   HH12  ARG  26          HH12      ARG  26   3.532  -0.075 -13.278
  220   HH21  ARG  26          HH21      ARG  26   0.837   0.706 -11.240
  221   HH22  ARG  26          HH22      ARG  26   2.027   1.325 -12.334
  222    H    LYS  27           H        LYS  27   4.645  -2.141  -6.665
  223    HA   LYS  27           HA       LYS  27   5.967   0.099  -6.166
  224    HB2  LYS  27           HB3      LYS  27   7.011  -2.159  -6.636
  225    HB3  LYS  27           HB2      LYS  27   6.965  -1.731  -8.347
  226    HG2  LYS  27           HG3      LYS  27   8.293   0.308  -7.861
  227    HG3  LYS  27           HG2      LYS  27   8.358  -0.158  -6.164
  228    HD2  LYS  27           HD3      LYS  27  10.385  -1.030  -6.902
  229    HD3  LYS  27           HD2      LYS  27   9.340  -2.429  -7.145
  230    HE2  LYS  27           HE3      LYS  27  10.528  -2.223  -9.187
  231    HE3  LYS  27           HE2      LYS  27   8.963  -1.482  -9.527
  232    HZ1  LYS  27           HZ1      LYS  27   9.840   0.640  -9.382
  233    HZ2  LYS  27           HZ2      LYS  27  11.067  -0.219 -10.181
  234    HZ3  LYS  27           HZ3      LYS  27  11.216   0.135  -8.527
  235    HA   PRO  28           HA       PRO  28   4.901   2.712  -9.665
  236    HB2  PRO  28           HB3      PRO  28   6.191   4.979  -9.010
  237    HB3  PRO  28           HB2      PRO  28   4.809   4.398  -8.057
  238    HG2  PRO  28           HG3      PRO  28   7.736   4.083  -7.510
  239    HG3  PRO  28           HG2      PRO  28   6.442   4.597  -6.410
  240    HD2  PRO  28           HD3      PRO  28   7.380   2.020  -6.479
  241    HD3  PRO  28           HD2      PRO  28   5.701   2.421  -6.048
  242    H    TYR  29           H        TYR  29   6.892   0.805 -10.147
  243    HA   TYR  29           HA       TYR  29   8.734   0.287 -11.445
  244    HB2  TYR  29           HB3      TYR  29   8.732   1.470 -13.637
  245    HB3  TYR  29           HB2      TYR  29   7.145   0.869 -13.161
  246    HD1  TYR  29           HD1      TYR  29   9.272   3.905 -13.393
  247    HD2  TYR  29           HD2      TYR  29   5.329   2.357 -12.680
  248    HE1  TYR  29           HE1      TYR  29   8.351   6.205 -13.496
  249    HE2  TYR  29           HE2      TYR  29   4.407   4.658 -12.783
  250    HH   TYR  29           HH       TYR  29   5.989   7.275 -12.332
  251    H    GLN  30           H        GLN  30  10.762   0.492 -11.263
  252    HA   GLN  30           HA       GLN  30  12.848   1.612 -11.657
  253    HB2  GLN  30           HB3      GLN  30  13.251   3.873 -11.245
  254    HB3  GLN  30           HB2      GLN  30  11.667   3.828 -11.994
  255    HG2  GLN  30           HG3      GLN  30  10.929   3.748  -9.365
  256    HG3  GLN  30           HG2      GLN  30  12.458   4.591  -9.209
  257   HE21  GLN  30          HE21      GLN  30  10.769   6.365  -8.499
  258   HE22  GLN  30          HE22      GLN  30  10.204   7.376  -9.739
  259    HA   PRO  31           HA       PRO  31  12.896  -0.300  -7.452
  260    HB2  PRO  31           HB3      PRO  31  15.501  -1.227  -8.599
  261    HB3  PRO  31           HB2      PRO  31  14.284  -2.142  -7.687
  262    HG2  PRO  31           HG3      PRO  31  14.510  -2.433 -10.313
  263    HG3  PRO  31           HG2      PRO  31  12.916  -2.416  -9.535
  264    HD2  PRO  31           HD3      PRO  31  14.258  -0.260 -11.132
  265    HD3  PRO  31           HD2      PRO  31  12.538  -0.702 -11.055
  266    H    TYR  32           H        TYR  32  15.645   1.205  -9.104
  267    HA   TYR  32           HA       TYR  32  17.444   2.437  -8.249
  268    HB2  TYR  32           HB3      TYR  32  16.259   4.383  -8.451
  269    HB3  TYR  32           HB2      TYR  32  14.848   3.709  -7.648
  270    HD1  TYR  32           HD1      TYR  32  18.286   5.036  -6.967
  271    HD2  TYR  32           HD2      TYR  32  14.344   4.303  -5.417
  272    HE1  TYR  32           HE1      TYR  32  18.866   6.269  -4.894
  273    HE2  TYR  32           HE2      TYR  32  14.928   5.539  -3.348
  274    HH   TYR  32           HH       TYR  32  16.494   7.181  -2.568
  275    H    ALA  33           H        ALA  33  18.781   1.325  -6.917
  276    HA   ALA  33           HA       ALA  33  18.444   1.724  -4.051
  277    HB1  ALA  33           HB1      ALA  33  18.516  -0.586  -3.429
  278    HB2  ALA  33           HB2      ALA  33  18.684  -1.091  -5.111
  279    HB3  ALA  33           HB3      ALA  33  17.173  -0.373  -4.552
  280    HA   PRO  34           HA       PRO  34  22.834   1.861  -5.689
  281    HB2  PRO  34           HB3      PRO  34  22.971   3.771  -3.380
  282    HB3  PRO  34           HB2      PRO  34  23.651   3.929  -5.013
  283    HG2  PRO  34           HG3      PRO  34  21.481   5.295  -4.289
  284    HG3  PRO  34           HG2      PRO  34  21.645   4.628  -5.923
  285    HD2  PRO  34           HD3      PRO  34  19.971   3.637  -3.644
  286    HD3  PRO  34           HD2      PRO  34  19.628   3.610  -5.391
  287    H    ALA  35           H        ALA  35  23.589  -0.079  -5.035
  288    HA   ALA  35           HA       ALA  35  23.523  -0.839  -2.206
  289    HB1  ALA  35           HB1      ALA  35  22.944  -2.606  -3.737
  290    HB2  ALA  35           HB2      ALA  35  24.498  -3.003  -3.010
  291    HB3  ALA  35           HB3      ALA  35  24.435  -2.385  -4.655
  292    H    ARG  36           H        ARG  36  26.131  -1.027  -4.644
  293    HA   ARG  36           HA       ARG  36  28.442  -0.978  -4.295
  294    HB2  ARG  36           HB3      ARG  36  27.911   1.329  -4.766
  295    HB3  ARG  36           HB2      ARG  36  27.443   1.611  -3.092
  296    HG2  ARG  36           HG3      ARG  36  29.724   2.467  -3.606
  297    HG3  ARG  36           HG2      ARG  36  29.744   1.238  -2.346
  298    HD2  ARG  36           HD3      ARG  36  31.470   1.078  -4.309
  299    HD3  ARG  36           HD2      ARG  36  30.657  -0.387  -3.764
  300    HE   ARG  36           HE       ARG  36  29.598  -0.487  -5.822
  301   HH11  ARG  36          HH11      ARG  36  29.143   0.265  -7.915
  302   HH12  ARG  36          HH12      ARG  36  29.533   1.895  -8.346
  303   HH21  ARG  36          HH21      ARG  36  30.842   2.686  -5.232
  304   HH22  ARG  36          HH22      ARG  36  30.496   3.269  -6.826
  305    H    ASP  37           H        ASP  37  29.047  -2.594  -2.915
  306    HA   ASP  37           HA       ASP  37  28.556  -2.733  -0.163
  307    HB2  ASP  37           HB3      ASP  37  30.372  -4.359  -0.075
  308    HB3  ASP  37           HB2      ASP  37  29.383  -4.636  -1.508
  309    H    PHE  38           H        PHE  38  30.259  -2.613   1.571
  310    HA   PHE  38           HA       PHE  38  32.389  -0.672   1.162
  311    HB2  PHE  38           HB3      PHE  38  30.093   0.520   1.649
  312    HB3  PHE  38           HB2      PHE  38  30.371  -0.009   3.304
  313    HD1  PHE  38           HD1      PHE  38  31.482   2.226   0.607
  314    HD2  PHE  38           HD2      PHE  38  32.300   0.851   4.601
  315    HE1  PHE  38           HE1      PHE  38  33.028   4.130   0.952
  316    HE2  PHE  38           HE2      PHE  38  33.848   2.753   4.935
  317    HZ   PHE  38           HZ       PHE  38  34.212   4.394   3.113
  318    H    ALA  39           H        ALA  39  31.302  -3.436   2.506
  319    HA   ALA  39           HA       ALA  39  32.220  -3.335   5.174
  320    HB1  ALA  39           HB1      ALA  39  30.864  -5.205   4.659
  321    HB2  ALA  39           HB2      ALA  39  32.467  -5.867   4.962
  322    HB3  ALA  39           HB3      ALA  39  31.888  -5.697   3.307
  323    H    ALA  40           H        ALA  40  33.993  -3.808   2.174
  324    HA   ALA  40           HA       ALA  40  36.471  -4.291   3.730
