*HEADER    TOXIN                                   25-JUN-01   1JGK              
*TITLE     SOLUTION STRUCTURE OF CANDOXIN                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CANDOXIN;                                                  
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BUNGARUS CANDIDUS;                              
*SOURCE   3 ORGANISM_COMMON: MALAYAN KRAIT;                                      
*SOURCE   4 OTHER_DETAILS: SNAKE VENOM PROTEIN                                   
*KEYWDS    BETA SHEET, SNAKE VENOM PROTEIN, BUNGARUS CANDIDUS                    
*EXPDTA    NMR, 19 STRUCTURES                                                    
*AUTHOR    R.P.VENKITAKRISHNAN, K.V.R.CHARY, M.R.KINI, G.GOVIL                   
*REVDAT   1   28-DEC-01 1JGK    0                                                


!distance and nOe constraints
!
assign (resid    2 and  name HA   )(resid   18 and  name HA   ) 2.7 0.9 0.5
assign (resid    4 and  name HA   )(resid   16 and  name HA   ) 2.7 0.9 0.5
assign (resid    6 and  name HA   )(resid   11 and  name HA   ) 5.0 3.2 0.5
assign (resid   25 and  name HA   )(resid   61 and  name HA   ) 3.1 1.3 0.5
assign (resid    3 and  name HA   )(resid   64 and  name HA   ) 4.0 2.2 0.5
assign (resid   26 and  name HA   )(resid   43 and  name HA   ) 2.7 0.9 0.2
assign (resid   27 and  name HA   )(resid   59 and  name HA   ) 2.7 0.9 0.2
assign (resid   28 and  name HA   )(resid   41 and  name HA   ) 3.0 1.2 0.2
assign (resid   29 and  name HA   )(resid   57 and  name HA   ) 2.7 0.9 0.2
assign (resid   30 and  name HA   )(resid   39 and  name HA   ) 2.7 0.9 0.2
assign (resid   31 and  name HA   )(resid   55 and  name HA   ) 2.7 0.9 0.2
assign (resid   32 and  name HA   )(resid   37 and  name HA   ) 2.7 0.9 0.2
!
assign (resid    3 and  name O    )(resid   17 and  name HN   ) 1.9 0.1 0.1
assign (resid    5 and  name O    )(resid   15 and  name HN   ) 1.9 0.1 0.1
assign (resid   25 and  name O    )(resid   44 and  name HN   ) 1.9 0.1 0.1
assign (resid   26 and  name O    )(resid   60 and  name HN   ) 1.9 0.1 0.1
assign (resid   28 and  name O    )(resid   58 and  name HN   ) 1.9 0.1 0.1
assign (resid   29 and  name O    )(resid   40 and  name HN   ) 1.9 0.1 0.1
assign (resid   30 and  name O    )(resid   56 and  name HN   ) 1.9 0.1 0.1
assign (resid   31 and  name O    )(resid   38 and  name HN   ) 1.9 0.1 0.1
!
assign (resid    3 and  name O    )(resid   17 and  name N    ) 2.9 0.2 0.1
assign (resid    5 and  name O    )(resid   15 and  name N    ) 2.9 0.2 0.1
assign (resid   25 and  name O    )(resid   44 and  name N    ) 2.9 0.2 0.1
assign (resid   26 and  name O    )(resid   60 and  name N    ) 2.9 0.2 0.1
assign (resid   28 and  name O    )(resid   58 and  name N    ) 2.9 0.2 0.1
assign (resid   29 and  name O    )(resid   40 and  name N    ) 2.9 0.2 0.1
assign (resid   30 and  name O    )(resid   56 and  name N    ) 2.9 0.2 0.1
assign (resid   31 and  name O    )(resid   38 and  name N    ) 2.9 0.2 0.1
!
assign (resid    3 and  name HN   )(resid   17 and  name O    ) 1.9 0.1 0.1
assign (resid    5 and  name HN   )(resid   15 and  name O    ) 1.9 0.1 0.1
assign (resid   25 and  name HN   )(resid   44 and  name O    ) 1.9 0.1 0.1
assign (resid   26 and  name HN   )(resid   60 and  name O    ) 1.9 0.1 0.1
assign (resid   28 and  name HN   )(resid   58 and  name O    ) 1.9 0.1 0.1
assign (resid   29 and  name HN   )(resid   40 and  name O    ) 1.9 0.1 0.1
assign (resid   30 and  name HN   )(resid   56 and  name O    ) 1.9 0.1 0.1
assign (resid   31 and  name HN   )(resid   38 and  name O    ) 1.9 0.1 0.1
!
assign (resid    3 and  name N    )(resid   17 and  name O    ) 2.9 0.2 0.1
assign (resid    5 and  name N    )(resid   15 and  name O    ) 2.9 0.2 0.1
assign (resid   25 and  name N    )(resid   44 and  name O    ) 2.9 0.2 0.1
assign (resid   26 and  name N    )(resid   60 and  name O    ) 2.9 0.2 0.1
assign (resid   28 and  name N    )(resid   58 and  name O    ) 2.9 0.2 0.1
assign (resid   29 and  name N    )(resid   40 and  name O    ) 2.9 0.2 0.1
assign (resid   30 and  name N    )(resid   56 and  name O    ) 2.9 0.2 0.1
assign (resid   31 and  name N    )(resid   38 and  name O    ) 2.9 0.2 0.1
!
assign (resid    3 and  name HN   )(resid   17 and  name HN   ) 3.2 1.4 0.5
assign (resid    5 and  name HN   )(resid   15 and  name HN   ) 3.2 1.4 0.5
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 4.5 2.7 0.5
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 4.5 2.7 0.5
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 4.5 2.7 0.5
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 4.5 2.7 0.5
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 3.1 1.3 0.5
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 4.5 2.7 0.5
assign (resid   19 and  name HN   )(resid   21 and  name HN   ) 4.5 2.7 0.5
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 4.5 2.7 0.5
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 2.7 0.9 0.5
assign (resid   25 and  name HN   )(resid   44 and  name HN   ) 3.2 1.4 0.5
assign (resid   26 and  name HN   )(resid   60 and  name HN   ) 3.2 1.4 0.5
assign (resid   28 and  name HN   )(resid   58 and  name HN   ) 3.2 1.4 0.5
assign (resid   29 and  name HN   )(resid   40 and  name HN   ) 3.2 1.4 0.5
assign (resid   30 and  name HN   )(resid   56 and  name HN   ) 3.2 1.4 0.5
assign (resid   31 and  name HN   )(resid   38 and  name HN   ) 3.2 1.4 0.5
assign (resid   32 and  name HN   )(resid   54 and  name HN   ) 4.5 2.7 0.5
assign (resid   33 and  name HN   )(resid   34 and  name HN   ) 4.5 2.7 0.5
assign (resid   34 and  name HN   )(resid   35 and  name HN   ) 4.5 2.7 0.5
assign (resid   35 and  name HN   )(resid   36 and  name HN   ) 3.1 1.3 0.5
assign (resid   42 and  name HN   )(resid   43 and  name HN   ) 5.0 3.2 0.5
assign (resid   51 and  name HN   )(resid   54 and  name HN   ) 2.3 0.5 0.5
assign (resid   52 and  name HN   )(resid   53 and  name HN   ) 4.5 2.7 0.5
assign (resid   53 and  name HN   )(resid   54 and  name HN   ) 4.5 2.7 0.5
assign (resid   54 and  name HN   )(resid   55 and  name HN   ) 5.0 3.2 0.5
!
assign (resid    3 and  name SG   )(resid   26 and  name SG   ) 2.1 0.2 0.2
assign (resid    6 and  name SG   )(resid   11 and  name SG   ) 2.1 0.2 0.2
assign (resid   19 and  name SG   )(resid   43 and  name SG   ) 2.1 0.2 0.2
assign (resid   47 and  name SG   )(resid   59 and  name SG   ) 2.1 0.2 0.2
assign (resid   60 and  name SG   )(resid   65 and  name SG   ) 2.1 0.2 0.2
!
assign (resid    7 and  name O    )(resid   10 and  name HN   ) 3.4 1.6 0.2
assign (resid    7 and  name O    )(resid   10 and  name N    ) 4.4 2.6 0.2
assign (resid    8 and  name CA   )(resid   10 and  name HN   ) 3.3 1.5 0.5
assign (resid    8 and  name CA   )(resid    9 and  name HN   ) 2.2 0.4 0.5
assign (resid    9 and  name N    )(resid   10 and  name HN   ) 3.4 1.4 0.5
assign (resid   13 and  name CA   )(resid   15 and  name HN   ) 3.6 1.8 0.5
assign (resid   13 and  name CA   )(resid   14 and  name HN   ) 2.2 0.4 0.5
assign (resid   14 and  name N    )(resid   15 and  name HN   ) 3.4 1.4 0.5
assign (resid   34 and  name HN   )(resid   35 and  name HN   ) 2.6 0.8 0.5
assign (resid   34 and  name CA   )(resid   36 and  name HN   ) 5.0 3.2 0.5
assign (resid   35 and  name HN   )(resid   36 and  name HN   ) 2.4 0.6 0.5
assign (resid   45 and  name CA   )(resid   47 and  name HN   ) 5.0 3.2 0.5
assign (resid   45 and  name CA   )(resid   46 and  name HN   ) 2.2 0.4 0.5
assign (resid   46 and  name N    )(resid   47 and  name HN   ) 3.4 1.4 0.5
assign (resid   64 and  name HN   )(resid   65 and  name HN   ) 5.0 0.8 0.5
assign (resid   64 and  name CA   )(resid   66 and  name HN   ) 3.6 1.8 0.5
assign (resid   65 and  name HN   )(resid   66 and  name HN   ) 2.4 0.6 0.5
!
assign (resid    2 and  name HN   )(resid    1 and  name HA   ) 2.7 0.9 0.5
assign (resid    2 and  name HN   )(resid    1 and  name HB2  ) 4.5 2.7 0.5
assign (resid    2 and  name HN   )(resid    1 and  name HB1  ) 4.5 2.7 0.5
assign (resid    2 and  name HN   )(resid    1 and  name HG*  ) 4.5 2.7 0.5
assign (resid    2 and  name HN   )(resid    2 and  name HA   ) 4.5 2.7 0.5
assign (resid    2 and  name HN   )(resid    2 and  name HB2  ) 4.5 2.7 0.5
assign (resid    2 and  name HN   )(resid    2 and  name HB1  ) 4.5 2.7 0.5
assign (resid    2 and  name HN   )(resid   66 and  name HB2  ) 4.5 2.7 0.5
assign (resid    2 and  name HN   )(resid   66 and  name HB1  ) 4.5 2.7 0.5
assign (resid    2 and  name HN   )(resid   66 and  name HB*  ) 4.5 2.7 0.5
assign (resid    2 and  name HN   )(resid   66 and  name HD2* ) 3.1 1.3 0.5
assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 2.3 0.5 0.5
assign (resid    3 and  name HN   )(resid    2 and  name HB2  ) 3.1 1.3 0.5
assign (resid    3 and  name HN   )(resid    2 and  name HB1  ) 3.1 1.3 0.5
assign (resid    3 and  name HN   )(resid    2 and  name HG*  ) 4.5 2.7 0.5
assign (resid    3 and  name HN   )(resid    3 and  name HA   ) 4.5 2.7 0.5
assign (resid    3 and  name HN   )(resid    3 and  name HB*  ) 4.5 2.7 0.5
assign (resid    3 and  name HN   )(resid   16 and  name HA   ) 5.5 3.7 0.5
assign (resid    3 and  name HN   )(resid   18 and  name HA   ) 4.5 2.7 0.5
assign (resid    3 and  name HN   )(resid   18 and  name HG# ) 5.5 3.7 0.5
assign (resid    4 and  name HN   )(resid    3 and  name HA   ) 2.3 0.5 0.5
assign (resid    4 and  name HN   )(resid    3 and  name HB2  ) 4.0 2.2 0.5
assign (resid    4 and  name HN   )(resid    3 and  name HB1  ) 4.5 2.7 0.5
assign (resid    4 and  name HN   )(resid    4 and  name HA   ) 3.1 1.3 0.5
assign (resid    4 and  name HN   )(resid    4 and  name HB2  ) 4.5 2.7 0.5
assign (resid    4 and  name HN   )(resid    4 and  name HB1  ) 3.1 1.3 0.5
assign (resid    4 and  name HN   )(resid    4 and  name HG2  ) 4.5 2.7 0.5
assign (resid    4 and  name HN   )(resid    4 and  name HG1  ) 4.5 2.7 0.5
assign (resid    4 and  name HN   )(resid   16 and  name HB*  ) 4.5 2.7 0.5
assign (resid    4 and  name HN   )(resid   16 and  name HD#  ) 4.5 2.7 0.5
assign (resid    4 and  name HN   )(resid   64 and  name HA   ) 4.5 2.7 0.5
assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 2.3 0.5 0.5
assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 3.1 1.3 0.5
assign (resid    5 and  name HN   )(resid    5 and  name HB   ) 3.1 1.3 0.5
assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 2.3 0.5 0.5
assign (resid    6 and  name HN   )(resid    6 and  name HA   ) 4.5 2.7 0.5
assign (resid    6 and  name HN   )(resid    6 and  name HB2  ) 4.5 2.7 0.5
assign (resid    6 and  name HN   )(resid    6 and  name HB1  ) 4.5 2.7 0.5
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 3.1 1.3 0.5
assign (resid    7 and  name HN   )(resid    7 and  name HA   ) 4.5 2.7 0.5
assign (resid    7 and  name HN   )(resid    7 and  name HB2  ) 4.5 2.7 0.5
assign (resid    7 and  name HN   )(resid    7 and  name HB1  ) 4.5 2.7 0.5
assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 4.5 2.7 0.5
assign (resid    8 and  name HN   )(resid    7 and  name HB2  ) 4.5 2.7 0.5
assign (resid    8 and  name HN   )(resid    7 and  name HB1  ) 4.5 2.7 0.5
assign (resid    8 and  name HN   )(resid    8 and  name HB*  ) 4.5 2.7 0.5
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 4.5 2.7 0.5
assign (resid    9 and  name HN   )(resid    9 and  name HA   ) 3.1 1.3 0.5
assign (resid    9 and  name HN   )(resid    9 and  name HB*  ) 3.3 1.5 0.5
assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 4.5 2.7 0.5
assign (resid   10 and  name HN   )(resid    9 and  name HB2  ) 4.5 2.7 0.5
assign (resid   10 and  name HN   )(resid    9 and  name HB1  ) 4.5 2.7 0.5
assign (resid   10 and  name HN   )(resid   10 and  name HA   ) 4.5 2.7 0.5
assign (resid   10 and  name HN   )(resid   10 and  name HB   ) 3.1 1.3 0.5
assign (resid   10 and  name HN   )(resid   10 and  name HG2* ) 3.1 1.3 0.5
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 3.0 1.2 0.5
assign (resid   11 and  name HN   )(resid   10 and  name HB   ) 4.5 2.7 0.5
assign (resid   11 and  name HN   )(resid   10 and  name HG2* ) 4.5 2.7 0.5
assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 2.9 1.1 0.5
assign (resid   11 and  name HN   )(resid   11 and  name HB*  ) 4.5 2.7 0.5
assign (resid   12 and  name HN   )(resid   11 and  name HA   ) 2.3 0.5 0.5
assign (resid   12 and  name HN   )(resid   11 and  name HB2  ) 4.5 2.7 0.5
assign (resid   12 and  name HN   )(resid   11 and  name HB1  ) 4.5 2.7 0.5
assign (resid   12 and  name HN   )(resid   12 and  name HA   ) 3.1 1.3 0.5
assign (resid   12 and  name HN   )(resid   12 and  name HB*  ) 4.5 2.7 0.5
assign (resid   12 and  name HN   )(resid   12 and  name HG*  ) 3.1 1.3 0.5
assign (resid   13 and  name HN   )(resid   12 and  name HA   ) 2.9 1.1 0.5
assign (resid   13 and  name HN   )(resid   12 and  name HB1  ) 3.5 1.7 0.5
assign (resid   13 and  name HN   )(resid   12 and  name HB2  ) 3.5 1.7 0.5
assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 3.1 1.3 0.5
assign (resid   13 and  name HN   )(resid   13 and  name HB*  ) 3.1 1.3 0.5
assign (resid   14 and  name HN   )(resid   13 and  name HA   ) 3.1 1.3 0.5
assign (resid   14 and  name HN   )(resid   13 and  name HB*  ) 4.5 2.7 0.5
assign (resid   14 and  name HN   )(resid   14 and  name HA2  ) 3.1 1.3 0.5
assign (resid   14 and  name HN   )(resid   14 and  name HA1  ) 3.1 1.3 0.5
assign (resid   15 and  name HN   )(resid   13 and  name HA   ) 4.5 2.7 0.5
assign (resid   15 and  name HN   )(resid   14 and  name HA2  ) 4.5 2.7 0.5
assign (resid   15 and  name HN   )(resid   14 and  name HA1  ) 4.5 2.7 0.5
assign (resid   15 and  name HN   )(resid   15 and  name HA   ) 3.1 1.3 0.5
assign (resid   15 and  name HN   )(resid   15 and  name HB2  ) 4.5 2.7 0.5
assign (resid   15 and  name HN   )(resid   15 and  name HB1  ) 4.5 2.7 0.5
assign (resid   15 and  name HN   )(resid   15 and  name HG*  ) 4.5 2.7 0.5
assign (resid   16 and  name HN   )(resid   15 and  name HA   ) 2.3 0.5 0.5
assign (resid   16 and  name HN   )(resid   15 and  name HB2  ) 4.5 2.7 0.5
assign (resid   16 and  name HN   )(resid   15 and  name HB1  ) 4.5 2.7 0.5
assign (resid   16 and  name HN   )(resid   15 and  name HG*  ) 4.5 2.7 0.5
assign (resid   16 and  name HN   )(resid   16 and  name HA   ) 2.9 1.1 0.5
assign (resid   16 and  name HN   )(resid   16 and  name HB2  ) 4.5 2.7 0.5
assign (resid   16 and  name HN   )(resid   16 and  name HB1  ) 4.5 2.7 0.5
assign (resid   16 and  name HN   )(resid   16 and  name HD1* ) 5.0 3.2 0.5
assign (resid   16 and  name HN   )(resid   16 and  name HD2* ) 5.0 3.2 0.5
assign (resid   17 and  name HN   )(resid    4 and  name HA   ) 4.5 2.7 0.5
assign (resid   17 and  name HN   )(resid   16 and  name HA   ) 3.1 1.3 0.5
assign (resid   17 and  name HN   )(resid   16 and  name HB2  ) 4.5 2.7 0.5
assign (resid   17 and  name HN   )(resid   16 and  name HB1  ) 4.5 2.7 0.5
assign (resid   17 and  name HN   )(resid   16 and  name HD#  ) 4.5 2.7 0.5
assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 3.1 1.3 0.5
assign (resid   17 and  name HN   )(resid   17 and  name HB2  ) 4.5 2.7 0.5
assign (resid   17 and  name HN   )(resid   17 and  name HB1  ) 4.5 2.7 0.5
assign (resid   17 and  name HN   )(resid   18 and  name HG# ) 5.5 3.7 0.5
assign (resid   18 and  name HN   )(resid   17 and  name HA   ) 2.7 0.9 0.5
assign (resid   18 and  name HN   )(resid   17 and  name HB2  ) 4.5 2.7 0.5
assign (resid   18 and  name HN   )(resid   17 and  name HB1  ) 4.5 2.7 0.5
assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 3.1 1.3 0.5
assign (resid   18 and  name HN   )(resid   18 and  name HB   ) 3.1 1.3 0.5
assign (resid   18 and  name HN   )(resid   18 and  name HG1* ) 4.5 2.7 0.5
assign (resid   18 and  name HN   )(resid   18 and  name HG2* ) 4.5 2.7 0.5
assign (resid   19 and  name HN   )(resid    2 and  name HA   ) 4.5 2.7 0.5
assign (resid   19 and  name HN   )(resid    2 and  name HG2  ) 5.5 3.7 0.5
assign (resid   19 and  name HN   )(resid    2 and  name HG1  ) 5.5 3.7 0.5
assign (resid   19 and  name HN   )(resid   18 and  name HB   ) 4.5 2.7 0.5
assign (resid   19 and  name HN   )(resid   18 and  name HG1* ) 4.5 2.7 0.5
assign (resid   19 and  name HN   )(resid   18 and  name HG2* ) 4.5 2.7 0.5
assign (resid   19 and  name HN   )(resid   18 and  name HA   ) 2.9 1.1 0.5
assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 3.1 1.3 0.5
assign (resid   19 and  name HN   )(resid   19 and  name HB*  ) 3.3 1.5 0.5
assign (resid   20 and  name HN   )(resid   19 and  name HA   ) 3.1 1.3 0.5
assign (resid   20 and  name HN   )(resid   19 and  name HB2  ) 4.5 2.7 0.5
assign (resid   20 and  name HN   )(resid   19 and  name HB1  ) 4.5 2.7 0.5
assign (resid   20 and  name HN   )(resid   20 and  name HA   ) 3.3 1.5 0.5
assign (resid   20 and  name HN   )(resid   20 and  name HB*  ) 3.5 1.7 0.5
assign (resid   21 and  name HN   )(resid   20 and  name HA   ) 3.1 1.3 0.5
assign (resid   21 and  name HN   )(resid   20 and  name HB*  ) 4.5 2.7 0.5
assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 4.5 2.7 0.5
assign (resid   21 and  name HN   )(resid   21 and  name HB*  ) 3.5 1.7 0.5
assign (resid   21 and  name HN   )(resid   24 and  name HG2  ) 5.5 3.7 0.5
assign (resid   21 and  name HN   )(resid   24 and  name HG1  ) 5.5 3.7 0.5
assign (resid   22 and  name HN   )(resid   21 and  name HA   ) 3.1 1.3 0.5
assign (resid   22 and  name HN   )(resid   21 and  name HB*  ) 4.5 2.7 0.5
assign (resid   22 and  name HN   )(resid   22 and  name HA2  ) 2.5 0.7 0.5
assign (resid   22 and  name HN   )(resid   22 and  name HA1  ) 2.5 0.7 0.5
assign (resid   23 and  name HN   )(resid   22 and  name HA2  ) 4.5 2.7 0.5
assign (resid   23 and  name HN   )(resid   22 and  name HA1  ) 4.5 2.7 0.5
assign (resid   23 and  name HN   )(resid   23 and  name HA   ) 3.1 1.3 0.5
assign (resid   24 and  name HN   )(resid   23 and  name HA   ) 4.5 2.7 0.5
assign (resid   24 and  name HN   )(resid   24 and  name HA   ) 3.1 1.3 0.5
assign (resid   24 and  name HN   )(resid   24 and  name HB*  ) 4.5 2.7 0.5
assign (resid   24 and  name HN   )(resid   24 and  name HG2  ) 4.5 2.7 0.5
assign (resid   24 and  name HN   )(resid   24 and  name HG1  ) 4.5 2.7 0.5
assign (resid   25 and  name HN   )(resid   24 and  name HA   ) 3.1 1.3 0.5
assign (resid   25 and  name HN   )(resid   24 and  name HG*  ) 4.5 2.7 0.5
assign (resid   25 and  name HN   )(resid   25 and  name HA   ) 4.5 2.7 0.5
assign (resid   25 and  name HN   )(resid   25 and  name HB2  ) 4.5 2.7 0.5
assign (resid   25 and  name HN   )(resid   25 and  name HB1  ) 3.1 1.3 0.5
assign (resid   26 and  name HN   )(resid   25 and  name HA   ) 2.3 0.5 0.5
assign (resid   26 and  name HN   )(resid   25 and  name HB2  ) 4.5 2.7 0.5
assign (resid   26 and  name HN   )(resid   26 and  name HA   ) 4.5 2.7 0.5
assign (resid   26 and  name HN   )(resid   26 and  name HB*  ) 3.1 1.3 0.5
assign (resid   27 and  name HN   )(resid   26 and  name HA   ) 2.3 0.5 0.5
assign (resid   27 and  name HN   )(resid   26 and  name HB*  ) 4.5 2.7 0.5
assign (resid   27 and  name HN   )(resid   27 and  name HA   ) 4.5 2.7 0.5
assign (resid   27 and  name HN   )(resid   27 and  name HB*  ) 4.5 2.7 0.5
assign (resid   27 and  name HN   )(resid   43 and  name HA   ) 4.5 2.7 0.5
assign (resid   28 and  name HN   )(resid   27 and  name HA   ) 2.3 0.5 0.5
assign (resid   28 and  name HN   )(resid   27 and  name HB2  ) 4.5 2.7 0.5
assign (resid   28 and  name HN   )(resid   27 and  name HB1  ) 4.5 2.7 0.5
assign (resid   28 and  name HN   )(resid   28 and  name HA   ) 4.5 2.7 0.5
assign (resid   28 and  name HN   )(resid   28 and  name HB*  ) 3.1 1.3 0.5
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!