  325    HB1  ALA  40           HB1      ALA  40  36.139  -5.922   1.958
  326    HB2  ALA  40           HB2      ALA  40  37.485  -4.867   1.530
  327    HB3  ALA  40           HB3      ALA  40  35.914  -4.639   0.768
  328    H    TYR  41           H        TYR  41  34.916  -2.160   1.443
  329    HA   TYR  41           HA       TYR  41  35.663  -0.134   0.462
  330    HB2  TYR  41           HB3      TYR  41  34.669   0.541   2.574
  331    HB3  TYR  41           HB2      TYR  41  36.181   0.215   3.421
  332    HD1  TYR  41           HD1      TYR  41  34.930   2.175   0.465
  333    HD2  TYR  41           HD2      TYR  41  37.621   2.016   3.812
  334    HE1  TYR  41           HE1      TYR  41  35.701   4.476  -0.045
  335    HE2  TYR  41           HE2      TYR  41  38.392   4.315   3.299
  336    HH   TYR  41           HH       TYR  41  38.073   6.126   2.037
  337    H    ARG  42           H        ARG  42  37.529  -1.549  -0.403
  338    HA   ARG  42           HA       ARG  42  40.056  -1.798   0.396
  339    HB2  ARG  42           HB3      ARG  42  40.870  -1.562  -1.836
  340    HB3  ARG  42           HB2      ARG  42  39.235  -2.203  -1.971
  341    HG2  ARG  42           HG3      ARG  42  38.560   0.356  -2.137
  342    HG3  ARG  42           HG2      ARG  42  40.252   0.571  -2.580
  343    HD2  ARG  42           HD3      ARG  42  38.092  -0.920  -4.037
  344    HD3  ARG  42           HD2      ARG  42  39.277   0.219  -4.668
  345    HE   ARG  42           HE       ARG  42  39.608  -2.605  -4.456
  346   HH11  ARG  42          HH11      ARG  42  41.658  -3.460  -4.931
  347   HH12  ARG  42          HH12      ARG  42  43.044  -2.421  -4.939
  348   HH21  ARG  42          HH21      ARG  42  41.243   0.428  -4.120
  349   HH22  ARG  42          HH22      ARG  42  42.807  -0.218  -4.479
  350    HA   PRO  43           HA       PRO  43  41.700   2.059   2.029
  351    HB2  PRO  43           HB3      PRO  43  44.047   1.276   0.309
  352    HB3  PRO  43           HB2      PRO  43  44.038   1.929   1.962
  353    HG2  PRO  43           HG3      PRO  43  44.366  -0.670   1.532
  354    HG3  PRO  43           HG2      PRO  43  43.398  -0.088   2.898
  355    HD2  PRO  43           HD3      PRO  43  42.485  -1.404   0.389
  356    HD3  PRO  43           HD2      PRO  43  41.691  -1.325   1.978
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1 -36.938  -0.274   7.493
    2    H2   GLY   1           H2       GLY   1 -37.891  -0.680   6.146
    3    H3   GLY   1           H3       GLY   1 -36.369   0.039   5.927
    4    HA2  GLY   1           HA2      GLY   1 -35.215  -1.868   6.546
    5    HA3  GLY   1           HA1      GLY   1 -36.651  -2.562   7.298
    6    H    THR   2           H        THR   2 -37.267  -4.292   6.147
    7    HA   THR   2           HA       THR   2 -37.975  -5.591   4.386
    8    HB   THR   2           HB       THR   2 -39.174  -4.549   2.678
    9    HG1  THR   2           HG1      THR   2 -37.856  -2.111   2.823
   10   HG21  THR   2          HG21      THR   2 -39.060  -2.094   4.389
   11   HG22  THR   2          HG22      THR   2 -39.617  -3.591   5.137
   12   HG23  THR   2          HG23      THR   2 -40.464  -2.936   3.737
   13    H    ASN   3           H        ASN   3 -36.981  -6.807   2.792
   14    HA   ASN   3           HA       ASN   3 -34.255  -6.007   2.082
   15    HB2  ASN   3           HB3      ASN   3 -35.677  -8.535   1.211
   16    HB3  ASN   3           HB2      ASN   3 -33.944  -8.255   1.388
   17   HD21  ASN   3          HD21      ASN   3 -33.013  -8.447   3.548
   18   HD22  ASN   3          HD22      ASN   3 -33.937  -8.963   4.875
   19    H    SER   4           H        SER   4 -34.620  -7.671  -0.482
   20    HA   SER   4           HA       SER   4 -34.962  -7.210  -2.719
   21    HB2  SER   4           HB3      SER   4 -37.083  -6.416  -3.341
   22    HB3  SER   4           HB2      SER   4 -37.371  -7.159  -1.771
   23    HG   SER   4           HG       SER   4 -36.600  -4.629  -1.415
   24    H    ARG   5           H        ARG   5 -32.895  -6.006  -2.281
   25    HA   ARG   5           HA       ARG   5 -32.692  -3.275  -1.867
   26    HB2  ARG   5           HB3      ARG   5 -31.021  -5.065  -3.644
   27    HB3  ARG   5           HB2      ARG   5 -30.589  -3.403  -3.246
   28    HG2  ARG   5           HG3      ARG   5 -30.602  -3.970  -0.841
   29    HG3  ARG   5           HG2      ARG   5 -31.026  -5.635  -1.231
   30    HD2  ARG   5           HD3      ARG   5 -28.930  -5.766  -2.619
   31    HD3  ARG   5           HD2      ARG   5 -28.489  -4.175  -2.005
   32    HE   ARG   5           HE       ARG   5 -28.315  -6.675  -0.581
   33   HH11  ARG   5          HH11      ARG   5 -27.482  -6.564   1.524
   34   HH12  ARG   5          HH12      ARG   5 -27.403  -5.039   2.342
   35   HH21  ARG   5          HH21      ARG   5 -28.762  -3.252  -0.299
   36   HH22  ARG   5          HH22      ARG   5 -28.128  -3.167   1.310
   37    H    ARG   6           H        ARG   6 -33.204  -4.952  -5.002
   38    HA   ARG   6           HA       ARG   6 -33.856  -4.146  -7.052
   39    HB2  ARG   6           HB3      ARG   6 -35.962  -3.929  -5.923
   40    HB3  ARG   6           HB2      ARG   6 -35.453  -2.441  -5.129
   41    HG2  ARG   6           HG3      ARG   6 -35.455  -1.235  -7.215
   42    HG3  ARG   6           HG2      ARG   6 -35.691  -2.719  -8.138
   43    HD2  ARG   6           HD3      ARG   6 -37.720  -1.002  -7.160
   44    HD3  ARG   6           HD2      ARG   6 -37.947  -2.584  -7.890
   45    HE   ARG   6           HE       ARG   6 -38.263  -3.493  -5.752
   46   HH11  ARG   6          HH11      ARG   6 -38.745  -3.236  -3.546
   47   HH12  ARG   6          HH12      ARG   6 -38.424  -1.724  -2.763
   48   HH21  ARG   6          HH21      ARG   6 -37.162  -0.212  -5.620
   49   HH22  ARG   6          HH22      ARG   6 -37.529  -0.011  -3.939
   50    H    ASN   7           H        ASN   7 -32.170  -3.234  -8.133
   51    HA   ASN   7           HA       ASN   7 -30.795  -1.605  -9.006
   52    HB2  ASN   7           HB3      ASN   7 -32.899  -0.485  -9.546
   53    HB3  ASN   7           HB2      ASN   7 -32.948   0.236  -7.937
   54   HD21  ASN   7          HD21      ASN   7 -32.946   2.287  -9.567
   55   HD22  ASN   7          HD22      ASN   7 -31.404   2.907  -9.896
   56    H    ARG   8           H        ARG   8 -29.075  -1.994  -7.662
   57    HA   ARG   8           HA       ARG   8 -28.818  -1.061  -5.007
   58    HB2  ARG   8           HB3      ARG   8 -27.356  -2.805  -6.279
   59    HB3  ARG   8           HB2      ARG   8 -26.445  -1.407  -6.842
   60    HG2  ARG   8           HG3      ARG   8 -25.360  -2.198  -4.849
   61    HG3  ARG   8           HG2      ARG   8 -26.193  -0.704  -4.428
   62    HD2  ARG   8           HD3      ARG   8 -27.659  -1.780  -3.017
   63    HD3  ARG   8           HD2      ARG   8 -27.811  -3.184  -4.065
   64    HE   ARG   8           HE       ARG   8 -26.093  -4.199  -2.876
   65   HH11  ARG   8          HH11      ARG   8 -24.588  -4.272  -1.169
   66   HH12  ARG   8          HH12      ARG   8 -24.141  -2.811  -0.354
   67   HH21  ARG   8          HH21      ARG   8 -26.207  -0.792  -2.267
   68   HH22  ARG   8          HH22      ARG   8 -25.056  -0.844  -0.975
   69    H    LEU   9           H        LEU   9 -27.697   0.358  -8.091
   70    HA   LEU   9           HA       LEU   9 -28.171   3.007  -7.360
   71    HB2  LEU   9           HB3      LEU   9 -25.948   2.098  -5.942
   72    HB3  LEU   9           HB2      LEU   9 -25.207   2.870  -7.331
   73    HG   LEU   9           HG       LEU   9 -27.294   4.191  -5.562
   74   HD11  LEU   9          HD11      LEU   9 -25.337   3.897  -4.224
   75   HD12  LEU   9          HD12      LEU   9 -25.269   5.553  -4.826
   76   HD13  LEU   9          HD13      LEU   9 -24.272   4.302  -5.569
   77   HD21  LEU   9          HD21      LEU   9 -26.620   6.232  -6.733
   78   HD22  LEU   9          HD22      LEU   9 -27.130   5.026  -7.916
   79   HD23  LEU   9          HD23      LEU   9 -25.414   5.335  -7.656
   80    H    LEU  10           H        LEU  10 -28.241   1.147  -9.616
   81    HA   LEU  10           HA       LEU  10 -27.492   0.894 -11.825
   82    HB2  LEU  10           HB3      LEU  10 -28.096   2.951 -13.134
   83    HB3  LEU  10           HB2      LEU  10 -29.368   2.287 -12.112
   84    HG   LEU  10           HG       LEU  10 -27.619   4.418 -10.915
   85   HD11  LEU  10          HD11      LEU  10 -28.064   5.415 -13.072
   86   HD12  LEU  10          HD12      LEU  10 -29.126   6.170 -11.883
   87   HD13  LEU  10          HD13      LEU  10 -29.763   4.945 -12.979
   88   HD21  LEU  10          HD21      LEU  10 -29.602   3.159  -9.805
   89   HD22  LEU  10          HD22      LEU  10 -30.622   4.176 -10.819
   90   HD23  LEU  10          HD23      LEU  10 -29.542   4.912  -9.635
   91    H    GLN  11           H        GLN  11 -25.540   0.554 -12.511
   92    HA   GLN  11           HA       GLN  11 -23.435   0.958 -13.352
   93    HB2  GLN  11           HB3      GLN  11 -23.395   2.822 -14.642
   94    HB3  GLN  11           HB2      GLN  11 -24.869   3.362 -13.860
   95    HG2  GLN  11           HG3      GLN  11 -23.498   4.469 -12.095
   96    HG3  GLN  11           HG2      GLN  11 -22.035   3.970 -12.947
   97   HE21  GLN  11          HE21      GLN  11 -23.221   6.737 -12.447
   98   HE22  GLN  11          HE22      GLN  11 -23.307   7.439 -13.991
   99    H    SER  12           H        SER  12 -21.535   0.872 -12.435
  100    HA   SER  12           HA       SER  12 -19.985   0.765 -10.698
  101    HB2  SER  12           HB3      SER  12 -19.427   2.960  -9.746
  102    HB3  SER  12           HB2      SER  12 -19.677   3.084 -11.485
  103    HG   SER  12           HG       SER  12 -20.800   4.725 -10.383
  104    H    ASP  13           H        ASP  13 -23.077   0.531 -10.096
  105    HA   ASP  13           HA       ASP  13 -24.476   0.650  -8.201
  106    HB2  ASP  13           HB3      ASP  13 -24.038  -1.300  -6.856
  107    HB3  ASP  13           HB2      ASP  13 -23.610  -1.665  -8.524
  108    H    TYR  14           H        TYR  14 -23.285  -0.249  -5.540
  109    HA   TYR  14           HA       TYR  14 -22.786   2.446  -4.566
  110    HB2  TYR  14           HB3      TYR  14 -24.352   1.227  -3.265
  111    HB3  TYR  14           HB2      TYR  14 -23.349  -0.220  -3.275
  112    HD1  TYR  14           HD1      TYR  14 -23.825   3.130  -1.771
  113    HD2  TYR  14           HD2      TYR  14 -21.460  -0.452  -1.818
  114    HE1  TYR  14           HE1      TYR  14 -22.738   3.823   0.344
  115    HE2  TYR  14           HE2      TYR  14 -20.364   0.234   0.296
  116    HH   TYR  14           HH       TYR  14 -20.806   3.421   1.635
  117    H    MET  15           H        MET  15 -20.819   0.472  -6.059
  118    HA   MET  15           HA       MET  15 -18.677  -0.488  -5.129
  119    HB2  MET  15           HB3      MET  15 -18.492   0.371  -7.320
  120    HB3  MET  15           HB2      MET  15 -18.659   2.031  -6.772
  121    HG2  MET  15           HG3      MET  15 -16.265   1.099  -7.384
  122    HG3  MET  15           HG2      MET  15 -16.463   2.150  -5.989
  123    HE1  MET  15           HE1      MET  15 -15.601  -2.164  -6.500
  124    HE2  MET  15           HE2      MET  15 -16.903  -1.261  -7.256
  125    HE3  MET  15           HE3      MET  15 -17.215  -2.158  -5.771
  126    H    ASN  16           H        ASN  16 -18.616  -0.354  -2.927
  127    HA   ASN  16           HA       ASN  16 -18.381   1.787  -1.240
  128    HB2  ASN  16           HB3      ASN  16 -18.320  -0.590  -0.477
  129    HB3  ASN  16           HB2      ASN  16 -16.638  -0.680  -0.999
  130   HD21  ASN  16          HD21      ASN  16 -18.231   2.118   0.574
  131   HD22  ASN  16          HD22      ASN  16 -17.255   2.083   1.964
  132    H    MET  17           H        MET  17 -16.565   2.787  -0.174
  133    HA   MET  17           HA       MET  17 -14.556   3.939  -0.091
  134    HB2  MET  17           HB3      MET  17 -13.636   2.396  -2.538
  135    HB3  MET  17           HB2      MET  17 -12.650   3.317  -1.423
  136    HG2  MET  17           HG3      MET  17 -12.265   1.232  -0.530
  137    HG3  MET  17           HG2      MET  17 -13.756   1.568   0.340
  138    HE1  MET  17           HE1      MET  17 -14.107  -1.014   0.730
  139    HE2  MET  17           HE2      MET  17 -12.553  -1.214  -0.071
  140    HE3  MET  17           HE3      MET  17 -13.918  -2.216  -0.551
  141    H    THR  18           H        THR  18 -15.152   3.393  -3.556
  142    HA   THR  18           HA       THR  18 -16.330   5.780  -4.192
  143    HB   THR  18           HB       THR  18 -13.472   6.071  -3.570
  144    HG1  THR  18           HG1      THR  18 -14.279   8.328  -3.683
  145   HG21  THR  18          HG21      THR  18 -13.084   7.758  -5.394
  146   HG22  THR  18          HG22      THR  18 -14.514   7.130  -6.209
  147   HG23  THR  18          HG23      THR  18 -13.117   6.086  -5.950
  148    HA   PRO  19           HA       PRO  19 -16.358   3.371  -8.005
  149    HB2  PRO  19           HB3      PRO  19 -16.404   5.999  -9.445
  150    HB3  PRO  19           HB2      PRO  19 -17.478   4.598  -9.627
  151    HG2  PRO  19           HG3      PRO  19 -18.261   6.809  -8.345
  152    HG3  PRO  19           HG2      PRO  19 -18.783   5.194  -7.832
  153    HD2  PRO  19           HD3      PRO  19 -16.803   7.025  -6.547
  154    HD3  PRO  19           HD2      PRO  19 -17.866   5.802  -5.817
  155    H    ARG  20           H        ARG  20 -14.770   2.590  -9.322
  156    HA   ARG  20           HA       ARG  20 -12.542   2.193  -9.791
  157    HB2  ARG  20           HB3      ARG  20 -13.532   3.220 -11.802
  158    HB3  ARG  20           HB2      ARG  20 -13.003   4.804 -11.235
  159    HG2  ARG  20           HG3      ARG  20 -10.770   4.391 -11.689
  160    HG3  ARG  20           HG2      ARG  20 -10.902   2.668 -11.338
  161    HD2  ARG  20           HD3      ARG  20 -12.069   2.292 -13.424
  162    HD3  ARG  20           HD2      ARG  20 -12.045   4.013 -13.790
  163    HE   ARG  20           HE       ARG  20  -9.829   2.149 -14.049
  164   HH11  ARG  20          HH11      ARG  20  -7.975   3.011 -15.038
  165   HH12  ARG  20          HH12      ARG  20  -7.815   4.726 -15.218
  166   HH21  ARG  20          HH21      ARG  20 -10.853   5.432 -13.699
  167   HH22  ARG  20          HH22      ARG  20  -9.446   6.100 -14.457
  168    H    ARG  21           H        ARG  21 -11.224   2.293  -8.091
  169    HA   ARG  21           HA       ARG  21 -10.327   4.893  -7.079
  170    HB2  ARG  21           HB3      ARG  21  -9.041   3.227  -5.446
  171    HB3  ARG  21           HB2      ARG  21 -10.748   3.587  -5.220
  172    HG2  ARG  21           HG3      ARG  21 -10.348   1.168  -5.079
  173    HG3  ARG  21           HG2      ARG  21 -11.355   1.543  -6.473
  174    HD2  ARG  21           HD3      ARG  21  -9.651   1.068  -7.992
  175    HD3  ARG  21           HD2      ARG  21  -8.370   1.409  -6.829
  176    HE   ARG  21           HE       ARG  21  -9.588  -1.125  -7.297
  177   HH11  ARG  21          HH11      ARG  21  -9.036  -2.826  -5.909
  178   HH12  ARG  21          HH12      ARG  21  -8.315  -2.488  -4.370
  179   HH21  ARG  21          HH21      ARG  21  -8.345   0.953  -4.821
  180   HH22  ARG  21          HH22      ARG  21  -7.924  -0.346  -3.754
  181    HA   PRO  22           HA       PRO  22  -6.471   4.584  -9.250