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assign (resid   18 and  name HA   )(resid   18 and  name HG2* ) 4.5 2.7 0.5
assign (resid   19 and  name HA   )(resid   19 and  name HB2  ) 3.1 1.3 0.5
assign (resid   19 and  name HA   )(resid   19 and  name HB1  ) 3.1 1.3 0.5
assign (resid   20 and  name HA   )(resid   20 and  name HB*  ) 3.1 1.3 0.5
assign (resid   21 and  name HA   )(resid   21 and  name HB2  ) 4.5 2.7 0.5
assign (resid   21 and  name HA   )(resid   21 and  name HB1  ) 4.5 2.7 0.5
assign (resid   23 and  name HA   )(resid   23 and  name HB2  ) 3.1 1.3 0.5
assign (resid   23 and  name HA   )(resid   23 and  name HB1  ) 3.1 1.3 0.5
assign (resid   23 and  name HA   )(resid   23 and  name HG*  ) 4.0 2.2 0.5
assign (resid   24 and  name HA   )(resid   24 and  name HB*  ) 3.1 1.3 0.5
assign (resid   24 and  name HA   )(resid   24 and  name HG*  ) 4.5 2.7 0.5
assign (resid   25 and  name HA   )(resid   25 and  name HB2  ) 4.5 2.7 0.5
assign (resid   25 and  name HA   )(resid   25 and  name HB1  ) 4.5 2.7 0.5
assign (resid   25 and  name HA   )(resid   25 and  name HD#  ) 4.5 2.7 0.5
assign (resid   26 and  name HA   )(resid   26 and  name HB2  ) 4.5 2.7 0.5
assign (resid   26 and  name HA   )(resid   26 and  name HB1  ) 4.5 2.7 0.5
assign (resid   27 and  name HA   )(resid   27 and  name HB2  ) 3.1 1.3 0.5
assign (resid   27 and  name HA   )(resid   27 and  name HB1  ) 3.1 1.3 0.5
assign (resid   27 and  name HA   )(resid   27 and  name HD#  ) 5.5 3.7 0.5
assign (resid   28 and  name HA   )(resid   28 and  name HB*  ) 3.1 1.3 0.5
assign (resid   28 and  name HA   )(resid   28 and  name HG2  ) 4.5 2.7 0.5
assign (resid   28 and  name HA   )(resid   28 and  name HG1  ) 4.5 2.7 0.5
assign (resid   28 and  name HA   )(resid   41 and  name HG*  ) 5.0 3.2 0.5
assign (resid   29 and  name HA   )(resid   29 and  name HB2  ) 4.5 2.7 0.5
assign (resid   29 and  name HA   )(resid   29 and  name HB1  ) 4.5 2.7 0.5
assign (resid   30 and  name HA   )(resid   30 and  name HB2  ) 4.5 2.7 0.5
assign (resid   30 and  name HA   )(resid   30 and  name HB1  ) 4.5 2.7 0.5
assign (resid   30 and  name HA   )(resid   31 and  name HE3  ) 5.5 3.7 0.5
assign (resid   31 and  name HA   )(resid   31 and  name HB2  ) 4.5 2.7 0.5
assign (resid   31 and  name HA   )(resid   31 and  name HB1  ) 4.5 2.7 0.5
assign (resid   31 and  name HA   )(resid   31 and  name HD1  ) 5.5 3.7 0.5
assign (resid   33 and  name HA   )(resid   33 and  name HB2  ) 4.5 2.7 0.5
assign (resid   33 and  name HA   )(resid   33 and  name HB1  ) 4.5 2.7 0.5
assign (resid   33 and  name HA   )(resid   33 and  name HG*  ) 4.5 2.7 0.5
assign (resid   34 and  name HA   )(resid   34 and  name HB*  ) 3.1 1.3 0.5
assign (resid   35 and  name HA   )(resid   35 and  name HB*  ) 3.1 1.3 0.5
assign (resid   35 and  name HA   )(resid   35 and  name HG*  ) 3.1 1.3 0.5
assign (resid   37 and  name HA   )(resid   37 and  name HB   ) 4.5 2.7 0.5
assign (resid   37 and  name HA   )(resid   37 and  name HG2* ) 4.5 2.7 0.5
assign (resid   38 and  name HA   )(resid   38 and  name HB*  ) 3.1 1.3 0.5
assign (resid   39 and  name HA   )(resid   39 and  name HB   ) 4.0 2.2 0.5
assign (resid   39 and  name HA   )(resid   39 and  name HG2* ) 4.5 2.7 0.5
assign (resid   40 and  name HA   )(resid   40 and  name HB2  ) 3.1 1.3 0.5
assign (resid   40 and  name HA   )(resid   40 and  name HB1  ) 3.1 1.3 0.5
assign (resid   40 and  name HA   )(resid   40 and  name HG2  ) 4.5 2.7 0.5
assign (resid   40 and  name HA   )(resid   40 and  name HG1  ) 4.5 2.7 0.5
assign (resid   41 and  name HA   )(resid   41 and  name HB2  ) 4.5 2.7 0.5
assign (resid   41 and  name HA   )(resid   41 and  name HB1  ) 4.5 2.7 0.5
assign (resid   43 and  name HA   )(resid   43 and  name HB2  ) 4.5 2.7 0.5
assign (resid   43 and  name HA   )(resid   43 and  name HB1  ) 4.5 2.7 0.5
assign (resid   44 and  name HA   )(resid   44 and  name HB*  ) 4.5 2.7 0.5
assign (resid   45 and  name HA   )(resid   45 and  name HB*  ) 3.1 1.3 0.5
assign (resid   46 and  name HA   )(resid   46 and  name HB   ) 3.1 1.3 0.5
assign (resid   46 and  name HA   )(resid   46 and  name HG2* ) 3.1 1.3 0.5
assign (resid   47 and  name HA   )(resid   47 and  name HB2  ) 4.5 2.7 0.5
assign (resid   47 and  name HA   )(resid   47 and  name HB1  ) 4.5 2.7 0.5
assign (resid   47 and  name HA   )(resid   48 and  name HD2  ) 3.1 1.3 0.5
assign (resid   47 and  name HA   )(resid   48 and  name HD1  ) 3.1 1.3 0.5
assign (resid   49 and  name HA   )(resid   49 and  name HB2  ) 4.0 2.2 0.5
assign (resid   49 and  name HA   )(resid   49 and  name HB1  ) 4.0 2.2 0.5
assign (resid   51 and  name HA   )(resid   51 and  name HB2  ) 4.5 2.7 0.5
assign (resid   51 and  name HA   )(resid   51 and  name HB1  ) 4.5 2.7 0.5
assign (resid   52 and  name HA   )(resid   52 and  name HB   ) 3.1 1.3 0.5
assign (resid   52 and  name HA   )(resid   52 and  name HG1* ) 4.5 2.7 0.5
assign (resid   52 and  name HA   )(resid   52 and  name HG2* ) 4.5 2.7 0.5
assign (resid   53 and  name HA   )(resid   53 and  name HB2  ) 4.5 2.7 0.5
assign (resid   53 and  name HA   )(resid   53 and  name HB1  ) 4.5 2.7 0.5
assign (resid   53 and  name HA   )(resid   53 and  name HD#  ) 4.5 2.7 0.5
assign (resid   56 and  name HA   )(resid   56 and  name HB2  ) 4.5 2.7 0.5
assign (resid   56 and  name HA   )(resid   56 and  name HB1  ) 4.5 2.7 0.5
assign (resid   56 and  name HA   )(resid   56 and  name HD#  ) 4.5 2.7 0.5
assign (resid   57 and  name HA   )(resid   57 and  name HB   ) 4.5 2.7 0.5
assign (resid   57 and  name HA   )(resid   57 and  name HG1* ) 4.5 2.7 0.5
assign (resid   57 and  name HA   )(resid   57 and  name HG2* ) 4.5 2.7 0.5
assign (resid   60 and  name HA   )(resid   61 and  name HG2* ) 4.5 2.7 0.5
assign (resid   62 and  name HA   )(resid   62 and  name HB   ) 4.5 2.7 0.5
assign (resid   64 and  name HA   )(resid   64 and  name HB*  ) 3.1 1.3 0.5
assign (resid   65 and  name HA   )(resid   65 and  name HB2  ) 3.1 1.3 0.5
assign (resid   65 and  name HA   )(resid   65 and  name HB1  ) 3.1 1.3 0.5
assign (resid   66 and  name HA   )(resid   66 and  name HB2  ) 3.1 1.3 0.5
assign (resid   66 and  name HA   )(resid   66 and  name HB1  ) 3.1 1.3 0.5
!
assign (resid    3 and  name HB*  )(resid   26 and  name HB*  ) 5.5 3.7 0.5
assign (resid    6 and  name HB*  )(resid   11 and  name HB*  ) 5.0 3.2 0.5
assign (resid   10 and  name HB   )(resid   10 and  name HG2* ) 3.1 1.3 0.5
assign (resid   18 and  name HB   )(resid   18 and  name HG1* ) 4.5 2.7 0.5
assign (resid   18 and  name HB   )(resid   18 and  name HG2* ) 4.5 2.7 0.5
assign (resid   19 and  name HB*  )(resid   43 and  name HB*  ) 5.0 3.2 0.5
assign (resid   25 and  name HB2  )(resid   25 and  name HD#  ) 3.1 1.3 0.5
assign (resid   25 and  name HB1  )(resid   25 and  name HD#  ) 3.1 1.3 0.5
assign (resid   25 and  name HD#  )(resid   59 and  name HB2  ) 4.5 2.7 0.5
assign (resid   25 and  name HD#  )(resid   59 and  name HB1  ) 4.5 2.7 0.5
assign (resid   27 and  name HB2  )(resid   27 and  name HD#  ) 3.1 1.3 0.5
assign (resid   27 and  name HB1  )(resid   27 and  name HD#  ) 3.1 1.3 0.5
assign (resid   30 and  name HB2  )(resid   39 and  name HB   ) 4.5 2.7 0.5
assign (resid   30 and  name HB2  )(resid   39 and  name HD#  ) 4.5 2.7 0.5
assign (resid   30 and  name HB1  )(resid   39 and  name HG1* ) 4.5 2.7 0.5
assign (resid   30 and  name HB2  )(resid   56 and  name HD#  ) 4.5 2.7 0.5
assign (resid   30 and  name HB1  )(resid   56 and  name HD#  ) 4.5 2.7 0.5
assign (resid   31 and  name HB2  )(resid   31 and  name HD1  ) 4.5 2.7 0.5
assign (resid   31 and  name HB2  )(resid   31 and  name HE3  ) 5.5 3.7 0.5
assign (resid   31 and  name HB1  )(resid   31 and  name HD1  ) 4.5 2.7 0.5
assign (resid   31 and  name HB1  )(resid   31 and  name HE3  ) 5.5 3.7 0.5
assign (resid   37 and  name HB   )(resid   37 and  name HG2* ) 3.1 1.3 0.5
assign (resid   46 and  name HB   )(resid   46 and  name HG2* ) 3.1 1.3 0.5
assign (resid   47 and  name HB*  )(resid   59 and  name HB*  ) 5.0 3.2 0.5
assign (resid   52 and  name HB   )(resid   52 and  name HG1* ) 4.5 2.7 0.5
assign (resid   52 and  name HB   )(resid   52 and  name HG2* ) 4.5 2.7 0.5
assign (resid   53 and  name HB2  )(resid   53 and  name HD#  ) 4.5 2.7 0.5
assign (resid   53 and  name HB1  )(resid   53 and  name HD#  ) 4.5 2.7 0.5
assign (resid   56 and  name HB2  )(resid   56 and  name HD#  ) 3.1 1.3 0.5
assign (resid   56 and  name HB1  )(resid   56 and  name HD#  ) 3.1 1.3 0.5
assign (resid   57 and  name HB   )(resid   57 and  name HG1* ) 3.1 1.3 0.5
assign (resid   57 and  name HB   )(resid   57 and  name HG2* ) 3.1 1.3 0.5
assign (resid   60 and  name HB*  )(resid   65 and  name HB*  ) 4.5 2.7 0.5
assign (resid   62 and  name HB   )(resid   62 and  name HG2* ) 3.1 1.3 0.5
!
assign (resid   42 and  name HN   )(resid    5 and  name HA   ) 6.5 4.7 0.5
assign (resid   42 and  name HN   )(resid    5 and  name HG1* ) 6.5 4.7 0.5
assign (resid    1 and  name HE*  )(resid   61 and  name HA   ) 5.5 3.7 0.5
assign (resid   43 and  name HA   )(resid    3 and  name HB1  ) 6.5 4.7 0.5
assign (resid   43 and  name HA   )(resid    3 and  name HB2  ) 6.5 4.7 0.5
assign (resid    5 and  name HG1* )(resid   42 and  name HA1  ) 6.0 3.7 0.5
assign (resid    5 and  name HG1* )(resid   42 and  name HA2  ) 6.0 3.7 0.5
assign (resid    9 and  name HA   )(resid   39 and  name HD1* ) 5.5 3.7 0.5
assign (resid    9 and  name HA   )(resid   39 and  name HD2* ) 5.5 3.7 0.5
assign (resid    7 and  name HA   )(resid   39 and  name HD#  ) 5.0 3.2 0.5
!
!restraints dihedral
!
  !! 9
 assign (resid   8 and name c )   (resid   9 and name n )
        (resid   9 and name ca)   (resid   9 and name c )  1.0   90.0 40.0 2
  !!8
 assign (resid   8 and name n )   (resid   8 and name ca) 
        (resid   8 and name c )   (resid   9 and name n )  1.0  120.0 60.0 2
  !! 9
 assign (resid   9 and name n )   (resid   9 and name ca) 
        (resid   9 and name c )   (resid   10 and name n )  1.0   0.0  40.0 2
!
 assign (resid   12 and name c )   (resid   13 and name n )
        (resid   13 and name ca)   (resid   13 and name c )  1.0  -60.0 40.0 2
  !! 14
 assign (resid   14 and name n )   (resid   14 and name ca) 
        (resid   14 and name c )   (resid   15 and name n )  1.0   0.0  40.0 2
!
  !! 35
 assign (resid   34 and name c )   (resid   35 and name n )
        (resid   35 and name ca)   (resid   35 and name c )  1.0  -90.0 40.0 2
  !! 35
 assign (resid   35 and name n )   (resid   35 and name ca)
        (resid   35 and name c )   (resid   36 and name n )  1.0   0.0  40.0 2
!
  !! 64
 assign (resid   64 and name n )   (resid   64 and name ca) 
        (resid   64 and name c )   (resid   65 and name n )  1.0  -30.0 40.0 2
  !! 65
 assign (resid   65 and name n )   (resid   65 and name ca) 
        (resid   65 and name c )   (resid   66 and name n )  1.0   0.0  40.0 2
!
  !!    2
 assign (resid   1 and name c )   (resid   2 and name n ) 
        (resid   2 and name ca)   (resid   2 and name c )  1.0 -120.0 40.0 2
  !!    3 
 assign (resid   2 and name c )   (resid   3 and name n ) 
        (resid   3 and name ca)   (resid   3 and name c )  1.0 -120.0 40.0 2
  !!    4 
 assign (resid   3 and name c )   (resid   4 and name n ) 
        (resid   4 and name ca)   (resid   4 and name c )  1.0 -120.0 40.0 2
  !!    5 
 assign (resid   4 and name c )   (resid   5 and name n ) 
        (resid   5 and name ca)   (resid   5 and name c )  1.0 -120.0 40.0 2
  !!    15
 assign (resid   14 and name c )  (resid   15 and name n ) 
        (resid   15 and name ca)  (resid   15 and name c )  1.0 -120.0 40.0 2
  !!    16 
 assign (resid   15 and name c )  (resid   16 and name n ) 
        (resid   16 and name ca)  (resid   16 and name c )  1.0 -120.0 40.0 2
  !!    17 
 assign (resid   16 and name c )   (resid   17 and name n ) 
        (resid   17 and name ca)   (resid   17 and name c )  1.0 -120.0 40.0 2
  !!    18
 assign (resid   17 and name c )   (resid   18 and name n ) 
        (resid   18 and name ca)   (resid   18 and name c )  1.0 -120.0 40.0 2
  !!    24 
 assign (resid   23 and name c )   (resid   24 and name n ) 
        (resid   24 and name ca)   (resid   24 and name c )  1.0 -120.0 40.0 2
  !!    25 
 assign (resid   24 and name c )   (resid   25 and name n ) 
        (resid   25 and name ca)   (resid   25 and name c )  1.0 -120.0 40.0 2
  !!    26 
 assign (resid   25 and name c )   (resid   26 and name n ) 
        (resid   26 and name ca)   (resid   26 and name c )  1.0 -120.0 60.0 2
  !!    27 
 assign (resid   26 and name c )   (resid   27 and name n ) 
        (resid   27 and name ca)   (resid   27 and name c )  1.0 -120.0 45.0 2 
  !!    28 
 assign (resid   27 and name c )   (resid   28 and name n ) 
        (resid   28 and name ca)   (resid   28 and name c )  1.0 -120.0 40.0 2
  !!    29
 assign (resid   28 and name c )   (resid   29 and name n ) 
        (resid   29 and name ca)   (resid   29 and name c )  1.0 -120.0 40.0 2
  !!    30
 assign (resid   29 and name c )   (resid   30 and name n ) 
        (resid   30 and name ca)   (resid   30 and name c )  1.0 -120.0 40.0 2
  !!    31 
 assign (resid   30 and name c )   (resid   31 and name n ) 
        (resid   31 and name ca)   (resid   31 and name c )  1.0 -120.0 40.0 2
  !!    32 
 assign (resid   31 and name c )   (resid   32 and name n ) 
        (resid   32 and name ca)   (resid   32 and name c )  1.0 -120.0 40.0 2
  !!    37
 assign (resid   36 and name c )   (resid   37 and name n ) 
        (resid   37 and name ca)   (resid   37 and name c )  1.0 -120.0 40.0 2
  !!    38
 assign (resid   37 and name c )   (resid   38 and name n ) 
        (resid   38 and name ca)   (resid   38 and name c )  1.0 -120.0 40.0 2
  !!    39 
 assign (resid   38 and name c )   (resid   39 and name n ) 
        (resid   39 and name ca)   (resid   39 and name c )  1.0 -120.0 40.0 2
  !!    40 
 assign (resid   39 and name c )   (resid   40 and name n ) 
        (resid   40 and name ca)   (resid   40 and name c )  1.0 -120.0 40.0 2
  !!    43 
 assign (resid   42 and name c )   (resid   43 and name n ) 
        (resid   43 and name ca)   (resid   43 and name c )  1.0 -120.0 40.0 2
  !!    44 
 assign (resid   43 and name c )   (resid   44 and name n ) 
        (resid   44 and name ca)   (resid   44 and name c )  1.0 -120.0 40.0 2
  !!    55 
 assign (resid   54 and name c )   (resid   55 and name n ) 
        (resid   55 and name ca)   (resid   55 and name c )  1.0 -120.0 40.0 2
  !!    56 
 assign (resid   55 and name c )   (resid   56 and name n ) 
        (resid   56 and name ca)   (resid   56 and name c )  1.0 -120.0 40.0 2
  !!    57
 assign (resid   56 and name c )   (resid   57 and name n )
        (resid   57 and name ca)   (resid   57 and name c )  1.0 -120.0 60.0 2
  !!    58
 assign (resid   57 and name c )   (resid   58 and name n )
        (resid   58 and name ca)   (resid   58 and name c )  1.0 -120.0 40.0 2
  !!    59
 assign (resid   58 and name c )   (resid   59 and name n )
        (resid   59 and name ca)   (resid   59 and name c )  1.0 -120.0 40.0 2
  !!    60
 assign (resid   59 and name c )   (resid   60 and name n )
        (resid   60 and name ca)   (resid   60 and name c )  1.0 -120.0 40.0 2
  !!    61
 assign (resid   60 and name c )   (resid   61 and name n )
        (resid   61 and name ca)   (resid   61 and name c )  1.0 -120.0 40.0 2





  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1  11.745  13.276  -2.869
    2   2H    MET   1          2H        MET   1  12.563  11.810  -2.611
    3   3H    MET   1          3H        MET   1  12.579  13.017  -1.416
    4    HA   MET   1           HA       MET   1  11.007  11.498  -0.620
    5   1HB   MET   1          2HB       MET   1   9.564  13.610  -2.255
    6   2HB   MET   1          1HB       MET   1   8.976  12.853  -0.774
    7   1HG   MET   1          2HG       MET   1  11.349  13.740   0.126
    8   2HG   MET   1          1HG       MET   1  11.066  14.941  -1.134
    9   1HE   MET   1          1HE       MET   1   8.048  13.148   0.953
   10   2HE   MET   1          2HE       MET   1   8.473  13.924   2.476
   11   3HE   MET   1          3HE       MET   1   9.665  12.933   1.637
   12    H    LYS   2           H        LYS   2  11.297   9.516  -1.910
   13    HA   LYS   2           HA       LYS   2   9.250   9.213  -4.087
   14   1HB   LYS   2          2HB       LYS   2  11.847   7.705  -3.643
   15   2HB   LYS   2          1HB       LYS   2  10.802   7.603  -5.061
   16   1HG   LYS   2          2HG       LYS   2  11.557   9.576  -5.923
   17   2HG   LYS   2          1HG       LYS   2  11.680  10.336  -4.336
   18   1HD   LYS   2          2HD       LYS   2  13.925  10.122  -4.779
   19   2HD   LYS   2          1HD       LYS   2  13.648   8.529  -4.073
   20   1HE   LYS   2          2HE       LYS   2  13.737   7.450  -6.134
   21   2HE   LYS   2          1HE       LYS   2  13.204   8.891  -7.024
   22   1HZ   LYS   2          1HZ       LYS   2  15.655   8.352  -7.167
   23   2HZ   LYS   2          2HZ       LYS   2  15.761   8.801  -5.531
   24   3HZ   LYS   2          3HZ       LYS   2  15.268   9.935  -6.696
   25    H    CYS   3           H        CYS   3   8.762   6.680  -4.297
   26    HA   CYS   3           HA       CYS   3   8.623   5.364  -1.632
   27   1HB   CYS   3          2HB       CYS   3   6.644   6.903  -1.997
   28   2HB   CYS   3          1HB       CYS   3   6.192   5.889  -3.368
   29    H    LYS   4           H        LYS   4   9.077   3.215  -1.931
   30    HA   LYS   4           HA       LYS   4   9.146   2.090  -4.652
   31   1HB   LYS   4          2HB       LYS   4  10.890   1.777  -2.845
   32   2HB   LYS   4          1HB       LYS   4   9.711   0.810  -1.959
   33   1HG   LYS   4          2HG       LYS   4   9.666  -0.873  -3.620
   34   2HG   LYS   4          1HG       LYS   4  10.419   0.176  -4.823
   35   1HD   LYS   4          2HD       LYS   4  12.430  -0.629  -4.222
   36   2HD   LYS   4          1HD       LYS   4  12.198   0.058  -2.615
   37   1HE   LYS   4          2HE       LYS   4  11.587  -1.962  -1.694
   38   2HE   LYS   4          1HE       LYS   4  10.788  -2.511  -3.181
   39   1HZ   LYS   4          1HZ       LYS   4  13.724  -2.160  -2.903
   40   2HZ   LYS   4          2HZ       LYS   4  12.896  -2.834  -4.224
   41   3HZ   LYS   4          3HZ       LYS   4  12.933  -3.651  -2.735
   42    H    ILE   5           H        ILE   5   7.456   0.936  -5.507
   43    HA   ILE   5           HA       ILE   5   5.302   0.004  -3.649
   44    HB   ILE   5           HB       ILE   5   5.421   0.811  -6.562
   45   1HG1  ILE   5          2HG1      ILE   5   3.633   1.790  -4.321
   46   2HG1  ILE   5          1HG1      ILE   5   5.204   2.514  -4.670
   47   1HG2  ILE   5          1HG2      ILE   5   3.114  -0.458  -5.054
   48   2HG2  ILE   5          2HG2      ILE   5   4.000  -1.187  -6.393
   49   3HG2  ILE   5          3HG2      ILE   5   3.007   0.245  -6.667
   50   1HD1  ILE   5          1HD1      ILE   5   2.941   3.406  -5.809
   51   2HD1  ILE   5          2HD1      ILE   5   3.347   2.142  -6.971
   52   3HD1  ILE   5          3HD1      ILE   5   4.492   3.444  -6.649
   53    H    CYS   6           H        CYS   6   5.019  -2.179  -3.431
   54    HA   CYS   6           HA       CYS   6   5.656  -4.035  -5.623
   55   1HB   CYS   6          2HB       CYS   6   7.759  -3.315  -4.172
   56   2HB   CYS   6          1HB       CYS   6   7.101  -4.489  -3.032
   57    H    ASN   7           H        ASN   7   4.796  -6.174  -5.181
   58    HA   ASN   7           HA       ASN   7   2.637  -6.163  -3.158
   59   1HB   ASN   7          2HB       ASN   7   2.568  -6.903  -5.653
   60   2HB   ASN   7          1HB       ASN   7   3.347  -8.378  -5.080
   61   1HD2  ASN   7          1HD2      ASN   7   0.398  -7.498  -5.963
   62   2HD2  ASN   7          2HD2      ASN   7  -0.559  -8.282  -4.800
   63    H    PHE   8           H        PHE   8   3.125  -6.914  -1.132
   64    HA   PHE   8           HA       PHE   8   5.482  -8.351  -0.416
   65   1HB   PHE   8          2HB       PHE   8   3.094  -7.283   0.770
   66   2HB   PHE   8          1HB       PHE   8   3.353  -8.910   1.400
   67    HD1  PHE   8           HD1      PHE   8   5.944  -6.507   0.226
   68    HD2  PHE   8           HD2      PHE   8   4.146  -8.470   3.598
   69    HE1  PHE   8           HE1      PHE   8   7.757  -5.655   1.689
   70    HE2  PHE   8           HE2      PHE   8   5.959  -7.619   5.060
   71    HZ   PHE   8           HZ       PHE   8   7.764  -6.211   4.107
   72    H    ASP   9           H        ASP   9   5.726 -10.610   0.136
   73    HA   ASP   9           HA       ASP   9   5.341 -12.933  -0.113
   74   1HB   ASP   9          2HB       ASP   9   3.030 -11.799   0.766
   75   2HB   ASP   9          1HB       ASP   9   2.478 -12.479  -0.765
   76    H    THR  10           H        THR  10   5.335 -10.766  -2.494
   77    HA   THR  10           HA       THR  10   5.653 -12.618  -4.638
   78    HB   THR  10           HB       THR  10   3.313 -13.084  -4.393
   79    HG1  THR  10           HG1      THR  10   3.466 -12.894  -6.495
   80   1HG2  THR  10          1HG2      THR  10   3.165 -10.137  -3.933
   81   2HG2  THR  10          2HG2      THR  10   2.364 -11.449  -3.069
   82   3HG2  THR  10          3HG2      THR  10   1.762 -10.935  -4.645
   83    H    CYS  11           H        CYS  11   7.023 -10.316  -3.793
   84    HA   CYS  11           HA       CYS  11   6.424  -7.837  -4.925
   85   1HB   CYS  11          2HB       CYS  11   8.659  -9.256  -3.866
   86   2HB   CYS  11          1HB       CYS  11   9.195  -8.459  -5.345
   87    H    ARG  12           H        ARG  12   5.317  -8.154  -6.963
   88    HA   ARG  12           HA       ARG  12   6.968  -9.258  -9.196
   89   1HB   ARG  12          2HB       ARG  12   4.027  -8.761  -8.709
   90   2HB   ARG  12          1HB       ARG  12   4.641  -9.097 -10.328
   91   1HG   ARG  12          2HG       ARG  12   5.799 -11.146  -9.231
   92   2HG   ARG  12          1HG       ARG  12   4.673 -10.882  -7.900
   93   1HD   ARG  12          2HD       ARG  12   3.915 -11.347 -10.808
   94   2HD   ARG  12          1HD       ARG  12   3.673 -12.479  -9.462
   95    HE   ARG  12           HE       ARG  12   2.517  -9.946  -8.784
   96   1HH1  ARG  12          2HH1      ARG  12   1.982 -13.024 -10.150
   97   2HH1  ARG  12          1HH1      ARG  12   0.319 -12.732 -10.533
   98   1HH2  ARG  12          1HH2      ARG  12   0.406  -9.402  -9.571
   99   2HH2  ARG  12          2HH2      ARG  12  -0.574 -10.682 -10.205
  100    H    ALA  13           H        ALA  13   5.791  -6.325  -7.847
  101    HA   ALA  13           HA       ALA  13   6.112  -4.836 -10.411
  102   1HB   ALA  13          1HB       ALA  13   5.356  -3.448  -7.909
  103   2HB   ALA  13          2HB       ALA  13   4.259  -4.737  -8.401
  104   3HB   ALA  13          3HB       ALA  13   4.590  -3.395  -9.496
  105    H    GLY  14           H        GLY  14   6.973  -4.181  -6.993
  106   1HA   GLY  14          2HA       GLY  14   8.866  -3.125  -6.089
  107   2HA   GLY  14          1HA       GLY  14   9.769  -4.035  -7.302
  108    H    GLU  15           H        GLU  15   7.305  -1.551  -7.895
  109    HA   GLU  15           HA       GLU  15   9.355  -0.023  -9.442
  110   1HB   GLU  15          2HB       GLU  15   6.335  -0.229  -9.473
  111   2HB   GLU  15          1HB       GLU  15   7.198   1.011 -10.384
  112   1HG   GLU  15          2HG       GLU  15   8.596  -0.946 -11.341
  113   2HG   GLU  15          1HG       GLU  15   7.308  -1.983 -10.727
  114    H    LEU  16           H        LEU  16  10.139   1.790  -8.455
  115    HA   LEU  16           HA       LEU  16   8.591   3.005  -6.217
  116   1HB   LEU  16          2HB       LEU  16  10.869   2.413  -5.724
  117   2HB   LEU  16          1HB       LEU  16  11.450   3.173  -7.206
  118    HG   LEU  16           HG       LEU  16   9.924   4.902  -5.323
  119   1HD1  LEU  16          1HD1      LEU  16  11.632   3.390  -4.028
  120   2HD1  LEU  16          2HD1      LEU  16  11.630   5.129  -3.736
  121   3HD1  LEU  16          3HD1      LEU  16  12.845   4.414  -4.797
  122   1HD2  LEU  16          1HD2      LEU  16  12.237   6.177  -6.083
  123   2HD2  LEU  16          2HD2      LEU  16  10.717   6.253  -6.975
  124   3HD2  LEU  16          3HD2      LEU  16  11.961   5.096  -7.449
  125    H    LYS  17           H        LYS  17   8.104   5.262  -6.233
  126    HA   LYS  17           HA       LYS  17   8.696   6.808  -8.700
  127   1HB   LYS  17          2HB       LYS  17   6.186   7.344  -8.775
  128   2HB   LYS  17          1HB       LYS  17   6.640   5.712  -9.263
  129   1HG   LYS  17          2HG       LYS  17   5.715   4.746  -7.398
  130   2HG   LYS  17          1HG       LYS  17   6.084   6.131  -6.370
  131   1HD   LYS  17          2HD       LYS  17   3.684   6.046  -6.654
  132   2HD   LYS  17          1HD       LYS  17   4.289   7.415  -7.588
  133   1HE   LYS  17          2HE       LYS  17   3.803   6.421  -9.613
  134   2HE   LYS  17          1HE       LYS  17   4.120   4.786  -9.000
  135   1HZ   LYS  17          1HZ       LYS  17   1.720   5.272  -9.333
  136   2HZ   LYS  17          2HZ       LYS  17   1.832   6.470  -8.133
  137   3HZ   LYS  17          3HZ       LYS  17   2.111   4.840  -7.740
  138    H    VAL  18           H        VAL  18   6.902   8.930  -8.100
  139    HA   VAL  18           HA       VAL  18   7.907   9.838  -5.425
  140    HB   VAL  18           HB       VAL  18   7.903  12.113  -6.630
  141   1HG1  VAL  18          1HG1      VAL  18   9.903  10.686  -8.139
  142   2HG1  VAL  18          2HG1      VAL  18   9.791  10.005  -6.516
  143   3HG1  VAL  18          3HG1      VAL  18  10.120  11.724  -6.731
  144   1HG2  VAL  18          1HG2      VAL  18   7.735  12.174  -8.970
  145   2HG2  VAL  18          2HG2      VAL  18   6.493  10.998  -8.541
  146   3HG2  VAL  18          3HG2      VAL  18   8.060  10.448  -9.132
  147    H    CYS  19           H        CYS  19   6.429  11.050  -4.176
  148    HA   CYS  19           HA       CYS  19   3.851  11.921  -5.252
  149   1HB   CYS  19          2HB       CYS  19   4.235   9.242  -4.318
  150   2HB   CYS  19          1HB       CYS  19   3.185  10.075  -3.172
  151    H    ALA  20           H        ALA  20   5.592  10.982  -2.267
  152    HA   ALA  20           HA       ALA  20   4.190  12.734  -0.491
  153   1HB   ALA  20          1HB       ALA  20   7.096  11.955  -0.247
  154   2HB   ALA  20          2HB       ALA  20   5.822  10.744  -0.101
  155   3HB   ALA  20          3HB       ALA  20   5.887  12.095   1.030
  156    H    SER  21           H        SER  21   4.081  14.736  -1.844
  157    HA   SER  21           HA       SER  21   6.660  16.213  -2.102
  158   1HB   SER  21          2HB       SER  21   4.865  15.848  -3.948
  159   2HB   SER  21          1HB       SER  21   3.934  17.066  -3.081