  182    HB2  PRO  22           HB3      PRO  22  -4.856   6.164  -7.767
  183    HB3  PRO  22           HB2      PRO  22  -6.242   6.834  -8.654
  184    HG2  PRO  22           HG3      PRO  22  -6.036   6.101  -5.762
  185    HG3  PRO  22           HG2      PRO  22  -6.709   7.569  -6.498
  186    HD2  PRO  22           HD3      PRO  22  -8.282   5.480  -5.677
  187    HD3  PRO  22           HD2      PRO  22  -8.718   6.537  -7.040
  188    H    GLY  23           H        GLY  23  -5.176   2.834  -9.290
  189    HA2  GLY  23           HA2      GLY  23  -4.658   1.181  -7.045
  190    HA3  GLY  23           HA1      GLY  23  -3.829   1.074  -8.598
  191    H    LEU  24           H        LEU  24  -2.758   0.849  -5.853
  192    HA   LEU  24           HA       LEU  24  -0.632   2.893  -6.085
  193    HB2  LEU  24           HB3      LEU  24  -2.201   2.182  -3.591
  194    HB3  LEU  24           HB2      LEU  24  -0.612   2.936  -3.518
  195    HG   LEU  24           HG       LEU  24  -2.724   4.185  -5.272
  196   HD11  LEU  24          HD11      LEU  24  -3.486   5.544  -3.343
  197   HD12  LEU  24          HD12      LEU  24  -2.505   4.548  -2.266
  198   HD13  LEU  24          HD13      LEU  24  -3.870   3.836  -3.127
  199   HD21  LEU  24          HD21      LEU  24  -0.247   4.940  -5.077
  200   HD22  LEU  24          HD22      LEU  24  -0.684   5.523  -3.477
  201   HD23  LEU  24          HD23      LEU  24  -1.484   6.181  -4.903
  202    H    THR  25           H        THR  25  -0.951   0.004  -6.760
  203    HA   THR  25           HA       THR  25   0.994  -1.261  -4.930
  204    HB   THR  25           HB       THR  25   0.473  -3.300  -6.438
  205    HG1  THR  25           HG1      THR  25  -0.886  -1.366  -7.660
  206   HG21  THR  25          HG21      THR  25  -1.895  -3.526  -5.371
  207   HG22  THR  25          HG22      THR  25  -1.519  -2.005  -4.564
  208   HG23  THR  25          HG23      THR  25  -0.502  -3.425  -4.298
  209    H    ARG  26           H        ARG  26   0.530  -1.061  -8.458
  210    HA   ARG  26           HA       ARG  26   3.022  -1.899  -9.279
  211    HB2  ARG  26           HB3      ARG  26   1.325  -1.412 -10.943
  212    HB3  ARG  26           HB2      ARG  26   1.325   0.299 -10.514
  213    HG2  ARG  26           HG3      ARG  26   4.001  -0.784 -11.268
  214    HG3  ARG  26           HG2      ARG  26   2.815  -0.787 -12.569
  215    HD2  ARG  26           HD3      ARG  26   3.368   1.656 -10.869
  216    HD3  ARG  26           HD2      ARG  26   4.212   1.324 -12.377
  217    HE   ARG  26           HE       ARG  26   1.640   1.156 -13.153
  218   HH11  ARG  26          HH11      ARG  26   0.373   2.924 -13.807
  219   HH12  ARG  26          HH12      ARG  26   0.694   4.498 -13.160
  220   HH21  ARG  26          HH21      ARG  26   3.332   3.433 -11.175
  221   HH22  ARG  26          HH22      ARG  26   2.368   4.786 -11.666
  222    H    LYS  27           H        LYS  27   5.024  -1.134  -9.294
  223    HA   LYS  27           HA       LYS  27   5.724   1.123  -7.675
  224    HB2  LYS  27           HB3      LYS  27   7.042  -0.970  -7.753
  225    HB3  LYS  27           HB2      LYS  27   7.466  -0.605  -9.422
  226    HG2  LYS  27           HG3      LYS  27   7.993   1.619  -7.513
  227    HG3  LYS  27           HG2      LYS  27   8.959   0.179  -7.225
  228    HD2  LYS  27           HD3      LYS  27   8.724   1.531  -9.934
  229    HD3  LYS  27           HD2      LYS  27  10.027   1.841  -8.793
  230    HE2  LYS  27           HE3      LYS  27  10.208  -0.849  -8.872
  231    HE3  LYS  27           HE2      LYS  27   9.516  -0.581 -10.472
  232    HZ1  LYS  27           HZ1      LYS  27  11.555  -0.094 -11.120
  233    HZ2  LYS  27           HZ2      LYS  27  12.145  -0.046  -9.527
  234    HZ3  LYS  27           HZ3      LYS  27  11.440   1.337 -10.218
  235    HA   PRO  28           HA       PRO  28   5.382   3.788 -11.424
  236    HB2  PRO  28           HB3      PRO  28   6.349   5.925  -9.579
  237    HB3  PRO  28           HB2      PRO  28   4.912   5.895 -10.617
  238    HG2  PRO  28           HG3      PRO  28   4.709   5.630  -7.979
  239    HG3  PRO  28           HG2      PRO  28   3.667   4.707  -9.078
  240    HD2  PRO  28           HD3      PRO  28   6.100   3.782  -7.566
  241    HD3  PRO  28           HD2      PRO  28   4.545   2.964  -7.839
  242    H    TYR  29           H        TYR  29   7.481   2.277 -11.696
  243    HA   TYR  29           HA       TYR  29   9.685   2.045 -12.350
  244    HB2  TYR  29           HB3      TYR  29  10.382   3.683 -14.011
  245    HB3  TYR  29           HB2      TYR  29   8.679   3.277 -14.222
  246    HD1  TYR  29           HD1      TYR  29  11.036   5.849 -12.958
  247    HD2  TYR  29           HD2      TYR  29   6.945   4.899 -13.859
  248    HE1  TYR  29           HE1      TYR  29  10.420   8.237 -12.688
  249    HE2  TYR  29           HE2      TYR  29   6.331   7.286 -13.590
  250    HH   TYR  29           HH       TYR  29   8.142   9.476 -12.041
  251    H    GLN  30           H        GLN  30  11.562   2.103 -11.512
  252    HA   GLN  30           HA       GLN  30  13.581   3.247 -10.870
  253    HB2  GLN  30           HB3      GLN  30  13.664   5.160  -9.515
  254    HB3  GLN  30           HB2      GLN  30  12.430   5.487 -10.715
  255    HG2  GLN  30           HG3      GLN  30  10.865   4.449  -8.739
  256    HG3  GLN  30           HG2      GLN  30  12.169   5.099  -7.757
  257   HE21  GLN  30          HE21      GLN  30  11.015   6.883  -6.883
  258   HE22  GLN  30          HE22      GLN  30  10.452   8.170  -7.835
  259    HA   PRO  31           HA       PRO  31  12.598  -0.030  -7.775
  260    HB2  PRO  31           HB3      PRO  31  15.475  -0.630  -8.323
  261    HB3  PRO  31           HB2      PRO  31  14.086  -1.734  -8.261
  262    HG2  PRO  31           HG3      PRO  31  15.179  -1.034 -10.586
  263    HG3  PRO  31           HG2      PRO  31  13.423  -1.234 -10.421
  264    HD2  PRO  31           HD3      PRO  31  15.026   1.300 -10.565
  265    HD3  PRO  31           HD2      PRO  31  13.423   0.939 -11.245
  266    H    TYR  32           H        TYR  32  15.862   1.395  -7.840
  267    HA   TYR  32           HA       TYR  32  17.229   2.030  -6.045
  268    HB2  TYR  32           HB3      TYR  32  16.451   4.177  -6.364
  269    HB3  TYR  32           HB2      TYR  32  14.768   3.712  -6.156
  270    HD1  TYR  32           HD1      TYR  32  17.965   4.085  -4.216
  271    HD2  TYR  32           HD2      TYR  32  13.671   4.208  -4.148
  272    HE1  TYR  32           HE1      TYR  32  18.020   4.898  -1.871
  273    HE2  TYR  32           HE2      TYR  32  13.726   5.020  -1.812
  274    HH   TYR  32           HH       TYR  32  15.159   6.059  -0.266
  275    H    ALA  33           H        ALA  33  17.527   0.247  -4.724
  276    HA   ALA  33           HA       ALA  33  16.032   0.289  -2.199
  277    HB1  ALA  33           HB1      ALA  33  16.395  -2.315  -3.674
  278    HB2  ALA  33           HB2      ALA  33  14.913  -1.363  -3.782
  279    HB3  ALA  33           HB3      ALA  33  15.440  -2.004  -2.225
  280    HA   PRO  34           HA       PRO  34  20.675  -0.270  -1.845
  281    HB2  PRO  34           HB3      PRO  34  20.022   1.220   0.675
  282    HB3  PRO  34           HB2      PRO  34  21.371   1.458  -0.455
  283    HG2  PRO  34           HG3      PRO  34  19.308   3.139  -0.408
  284    HG3  PRO  34           HG2      PRO  34  20.087   2.683  -1.935
  285    HD2  PRO  34           HD3      PRO  34  17.462   1.764  -0.811
  286    HD3  PRO  34           HD2      PRO  34  17.924   2.059  -2.505
  287    H    ALA  35           H        ALA  35  20.748  -2.423  -1.407
  288    HA   ALA  35           HA       ALA  35  19.710  -3.368   1.220
  289    HB1  ALA  35           HB1      ALA  35  18.771  -4.408  -0.938
  290    HB2  ALA  35           HB2      ALA  35  19.372  -5.512   0.296
  291    HB3  ALA  35           HB3      ALA  35  20.355  -5.165  -1.122
  292    H    ARG  36           H        ARG  36  22.276  -4.087  -1.142
  293    HA   ARG  36           HA       ARG  36  24.315  -5.188  -0.777
  294    HB2  ARG  36           HB3      ARG  36  25.916  -3.611   0.215
  295    HB3  ARG  36           HB2      ARG  36  24.831  -2.822  -0.909
  296    HG2  ARG  36           HG3      ARG  36  24.858  -1.303   0.869
  297    HG3  ARG  36           HG2      ARG  36  23.415  -2.225   1.218
  298    HD2  ARG  36           HD3      ARG  36  26.003  -3.190   2.400
  299    HD3  ARG  36           HD2      ARG  36  25.246  -1.765   3.100
  300    HE   ARG  36           HE       ARG  36  24.202  -4.499   3.164
  301   HH11  ARG  36          HH11      ARG  36  22.434  -4.784   4.565
  302   HH12  ARG  36          HH12      ARG  36  21.652  -3.403   5.259
  303   HH21  ARG  36          HH21      ARG  36  23.698  -1.105   3.667
  304   HH22  ARG  36          HH22      ARG  36  22.370  -1.326   4.757
  305    H    ASP  37           H        ASP  37  26.113  -4.981   1.401
  306    HA   ASP  37           HA       ASP  37  24.715  -6.374   3.604
  307    HB2  ASP  37           HB3      ASP  37  25.678  -8.050   2.029
  308    HB3  ASP  37           HB2      ASP  37  27.266  -7.334   2.287
  309    H    PHE  38           H        PHE  38  27.983  -6.741   3.811
  310    HA   PHE  38           HA       PHE  38  28.894  -4.221   4.654
  311    HB2  PHE  38           HB3      PHE  38  27.169  -5.461   6.551
  312    HB3  PHE  38           HB2      PHE  38  28.792  -5.660   7.201
  313    HD1  PHE  38           HD1      PHE  38  26.034  -3.418   6.839
  314    HD2  PHE  38           HD2      PHE  38  30.321  -3.520   7.201
  315    HE1  PHE  38           HE1      PHE  38  26.036  -1.047   7.561
  316    HE2  PHE  38           HE2      PHE  38  30.314  -1.152   7.922
  317    HZ   PHE  38           HZ       PHE  38  28.174   0.086   8.103
  318    H    ALA  39           H        ALA  39  29.506  -6.830   3.326
  319    HA   ALA  39           HA       ALA  39  31.247  -8.341   3.099
  320    HB1  ALA  39           HB1      ALA  39  32.303  -6.284   2.359
  321    HB2  ALA  39           HB2      ALA  39  33.469  -7.254   3.259
  322    HB3  ALA  39           HB3      ALA  39  32.705  -5.861   4.023
  323    H    ALA  40           H        ALA  40  29.974  -8.186   5.839
  324    HA   ALA  40           HA       ALA  40  30.283  -9.547   7.713
  325    HB1  ALA  40           HB1      ALA  40  32.245 -10.587   6.205
  326    HB2  ALA  40           HB2      ALA  40  32.112 -10.952   7.926
  327    HB3  ALA  40           HB3      ALA  40  33.258  -9.732   7.369
  328    H    TYR  41           H        TYR  41  30.036  -6.935   7.811
  329    HA   TYR  41           HA       TYR  41  30.499  -4.972   8.996
  330    HB2  TYR  41           HB3      TYR  41  29.796  -6.499  10.812
  331    HB3  TYR  41           HB2      TYR  41  31.481  -6.972  11.042
  332    HD1  TYR  41           HD1      TYR  41  29.260  -3.955  10.933
  333    HD2  TYR  41           HD2      TYR  41  32.880  -5.698  12.455
  334    HE1  TYR  41           HE1      TYR  41  29.619  -1.960  12.366
  335    HE2  TYR  41           HE2      TYR  41  33.237  -3.704  13.887
  336    HH   TYR  41           HH       TYR  41  32.503  -1.217  13.787
  337    H    ARG  42           H        ARG  42  32.832  -6.576   7.536
  338    HA   ARG  42           HA       ARG  42  35.275  -6.103   8.673
  339    HB2  ARG  42           HB3      ARG  42  34.352  -5.990   5.816
  340    HB3  ARG  42           HB2      ARG  42  35.928  -5.301   6.163
  341    HG2  ARG  42           HG3      ARG  42  36.637  -7.405   7.231
  342    HG3  ARG  42           HG2      ARG  42  35.060  -8.115   6.894
  343    HD2  ARG  42           HD3      ARG  42  35.422  -7.833   4.488
  344    HD3  ARG  42           HD2      ARG  42  36.978  -7.066   4.797
  345    HE   ARG  42           HE       ARG  42  36.445  -9.878   4.802
  346   HH11  ARG  42          HH11      ARG  42  38.149 -11.245   5.414
  347   HH12  ARG  42          HH12      ARG  42  39.517 -10.594   6.255
  348   HH21  ARG  42          HH21      ARG  42  38.285  -7.350   6.284
  349   HH22  ARG  42          HH22      ARG  42  39.594  -8.386   6.748
  350    HA   PRO  43           HA       PRO  43  36.136  -1.896   9.683
  351    HB2  PRO  43           HB3      PRO  43  38.065  -1.979   7.367
  352    HB3  PRO  43           HB2      PRO  43  38.288  -1.278   8.985
  353    HG2  PRO  43           HG3      PRO  43  39.286  -3.675   8.370
  354    HG3  PRO  43           HG2      PRO  43  38.622  -3.336   9.978
  355    HD2  PRO  43           HD3      PRO  43  37.508  -5.057   7.835
  356    HD3  PRO  43           HD2      PRO  43  37.156  -5.059   9.577
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1 -34.938   5.688  -3.322
    2    H2   GLY   1           H2       GLY   1 -36.273   5.740  -4.373
    3    H3   GLY   1           H3       GLY   1 -34.925   6.735  -4.657
    4    HA2  GLY   1           HA2      GLY   1 -34.867   4.896  -6.184
    5    HA3  GLY   1           HA1      GLY   1 -33.548   4.749  -5.021
    6    H    THR   2           H        THR   2 -33.398   2.504  -5.102
    7    HA   THR   2           HA       THR   2 -33.883   0.328  -4.545
    8    HB   THR   2           HB       THR   2 -35.062  -0.031  -2.518
    9    HG1  THR   2           HG1      THR   2 -36.191   2.506  -2.470
   10   HG21  THR   2          HG21      THR   2 -33.011   1.531  -2.468
   11   HG22  THR   2          HG22      THR   2 -34.062   1.537  -1.050
   12   HG23  THR   2          HG23      THR   2 -34.172   2.838  -2.235
   13    H    ASN   3           H        ASN   3 -35.223  -1.366  -5.221
   14    HA   ASN   3           HA       ASN   3 -36.939  -2.385  -6.378
   15    HB2  ASN   3           HB3      ASN   3 -38.780  -0.053  -5.946
   16    HB3  ASN   3           HB2      ASN   3 -39.109  -1.780  -5.849
   17   HD21  ASN   3          HD21      ASN   3 -38.136   1.023  -3.982
   18   HD22  ASN   3          HD22      ASN   3 -37.975   0.210  -2.502
   19    H    SER   4           H        SER   4 -36.984  -2.520  -8.545
   20    HA   SER   4           HA       SER   4 -36.889  -1.903 -10.781
   21    HB2  SER   4           HB3      SER   4 -38.543  -0.415 -11.465
   22    HB3  SER   4           HB2      SER   4 -39.140  -0.890  -9.877
   23    HG   SER   4           HG       SER   4 -38.240   1.530 -10.772
   24    H    ARG   5           H        ARG   5 -34.573  -1.359  -9.501
   25    HA   ARG   5           HA       ARG   5 -33.699   1.323  -9.564
   26    HB2  ARG   5           HB3      ARG   5 -32.145  -1.263  -9.805
   27    HB3  ARG   5           HB2      ARG   5 -31.397   0.325  -9.643
   28    HG2  ARG   5           HG3      ARG   5 -32.585   0.687  -7.516
   29    HG3  ARG   5           HG2      ARG   5 -33.352  -0.892  -7.667
   30    HD2  ARG   5           HD3      ARG   5 -31.102  -1.953  -7.680
   31    HD3  ARG   5           HD2      ARG   5 -30.376  -0.366  -7.443
   32    HE   ARG   5           HE       ARG   5 -31.651  -1.984  -5.431
   33   HH11  ARG   5          HH11      ARG   5 -31.701  -1.106  -3.338
   34   HH12  ARG   5          HH12      ARG   5 -31.423   0.587  -3.107
   35   HH21  ARG   5          HH21      ARG   5 -30.960   1.242  -6.481
   36   HH22  ARG   5          HH22      ARG   5 -31.004   1.917  -4.887
   37    H    ARG   6           H        ARG   6 -32.603  -1.201 -11.849