  160    HG   SER  21           HG       SER  21   6.634  17.445  -3.846
  161    H    GLY  22           H        GLY  22   3.937  15.984  -0.047
  162   1HA   GLY  22          2HA       GLY  22   4.828  17.959   1.773
  163   2HA   GLY  22          1HA       GLY  22   3.617  18.718   0.739
  164    H    GLU  23           H        GLU  23   1.468  17.661   0.645
  165    HA   GLU  23           HA       GLU  23   0.788  16.438   3.284
  166   1HB   GLU  23          2HB       GLU  23  -0.556  18.158   1.237
  167   2HB   GLU  23          1HB       GLU  23  -1.574  17.112   2.227
  168   1HG   GLU  23          2HG       GLU  23   0.420  18.432   3.864
  169   2HG   GLU  23          1HG       GLU  23  -0.524  19.616   2.960
  170    H    LYS  24           H        LYS  24   1.976  14.786   1.221
  171    HA   LYS  24           HA       LYS  24  -0.335  12.961   0.664
  172   1HB   LYS  24          2HB       LYS  24   1.703  14.195  -1.126
  173   2HB   LYS  24          1HB       LYS  24   1.288  12.511  -1.447
  174   1HG   LYS  24          2HG       LYS  24  -0.941  13.008  -1.922
  175   2HG   LYS  24          1HG       LYS  24  -0.908  14.508  -0.994
  176   1HD   LYS  24          2HD       LYS  24   1.030  14.567  -3.163
  177   2HD   LYS  24          1HD       LYS  24  -0.601  14.267  -3.766
  178   1HE   LYS  24          2HE       LYS  24  -0.642  16.318  -1.707
  179   2HE   LYS  24          1HE       LYS  24   0.454  16.764  -3.029
  180   1HZ   LYS  24          1HZ       LYS  24  -1.388  15.898  -4.540
  181   2HZ   LYS  24          2HZ       LYS  24  -1.640  17.405  -3.797
  182   3HZ   LYS  24          3HZ       LYS  24  -2.403  16.015  -3.186
  183    H    TYR  25           H        TYR  25   0.152  10.756   0.951
  184    HA   TYR  25           HA       TYR  25   2.977  10.040   1.632
  185   1HB   TYR  25          2HB       TYR  25   2.054   8.816   3.605
  186   2HB   TYR  25          1HB       TYR  25   1.752  10.551   3.697
  187    HD1  TYR  25           HD1      TYR  25  -0.427  11.313   4.075
  188    HD2  TYR  25           HD2      TYR  25   0.179   7.396   2.422
  189    HE1  TYR  25           HE1      TYR  25  -2.867  10.884   4.197
  190    HE2  TYR  25           HE2      TYR  25  -2.260   6.966   2.545
  191    HH   TYR  25           HH       TYR  25  -4.359   8.795   4.354
  192    H    CYS  26           H        CYS  26   3.072   7.508   1.855
  193    HA   CYS  26           HA       CYS  26   1.734   6.377  -0.536
  194   1HB   CYS  26          2HB       CYS  26   4.207   6.096   0.866
  195   2HB   CYS  26          1HB       CYS  26   3.410   4.524   0.863
  196    H    PHE  27           H        PHE  27   0.180   4.741  -0.417
  197    HA   PHE  27           HA       PHE  27  -0.655   3.906   2.342
  198   1HB   PHE  27          2HB       PHE  27  -2.239   5.408   1.236
  199   2HB   PHE  27          1HB       PHE  27  -2.254   4.375  -0.194
  200    HD1  PHE  27           HD1      PHE  27  -2.165   3.217   3.335
  201    HD2  PHE  27           HD2      PHE  27  -4.553   3.699  -0.203
  202    HE1  PHE  27           HE1      PHE  27  -3.951   1.830   4.352
  203    HE2  PHE  27           HE2      PHE  27  -6.340   2.312   0.814
  204    HZ   PHE  27           HZ       PHE  27  -6.038   1.377   3.092
  205    H    LYS  28           H        LYS  28  -0.245   1.772   2.676
  206    HA   LYS  28           HA       LYS  28  -0.369  -0.094   0.328
  207   1HB   LYS  28          2HB       LYS  28   1.460   0.267   2.658
  208   2HB   LYS  28          1HB       LYS  28   1.150  -1.391   2.143
  209   1HG   LYS  28          2HG       LYS  28   2.936  -0.881   0.762
  210   2HG   LYS  28          1HG       LYS  28   1.603  -0.357  -0.266
  211   1HD   LYS  28          2HD       LYS  28   2.747   1.610  -0.347
  212   2HD   LYS  28          1HD       LYS  28   2.013   1.889   1.233
  213   1HE   LYS  28          2HE       LYS  28   4.249   2.214   1.787
  214   2HE   LYS  28          1HE       LYS  28   4.151   0.459   2.032
  215   1HZ   LYS  28          1HZ       LYS  28   4.711   0.214  -0.365
  216   2HZ   LYS  28          2HZ       LYS  28   5.967   0.876   0.567
  217   3HZ   LYS  28          3HZ       LYS  28   5.022   1.880  -0.426
  218    H    GLU  29           H        GLU  29  -2.058  -1.533   0.477
  219    HA   GLU  29           HA       GLU  29  -3.009  -2.306   3.213
  220   1HB   GLU  29          2HB       GLU  29  -5.326  -2.189   2.166
  221   2HB   GLU  29          1HB       GLU  29  -4.516  -0.634   2.357
  222   1HG   GLU  29          2HG       GLU  29  -4.306  -0.322   0.110
  223   2HG   GLU  29          1HG       GLU  29  -3.956  -2.024  -0.191
  224    H    SER  30           H        SER  30  -4.660  -4.245   2.873
  225    HA   SER  30           HA       SER  30  -3.772  -6.051   0.675
  226   1HB   SER  30          2HB       SER  30  -2.264  -6.502   2.513
  227   2HB   SER  30          1HB       SER  30  -3.598  -6.538   3.663
  228    HG   SER  30           HG       SER  30  -3.382  -8.622   3.226
  229    H    TRP  31           H        TRP  31  -5.725  -6.555  -0.255
  230    HA   TRP  31           HA       TRP  31  -8.210  -6.614   1.302
  231   1HB   TRP  31          2HB       TRP  31  -7.505  -6.049  -1.273
  232   2HB   TRP  31          1HB       TRP  31  -8.097  -7.701  -1.452
  233    HD1  TRP  31           HD1      TRP  31 -10.648  -8.167  -0.968
  234    HE1  TRP  31           HE1      TRP  31 -12.690  -6.610  -0.745
  235    HE3  TRP  31           HE3      TRP  31  -8.278  -3.675  -0.450
  236    HZ2  TRP  31           HZ2      TRP  31 -13.245  -3.826  -0.392
  237    HZ3  TRP  31           HZ3      TRP  31  -9.584  -1.589  -0.172
  238    HH2  TRP  31           HH2      TRP  31 -12.063  -1.657  -0.142
  239    H    ARG  32           H        ARG  32  -9.345  -8.475   1.911
  240    HA   ARG  32           HA       ARG  32  -7.853 -11.048   1.692
  241   1HB   ARG  32          2HB       ARG  32  -9.351  -9.656   3.691
  242   2HB   ARG  32          1HB       ARG  32 -10.189 -11.171   3.345
  243   1HG   ARG  32          2HG       ARG  32  -7.903 -12.308   3.540
  244   2HG   ARG  32          1HG       ARG  32  -7.324 -10.794   4.234
  245   1HD   ARG  32          2HD       ARG  32  -7.985 -12.183   6.092
  246   2HD   ARG  32          1HD       ARG  32  -9.277 -10.982   5.897
  247    HE   ARG  32           HE       ARG  32 -10.211 -12.918   4.280
  248   1HH1  ARG  32          1HH2      ARG  32  -8.427 -14.972   5.456
  249   2HH1  ARG  32          2HH2      ARG  32  -9.377 -15.601   6.761
  250   1HH2  ARG  32          2HH1      ARG  32 -11.578 -12.922   6.799
  251   2HH2  ARG  32          1HH1      ARG  32 -11.160 -14.439   7.521
  252    H    GLU  33           H        GLU  33  -9.181 -13.018   1.252
  253    HA   GLU  33           HA       GLU  33 -11.715 -12.530  -0.239
  254   1HB   GLU  33          2HB       GLU  33  -9.972 -12.372  -1.908
  255   2HB   GLU  33          1HB       GLU  33  -9.176 -13.816  -1.285
  256   1HG   GLU  33          2HG       GLU  33 -11.335 -15.072  -1.827
  257   2HG   GLU  33          1HG       GLU  33 -11.828 -13.637  -2.727
  258    H    ALA  34           H        ALA  34  -9.497 -15.309  -0.045
  259    HA   ALA  34           HA       ALA  34 -10.720 -16.802   2.005
  260   1HB   ALA  34          1HB       ALA  34 -12.161 -16.727  -0.618
  261   2HB   ALA  34          2HB       ALA  34 -12.820 -16.822   1.015
  262   3HB   ALA  34          3HB       ALA  34 -12.130 -18.258   0.258
  263    H    ARG  35           H        ARG  35  -9.232 -16.771  -1.174
  264    HA   ARG  35           HA       ARG  35  -7.858 -19.358  -0.511
  265   1HB   ARG  35          2HB       ARG  35  -9.197 -18.268  -2.924
  266   2HB   ARG  35          1HB       ARG  35  -7.683 -19.125  -3.219
  267   1HG   ARG  35          2HG       ARG  35  -8.784 -21.074  -3.008
  268   2HG   ARG  35          1HG       ARG  35  -9.124 -20.665  -1.326
  269   1HD   ARG  35          2HD       ARG  35 -11.320 -20.576  -1.893
  270   2HD   ARG  35          1HD       ARG  35 -10.941 -19.132  -2.853
  271    HE   ARG  35           HE       ARG  35 -10.199 -20.956  -4.627
  272   1HH1  ARG  35          2HH1      ARG  35 -11.629 -22.958  -2.707
  273   2HH1  ARG  35          1HH1      ARG  35 -13.121 -23.170  -3.560
  274   1HH2  ARG  35          1HH2      ARG  35 -12.645 -20.416  -5.613
  275   2HH2  ARG  35          2HH2      ARG  35 -13.696 -21.731  -5.207
  276    H    GLY  36           H        GLY  36  -7.371 -16.098  -0.621
  277   1HA   GLY  36          2HA       GLY  36  -4.604 -16.100  -0.383
  278   2HA   GLY  36          1HA       GLY  36  -4.887 -15.964  -2.119
  279    H    THR  37           H        THR  37  -4.015 -14.047   0.219
  280    HA   THR  37           HA       THR  37  -6.029 -11.898  -0.056
  281    HB   THR  37           HB       THR  37  -4.670 -10.824   1.638
  282    HG1  THR  37           HG1      THR  37  -2.627 -11.505   2.079
  283   1HG2  THR  37          1HG2      THR  37  -5.628 -13.509   1.871
  284   2HG2  THR  37          2HG2      THR  37  -5.519 -12.275   3.126
  285   3HG2  THR  37          3HG2      THR  37  -4.158 -13.358   2.834
  286    H    ARG  38           H        ARG  38  -5.431  -9.780  -0.914
  287    HA   ARG  38           HA       ARG  38  -3.134  -9.872  -2.846
  288   1HB   ARG  38          2HB       ARG  38  -6.012  -9.223  -3.080
  289   2HB   ARG  38          1HB       ARG  38  -4.931  -8.094  -3.899
  290   1HG   ARG  38          2HG       ARG  38  -4.347 -10.989  -4.260
  291   2HG   ARG  38          1HG       ARG  38  -5.794 -10.371  -5.058
  292   1HD   ARG  38          2HD       ARG  38  -4.586  -8.971  -6.465
  293   2HD   ARG  38          1HD       ARG  38  -3.251  -8.794  -5.309
  294    HE   ARG  38           HE       ARG  38  -3.067 -11.433  -5.845
  295   1HH1  ARG  38          2HH1      ARG  38  -2.342  -8.634  -7.512
  296   2HH1  ARG  38          1HH1      ARG  38  -2.137  -9.386  -9.058
  297   1HH2  ARG  38          1HH2      ARG  38  -3.348 -12.465  -8.017
  298   2HH2  ARG  38          2HH2      ARG  38  -2.705 -11.557  -9.344
  299    H    ILE  39           H        ILE  39  -1.598  -8.395  -2.241
  300    HA   ILE  39           HA       ILE  39  -2.280  -6.173  -0.431
  301    HB   ILE  39           HB       ILE  39   0.208  -7.365  -1.649
  302   1HG1  ILE  39          2HG1      ILE  39   0.048  -6.825   1.232
  303   2HG1  ILE  39          1HG1      ILE  39  -1.244  -7.876   0.652
  304   1HG2  ILE  39          1HG2      ILE  39   0.783  -5.069  -1.718
  305   2HG2  ILE  39          2HG2      ILE  39   1.407  -5.616  -0.162
  306   3HG2  ILE  39          3HG2      ILE  39  -0.107  -4.715  -0.237
  307   1HD1  ILE  39          1HD1      ILE  39   0.214  -9.589   0.624
  308   2HD1  ILE  39          2HD1      ILE  39   1.535  -8.509   1.071
  309   3HD1  ILE  39          3HD1      ILE  39   1.127  -8.747  -0.628
  310    H    GLU  40           H        GLU  40  -2.711  -4.121  -1.134
  311    HA   GLU  40           HA       GLU  40  -2.105  -3.458  -3.996
  312   1HB   GLU  40          2HB       GLU  40  -4.449  -3.361  -2.363
  313   2HB   GLU  40          1HB       GLU  40  -4.008  -1.702  -2.768
  314   1HG   GLU  40          2HG       GLU  40  -4.639  -1.969  -4.916
  315   2HG   GLU  40          1HG       GLU  40  -3.725  -3.471  -5.063
  316    H    ARG  41           H        ARG  41  -1.152  -1.408  -4.426
  317    HA   ARG  41           HA       ARG  41  -0.104   0.044  -2.015
  318   1HB   ARG  41          2HB       ARG  41   1.170  -0.214  -4.755
  319   2HB   ARG  41          1HB       ARG  41   1.928   0.374  -3.275
  320   1HG   ARG  41          2HG       ARG  41   2.465  -1.718  -2.638
  321   2HG   ARG  41          1HG       ARG  41   0.803  -2.266  -2.863
  322   1HD   ARG  41          2HD       ARG  41   1.909  -1.856  -5.462
  323   2HD   ARG  41          1HD       ARG  41   3.069  -2.819  -4.527
  324    HE   ARG  41           HE       ARG  41   0.675  -3.981  -3.862
  325   1HH1  ARG  41          1HH2      ARG  41   2.351  -3.241  -6.785
  326   2HH1  ARG  41          2HH2      ARG  41   1.519  -4.438  -7.719
  327   1HH2  ARG  41          2HH1      ARG  41  -0.491  -5.479  -5.093
  328   2HH2  ARG  41          1HH1      ARG  41  -0.088  -5.705  -6.762
  329    H    GLY  42           H        GLY  42   0.952   2.242  -3.393
  330   1HA   GLY  42          2HA       GLY  42   0.012   3.768  -5.249
  331   2HA   GLY  42          1HA       GLY  42  -1.538   3.517  -4.446
  332    H    CYS  43           H        CYS  43   0.193   5.988  -4.829
  333    HA   CYS  43           HA       CYS  43   0.575   6.712  -1.947
  334   1HB   CYS  43          2HB       CYS  43   2.056   8.480  -2.929
  335   2HB   CYS  43          1HB       CYS  43   2.571   6.846  -3.349
  336    H    ALA  44           H        ALA  44  -0.848   8.185  -1.105
  337    HA   ALA  44           HA       ALA  44  -2.040  10.284  -2.789
  338   1HB   ALA  44          1HB       ALA  44  -4.310   9.478  -2.549
  339   2HB   ALA  44          2HB       ALA  44  -3.788   8.190  -1.463
  340   3HB   ALA  44          3HB       ALA  44  -3.342   8.140  -3.169
  341    H    ALA  45           H        ALA  45  -4.328  10.353  -0.787
  342    HA   ALA  45           HA       ALA  45  -2.842  11.159   1.680
  343   1HB   ALA  45          1HB       ALA  45  -4.004  12.839  -0.336
  344   2HB   ALA  45          2HB       ALA  45  -3.200  13.327   1.155
  345   3HB   ALA  45          3HB       ALA  45  -4.937  13.025   1.149
  346    H    THR  46           H        THR  46  -5.057   9.146   0.521
  347    HA   THR  46           HA       THR  46  -6.969   9.527   2.802
  348    HB   THR  46           HB       THR  46  -8.572   8.357   1.285
  349    HG1  THR  46           HG1      THR  46  -6.522   7.503   0.115
  350   1HG2  THR  46          1HG2      THR  46  -9.093  10.282   0.130
  351   2HG2  THR  46          2HG2      THR  46  -7.426  10.552  -0.379
  352   3HG2  THR  46          3HG2      THR  46  -7.920  10.947   1.268
  353    H    CYS  47           H        CYS  47  -6.711   7.974   4.352
  354    HA   CYS  47           HA       CYS  47  -5.656   5.289   3.515
  355   1HB   CYS  47          2HB       CYS  47  -5.099   7.179   5.747
  356   2HB   CYS  47          1HB       CYS  47  -5.097   5.465   6.159
  357    HA   PRO  48           HA       PRO  48  -9.915   4.723   5.213
  358   1HB   PRO  48          2HB       PRO  48 -10.693   2.888   3.337
  359   2HB   PRO  48          1HB       PRO  48 -10.836   4.641   3.094
  360   1HG   PRO  48          2HG       PRO  48  -8.792   2.746   2.056
  361   2HG   PRO  48          1HG       PRO  48  -9.537   4.147   1.271
  362   1HD   PRO  48          2HD       PRO  48  -7.030   4.170   2.366
  363   2HD   PRO  48          1HD       PRO  48  -8.048   5.616   2.189
  364    H    LYS  49           H        LYS  49 -10.909   2.564   5.929
  365    HA   LYS  49           HA       LYS  49  -8.743   0.565   6.509
  366   1HB   LYS  49          2HB       LYS  49 -10.419   2.184   8.184
  367   2HB   LYS  49          1HB       LYS  49 -10.846   0.491   8.439
  368   1HG   LYS  49          2HG       LYS  49  -8.068   0.450   8.331
  369   2HG   LYS  49          1HG       LYS  49  -8.427   1.928   9.225
  370   1HD   LYS  49          2HD       LYS  49  -9.438   0.795  10.969
  371   2HD   LYS  49          1HD       LYS  49  -9.946  -0.546   9.940
  372   1HE   LYS  49          2HE       LYS  49  -7.632  -1.366   9.816
  373   2HE   LYS  49          1HE       LYS  49  -7.082   0.005  10.799
  374   1HZ   LYS  49          1HZ       LYS  49  -7.647  -2.152  12.017
  375   2HZ   LYS  49          2HZ       LYS  49  -9.271  -1.763  11.706
  376   3HZ   LYS  49          3HZ       LYS  49  -8.305  -0.715  12.630
  377    H    GLY  50           H        GLY  50 -10.619  -1.242   7.782
  378   1HA   GLY  50          2HA       GLY  50 -12.688  -1.883   5.804
  379   2HA   GLY  50          1HA       GLY  50 -11.339  -3.019   5.839
  380    H    SER  51           H        SER  51 -13.306  -4.432   6.496
  381    HA   SER  51           HA       SER  51 -13.067  -5.268   9.176
  382   1HB   SER  51          2HB       SER  51 -15.442  -4.228   9.828
  383   2HB   SER  51          1HB       SER  51 -13.951  -3.322  10.073
  384    HG   SER  51           HG       SER  51 -15.442  -2.056   8.955
  385    H    VAL  52           H        VAL  52 -15.749  -4.601   6.886