   38    HA   ARG   6           HA       ARG   6 -31.929  -1.104 -14.017
   39    HB2  ARG   6           HB3      ARG   6 -33.669  -0.635 -15.408
   40    HB3  ARG   6           HB2      ARG   6 -34.554  -0.262 -13.939
   41    HG2  ARG   6           HG3      ARG   6 -33.921   2.137 -14.193
   42    HG3  ARG   6           HG2      ARG   6 -33.077   1.741 -15.686
   43    HD2  ARG   6           HD3      ARG   6 -35.338   2.588 -16.163
   44    HD3  ARG   6           HD2      ARG   6 -35.169   0.909 -16.670
   45    HE   ARG   6           HE       ARG   6 -36.716   0.304 -15.036
   46   HH11  ARG   6          HH11      ARG   6 -38.257   0.805 -13.449
   47   HH12  ARG   6          HH12      ARG   6 -38.250   2.368 -12.703
   48   HH21  ARG   6          HH21      ARG   6 -35.537   3.521 -14.532
   49   HH22  ARG   6          HH22      ARG   6 -36.708   3.907 -13.316
   50    H    ASN   7           H        ASN   7 -30.283  -0.201 -15.131
   51    HA   ASN   7           HA       ASN   7 -28.584   1.282 -15.626
   52    HB2  ASN   7           HB3      ASN   7 -30.485   2.539 -16.617
   53    HB3  ASN   7           HB2      ASN   7 -30.702   3.371 -15.076
   54   HD21  ASN   7          HD21      ASN   7 -30.166   5.335 -16.687
   55   HD22  ASN   7          HD22      ASN   7 -28.521   5.723 -16.825
   56    H    ARG   8           H        ARG   8 -28.149   0.324 -13.258
   57    HA   ARG   8           HA       ARG   8 -28.283   1.738 -10.938
   58    HB2  ARG   8           HB3      ARG   8 -26.928  -0.491 -11.546
   59    HB3  ARG   8           HB2      ARG   8 -25.575   0.624 -11.604
   60    HG2  ARG   8           HG3      ARG   8 -25.586  -0.114  -9.365
   61    HG3  ARG   8           HG2      ARG   8 -26.403   1.444  -9.287
   62    HD2  ARG   8           HD3      ARG   8 -28.549   0.427  -9.089
   63    HD3  ARG   8           HD2      ARG   8 -27.948  -1.141  -9.609
   64    HE   ARG   8           HE       ARG   8 -27.299  -1.543  -7.423
   65   HH11  ARG   8          HH11      ARG   8 -27.132  -1.005  -5.228
   66   HH12  ARG   8          HH12      ARG   8 -27.288   0.646  -4.731
   67   HH21  ARG   8          HH21      ARG   8 -27.795   1.840  -7.949
   68   HH22  ARG   8          HH22      ARG   8 -27.662   2.258  -6.273
   69    H    LEU   9           H        LEU   9 -25.311   2.032 -12.919
   70    HA   LEU   9           HA       LEU   9 -25.471   4.867 -13.043
   71    HB2  LEU   9           HB3      LEU   9 -24.654   4.003 -10.568
   72    HB3  LEU   9           HB2      LEU   9 -23.107   4.166 -11.374
   73    HG   LEU   9           HG       LEU   9 -23.584   6.238 -10.245
   74   HD11  LEU   9          HD11      LEU   9 -22.605   6.381 -12.554
   75   HD12  LEU   9          HD12      LEU   9 -23.436   7.835 -12.017
   76   HD13  LEU   9          HD13      LEU   9 -24.218   6.751 -13.159
   77   HD21  LEU   9          HD21      LEU   9 -25.586   7.431 -10.317
   78   HD22  LEU   9          HD22      LEU   9 -26.147   5.765 -10.294
   79   HD23  LEU   9          HD23      LEU   9 -26.120   6.666 -11.810
   80    H    LEU  10           H        LEU  10 -24.982   2.642 -14.817
   81    HA   LEU  10           HA       LEU  10 -23.319   1.668 -16.203
   82    HB2  LEU  10           HB3      LEU  10 -22.560   3.470 -17.838
   83    HB3  LEU  10           HB2      LEU  10 -24.294   3.216 -17.677
   84    HG   LEU  10           HG       LEU  10 -23.051   5.271 -15.871
   85   HD11  LEU  10          HD11      LEU  10 -23.456   5.663 -18.852
   86   HD12  LEU  10          HD12      LEU  10 -21.957   5.869 -17.946
   87   HD13  LEU  10          HD13      LEU  10 -23.297   6.990 -17.703
   88   HD21  LEU  10          HD21      LEU  10 -25.176   6.301 -16.035
   89   HD22  LEU  10          HD22      LEU  10 -25.550   4.580 -16.041
   90   HD23  LEU  10          HD23      LEU  10 -25.557   5.487 -17.551
   91    H    GLN  11           H        GLN  11 -21.485   0.860 -15.425
   92    HA   GLN  11           HA       GLN  11 -19.244   0.742 -14.877
   93    HB2  GLN  11           HB3      GLN  11 -17.999   1.963 -16.341
   94    HB3  GLN  11           HB2      GLN  11 -19.434   2.884 -16.759
   95    HG2  GLN  11           HG3      GLN  11 -18.936   4.466 -14.908
   96    HG3  GLN  11           HG2      GLN  11 -17.484   3.540 -14.526
   97   HE21  GLN  11          HE21      GLN  11 -17.775   6.385 -15.574
   98   HE22  GLN  11          HE22      GLN  11 -16.822   6.419 -16.980
   99    H    SER  12           H        SER  12 -17.866   1.325 -13.161
  100    HA   SER  12           HA       SER  12 -17.409   2.031 -10.991
  101    HB2  SER  12           HB3      SER  12 -17.668   4.305 -10.531
  102    HB3  SER  12           HB2      SER  12 -17.626   4.282 -12.291
  103    HG   SER  12           HG       SER  12 -19.378   5.518 -11.340
  104    H    ASP  13           H        ASP  13 -18.508   0.479  -9.752
  105    HA   ASP  13           HA       ASP  13 -21.345   0.414  -9.474
  106    HB2  ASP  13           HB3      ASP  13 -20.915  -1.219  -7.685
  107    HB3  ASP  13           HB2      ASP  13 -19.962  -1.580  -9.121
  108    H    TYR  14           H        TYR  14 -22.671   1.141  -7.822
  109    HA   TYR  14           HA       TYR  14 -21.996   3.533  -6.574
  110    HB2  TYR  14           HB3      TYR  14 -24.317   2.748  -7.088
  111    HB3  TYR  14           HB2      TYR  14 -24.173   1.612  -5.748
  112    HD1  TYR  14           HD1      TYR  14 -24.625   5.102  -6.717
  113    HD2  TYR  14           HD2      TYR  14 -23.961   2.434  -3.423
  114    HE1  TYR  14           HE1      TYR  14 -25.260   6.902  -5.127
  115    HE2  TYR  14           HE2      TYR  14 -24.594   4.223  -1.832
  116    HH   TYR  14           HH       TYR  14 -24.909   7.494  -2.785
  117    H    MET  15           H        MET  15 -21.091   0.432  -5.735
  118    HA   MET  15           HA       MET  15 -20.754  -0.503  -3.528
  119    HB2  MET  15           HB3      MET  15 -18.710  -0.291  -4.841
  120    HB3  MET  15           HB2      MET  15 -18.507   1.363  -4.285
  121    HG2  MET  15           HG3      MET  15 -17.065  -0.244  -3.047
  122    HG3  MET  15           HG2      MET  15 -18.184   0.599  -1.988
  123    HE1  MET  15           HE1      MET  15 -18.309  -0.763  -0.089
  124    HE2  MET  15           HE2      MET  15 -19.384  -2.151   0.040
  125    HE3  MET  15           HE3      MET  15 -20.018  -0.604  -0.518
  126    H    ASN  16           H        ASN  16 -22.446   0.547  -2.320
  127    HA   ASN  16           HA       ASN  16 -22.730   2.893  -1.109
  128    HB2  ASN  16           HB3      ASN  16 -24.106   0.925  -0.483
  129    HB3  ASN  16           HB2      ASN  16 -22.769   0.322   0.499
  130   HD21  ASN  16          HD21      ASN  16 -23.230   3.785   0.388
  131   HD22  ASN  16          HD22      ASN  16 -23.902   3.940   1.939
  132    H    MET  17           H        MET  17 -21.944   4.131   0.530
  133    HA   MET  17           HA       MET  17 -20.491   4.828   2.247
  134    HB2  MET  17           HB3      MET  17 -18.620   2.533   1.598
  135    HB3  MET  17           HB2      MET  17 -18.602   3.569   3.006
  136    HG2  MET  17           HG3      MET  17 -20.004   2.164   4.112
  137    HG3  MET  17           HG2      MET  17 -21.215   2.308   2.853
  138    HE1  MET  17           HE1      MET  17 -21.503  -1.336   2.778
  139    HE2  MET  17           HE2      MET  17 -22.127   0.239   3.256
  140    HE3  MET  17           HE3      MET  17 -21.049  -0.638   4.338
  141    H    THR  18           H        THR  18 -18.661   3.343  -0.429
  142    HA   THR  18           HA       THR  18 -18.120   5.766  -1.720
  143    HB   THR  18           HB       THR  18 -16.602   5.538   0.620