  386    HA   VAL  52           HA       VAL  52 -17.234  -6.977   7.406
  387    HB   VAL  52           HB       VAL  52 -16.927  -5.191   4.974
  388   1HG1  VAL  52          1HG1      VAL  52 -19.119  -6.161   4.267
  389   2HG1  VAL  52          2HG1      VAL  52 -18.980  -7.344   5.567
  390   3HG1  VAL  52          3HG1      VAL  52 -17.812  -7.344   4.246
  391   1HG2  VAL  52          1HG2      VAL  52 -18.106  -3.779   6.286
  392   2HG2  VAL  52          2HG2      VAL  52 -18.329  -5.019   7.520
  393   3HG2  VAL  52          3HG2      VAL  52 -19.451  -4.912   6.164
  394    H    TYR  53           H        TYR  53 -14.309  -6.442   5.597
  395    HA   TYR  53           HA       TYR  53 -14.482  -9.211   4.459
  396   1HB   TYR  53          2HB       TYR  53 -13.254  -6.606   3.599
  397   2HB   TYR  53          1HB       TYR  53 -12.565  -8.118   3.007
  398    HD1  TYR  53           HD1      TYR  53 -16.014  -6.751   3.613
  399    HD2  TYR  53           HD2      TYR  53 -13.352  -8.786   0.926
  400    HE1  TYR  53           HE1      TYR  53 -17.838  -6.931   1.943
  401    HE2  TYR  53           HE2      TYR  53 -15.176  -8.966  -0.744
  402    HH   TYR  53           HH       TYR  53 -17.332  -8.620  -1.155
  403    H    GLY  54           H        GLY  54 -12.103  -6.857   5.755
  404   1HA   GLY  54          2HA       GLY  54 -10.712  -7.578   7.696
  405   2HA   GLY  54          1HA       GLY  54 -10.651  -9.180   6.959
  406    H    LEU  55           H        LEU  55 -10.205  -5.977   5.453
  407    HA   LEU  55           HA       LEU  55  -7.751  -6.957   4.142
  408   1HB   LEU  55          2HB       LEU  55  -7.973  -4.904   2.871
  409   2HB   LEU  55          1HB       LEU  55  -9.586  -5.595   3.054
  410    HG   LEU  55           HG       LEU  55  -9.537  -4.086   5.274
  411   1HD1  LEU  55          1HD1      LEU  55  -7.500  -2.990   5.186
  412   2HD1  LEU  55          2HD1      LEU  55  -8.494  -1.844   4.286
  413   3HD1  LEU  55          3HD1      LEU  55  -7.461  -2.983   3.423
  414   1HD2  LEU  55          1HD2      LEU  55 -10.056  -2.821   2.573
  415   2HD2  LEU  55          2HD2      LEU  55 -10.905  -2.526   4.090
  416   3HD2  LEU  55          3HD2      LEU  55 -11.113  -4.061   3.249
  417    H    TYR  56           H        TYR  56  -5.723  -5.685   4.290
  418    HA   TYR  56           HA       TYR  56  -5.328  -4.593   7.043
  419   1HB   TYR  56          2HB       TYR  56  -4.034  -6.557   5.820
  420   2HB   TYR  56          1HB       TYR  56  -3.133  -5.224   5.097
  421    HD1  TYR  56           HD1      TYR  56  -3.397  -7.359   7.922
  422    HD2  TYR  56           HD2      TYR  56  -2.292  -3.373   6.765
  423    HE1  TYR  56           HE1      TYR  56  -2.075  -7.120  10.006
  424    HE2  TYR  56           HE2      TYR  56  -0.970  -3.134   8.850
  425    HH   TYR  56           HH       TYR  56  -0.266  -5.818  10.895
  426    H    VAL  57           H        VAL  57  -4.454  -2.505   7.325
  427    HA   VAL  57           HA       VAL  57  -4.050  -0.877   4.841
  428    HB   VAL  57           HB       VAL  57  -5.135   0.950   6.256
  429   1HG1  VAL  57          1HG1      VAL  57  -6.814   0.373   4.863
  430   2HG1  VAL  57          2HG1      VAL  57  -7.403  -0.693   6.138
  431   3HG1  VAL  57          3HG1      VAL  57  -6.327  -1.322   4.891
  432   1HG2  VAL  57          1HG2      VAL  57  -4.798  -0.879   8.285
  433   2HG2  VAL  57          2HG2      VAL  57  -6.504  -1.080   7.887
  434   3HG2  VAL  57          3HG2      VAL  57  -5.888   0.505   8.352
  435    H    LEU  58           H        LEU  58  -2.177   0.340   4.873
  436    HA   LEU  58           HA       LEU  58  -0.913   1.083   7.441
  437   1HB   LEU  58          2HB       LEU  58  -0.271  -1.315   6.664
  438   2HB   LEU  58          1HB       LEU  58   0.666  -0.499   5.412
  439    HG   LEU  58           HG       LEU  58   0.956   0.330   8.289
  440   1HD1  LEU  58          1HD1      LEU  58   1.483  -1.909   8.619
  441   2HD1  LEU  58          2HD1      LEU  58   3.048  -1.284   8.099
  442   3HD1  LEU  58          3HD1      LEU  58   2.014  -2.137   6.953
  443   1HD2  LEU  58          1HD2      LEU  58   2.749   0.355   5.840
  444   2HD2  LEU  58          2HD2      LEU  58   3.252   0.888   7.445
  445   3HD2  LEU  58          3HD2      LEU  58   1.972   1.750   6.590
  446    H    CYS  59           H        CYS  59  -0.489   3.222   7.065
  447    HA   CYS  59           HA       CYS  59   0.205   4.116   4.308
  448   1HB   CYS  59          2HB       CYS  59  -0.241   5.851   6.742
  449   2HB   CYS  59          1HB       CYS  59  -0.537   6.243   5.051
  450    H    CYS  60           H        CYS  60   2.035   5.756   4.157
  451    HA   CYS  60           HA       CYS  60   4.050   5.607   6.330
  452   1HB   CYS  60          2HB       CYS  60   4.022   3.898   4.031
  453   2HB   CYS  60          1HB       CYS  60   5.373   4.998   3.880
  454    H    THR  61           H        THR  61   5.798   7.155   6.007
  455    HA   THR  61           HA       THR  61   5.638   9.007   3.736
  456    HB   THR  61           HB       THR  61   3.936   9.736   5.428
  457    HG1  THR  61           HG1      THR  61   5.579  11.153   4.143
  458   1HG2  THR  61          1HG2      THR  61   6.290  10.380   7.203
  459   2HG2  THR  61          2HG2      THR  61   5.404   8.862   7.355
  460   3HG2  THR  61          3HG2      THR  61   4.574  10.397   7.611
  461    H    THR  62           H        THR  62   7.562  10.355   3.599
  462    HA   THR  62           HA       THR  62   9.803  10.982   4.050
  463    HB   THR  62           HB       THR  62   9.695   9.425   6.611
  464    HG1  THR  62           HG1      THR  62   8.173  10.647   7.411
  465   1HG2  THR  62          1HG2      THR  62  10.669  12.201   5.879
  466   2HG2  THR  62          2HG2      THR  62  11.684  10.765   6.009
  467   3HG2  THR  62          3HG2      THR  62  10.882  11.411   7.441
  468    H    ASP  63           H        ASP  63  11.593  10.018   3.200
  469    HA   ASP  63           HA       ASP  63  12.922   8.295   2.258
  470   1HB   ASP  63          2HB       ASP  63  13.340   8.506   4.804
  471   2HB   ASP  63          1HB       ASP  63  12.436   6.998   4.939
  472    H    ASP  64           H        ASP  64  11.777   7.195   0.638
  473    HA   ASP  64           HA       ASP  64  10.593   5.377  -0.333
  474   1HB   ASP  64          2HB       ASP  64  11.847   4.479   2.167
  475   2HB   ASP  64          1HB       ASP  64  10.464   3.490   1.694
  476    H    CYS  65           H        CYS  65   9.521   5.008   3.090
  477    HA   CYS  65           HA       CYS  65   6.864   4.463   2.712
  478   1HB   CYS  65          2HB       CYS  65   8.525   5.910   4.721
  479   2HB   CYS  65          1HB       CYS  65   6.778   6.040   4.891
  480    H    ASN  66           HN       ASN  66   8.466   7.518   2.078
  481    HA   ASN  66           HA       ASN  66   6.619   9.518   2.251
  482   1HB   ASN  66          2HB       ASN  66   8.643   8.680   0.237
  483   2HB   ASN  66          1HB       ASN  66   7.537   9.964  -0.253
  484   1HD2  ASN  66          1HD2      ASN  66  10.520   9.991   0.578
  485   2HD2  ASN  66          2HD2      ASN  66  10.596  11.205   1.762
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1  13.951  10.721  -0.333
    2   2H    MET   1          2H        MET   1  13.836  12.406  -0.152
    3   3H    MET   1          3H        MET   1  13.720  11.705  -1.694
    4    HA   MET   1           HA       MET   1  11.777  10.980   0.412
    5   1HB   MET   1          2HB       MET   1  12.316  13.579  -0.735
    6   2HB   MET   1          1HB       MET   1  10.726  13.017  -1.253
    7   1HG   MET   1          2HG       MET   1  10.939  12.345   1.484
    8   2HG   MET   1          1HG       MET   1  11.537  13.999   1.336
    9   1HE   MET   1          1HE       MET   1   8.278  13.251   2.812
   10   2HE   MET   1          2HE       MET   1   8.368  14.998   2.602
   11   3HE   MET   1          3HE       MET   1   9.823  14.090   3.002
   12    H    LYS   2           H        LYS   2  11.476   8.975  -0.694
   13    HA   LYS   2           HA       LYS   2  10.212   9.240  -3.400
   14   1HB   LYS   2          2HB       LYS   2  12.489   7.516  -2.447
   15   2HB   LYS   2          1HB       LYS   2  11.470   6.965  -3.778
   16   1HG   LYS   2          2HG       LYS   2  12.105   8.733  -5.172
   17   2HG   LYS   2          1HG       LYS   2  12.608   9.747  -3.819
   18   1HD   LYS   2          2HD       LYS   2  14.130   7.282  -3.861
   19   2HD   LYS   2          1HD       LYS   2  14.262   8.119  -5.407
   20   1HE   LYS   2          2HE       LYS   2  15.798   9.471  -4.424
   21   2HE   LYS   2          1HE       LYS   2  14.472  10.145  -3.456
   22   1HZ   LYS   2          1HZ       LYS   2  16.408   9.030  -2.221
   23   2HZ   LYS   2          2HZ       LYS   2  15.719   7.566  -2.738
   24   3HZ   LYS   2          3HZ       LYS   2  14.828   8.627  -1.754
   25    H    CYS   3           H        CYS   3   9.661   6.508  -3.746
   26    HA   CYS   3           HA       CYS   3   8.362   5.445  -1.332
   27   1HB   CYS   3          2HB       CYS   3   6.941   7.349  -2.350
   28   2HB   CYS   3          1HB       CYS   3   6.629   6.234  -3.681
   29    H    LYS   4           H        LYS   4   8.698   3.268  -1.549
   30    HA   LYS   4           HA       LYS   4   9.286   2.068  -4.152
   31   1HB   LYS   4          2HB       LYS   4   9.595   0.050  -2.753
   32   2HB   LYS   4          1HB       LYS   4  10.413   1.441  -2.041
   33   1HG   LYS   4          2HG       LYS   4   9.247   1.085  -0.149
   34   2HG   LYS   4          1HG       LYS   4   7.778   1.502  -1.032
   35   1HD   LYS   4          2HD       LYS   4   7.304  -0.755  -1.547
   36   2HD   LYS   4          1HD       LYS   4   8.950  -1.273  -1.182
   37   1HE   LYS   4          2HE       LYS   4   8.606  -0.861   1.201
   38   2HE   LYS   4          1HE       LYS   4   6.989  -0.201   0.880
   39   1HZ   LYS   4          1HZ       LYS   4   6.740  -2.452  -0.410
   40   2HZ   LYS   4          2HZ       LYS   4   6.462  -2.378   1.265
   41   3HZ   LYS   4          3HZ       LYS   4   7.940  -2.970   0.671
   42    H    ILE   5           H        ILE   5   7.747   1.247  -5.511
   43    HA   ILE   5           HA       ILE   5   5.022   0.698  -4.400
   44    HB   ILE   5           HB       ILE   5   5.919   1.094  -7.270
   45   1HG1  ILE   5          2HG1      ILE   5   4.602   3.183  -5.534
   46   2HG1  ILE   5          1HG1      ILE   5   6.358   3.033  -5.603
   47   1HG2  ILE   5          1HG2      ILE   5   3.271   0.952  -5.842
   48   2HG2  ILE   5          2HG2      ILE   5   3.783   0.113  -7.306
   49   3HG2  ILE   5          3HG2      ILE   5   3.421   1.838  -7.359
   50   1HD1  ILE   5          1HD1      ILE   5   4.444   3.902  -7.726
   51   2HD1  ILE   5          2HD1      ILE   5   5.884   3.015  -8.230
   52   3HD1  ILE   5          3HD1      ILE   5   6.048   4.527  -7.336
   53    H    CYS   6           H        CYS   6   4.254  -1.386  -4.455
   54    HA   CYS   6           HA       CYS   6   5.106  -3.367  -6.397
   55   1HB   CYS   6          2HB       CYS   6   6.441  -4.734  -4.880
   56   2HB   CYS   6          1HB       CYS   6   7.109  -3.104  -4.899
   57    H    ASN   7           H        ASN   7   3.417  -4.815  -6.518
   58    HA   ASN   7           HA       ASN   7   1.857  -5.423  -4.049
   59   1HB   ASN   7          2HB       ASN   7  -0.226  -4.943  -5.367
   60   2HB   ASN   7          1HB       ASN   7   0.782  -3.517  -5.129
   61   1HD2  ASN   7          1HD2      ASN   7   2.002  -2.703  -6.989
   62   2HD2  ASN   7          2HD2      ASN   7   1.614  -3.185  -8.570
   63    H    PHE   8           H        PHE   8  -0.216  -6.757  -5.640
   64    HA   PHE   8           HA       PHE   8  -0.633  -8.798  -6.770
   65   1HB   PHE   8          2HB       PHE   8   1.597  -7.662  -7.973
   66   2HB   PHE   8          1HB       PHE   8   2.163  -9.272  -7.529
   67    HD1  PHE   8           HD1      PHE   8   0.225 -11.165  -7.931
   68    HD2  PHE   8           HD2      PHE   8   0.664  -7.478 -10.092
   69    HE1  PHE   8           HE1      PHE   8  -1.027 -12.135  -9.841
   70    HE2  PHE   8           HE2      PHE   8  -0.588  -8.448 -12.001
   71    HZ   PHE   8           HZ       PHE   8  -1.433 -10.776 -11.875
   72    H    ASP   9           H        ASP   9  -0.482  -9.084  -4.138
   73    HA   ASP   9           HA       ASP   9  -0.165 -10.782  -2.517
   74   1HB   ASP   9          2HB       ASP   9   0.076 -12.000  -4.949
   75   2HB   ASP   9          1HB       ASP   9   1.654 -12.350  -4.242
   76    H    THR  10           H        THR  10   2.797  -9.986  -4.398
   77    HA   THR  10           HA       THR  10   4.247  -9.773  -1.795
   78    HB   THR  10           HB       THR  10   6.170 -10.762  -3.050
   79    HG1  THR  10           HG1      THR  10   4.193 -11.044  -5.054
   80   1HG2  THR  10          1HG2      THR  10   5.196 -12.477  -1.893
   81   2HG2  THR  10          2HG2      THR  10   4.794 -13.030  -3.520
   82   3HG2  THR  10          3HG2      THR  10   3.598 -12.153  -2.564
   83    H    CYS  11           H        CYS  11   6.601  -9.141  -3.782
   84    HA   CYS  11           HA       CYS  11   5.763  -6.465  -4.750
   85   1HB   CYS  11          2HB       CYS  11   7.631  -7.093  -2.478
   86   2HB   CYS  11          1HB       CYS  11   7.906  -5.648  -3.450
   87    H    ARG  12           H        ARG  12   6.428  -8.517  -6.432
   88    HA   ARG  12           HA       ARG  12   9.240  -8.765  -7.004
   89   1HB   ARG  12          2HB       ARG  12   8.463 -10.000  -8.890
   90   2HB   ARG  12          1HB       ARG  12   7.261 -10.272  -7.628
   91   1HG   ARG  12          2HG       ARG  12   5.963  -8.328  -8.585
   92   2HG   ARG  12          1HG       ARG  12   7.087  -8.338  -9.942
   93   1HD   ARG  12          2HD       ARG  12   6.221 -11.031  -9.545
   94   2HD   ARG  12          1HD       ARG  12   4.779  -9.996  -9.572
   95    HE   ARG  12           HE       ARG  12   6.408  -9.034 -11.632
   96   1HH1  ARG  12          2HH1      ARG  12   4.016 -11.318 -11.033
   97   2HH1  ARG  12          1HH1      ARG  12   4.212 -12.171 -12.528
   98   1HH2  ARG  12          1HH2      ARG  12   7.061 -10.426 -13.457
   99   2HH2  ARG  12          2HH2      ARG  12   5.936 -11.667 -13.900
  100    H    ALA  13           H        ALA  13   6.779  -6.480  -7.930
  101    HA   ALA  13           HA       ALA  13   8.036  -5.329 -10.229
  102   1HB   ALA  13          1HB       ALA  13   5.900  -4.721  -8.286
  103   2HB   ALA  13          2HB       ALA  13   5.901  -4.545 -10.041
  104   3HB   ALA  13          3HB       ALA  13   6.624  -3.296  -9.028
  105    H    GLY  14           H        GLY  14   8.062  -4.233  -6.810
  106   1HA   GLY  14          2HA       GLY  14   9.578  -2.841  -5.680
  107   2HA   GLY  14          1HA       GLY  14  10.807  -3.600  -6.692
  108    H    GLU  15           H        GLU  15   8.074  -1.592  -7.756
  109    HA   GLU  15           HA       GLU  15   9.960   0.108  -9.274
  110   1HB   GLU  15          2HB       GLU  15   7.342  -0.886  -9.572
  111   2HB   GLU  15          1HB       GLU  15   7.157   0.855  -9.362
  112   1HG   GLU  15          2HG       GLU  15   7.989   1.270 -11.414
  113   2HG   GLU  15          1HG       GLU  15   9.389   0.239 -11.119
  114    H    LEU  16           H        LEU  16  10.950   1.395  -7.615
  115    HA   LEU  16           HA       LEU  16   9.197   2.947  -5.797
  116   1HB   LEU  16          2HB       LEU  16  11.139   2.004  -4.793
  117   2HB   LEU  16          1HB       LEU  16  12.168   2.505  -6.135
  118    HG   LEU  16           HG       LEU  16  10.803   4.779  -4.939
  119   1HD1  LEU  16          1HD1      LEU  16  12.883   3.803  -3.085
  120   2HD1  LEU  16          2HD1      LEU  16  11.380   2.882  -3.049
  121   3HD1  LEU  16          3HD1      LEU  16  11.358   4.618  -2.738
  122   1HD2  LEU  16          1HD2      LEU  16  13.048   5.697  -4.965
  123   2HD2  LEU  16          2HD2      LEU  16  12.814   4.783  -6.455
  124   3HD2  LEU  16          3HD2      LEU  16  13.750   4.087  -5.132
  125    H    LYS  17           H        LYS  17   8.733   5.097  -6.127
  126    HA   LYS  17           HA       LYS  17  10.342   6.637  -8.113
  127   1HB   LYS  17          2HB       LYS  17   7.322   6.318  -8.051
  128   2HB   LYS  17          1HB       LYS  17   8.203   7.386  -9.143
  129   1HG   LYS  17          2HG       LYS  17   9.490   4.949  -9.469
  130   2HG   LYS  17          1HG       LYS  17   7.794   4.491  -9.306
  131   1HD   LYS  17          2HD       LYS  17   7.966   6.815 -10.984
  132   2HD   LYS  17          1HD       LYS  17   9.085   5.590 -11.588
  133   1HE   LYS  17          2HE       LYS  17   6.425   4.559 -10.773
  134   2HE   LYS  17          1HE       LYS  17   6.434   5.601 -12.209
  135   1HZ   LYS  17          1HZ       LYS  17   8.337   4.287 -13.039
  136   2HZ   LYS  17          2HZ       LYS  17   6.920   3.363 -12.886
  137   3HZ   LYS  17          3HZ       LYS  17   8.155   3.226 -11.729
  138    H    VAL  18           H        VAL  18   8.396   8.847  -7.978
  139    HA   VAL  18           HA       VAL  18   8.679   9.630  -5.099
  140    HB   VAL  18           HB       VAL  18   9.186  11.921  -6.119
  141   1HG1  VAL  18          1HG1      VAL  18  11.500  11.430  -6.272
  142   2HG1  VAL  18          2HG1      VAL  18  11.197   9.812  -6.904
  143   3HG1  VAL  18          3HG1      VAL  18  10.859  10.176  -5.211
  144   1HG2  VAL  18          1HG2      VAL  18   9.815  12.030  -8.420
  145   2HG2  VAL  18          2HG2      VAL  18   8.273  11.175  -8.389
  146   3HG2  VAL  18          3HG2      VAL  18   9.777  10.275  -8.584
  147    H    CYS  19           H        CYS  19   6.708  10.157  -4.272
  148    HA   CYS  19           HA       CYS  19   4.759  11.655  -5.932
  149   1HB   CYS  19          2HB       CYS  19   3.004   9.955  -5.380
  150   2HB   CYS  19          1HB       CYS  19   4.293   9.297  -6.386
  151    H    ALA  20           H        ALA  20   5.573  10.192  -2.793
  152    HA   ALA  20           HA       ALA  20   3.619  11.719  -1.280
  153   1HB   ALA  20          1HB       ALA  20   5.800  10.875   0.336
  154   2HB   ALA  20          2HB       ALA  20   5.590   9.649  -0.916
  155   3HB   ALA  20          3HB       ALA  20   4.241  10.074   0.137
  156    H    SER  21           H        SER  21   4.294  13.862  -2.353
  157    HA   SER  21           HA       SER  21   6.851  15.019  -1.468
  158   1HB   SER  21          2HB       SER  21   4.613  15.622  -3.299
  159   2HB   SER  21          1HB       SER  21   5.343  17.041  -2.552
  160    HG   SER  21           HG       SER  21   6.251  15.837  -4.607
  161    H    GLY  22           H        GLY  22   3.373  15.603  -0.853
  162   1HA   GLY  22          2HA       GLY  22   3.941  16.410   1.894
  163   2HA   GLY  22          1HA       GLY  22   3.441  17.755   0.867
  164    H    GLU  23           H        GLU  23   1.425  17.062  -0.581
  165    HA   GLU  23           HA       GLU  23  -0.718  16.424   1.299
  166   1HB   GLU  23          2HB       GLU  23  -2.121  16.943  -0.641
  167   2HB   GLU  23          1HB       GLU  23  -0.815  18.124  -0.536
  168   1HG   GLU  23          2HG       GLU  23   0.468  16.912  -2.226
  169   2HG   GLU  23          1HG       GLU  23  -0.764  15.650  -2.288
  170    H    LYS  24           H        LYS  24   1.206  14.652  -0.991
  171    HA   LYS  24           HA       LYS  24  -0.734  12.435  -1.229
  172   1HB   LYS  24          2HB       LYS  24   2.005  13.118  -2.295
  173   2HB   LYS  24          1HB       LYS  24   1.336  11.500  -2.509
  174   1HG   LYS  24          2HG       LYS  24  -0.451  12.273  -3.825
  175   2HG   LYS  24          1HG       LYS  24  -0.281  13.931  -3.245
  176   1HD   LYS  24          2HD       LYS  24   1.593  14.347  -4.588
  177   2HD   LYS  24          1HD       LYS  24   1.966  12.632  -4.765
  178   1HE   LYS  24          2HE       LYS  24  -0.685  13.174  -5.802
  179   2HE   LYS  24          1HE       LYS  24   0.515  14.223  -6.583
  180   1HZ   LYS  24          1HZ       LYS  24   0.882  11.307  -6.164
  181   2HZ   LYS  24          2HZ       LYS  24   1.891  12.348  -7.050
  182   3HZ   LYS  24          3HZ       LYS  24   0.331  11.986  -7.618
  183    H    TYR  25           H        TYR  25  -0.265  10.293  -0.412
  184    HA   TYR  25           HA       TYR  25   1.923  10.117   1.623
  185   1HB   TYR  25          2HB       TYR  25  -0.869  10.427   2.076
  186   2HB   TYR  25          1HB       TYR  25  -0.460   8.767   2.507
  187    HD1  TYR  25           HD1      TYR  25   0.647   8.290   4.533
  188    HD2  TYR  25           HD2      TYR  25   0.603  12.309   3.022
  189    HE1  TYR  25           HE1      TYR  25   1.678   9.094   6.641
  190    HE2  TYR  25           HE2      TYR  25   1.635  13.115   5.129
  191    HH   TYR  25           HH       TYR  25   3.152  11.982   6.980
  192    H    CYS  26           H        CYS  26   3.020   8.185   1.414
  193    HA   CYS  26           HA       CYS  26   2.383   6.262  -0.615
  194   1HB   CYS  26          2HB       CYS  26   4.130   6.266   1.862
  195   2HB   CYS  26          1HB       CYS  26   4.103   4.909   0.736
  196    H    PHE  27           H        PHE  27   0.391   5.208  -0.456
  197    HA   PHE  27           HA       PHE  27  -0.375   4.113   2.216
  198   1HB   PHE  27          2HB       PHE  27  -2.614   4.304   1.448
  199   2HB   PHE  27          1HB       PHE  27  -1.807   5.749   0.840
  200    HD1  PHE  27           HD1      PHE  27  -3.198   2.453  -0.058
  201    HD2  PHE  27           HD2      PHE  27  -1.314   6.022  -1.529
  202    HE1  PHE  27           HE1      PHE  27  -3.789   1.808  -2.380
  203    HE2  PHE  27           HE2      PHE  27  -1.903   5.376  -3.851
  204    HZ   PHE  27           HZ       PHE  27  -3.141   3.270  -4.276
  205    H    LYS  28           H        LYS  28  -1.038   1.948   2.402
  206    HA   LYS  28           HA       LYS  28  -0.508   0.152   0.064
  207   1HB   LYS  28          2HB       LYS  28   1.427   0.025   1.475
  208   2HB   LYS  28          1HB       LYS  28   0.443   0.016   2.938
  209   1HG   LYS  28          2HG       LYS  28  -0.560  -2.181   2.043
  210   2HG   LYS  28          1HG       LYS  28   0.792  -2.194   0.911
  211   1HD   LYS  28          2HD       LYS  28   1.936  -1.606   3.407
  212   2HD   LYS  28          1HD       LYS  28   0.762  -2.883   3.729
  213   1HE   LYS  28          2HE       LYS  28   1.756  -4.211   1.848
  214   2HE   LYS  28          1HE       LYS  28   3.007  -2.964   1.682
  215   1HZ   LYS  28          1HZ       LYS  28   3.400  -4.965   3.273
  216   2HZ   LYS  28          2HZ       LYS  28   2.415  -4.079   4.337
  217   3HZ   LYS  28          3HZ       LYS  28   3.861  -3.405   3.753
  218    H    GLU  29           H        GLU  29  -2.402  -0.958  -0.331
  219    HA   GLU  29           HA       GLU  29  -4.228  -1.462   1.996
  220   1HB   GLU  29          2HB       GLU  29  -5.223   0.080   0.481
  221   2HB   GLU  29          1HB       GLU  29  -4.682  -0.838  -0.925
  222   1HG   GLU  29          2HG       GLU  29  -6.482  -2.201  -0.849
  223   2HG   GLU  29          1HG       GLU  29  -6.311  -2.448   0.890
  224    H    SER  30           H        SER  30  -4.831  -3.555   2.373
  225    HA   SER  30           HA       SER  30  -4.309  -5.614   0.263
  226   1HB   SER  30          2HB       SER  30  -3.321  -5.402   3.095
  227   2HB   SER  30          1HB       SER  30  -3.590  -6.997   2.399
  228    HG   SER  30           HG       SER  30  -1.813  -4.957   1.605
  229    H    TRP  31           H        TRP  31  -5.854  -7.305   0.281
  230    HA   TRP  31           HA       TRP  31  -8.023  -7.080   2.339
  231   1HB   TRP  31          2HB       TRP  31  -8.970  -6.074   0.461
  232   2HB   TRP  31          1HB       TRP  31  -8.052  -7.074  -0.661
  233    HD1  TRP  31           HD1      TRP  31 -10.559  -7.957   2.169
  234    HE1  TRP  31           HE1      TRP  31 -12.292  -9.602   1.198
  235    HE3  TRP  31           HE3      TRP  31  -8.895  -8.241  -2.645
  236    HZ2  TRP  31           HZ2      TRP  31 -12.893 -10.871  -1.299
  237    HZ3  TRP  31           HZ3      TRP  31 -10.062  -9.671  -4.300
  238    HH2  TRP  31           HH2      TRP  31 -12.056 -10.986  -3.634
  239    H    ARG  32           H        ARG  32  -8.989  -9.064   2.937
  240    HA   ARG  32           HA       ARG  32  -7.348 -11.459   2.524
  241   1HB   ARG  32          2HB       ARG  32  -8.707 -10.493   4.596
  242   2HB   ARG  32          1HB       ARG  32 -10.022 -11.427   3.881
  243   1HG   ARG  32          2HG       ARG  32  -8.628 -13.451   3.922
  244   2HG   ARG  32          1HG       ARG  32  -7.288 -12.526   4.601
  245   1HD   ARG  32          2HD       ARG  32  -8.473 -12.131   6.649
  246   2HD   ARG  32          1HD       ARG  32  -9.999 -12.712   5.953
  247    HE   ARG  32           HE       ARG  32  -8.866 -14.967   5.742
  248   1HH1  ARG  32          1HH2      ARG  32  -9.314 -14.060   8.654
  249   2HH1  ARG  32          2HH2      ARG  32  -7.805 -14.526   9.365
  250   1HH2  ARG  32          2HH1      ARG  32  -6.192 -14.928   6.321
  251   2HH2  ARG  32          1HH1      ARG  32  -6.036 -15.016   8.043
  252    H    GLU  33           H        GLU  33  -8.035 -13.356   1.436
  253    HA   GLU  33           HA       GLU  33 -10.593 -13.165  -0.116
  254   1HB   GLU  33          2HB       GLU  33  -7.927 -12.953  -1.055
  255   2HB   GLU  33          1HB       GLU  33  -8.502 -14.545  -1.555
  256   1HG   GLU  33          2HG       GLU  33 -10.613 -13.373  -2.388
  257   2HG   GLU  33          1HG       GLU  33  -9.745 -11.855  -2.157
  258    H    ALA  34           H        ALA  34 -10.557 -15.586  -1.365
  259    HA   ALA  34           HA       ALA  34 -10.718 -17.486   0.915
  260   1HB   ALA  34          1HB       ALA  34 -11.920 -18.834  -0.898
  261   2HB   ALA  34          2HB       ALA  34 -11.723 -17.426  -1.942
  262   3HB   ALA  34          3HB       ALA  34 -12.674 -17.300  -0.463
  263    H    ARG  35           H        ARG  35  -8.514 -16.643  -1.504
  264    HA   ARG  35           HA       ARG  35  -7.338 -19.404  -1.528
  265   1HB   ARG  35          2HB       ARG  35  -7.371 -17.120  -3.516
  266   2HB   ARG  35          1HB       ARG  35  -6.288 -18.501  -3.685
  267   1HG   ARG  35          2HG       ARG  35  -8.336 -19.992  -3.522
  268   2HG   ARG  35          1HG       ARG  35  -9.314 -18.530  -3.660
  269   1HD   ARG  35          2HD       ARG  35  -9.164 -19.106  -5.910
  270   2HD   ARG  35          1HD       ARG  35  -7.694 -18.122  -5.769
  271    HE   ARG  35           HE       ARG  35  -6.433 -20.242  -5.386
  272   1HH1  ARG  35          2HH1      ARG  35  -7.580 -20.382  -8.156
  273   2HH1  ARG  35          1HH1      ARG  35  -8.298 -21.958  -8.169
  274   1HH2  ARG  35          1HH2      ARG  35  -8.257 -22.296  -4.719
  275   2HH2  ARG  35          2HH2      ARG  35  -8.682 -23.041  -6.224
  276    H    GLY  36           H        GLY  36  -6.928 -16.198  -0.445
  277   1HA   GLY  36          2HA       GLY  36  -4.598 -16.579   1.011
  278   2HA   GLY  36          1HA       GLY  36  -4.028 -16.077  -0.582
  279    H    THR  37           H        THR  37  -3.438 -13.960  -0.345
  280    HA   THR  37           HA       THR  37  -5.538 -12.056   0.592
  281    HB   THR  37           HB       THR  37  -3.454 -10.939   1.786
  282    HG1  THR  37           HG1      THR  37  -1.973 -12.468   0.982
  283   1HG2  THR  37          1HG2      THR  37  -4.685 -11.515   3.573
  284   2HG2  THR  37          2HG2      THR  37  -4.084 -13.170   3.471
  285   3HG2  THR  37          3HG2      THR  37  -5.536 -12.704   2.585
  286    H    ARG  38           H        ARG  38  -5.526 -10.155  -0.606
  287    HA   ARG  38           HA       ARG  38  -3.475  -9.944  -2.768
  288   1HB   ARG  38          2HB       ARG  38  -6.264  -8.842  -2.334
  289   2HB   ARG  38          1HB       ARG  38  -5.251  -8.368  -3.698
  290   1HG   ARG  38          2HG       ARG  38  -5.528 -11.288  -3.206
  291   2HG   ARG  38          1HG       ARG  38  -6.957 -10.454  -3.817
  292   1HD   ARG  38          2HD       ARG  38  -4.251 -10.049  -5.108
  293   2HD   ARG  38          1HD       ARG  38  -5.317 -11.385  -5.587
  294    HE   ARG  38           HE       ARG  38  -6.555  -8.702  -5.467
  295   1HH1  ARG  38          1HH2      ARG  38  -6.535 -11.615  -7.053
  296   2HH1  ARG  38          2HH2      ARG  38  -6.637 -10.966  -8.656
  297   1HH2  ARG  38          2HH1      ARG  38  -6.097  -7.691  -7.649
  298   2HH2  ARG  38          1HH1      ARG  38  -6.388  -8.745  -8.993
  299    H    ILE  39           H        ILE  39  -2.344  -7.955  -3.072
  300    HA   ILE  39           HA       ILE  39  -2.697  -5.888  -0.934
  301    HB   ILE  39           HB       ILE  39  -0.853  -7.519  -0.447
  302   1HG1  ILE  39          2HG1      ILE  39   0.539  -4.969  -1.127
  303   2HG1  ILE  39          1HG1      ILE  39  -0.869  -4.858  -0.069
  304   1HG2  ILE  39          1HG2      ILE  39  -0.302  -7.004  -3.232
  305   2HG2  ILE  39          2HG2      ILE  39   0.420  -8.212  -2.169
  306   3HG2  ILE  39          3HG2      ILE  39   1.112  -6.592  -2.261
  307   1HD1  ILE  39          1HD1      ILE  39   0.424  -5.516   1.649
  308   2HD1  ILE  39          2HD1      ILE  39   1.791  -5.773   0.564
  309   3HD1  ILE  39          3HD1      ILE  39   0.633  -7.073   0.847
  310    H    GLU  40           H        GLU  40  -2.010  -3.753  -1.594
  311    HA   GLU  40           HA       GLU  40  -1.166  -3.375  -4.415
  312   1HB   GLU  40          2HB       GLU  40  -3.666  -3.563  -4.324
  313   2HB   GLU  40          1HB       GLU  40  -3.693  -2.175  -3.236
  314   1HG   GLU  40          2HG       GLU  40  -3.030  -0.685  -4.895
  315   2HG   GLU  40          1HG       GLU  40  -2.243  -1.941  -5.851
  316    H    ARG  41           H        ARG  41   0.251  -1.660  -4.498
  317    HA   ARG  41           HA       ARG  41   0.337   0.184  -2.137
  318   1HB   ARG  41          2HB       ARG  41   2.253  -1.438  -3.466
  319   2HB   ARG  41          1HB       ARG  41   2.679   0.237  -3.817
  320   1HG   ARG  41          2HG       ARG  41   1.898  -0.173  -1.023
  321   2HG   ARG  41          1HG       ARG  41   3.313  -1.118  -1.487
  322   1HD   ARG  41          2HD       ARG  41   3.944   1.257  -2.648
  323   2HD   ARG  41          1HD       ARG  41   3.017   1.824  -1.246
  324    HE   ARG  41           HE       ARG  41   5.398   0.020  -1.066
  325   1HH1  ARG  41          1HH2      ARG  41   5.202   3.006  -0.223
  326   2HH1  ARG  41          2HH2      ARG  41   5.099   2.829   1.497
  327   1HH2  ARG  41          2HH1      ARG  41   4.371  -0.558   1.371
  328   2HH2  ARG  41          1HH1      ARG  41   4.632   0.812   2.399
  329    H    GLY  42           H        GLY  42   0.974   2.450  -2.656
  330   1HA   GLY  42          2HA       GLY  42   1.146   3.576  -5.224
  331   2HA   GLY  42          1HA       GLY  42  -0.573   3.538  -4.826
  332    H    CYS  43           H        CYS  43  -0.139   5.987  -4.990
  333    HA   CYS  43           HA       CYS  43   0.731   7.001  -2.301
  334   1HB   CYS  43          2HB       CYS  43   1.766   7.484  -4.896
  335   2HB   CYS  43          1HB       CYS  43   0.924   8.958  -4.416
  336    H    ALA  44           H        ALA  44  -1.010   7.848  -1.236
  337    HA   ALA  44           HA       ALA  44  -2.885   9.635  -2.643
  338   1HB   ALA  44          1HB       ALA  44  -4.749   8.239  -2.519
  339   2HB   ALA  44          2HB       ALA  44  -4.082   7.305  -1.179
  340   3HB   ALA  44          3HB       ALA  44  -3.479   7.052  -2.817
  341    H    ALA  45           H        ALA  45  -4.825   9.938  -0.777
  342    HA   ALA  45           HA       ALA  45  -3.353  10.446   1.790
  343   1HB   ALA  45          1HB       ALA  45  -4.770  12.181  -0.087
  344   2HB   ALA  45          2HB       ALA  45  -3.679  12.617   1.229
  345   3HB   ALA  45          3HB       ALA  45  -5.389  12.338   1.558
  346    H    THR  46           H        THR  46  -6.005   8.930   0.288
  347    HA   THR  46           HA       THR  46  -8.083   9.147   2.212
  348    HB   THR  46           HB       THR  46  -7.344   6.656   0.658
  349    HG1  THR  46           HG1      THR  46  -7.875   7.650  -1.141
  350   1HG2  THR  46          1HG2      THR  46  -9.324   6.647   2.206
  351   2HG2  THR  46          2HG2      THR  46  -9.742   6.357   0.518