  144    HG1  THR  18           HG1      THR  18 -16.466   7.508   0.003
  145   HG21  THR  18          HG21      THR  18 -14.289   5.343  -0.081
  146   HG22  THR  18          HG22      THR  18 -14.774   5.095  -1.758
  147   HG23  THR  18          HG23      THR  18 -15.136   3.868  -0.545
  148    HA   PRO  19           HA       PRO  19 -16.808   2.829  -4.762
  149    HB2  PRO  19           HB3      PRO  19 -15.270   4.323  -6.420
  150    HB3  PRO  19           HB2      PRO  19 -17.020   4.593  -6.265
  151    HG2  PRO  19           HG3      PRO  19 -14.768   6.048  -4.925
  152    HG3  PRO  19           HG2      PRO  19 -16.184   6.710  -5.768
  153    HD2  PRO  19           HD3      PRO  19 -16.108   6.504  -3.068
  154    HD3  PRO  19           HD2      PRO  19 -17.619   6.279  -3.982
  155    H    ARG  20           H        ARG  20 -15.155   1.380  -5.250
  156    HA   ARG  20           HA       ARG  20 -13.238   0.659  -3.540
  157    HB2  ARG  20           HB3      ARG  20 -11.915  -0.317  -5.375
  158    HB3  ARG  20           HB2      ARG  20 -13.636  -0.616  -5.581
  159    HG2  ARG  20           HG3      ARG  20 -13.822   0.933  -7.362
  160    HG3  ARG  20           HG2      ARG  20 -12.334   1.764  -6.921
  161    HD2  ARG  20           HD3      ARG  20 -10.981   0.040  -7.788
  162    HD3  ARG  20           HD2      ARG  20 -12.300  -1.128  -7.781
  163    HE   ARG  20           HE       ARG  20 -12.851  -0.371  -9.891
  164   HH11  ARG  20          HH11      ARG  20 -12.802   1.067 -11.641
  165   HH12  ARG  20          HH12      ARG  20 -12.021   2.604 -11.472
  166   HH21  ARG  20          HH21      ARG  20 -11.077   2.056  -8.180
  167   HH22  ARG  20          HH22      ARG  20 -11.042   3.164  -9.510
  168    H    ARG  21           H        ARG  21 -10.986   0.963  -3.226
  169    HA   ARG  21           HA       ARG  21 -10.193   3.737  -3.470
  170    HB2  ARG  21           HB3      ARG  21  -8.004   2.618  -2.384
  171    HB3  ARG  21           HB2      ARG  21  -9.444   2.952  -1.428
  172    HG2  ARG  21           HG3      ARG  21  -8.576   0.652  -1.055
  173    HG3  ARG  21           HG2      ARG  21 -10.215   0.649  -1.693
  174    HD2  ARG  21           HD3      ARG  21  -9.515  -0.057  -3.822
  175    HD3  ARG  21           HD2      ARG  21  -7.856   0.476  -3.562
  176    HE   ARG  21           HE       ARG  21  -8.942  -2.080  -2.888
  177   HH11  ARG  21          HH11      ARG  21  -7.595  -3.518  -1.760
  178   HH12  ARG  21          HH12      ARG  21  -6.190  -2.919  -0.943
  179   HH21  ARG  21          HH21      ARG  21  -6.734   0.378  -1.866
  180   HH22  ARG  21          HH22      ARG  21  -5.702  -0.715  -1.004
  181    HA   PRO  22           HA       PRO  22  -7.801   3.162  -7.150
  182    HB2  PRO  22           HB3      PRO  22  -5.903   5.098  -6.918
  183    HB3  PRO  22           HB2      PRO  22  -7.616   5.489  -7.188
  184    HG2  PRO  22           HG3      PRO  22  -6.063   5.486  -4.627
  185    HG3  PRO  22           HG2      PRO  22  -7.206   6.696  -5.244
  186    HD2  PRO  22           HD3      PRO  22  -7.932   4.822  -3.396
  187    HD3  PRO  22           HD2      PRO  22  -9.075   5.458  -4.603
  188    H    GLY  23           H        GLY  23  -6.075   1.889  -7.800
  189    HA2  GLY  23           HA2      GLY  23  -4.675   0.348  -5.912
  190    HA3  GLY  23           HA1      GLY  23  -4.215   0.507  -7.607
  191    H    LEU  24           H        LEU  24  -2.750   0.589  -4.872
  192    HA   LEU  24           HA       LEU  24  -0.974   2.805  -5.611
  193    HB2  LEU  24           HB3      LEU  24  -2.802   3.047  -3.495
  194    HB3  LEU  24           HB2      LEU  24  -1.302   2.617  -2.688
  195    HG   LEU  24           HG       LEU  24  -1.545   5.048  -2.838
  196   HD11  LEU  24          HD11      LEU  24   0.637   5.526  -3.494
  197   HD12  LEU  24          HD12      LEU  24   0.604   4.387  -4.835
  198   HD13  LEU  24          HD13      LEU  24   0.718   3.795  -3.177
  199   HD21  LEU  24          HD21      LEU  24  -2.027   6.233  -4.745
  200   HD22  LEU  24          HD22      LEU  24  -2.831   4.727  -5.178
  201   HD23  LEU  24          HD23      LEU  24  -1.226   5.089  -5.817
  202    H    THR  25           H        THR  25  -0.937  -0.126  -5.777
  203    HA   THR  25           HA       THR  25   1.310  -0.792  -3.961
  204    HB   THR  25           HB       THR  25   0.881  -3.156  -4.885
  205    HG1  THR  25           HG1      THR  25  -1.027  -1.648  -6.161
  206   HG21  THR  25          HG21      THR  25  -1.332  -3.360  -3.527
  207   HG22  THR  25          HG22      THR  25  -1.085  -1.660  -3.142
  208   HG23  THR  25          HG23      THR  25   0.125  -2.858  -2.674
  209    H    ARG  26           H        ARG  26   0.380  -1.590  -7.293
  210    HA   ARG  26           HA       ARG  26   2.517  -2.448  -8.552
  211    HB2  ARG  26           HB3      ARG  26   0.585  -1.710  -9.847
  212    HB3  ARG  26           HB2      ARG  26   0.980  -0.021  -9.531
  213    HG2  ARG  26           HG3      ARG  26   3.268  -1.465 -10.708
  214    HG3  ARG  26           HG2      ARG  26   1.843  -1.551 -11.737
  215    HD2  ARG  26           HD3      ARG  26   3.005   1.008 -10.608
  216    HD3  ARG  26           HD2      ARG  26   3.230   0.435 -12.256
  217    HE   ARG  26           HE       ARG  26   0.532   0.505 -12.018
  218   HH11  ARG  26          HH11      ARG  26  -0.727   2.350 -12.430
  219   HH12  ARG  26          HH12      ARG  26  -0.036   3.925 -12.230
  220   HH21  ARG  26          HH21      ARG  26   3.060   2.731 -11.233
  221   HH22  ARG  26          HH22      ARG  26   2.108   4.144 -11.551
  222    H    LYS  27           H        LYS  27   4.583  -2.126  -8.073
  223    HA   LYS  27           HA       LYS  27   5.898  -0.200  -6.886
  224    HB2  LYS  27           HB3      LYS  27   7.814  -1.251  -7.544
  225    HB3  LYS  27           HB2      LYS  27   6.736  -2.358  -8.358
  226    HG2  LYS  27           HG3      LYS  27   7.949   0.085  -9.711
  227    HG3  LYS  27           HG2      LYS  27   8.666  -1.513  -9.744
  228    HD2  LYS  27           HD3      LYS  27   5.905  -0.846 -10.815
  229    HD3  LYS  27           HD2      LYS  27   7.349  -1.073 -11.784
  230    HE2  LYS  27           HE3      LYS  27   7.472  -3.392 -10.479
  231    HE3  LYS  27           HE2      LYS  27   5.737  -3.117 -10.301
  232    HZ1  LYS  27           HZ1      LYS  27   5.374  -3.351 -12.502
  233    HZ2  LYS  27           HZ2      LYS  27   6.789  -4.288 -12.418
  234    HZ3  LYS  27           HZ3      LYS  27   6.866  -2.677 -12.950
  235    HA   PRO  28           HA       PRO  28   5.578   3.567  -9.126
  236    HB2  PRO  28           HB3      PRO  28   7.742   4.949  -8.264
  237    HB3  PRO  28           HB2      PRO  28   6.421   4.502  -7.163
  238    HG2  PRO  28           HG3      PRO  28   9.056   3.136  -7.590
  239    HG3  PRO  28           HG2      PRO  28   8.257   3.576  -6.068
  240    HD2  PRO  28           HD3      PRO  28   8.118   1.056  -7.101
  241    HD3  PRO  28           HD2      PRO  28   6.792   1.777  -6.155
  242    H    TYR  29           H        TYR  29   6.648   1.484 -10.754
  243    HA   TYR  29           HA       TYR  29   7.901   1.060 -12.643
  244    HB2  TYR  29           HB3      TYR  29   8.025   2.911 -14.259
  245    HB3  TYR  29           HB2      TYR  29   6.426   2.783 -13.536
  246    HD1  TYR  29           HD1      TYR  29   9.535   4.760 -13.675
  247    HD2  TYR  29           HD2      TYR  29   5.585   4.490 -12.014
  248    HE1  TYR  29           HE1      TYR  29   9.685   7.124 -12.945
  249    HE2  TYR  29           HE2      TYR  29   5.732   6.858 -11.279
  250    HH   TYR  29           HH       TYR  29   7.242   8.569 -10.886
  251    H    GLN  30           H        GLN  30   9.941   0.658 -13.132
  252    HA   GLN  30           HA       GLN  30  12.196   0.467 -12.504
  253    HB2  GLN  30           HB3      GLN  30  13.496   1.980 -13.735
  254    HB3  GLN  30           HB2      GLN  30  11.959   1.957 -14.584
  255    HG2  GLN  30           HG3      GLN  30  11.535   4.026 -12.822
  256    HG3  GLN  30           HG2      GLN  30  13.263   4.170 -13.072
  257   HE21  GLN  30          HE21      GLN  30  12.050   6.321 -14.040
  258   HE22  GLN  30          HE22      GLN  30  11.813   6.250 -15.719
  259    HA   PRO  31           HA       PRO  31  11.416   2.623  -8.394
  260    HB2  PRO  31           HB3      PRO  31  12.819   0.065  -7.675
  261    HB3  PRO  31           HB2      PRO  31  11.476   0.883  -6.846
  262    HG2  PRO  31           HG3      PRO  31  11.040  -1.258  -8.353
  263    HG3  PRO  31           HG2      PRO  31   9.903   0.103  -8.351
  264    HD2  PRO  31           HD3      PRO  31  11.876  -0.692 -10.455
  265    HD3  PRO  31           HD2      PRO  31  10.295   0.095 -10.632
  266    H    TYR  32           H        TYR  32  14.245   0.900  -9.610
  267    HA   TYR  32           HA       TYR  32  16.515   1.247  -9.315
  268    HB2  TYR  32           HB3      TYR  32  17.179   3.185 -10.369
  269    HB3  TYR  32           HB2      TYR  32  15.474   3.208 -10.800
  270    HD1  TYR  32           HD1      TYR  32  13.944   4.834  -9.797
  271    HD2  TYR  32           HD2      TYR  32  18.079   4.664  -8.650
  272    HE1  TYR  32           HE1      TYR  32  13.722   7.034  -8.673
  273    HE2  TYR  32           HE2      TYR  32  17.860   6.860  -7.522
  274    HH   TYR  32           HH       TYR  32  15.190   8.906  -7.996
  275    H    ALA  33           H        ALA  33  17.310   0.735  -7.397
  276    HA   ALA  33           HA       ALA  33  17.511   2.824  -5.347
  277    HB1  ALA  33           HB1      ALA  33  15.453   1.606  -4.791
  278    HB2  ALA  33           HB2      ALA  33  16.712   1.335  -3.586
  279    HB3  ALA  33           HB3      ALA  33  16.356   0.091  -4.785
  280    HA   PRO  34           HA       PRO  34  21.364   0.284  -6.075
  281    HB2  PRO  34           HB3      PRO  34  22.499   2.914  -5.190
  282    HB3  PRO  34           HB2      PRO  34  23.023   1.850  -6.510
  283    HG2  PRO  34           HG3      PRO  34  21.684   4.108  -6.998
  284    HG3  PRO  34           HG2      PRO  34  21.422   2.648  -7.968
  285    HD2  PRO  34           HD3      PRO  34  19.675   3.838  -5.847
  286    HD3  PRO  34           HD2      PRO  34  19.218   2.949  -7.320
  287    H    ALA  35           H        ALA  35  21.610  -1.059  -4.413
  288    HA   ALA  35           HA       ALA  35  21.716   0.032  -1.645
  289    HB1  ALA  35           HB1      ALA  35  19.809  -1.558  -2.200
  290    HB2  ALA  35           HB2      ALA  35  20.822  -2.016  -0.833
  291    HB3  ALA  35           HB3      ALA  35  21.031  -2.818  -2.387
  292    H    ARG  36           H        ARG  36  22.887  -2.755  -3.541
  293    HA   ARG  36           HA       ARG  36  24.730  -4.132  -3.040
  294    HB2  ARG  36           HB3      ARG  36  26.760  -3.002  -3.929
  295    HB3  ARG  36           HB2      ARG  36  25.349  -2.822  -4.950
  296    HG2  ARG  36           HG3      ARG  36  26.183  -0.640  -4.971
  297    HG3  ARG  36           HG2      ARG  36  25.020  -0.529  -3.662
  298    HD2  ARG  36           HD3      ARG  36  27.878  -1.288  -3.048
  299    HD3  ARG  36           HD2      ARG  36  27.457   0.394  -3.322
  300    HE   ARG  36           HE       ARG  36  26.601  -1.270  -1.074
  301   HH11  ARG  36          HH11      ARG  36  25.677  -0.113   0.645
  302   HH12  ARG  36          HH12      ARG  36  25.294   1.565   0.452
  303   HH21  ARG  36          HH21      ARG  36  26.395   1.721  -2.829
  304   HH22  ARG  36          HH22      ARG  36  25.702   2.602  -1.508
  305    H    ASP  37           H        ASP  37  27.392  -3.162  -2.273
  306    HA   ASP  37           HA       ASP  37  26.967  -2.457   0.568
  307    HB2  ASP  37           HB3      ASP  37  27.268  -4.885   0.453
  308    HB3  ASP  37           HB2      ASP  37  28.754  -4.665  -0.469
  309    H    PHE  38           H        PHE  38  30.050  -3.446  -0.465
  310    HA   PHE  38           HA       PHE  38  31.024  -1.034  -1.554
  311    HB2  PHE  38           HB3      PHE  38  30.644  -0.933   1.253
  312    HB3  PHE  38           HB2      PHE  38  32.376  -1.127   1.034
  313    HD1  PHE  38           HD1      PHE  38  29.595   1.155   0.877
  314    HD2  PHE  38           HD2      PHE  38  33.579   0.482  -0.599
  315    HE1  PHE  38           HE1      PHE  38  29.769   3.546   0.248
  316    HE2  PHE  38           HE2      PHE  38  33.746   2.875  -1.223
  317    HZ   PHE  38           HZ       PHE  38  31.844   4.405  -0.801
  318    H    ALA  39           H        ALA  39  31.129  -4.130  -0.716
  319    HA   ALA  39           HA       ALA  39  32.587  -5.901  -0.985
  320    HB1  ALA  39           HB1      ALA  39  33.576  -3.948  -3.059
  321    HB2  ALA  39           HB2      ALA  39  32.477  -5.308  -3.285
  322    HB3  ALA  39           HB3      ALA  39  34.179  -5.600  -2.928
  323    H    ALA  40           H        ALA  40  33.300  -4.391   1.228
  324    HA   ALA  40           HA       ALA  40  35.076  -4.553   2.726
  325    HB1  ALA  40           HB1      ALA  40  37.132  -4.794   0.550
  326    HB2  ALA  40           HB2      ALA  40  36.096  -6.177   0.893
  327    HB3  ALA  40           HB3      ALA  40  37.116  -5.506   2.163
  328    H    TYR  41           H        TYR  41  33.946  -2.281   1.796
  329    HA   TYR  41           HA       TYR  41  34.281   0.042   1.567
  330    HB2  TYR  41           HB3      TYR  41  35.187  -0.341   3.836
  331    HB3  TYR  41           HB2      TYR  41  36.781  -0.625   3.135
  332    HD1  TYR  41           HD1      TYR  41  34.004   1.905   3.031
  333    HD2  TYR  41           HD2      TYR  41  38.244   1.202   2.927
  334    HE1  TYR  41           HE1      TYR  41  34.410   4.350   2.990
  335    HE2  TYR  41           HE2      TYR  41  38.645   3.650   2.886
  336    HH   TYR  41           HH       TYR  41  37.291   5.722   2.126
  337    H    ARG  42           H        ARG  42  35.774  -2.027  -0.262
  338    HA   ARG  42           HA       ARG  42  38.163  -1.149  -1.224
  339    HB2  ARG  42           HB3      ARG  42  35.768  -2.308  -2.612
  340    HB3  ARG  42           HB2      ARG  42  36.985  -1.574  -3.643
  341    HG2  ARG  42           HG3      ARG  42  38.727  -2.990  -2.615
  342    HG3  ARG  42           HG2      ARG  42  37.513  -3.749  -1.586
  343    HD2  ARG  42           HD3      ARG  42  36.370  -4.681  -3.483
  344    HD3  ARG  42           HD2      ARG  42  37.340  -3.732  -4.608
  345    HE   ARG  42           HE       ARG  42  38.085  -6.229  -3.424
  346   HH11  ARG  42          HH11      ARG  42  40.190  -6.977  -3.827
  347   HH12  ARG  42          HH12      ARG  42  41.392  -5.883  -4.426
  348   HH21  ARG  42          HH21      ARG  42  39.256  -3.155  -4.495
  349   HH22  ARG  42          HH22      ARG  42  40.862  -3.719  -4.804
  350    HA   PRO  43           HA       PRO  43  38.325   3.028  -2.643
  351    HB2  PRO  43           HB3      PRO  43  38.442   1.838  -5.408
  352    HB3  PRO  43           HB2      PRO  43  39.387   3.179  -4.727
  353    HG2  PRO  43           HG3      PRO  43  40.412   0.718  -4.903
  354    HG3  PRO  43           HG2      PRO  43  40.768   1.776  -3.524
  355    HD2  PRO  43           HD3      PRO  43  39.114  -0.681  -3.596
  356    HD3  PRO  43           HD2      PRO  43  39.864   0.130  -2.203