  352   3HG2  THR  46          3HG2      THR  46 -10.024   7.943   1.237
  353    H    CYS  47           H        CYS  47  -5.945   6.290   1.877
  354    HA   CYS  47           HA       CYS  47  -5.188   4.769   3.524
  355   1HB   CYS  47          2HB       CYS  47  -3.843   6.768   4.005
  356   2HB   CYS  47          1HB       CYS  47  -5.137   7.415   5.012
  357    HA   PRO  48           HA       PRO  48  -9.385   4.924   5.601
  358   1HB   PRO  48          2HB       PRO  48 -10.459   2.734   4.361
  359   2HB   PRO  48          1HB       PRO  48 -10.598   4.378   3.708
  360   1HG   PRO  48          2HG       PRO  48  -8.774   2.173   2.909
  361   2HG   PRO  48          1HG       PRO  48  -9.578   3.392   1.910
  362   1HD   PRO  48          2HD       PRO  48  -6.939   3.506   2.646
  363   2HD   PRO  48          1HD       PRO  48  -7.919   4.928   2.225
  364    H    LYS  49           H        LYS  49 -10.452   2.448   6.303
  365    HA   LYS  49           HA       LYS  49  -8.140   1.102   7.665
  366   1HB   LYS  49          2HB       LYS  49 -11.012   1.440   8.588
  367   2HB   LYS  49          1HB       LYS  49  -9.675   0.791   9.540
  368   1HG   LYS  49          2HG       LYS  49  -8.875   2.854  10.030
  369   2HG   LYS  49          1HG       LYS  49  -9.110   3.430   8.380
  370   1HD   LYS  49          2HD       LYS  49 -10.756   4.691   9.335
  371   2HD   LYS  49          1HD       LYS  49 -11.696   3.206   9.188
  372   1HE   LYS  49          2HE       LYS  49 -11.594   2.760  11.451
  373   2HE   LYS  49          1HE       LYS  49  -9.988   3.497  11.626
  374   1HZ   LYS  49          1HZ       LYS  49 -11.718   4.910  12.586
  375   2HZ   LYS  49          2HZ       LYS  49 -12.510   4.976  11.085
  376   3HZ   LYS  49          3HZ       LYS  49 -10.970   5.668  11.267
  377    H    GLY  50           H        GLY  50 -10.265  -0.827   8.702
  378   1HA   GLY  50          2HA       GLY  50 -10.882  -2.307   6.193
  379   2HA   GLY  50          1HA       GLY  50  -9.977  -3.127   7.466
  380    H    SER  51           H        SER  51 -12.021  -4.553   7.232
  381    HA   SER  51           HA       SER  51 -13.953  -3.684   9.329
  382   1HB   SER  51          2HB       SER  51 -15.757  -3.751   7.900
  383   2HB   SER  51          1HB       SER  51 -14.522  -3.348   6.709
  384    HG   SER  51           HG       SER  51 -14.282  -5.656   6.414
  385    H    VAL  52           H        VAL  52 -15.613  -5.789   9.435
  386    HA   VAL  52           HA       VAL  52 -14.335  -7.863  10.746
  387    HB   VAL  52           HB       VAL  52 -16.781  -7.807   8.965
  388   1HG1  VAL  52          1HG1      VAL  52 -16.730 -10.070   9.029
  389   2HG1  VAL  52          2HG1      VAL  52 -17.107  -9.911  10.745
  390   3HG1  VAL  52          3HG1      VAL  52 -15.431 -10.084  10.223
  391   1HG2  VAL  52          1HG2      VAL  52 -16.187  -6.838  11.561
  392   2HG2  VAL  52          2HG2      VAL  52 -17.214  -8.253  11.784
  393   3HG2  VAL  52          3HG2      VAL  52 -17.768  -6.911  10.783
  394    H    TYR  53           H        TYR  53 -14.601  -7.399   7.258
  395    HA   TYR  53           HA       TYR  53 -13.866  -9.989   6.354
  396   1HB   TYR  53          2HB       TYR  53 -13.977  -7.221   5.385
  397   2HB   TYR  53          1HB       TYR  53 -12.726  -8.175   4.588
  398    HD1  TYR  53           HD1      TYR  53 -16.335  -7.783   5.156
  399    HD2  TYR  53           HD2      TYR  53 -13.300 -10.182   3.291
  400    HE1  TYR  53           HE1      TYR  53 -18.068  -8.912   3.788
  401    HE2  TYR  53           HE2      TYR  53 -15.033 -11.311   1.922
  402    HH   TYR  53           HH       TYR  53 -17.337 -11.713   1.843
  403    H    GLY  54           H        GLY  54 -11.670  -7.158   6.539
  404   1HA   GLY  54          2HA       GLY  54  -9.600  -7.670   8.035
  405   2HA   GLY  54          1HA       GLY  54  -9.418  -9.066   6.971
  406    H    LEU  55           H        LEU  55  -9.951  -5.536   6.627
  407    HA   LEU  55           HA       LEU  55  -8.306  -5.563   4.154
  408   1HB   LEU  55          2HB       LEU  55 -10.482  -4.035   5.316
  409   2HB   LEU  55          1HB       LEU  55  -9.180  -2.962   4.803
  410    HG   LEU  55           HG       LEU  55  -9.274  -4.642   2.675
  411   1HD1  LEU  55          1HD1      LEU  55 -11.266  -5.678   2.396
  412   2HD1  LEU  55          2HD1      LEU  55 -12.167  -4.257   2.920
  413   3HD1  LEU  55          3HD1      LEU  55 -11.526  -5.383   4.115
  414   1HD2  LEU  55          1HD2      LEU  55  -9.994  -2.775   1.538
  415   2HD2  LEU  55          2HD2      LEU  55  -9.658  -2.006   3.089
  416   3HD2  LEU  55          3HD2      LEU  55 -11.309  -2.465   2.673
  417    H    TYR  56           H        TYR  56  -6.122  -5.375   4.509
  418    HA   TYR  56           HA       TYR  56  -5.120  -3.893   6.874
  419   1HB   TYR  56          2HB       TYR  56  -4.032  -5.766   4.786
  420   2HB   TYR  56          1HB       TYR  56  -2.916  -4.796   5.748
  421    HD1  TYR  56           HD1      TYR  56  -6.075  -6.738   6.363
  422    HD2  TYR  56           HD2      TYR  56  -2.059  -5.877   7.618
  423    HE1  TYR  56           HE1      TYR  56  -6.325  -8.326   8.252
  424    HE2  TYR  56           HE2      TYR  56  -2.309  -7.464   9.507
  425    HH   TYR  56           HH       TYR  56  -5.164  -9.507   9.824
  426    H    VAL  57           H        VAL  57  -5.483  -1.687   6.303
  427    HA   VAL  57           HA       VAL  57  -4.095  -0.729   3.822
  428    HB   VAL  57           HB       VAL  57  -6.296   0.548   5.478
  429   1HG1  VAL  57          1HG1      VAL  57  -6.479   1.657   3.029
  430   2HG1  VAL  57          2HG1      VAL  57  -4.748   1.317   3.054
  431   3HG1  VAL  57          3HG1      VAL  57  -5.464   2.337   4.302
  432   1HG2  VAL  57          1HG2      VAL  57  -6.580  -1.715   3.995
  433   2HG2  VAL  57          2HG2      VAL  57  -6.831  -0.491   2.750
  434   3HG2  VAL  57          3HG2      VAL  57  -7.858  -0.514   4.184
  435    H    LEU  58           H        LEU  58  -2.696   1.095   4.029
  436    HA   LEU  58           HA       LEU  58  -2.294   2.322   6.687
  437   1HB   LEU  58          2HB       LEU  58  -0.713   0.120   5.596
  438   2HB   LEU  58          1HB       LEU  58   0.284   1.520   5.990
  439    HG   LEU  58           HG       LEU  58  -1.481   1.324   8.141
  440   1HD1  LEU  58          1HD1      LEU  58  -0.315  -1.418   7.794
  441   2HD1  LEU  58          2HD1      LEU  58  -1.860  -1.044   7.028
  442   3HD1  LEU  58          3HD1      LEU  58  -1.686  -0.903   8.778
  443   1HD2  LEU  58          1HD2      LEU  58   1.127  -0.067   8.388
  444   2HD2  LEU  58          2HD2      LEU  58   0.478   1.281   9.322
  445   3HD2  LEU  58          3HD2      LEU  58   1.198   1.572   7.739
  446    H    CYS  59           H        CYS  59  -0.715   4.132   6.550
  447    HA   CYS  59           HA       CYS  59  -0.010   5.016   3.794
  448   1HB   CYS  59          2HB       CYS  59  -0.971   7.316   4.566
  449   2HB   CYS  59          1HB       CYS  59  -2.104   6.076   4.040
  450    H    CYS  60           H        CYS  60   1.761   6.506   3.778
  451    HA   CYS  60           HA       CYS  60   2.884   7.474   6.320
  452   1HB   CYS  60          2HB       CYS  60   3.526   4.912   5.340
  453   2HB   CYS  60          1HB       CYS  60   4.906   5.928   4.941
  454    H    THR  61           H        THR  61   5.374   8.155   5.598
  455    HA   THR  61           HA       THR  61   4.965  10.130   3.469
  456    HB   THR  61           HB       THR  61   7.404  10.646   4.390
  457    HG1  THR  61           HG1      THR  61   7.259   8.535   5.524
  458   1HG2  THR  61          1HG2      THR  61   6.337  11.861   6.301
  459   2HG2  THR  61          2HG2      THR  61   4.840  10.990   5.965
  460   3HG2  THR  61          3HG2      THR  61   5.499  12.104   4.768
  461    H    THR  62           H        THR  62   7.640  10.362   2.578
  462    HA   THR  62           HA       THR  62   7.758   8.523   0.418
  463    HB   THR  62           HB       THR  62  10.316   9.418   0.702
  464    HG1  THR  62           HG1      THR  62   8.907  11.541   1.796
  465   1HG2  THR  62          1HG2      THR  62   8.988   9.963  -1.212
  466   2HG2  THR  62          2HG2      THR  62   9.476  11.499  -0.497
  467   3HG2  THR  62          3HG2      THR  62   7.844  10.885  -0.235
  468    H    ASP  63           H        ASP  63  10.129   7.339   0.192
  469    HA   ASP  63           HA       ASP  63  11.028   5.181   0.712
  470   1HB   ASP  63          2HB       ASP  63  12.011   7.388   2.096
  471   2HB   ASP  63          1HB       ASP  63  11.809   6.168   3.353
  472    H    ASP  64           H        ASP  64   8.637   4.370   1.017
  473    HA   ASP  64           HA       ASP  64   7.172   2.993   2.268
  474   1HB   ASP  64          2HB       ASP  64   9.324   1.828   2.650
  475   2HB   ASP  64          1HB       ASP  64   9.627   2.858   4.050
  476    H    CYS  65           H        CYS  65   9.034   4.456   4.990
  477    HA   CYS  65           HA       CYS  65   6.559   5.940   5.776
  478   1HB   CYS  65          2HB       CYS  65   8.042   3.773   7.126
  479   2HB   CYS  65          1HB       CYS  65   7.692   5.159   8.157
  480    H    ASN  66           HN       ASN  66   9.192   6.687   4.500
  481    HA   ASN  66           HA       ASN  66  11.127   7.871   6.057
  482   1HB   ASN  66          2HB       ASN  66  10.679   7.877   3.517
  483   2HB   ASN  66          1HB       ASN  66   9.735   9.336   3.808
  484   1HD2  ASN  66          1HD2      ASN  66  12.031   9.522   2.204
  485   2HD2  ASN  66          2HD2      ASN  66  13.242  10.369   3.039
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1  11.918  11.938  -1.158
    2   2H    MET   1          2H        MET   1  12.924  11.306  -2.372
    3   3H    MET   1          3H        MET   1  13.529  11.546  -0.802
    4    HA   MET   1           HA       MET   1  13.134   9.290  -0.744
    5   1HB   MET   1          2HB       MET   1  10.939  11.046   0.238
    6   2HB   MET   1          1HB       MET   1  10.621   9.311   0.255
    7   1HG   MET   1          2HG       MET   1  11.862   9.111   2.118
    8   2HG   MET   1          1HG       MET   1  13.268   9.699   1.231
    9   1HE   MET   1          1HE       MET   1   9.978  10.569   2.402
   10   2HE   MET   1          2HE       MET   1   9.968  12.327   2.524
   11   3HE   MET   1          3HE       MET   1  10.328  11.354   3.948
   12    H    LYS   2           H        LYS   2  11.287   7.544  -1.139
   13    HA   LYS   2           HA       LYS   2   9.723   8.078  -3.603
   14   1HB   LYS   2          2HB       LYS   2  11.932   6.014  -3.358
   15   2HB   LYS   2          1HB       LYS   2  10.825   6.136  -4.723
   16   1HG   LYS   2          2HG       LYS   2  11.636   8.642  -4.779
   17   2HG   LYS   2          1HG       LYS   2  13.027   8.003  -3.903
   18   1HD   LYS   2          2HD       LYS   2  13.344   6.307  -5.693
   19   2HD   LYS   2          1HD       LYS   2  12.002   7.027  -6.585
   20   1HE   LYS   2          2HE       LYS   2  13.229   9.187  -6.675
   21   2HE   LYS   2          1HE       LYS   2  14.594   8.426  -5.833
   22   1HZ   LYS   2          1HZ       LYS   2  13.546   7.891  -8.527
   23   2HZ   LYS   2          2HZ       LYS   2  14.278   6.624  -7.663
   24   3HZ   LYS   2          3HZ       LYS   2  15.155   8.036  -8.013
   25    H    CYS   3           H        CYS   3   8.377   6.094  -4.143
   26    HA   CYS   3           HA       CYS   3   7.834   4.404  -1.726
   27   1HB   CYS   3          2HB       CYS   3   6.254   6.282  -1.843
   28   2HB   CYS   3          1HB       CYS   3   5.877   5.883  -3.518
   29    H    LYS   4           H        LYS   4   8.424   2.386  -2.490
   30    HA   LYS   4           HA       LYS   4   8.113   1.618  -5.291
   31   1HB   LYS   4          2HB       LYS   4   9.131  -0.446  -4.506
   32   2HB   LYS   4          1HB       LYS   4   9.938   0.906  -3.710
   33   1HG   LYS   4          2HG       LYS   4   8.327   0.587  -1.773
   34   2HG   LYS   4          1HG       LYS   4   7.819  -0.915  -2.546
   35   1HD   LYS   4          2HD       LYS   4   9.629  -1.997  -1.766
   36   2HD   LYS   4          1HD       LYS   4  10.703  -0.778  -2.454
   37   1HE   LYS   4          2HE       LYS   4  11.051   0.156  -0.417
   38   2HE   LYS   4          1HE       LYS   4   9.306   0.243  -0.102
   39   1HZ   LYS   4          1HZ       LYS   4  10.512  -2.411  -0.119
   40   2HZ   LYS   4          2HZ       LYS   4   9.273  -1.788   0.864
   41   3HZ   LYS   4          3HZ       LYS   4  10.898  -1.422   1.203
   42    H    ILE   5           H        ILE   5   6.191   0.928  -6.132
   43    HA   ILE   5           HA       ILE   5   4.089  -0.106  -4.291
   44    HB   ILE   5           HB       ILE   5   3.984   0.654  -7.228
   45   1HG1  ILE   5          2HG1      ILE   5   3.309   2.317  -4.778
   46   2HG1  ILE   5          1HG1      ILE   5   4.744   2.535  -5.781
   47   1HG2  ILE   5          1HG2      ILE   5   2.039  -0.302  -5.227
   48   2HG2  ILE   5          2HG2      ILE   5   1.950  -0.336  -6.989
   49   3HG2  ILE   5          3HG2      ILE   5   1.522   1.134  -6.113
   50   1HD1  ILE   5          1HD1      ILE   5   2.743   4.055  -6.305
   51   2HD1  ILE   5          2HD1      ILE   5   1.958   2.612  -6.946
   52   3HD1  ILE   5          3HD1      ILE   5   3.457   3.195  -7.668
   53    H    CYS   6           H        CYS   6   3.536  -2.258  -4.312
   54    HA   CYS   6           HA       CYS   6   4.004  -3.948  -6.673
   55   1HB   CYS   6          2HB       CYS   6   5.930  -3.658  -4.539
   56   2HB   CYS   6          1HB       CYS   6   5.322  -5.313  -4.570
   57    H    ASN   7           H        ASN   7   3.379  -6.313  -6.049
   58    HA   ASN   7           HA       ASN   7   0.827  -6.220  -4.604
   59   1HB   ASN   7          2HB       ASN   7   2.093  -7.727  -6.651
   60   2HB   ASN   7          1HB       ASN   7   1.717  -8.858  -5.350
   61   1HD2  ASN   7          1HD2      ASN   7  -0.054  -9.833  -6.584
   62   2HD2  ASN   7          2HD2      ASN   7  -1.513  -9.002  -6.834
   63    H    PHE   8           H        PHE   8   3.855  -6.302  -3.433
   64    HA   PHE   8           HA       PHE   8   4.833  -7.105  -1.438
   65   1HB   PHE   8          2HB       PHE   8   2.136  -6.388  -1.048
   66   2HB   PHE   8          1HB       PHE   8   2.347  -7.908  -0.177
   67    HD1  PHE   8           HD1      PHE   8   3.658  -8.030   1.816
   68    HD2  PHE   8           HD2      PHE   8   3.682  -4.459  -0.571
   69    HE1  PHE   8           HE1      PHE   8   4.869  -6.832   3.619
   70    HE2  PHE   8           HE2      PHE   8   4.892  -3.261   1.231
   71    HZ   PHE   8           HZ       PHE   8   5.487  -4.448   3.326
   72    H    ASP   9           H        ASP   9   5.418  -9.089  -0.382
   73    HA   ASP   9           HA       ASP   9   5.557 -11.438  -0.096
   74   1HB   ASP   9          2HB       ASP   9   2.873 -10.829  -0.467
   75   2HB   ASP   9          1HB       ASP   9   3.176 -12.073  -1.680
   76    H    THR  10           H        THR  10   4.459 -10.404  -3.368
   77    HA   THR  10           HA       THR  10   6.608 -12.147  -4.496
   78    HB   THR  10           HB       THR  10   4.269 -13.176  -4.506
   79    HG1  THR  10           HG1      THR  10   5.000 -14.162  -6.192
   80   1HG2  THR  10          1HG2      THR  10   2.535 -12.178  -5.620
   81   2HG2  THR  10          2HG2      THR  10   3.596 -11.433  -6.816
   82   3HG2  THR  10          3HG2      THR  10   3.430 -10.714  -5.214
   83    H    CYS  11           H        CYS  11   6.618  -9.281  -4.074
   84    HA   CYS  11           HA       CYS  11   7.253  -8.396  -6.781
   85   1HB   CYS  11          2HB       CYS  11   4.717  -8.339  -6.580
   86   2HB   CYS  11          1HB       CYS  11   4.921  -7.096  -5.345
   87    H    ARG  12           H        ARG  12   8.917  -6.952  -6.520
   88    HA   ARG  12           HA       ARG  12   9.214  -5.607  -3.866
   89   1HB   ARG  12          2HB       ARG  12  11.023  -6.678  -5.988
   90   2HB   ARG  12          1HB       ARG  12  11.604  -5.313  -5.031
   91   1HG   ARG  12          2HG       ARG  12  10.331  -7.535  -3.520
   92   2HG   ARG  12          1HG       ARG  12  11.905  -7.878  -4.239
   93   1HD   ARG  12          2HD       ARG  12  11.427  -5.372  -2.607
   94   2HD   ARG  12          1HD       ARG  12  11.946  -6.895  -1.861
   95    HE   ARG  12           HE       ARG  12  13.477  -5.765  -4.164
   96   1HH1  ARG  12          1HH2      ARG  12  13.522  -5.354  -0.898
   97   2HH1  ARG  12          2HH2      ARG  12  15.087  -6.042  -0.623
   98   1HH2  ARG  12          2HH1      ARG  12  15.380  -7.324  -3.831
   99   2HH2  ARG  12          1HH1      ARG  12  16.139  -7.158  -2.283
  100    H    ALA  13           H        ALA  13  10.884  -4.555  -6.737
  101    HA   ALA  13           HA       ALA  13   9.565  -1.894  -6.493
  102   1HB   ALA  13          1HB       ALA  13  11.784  -1.396  -6.557
  103   2HB   ALA  13          2HB       ALA  13  11.663  -1.703  -8.290
  104   3HB   ALA  13          3HB       ALA  13  12.201  -2.983  -7.203
  105    H    GLY  14           H        GLY  14   7.602  -2.783  -7.636
  106   1HA   GLY  14          2HA       GLY  14   8.019  -3.311 -10.530
  107   2HA   GLY  14          1HA       GLY  14   6.516  -3.588  -9.645
  108    H    GLU  15           H        GLU  15   6.440  -1.049  -8.309
  109    HA   GLU  15           HA       GLU  15   6.309   0.928 -10.542
  110   1HB   GLU  15          2HB       GLU  15   4.093  -0.381  -9.066
  111   2HB   GLU  15          1HB       GLU  15   3.939   1.365  -9.261
  112   1HG   GLU  15          2HG       GLU  15   3.215   1.005 -11.362
  113   2HG   GLU  15          1HG       GLU  15   4.825   0.400 -11.757
  114    H    LEU  16           H        LEU  16   8.213   1.642  -9.107
  115    HA   LEU  16           HA       LEU  16   7.431   2.828  -6.513
  116   1HB   LEU  16          2HB       LEU  16   9.519   1.653  -6.584
  117   2HB   LEU  16          1HB       LEU  16  10.013   2.493  -8.056
  118    HG   LEU  16           HG       LEU  16   9.374   4.420  -6.006
  119   1HD1  LEU  16          1HD1      LEU  16   9.938   2.858  -4.311
  120   2HD1  LEU  16          2HD1      LEU  16  11.420   3.779  -4.570
  121   3HD1  LEU  16          3HD1      LEU  16  11.249   2.168  -5.269
  122   1HD2  LEU  16          1HD2      LEU  16  11.168   4.054  -8.122
  123   2HD2  LEU  16          2HD2      LEU  16  12.192   4.103  -6.687
  124   3HD2  LEU  16          3HD2      LEU  16  11.104   5.445  -7.039
  125    H    LYS  17           H        LYS  17   7.400   5.064  -6.126
  126    HA   LYS  17           HA       LYS  17   8.009   6.903  -8.386
  127   1HB   LYS  17          2HB       LYS  17   5.448   5.968  -7.718
  128   2HB   LYS  17          1HB       LYS  17   5.531   7.582  -7.011
  129   1HG   LYS  17          2HG       LYS  17   6.652   8.085  -9.421
  130   2HG   LYS  17          1HG       LYS  17   5.578   6.760  -9.866
  131   1HD   LYS  17          2HD       LYS  17   4.824   9.382  -8.555
  132   2HD   LYS  17          1HD       LYS  17   4.309   8.779 -10.131
  133   1HE   LYS  17          2HE       LYS  17   3.327   6.766  -8.769
  134   2HE   LYS  17          1HE       LYS  17   3.426   7.884  -7.393
  135   1HZ   LYS  17          1HZ       LYS  17   2.432   9.531  -9.157
  136   2HZ   LYS  17          2HZ       LYS  17   1.421   8.509  -8.253
  137   3HZ   LYS  17          3HZ       LYS  17   1.839   8.101  -9.849
  138    H    VAL  18           H        VAL  18   6.624   9.070  -6.847
  139    HA   VAL  18           HA       VAL  18   8.510   9.269  -4.525
  140    HB   VAL  18           HB       VAL  18   8.515  11.745  -5.217
  141   1HG1  VAL  18          1HG1      VAL  18   9.872   9.433  -6.369
  142   2HG1  VAL  18          2HG1      VAL  18  10.542  10.990  -5.880
  143   3HG1  VAL  18          3HG1      VAL  18   9.835  10.797  -7.485
  144   1HG2  VAL  18          1HG2      VAL  18   7.613  12.384  -7.256
  145   2HG2  VAL  18          2HG2      VAL  18   6.454  11.141  -6.788
  146   3HG2  VAL  18          3HG2      VAL  18   7.738  10.762  -7.936
  147    H    CYS  19           H        CYS  19   7.528   9.878  -2.619
  148    HA   CYS  19           HA       CYS  19   4.915  11.298  -2.697
  149   1HB   CYS  19          2HB       CYS  19   4.926   8.613  -2.655
  150   2HB   CYS  19          1HB       CYS  19   5.144   8.900  -0.929
  151    H    ALA  20           H        ALA  20   4.242  11.418  -0.130
  152    HA   ALA  20           HA       ALA  20   4.789  12.509   1.896
  153   1HB   ALA  20          1HB       ALA  20   7.375  10.967   1.582
  154   2HB   ALA  20          2HB       ALA  20   5.852  10.177   1.988
  155   3HB   ALA  20          3HB       ALA  20   6.538  11.380   3.079
  156    H    SER  21           H        SER  21   5.677  13.751  -0.719
  157    HA   SER  21           HA       SER  21   8.128  15.209   0.174
  158   1HB   SER  21          2HB       SER  21   7.692  13.989  -2.127
  159   2HB   SER  21          1HB       SER  21   6.804  15.460  -2.514
  160    HG   SER  21           HG       SER  21   8.633  16.484  -2.681
  161    H    GLY  22           H        GLY  22   4.774  15.705  -0.903
  162   1HA   GLY  22          2HA       GLY  22   4.983  18.520   0.094
  163   2HA   GLY  22          1HA       GLY  22   4.008  18.087  -1.311
  164    H    GLU  23           H        GLU  23   1.961  17.201  -0.986
  165    HA   GLU  23           HA       GLU  23   1.107  16.865   1.873
  166   1HB   GLU  23          2HB       GLU  23   0.309  18.728  -0.134
  167   2HB   GLU  23          1HB       GLU  23  -1.049  17.635   0.138
  168   1HG   GLU  23          2HG       GLU  23  -0.084  18.161   2.702
  169   2HG   GLU  23          1HG       GLU  23   0.018  19.717   1.877
  170    H    LYS  24           H        LYS  24   1.917  14.570   0.784
  171    HA   LYS  24           HA       LYS  24  -0.575  13.056   0.383
  172   1HB   LYS  24          2HB       LYS  24   0.389  12.115  -1.800
  173   2HB   LYS  24          1HB       LYS  24  -0.200  13.776  -1.870
  174   1HG   LYS  24          2HG       LYS  24   2.054  14.645  -1.632
  175   2HG   LYS  24          1HG       LYS  24   2.693  13.021  -1.373
  176   1HD   LYS  24          2HD       LYS  24   2.892  12.717  -3.591
  177   2HD   LYS  24          1HD       LYS  24   1.170  13.032  -3.804
  178   1HE   LYS  24          2HE       LYS  24   1.504  15.263  -4.340
  179   2HE   LYS  24          1HE       LYS  24   2.981  15.380  -3.364
  180   1HZ   LYS  24          1HZ       LYS  24   3.793  13.567  -5.045
  181   2HZ   LYS  24          2HZ       LYS  24   3.885  15.216  -5.444
  182   3HZ   LYS  24          3HZ       LYS  24   2.618  14.260  -6.052
  183    H    TYR  25           H        TYR  25  -0.064  10.660   0.269
  184    HA   TYR  25           HA       TYR  25   2.652   9.890   1.180
  185   1HB   TYR  25          2HB       TYR  25   1.459   8.692   3.148
  186   2HB   TYR  25          1HB       TYR  25   1.676  10.436   3.268
  187    HD1  TYR  25           HD1      TYR  25  -0.784   8.071   1.680
  188    HD2  TYR  25           HD2      TYR  25  -0.173  11.608   4.041
  189    HE1  TYR  25           HE1      TYR  25  -3.238   8.361   1.884
  190    HE2  TYR  25           HE2      TYR  25  -2.627  11.897   4.244
  191    HH   TYR  25           HH       TYR  25  -4.713  10.054   4.079
  192    H    CYS  26           H        CYS  26   2.491   7.340   1.693
  193    HA   CYS  26           HA       CYS  26   0.995   6.140  -0.615
  194   1HB   CYS  26          2HB       CYS  26   3.660   5.879   0.568
  195   2HB   CYS  26          1HB       CYS  26   2.882   4.317   0.327
  196    H    PHE  27           H        PHE  27  -0.630   4.700  -0.137
  197    HA   PHE  27           HA       PHE  27  -0.828   3.720   2.690
  198   1HB   PHE  27          2HB       PHE  27  -3.203   3.856   2.397
  199   2HB   PHE  27          1HB       PHE  27  -2.545   5.340   1.711
  200    HD1  PHE  27           HD1      PHE  27  -2.390   5.640  -0.740
  201    HD2  PHE  27           HD2      PHE  27  -4.193   2.148   0.994
  202    HE1  PHE  27           HE1      PHE  27  -3.421   5.087  -2.927
  203    HE2  PHE  27           HE2      PHE  27  -5.224   1.595  -1.192
  204    HZ   PHE  27           HZ       PHE  27  -4.839   3.064  -3.153
  205    H    LYS  28           H        LYS  28  -0.394   1.567   2.866
  206    HA   LYS  28           HA       LYS  28  -0.527  -0.181   0.482
  207   1HB   LYS  28          2HB       LYS  28   1.408  -0.282   1.958
  208   2HB   LYS  28          1HB       LYS  28   0.370  -0.545   3.360
  209   1HG   LYS  28          2HG       LYS  28  -0.054  -2.467   1.164
  210   2HG   LYS  28          1HG       LYS  28   1.544  -2.553   1.907
  211   1HD   LYS  28          2HD       LYS  28  -0.893  -2.392   3.656
  212   2HD   LYS  28          1HD       LYS  28  -0.433  -3.939   2.943
  213   1HE   LYS  28          2HE       LYS  28   1.799  -2.430   4.180
  214   2HE   LYS  28          1HE       LYS  28   0.573  -3.039   5.311
  215   1HZ   LYS  28          1HZ       LYS  28   0.825  -5.210   4.534
  216   2HZ   LYS  28          2HZ       LYS  28   2.422  -4.639   4.626
  217   3HZ   LYS  28          3HZ       LYS  28   1.633  -4.725   3.124
  218    H    GLU  29           H        GLU  29  -2.374  -1.333   0.060
  219    HA   GLU  29           HA       GLU  29  -4.254  -1.865   2.337
  220   1HB   GLU  29          2HB       GLU  29  -4.810  -0.325   0.306
  221   2HB   GLU  29          1HB       GLU  29  -4.965  -1.834  -0.593
  222   1HG   GLU  29          2HG       GLU  29  -6.340  -1.932   1.984
  223   2HG   GLU  29          1HG       GLU  29  -6.958  -0.651   0.940
  224    H    SER  30           H        SER  30  -4.243  -3.994   2.918
  225    HA   SER  30           HA       SER  30  -3.552  -6.040   0.844
  226   1HB   SER  30          2HB       SER  30  -2.093  -5.859   2.833
  227   2HB   SER  30          1HB       SER  30  -3.488  -6.100   3.880
  228    HG   SER  30           HG       SER  30  -3.363  -8.162   3.507
  229    H    TRP  31           H        TRP  31  -5.479  -6.780  -0.019
  230    HA   TRP  31           HA       TRP  31  -7.939  -6.928   1.560
  231   1HB   TRP  31          2HB       TRP  31  -7.255  -6.667  -1.090
  232   2HB   TRP  31          1HB       TRP  31  -7.744  -8.359  -1.014
  233    HD1  TRP  31           HD1      TRP  31 -10.119  -8.499   0.777
  234    HE1  TRP  31           HE1      TRP  31 -12.305  -7.205   0.345
  235    HE3  TRP  31           HE3      TRP  31  -8.367  -4.802  -2.280
  236    HZ2  TRP  31           HZ2      TRP  31 -13.195  -4.905  -1.105
  237    HZ3  TRP  31           HZ3      TRP  31  -9.904  -3.074  -3.171
  238    HH2  TRP  31           HH2      TRP  31 -12.314  -3.122  -2.589
  239    H    ARG  32           H        ARG  32  -8.456  -8.646   2.849
  240    HA   ARG  32           HA       ARG  32  -6.948 -11.199   2.525
  241   1HB   ARG  32          2HB       ARG  32  -7.744  -9.571   4.682
  242   2HB   ARG  32          1HB       ARG  32  -8.763 -11.007   4.788
  243   1HG   ARG  32          2HG       ARG  32  -6.603 -12.362   4.453
  244   2HG   ARG  32          1HG       ARG  32  -5.746 -10.858   4.794
  245   1HD   ARG  32          2HD       ARG  32  -6.231 -10.959   7.022
  246   2HD   ARG  32          1HD       ARG  32  -7.899 -11.486   6.721
  247    HE   ARG  32           HE       ARG  32  -5.570 -13.254   7.024
  248   1HH1  ARG  32          1HH2      ARG  32  -8.233 -13.848   8.222
  249   2HH1  ARG  32          2HH2      ARG  32  -8.853 -15.072   7.166
  250   1HH2  ARG  32          2HH1      ARG  32  -6.597 -14.392   4.622
  251   2HH2  ARG  32          1HH1      ARG  32  -7.928 -15.379   5.128
  252    H    GLU  33           H        GLU  33  -8.000 -12.684   1.246
  253    HA   GLU  33           HA       GLU  33 -10.995 -12.790   1.390
  254   1HB   GLU  33          2HB       GLU  33  -8.979 -12.884  -0.764
  255   2HB   GLU  33          1HB       GLU  33 -10.254 -14.095  -0.910
  256   1HG   GLU  33          2HG       GLU  33 -11.940 -12.495  -1.092
  257   2HG   GLU  33          1HG       GLU  33 -10.992 -11.257  -0.268
  258    H    ALA  34           H        ALA  34 -11.487 -15.234   0.325
  259    HA   ALA  34           HA       ALA  34 -10.352 -17.080   2.367
  260   1HB   ALA  34          1HB       ALA  34 -12.876 -16.568   1.693
  261   2HB   ALA  34          2HB       ALA  34 -12.381 -18.196   2.158
  262   3HB   ALA  34          3HB       ALA  34 -12.549 -17.777   0.453
  263    H    ARG  35           H        ARG  35  -9.674 -16.206  -0.777
  264    HA   ARG  35           HA       ARG  35  -8.757 -18.973  -1.491
  265   1HB   ARG  35          2HB       ARG  35  -8.875 -17.936  -3.855
  266   2HB   ARG  35          1HB       ARG  35 -10.409 -18.258  -3.046
  267   1HG   ARG  35          2HG       ARG  35 -10.613 -15.940  -2.376
  268   2HG   ARG  35          1HG       ARG  35  -8.993 -15.580  -2.973
  269   1HD   ARG  35          2HD       ARG  35  -9.981 -16.533  -5.254
  270   2HD   ARG  35          1HD       ARG  35 -11.518 -16.031  -4.520
  271    HE   ARG  35           HE       ARG  35  -9.528 -13.978  -4.167
  272   1HH1  ARG  35          1HH2      ARG  35 -10.148 -15.357  -7.087
  273   2HH1  ARG  35          2HH2      ARG  35 -10.937 -13.991  -7.802
  274   1HH2  ARG  35          2HH1      ARG  35 -11.178 -12.235  -4.822
  275   2HH2  ARG  35          1HH1      ARG  35 -11.518 -12.223  -6.520
  276    H    GLY  36           H        GLY  36  -7.862 -15.611  -1.080
  277   1HA   GLY  36          2HA       GLY  36  -5.123 -16.053  -0.725
  278   2HA   GLY  36          1HA       GLY  36  -5.325 -15.757  -2.453
  279    H    THR  37           H        THR  37  -4.546 -14.211   0.315
  280    HA   THR  37           HA       THR  37  -6.115 -11.758   0.010
  281    HB   THR  37           HB       THR  37  -5.169 -12.677   2.153
  282    HG1  THR  37           HG1      THR  37  -4.616 -10.110   1.186
  283   1HG2  THR  37          1HG2      THR  37  -2.529 -11.726   1.014
  284   2HG2  THR  37          2HG2      THR  37  -3.009 -13.419   1.114
  285   3HG2  THR  37          3HG2      THR  37  -2.794 -12.476   2.588
  286    H    ARG  38           H        ARG  38  -5.374  -9.808  -0.921
  287    HA   ARG  38           HA       ARG  38  -2.812 -10.000  -2.479
  288   1HB   ARG  38          2HB       ARG  38  -5.600  -9.274  -3.155
  289   2HB   ARG  38          1HB       ARG  38  -4.373  -8.193  -3.819
  290   1HG   ARG  38          2HG       ARG  38  -3.285  -9.963  -4.975
  291   2HG   ARG  38          1HG       ARG  38  -4.152 -11.196  -4.059
  292   1HD   ARG  38          2HD       ARG  38  -6.011  -9.402  -5.408
  293   2HD   ARG  38          1HD       ARG  38  -4.909 -10.185  -6.557
  294    HE   ARG  38           HE       ARG  38  -6.518 -11.701  -4.533
  295   1HH1  ARG  38          2HH1      ARG  38  -6.334 -11.119  -7.791
  296   2HH1  ARG  38          1HH1      ARG  38  -6.175 -12.773  -8.277
  297   1HH2  ARG  38          1HH2      ARG  38  -5.701 -13.953  -5.051
  298   2HH2  ARG  38          2HH2      ARG  38  -5.818 -14.378  -6.726
  299    H    ILE  39           H        ILE  39  -1.911  -7.757  -2.980
  300    HA   ILE  39           HA       ILE  39  -2.610  -5.735  -0.891
  301    HB   ILE  39           HB       ILE  39   0.107  -6.915  -1.541
  302   1HG1  ILE  39          2HG1      ILE  39  -0.543  -6.830   1.243
  303   2HG1  ILE  39          1HG1      ILE  39  -1.914  -7.535   0.385
  304   1HG2  ILE  39          1HG2      ILE  39   0.181  -4.437  -1.208
  305   2HG2  ILE  39          2HG2      ILE  39   1.028  -5.323   0.059
  306   3HG2  ILE  39          3HG2      ILE  39  -0.578  -4.660   0.369
  307   1HD1  ILE  39          1HD1      ILE  39   0.183  -8.770  -0.863
  308   2HD1  ILE  39          2HD1      ILE  39  -0.706  -9.460   0.494
  309   3HD1  ILE  39          3HD1      ILE  39   0.810  -8.604   0.776
  310    H    GLU  40           H        GLU  40  -2.416  -3.615  -1.633
  311    HA   GLU  40           HA       GLU  40  -1.087  -3.161  -4.273
  312   1HB   GLU  40          2HB       GLU  40  -3.638  -3.603  -4.327
  313   2HB   GLU  40          1HB       GLU  40  -3.793  -2.023  -3.560
  314   1HG   GLU  40          2HG       GLU  40  -3.610  -1.064  -5.586
  315   2HG   GLU  40          1HG       GLU  40  -1.965  -1.693  -5.695
  316    H    ARG  41           H        ARG  41  -0.077  -1.141  -4.394
  317    HA   ARG  41           HA       ARG  41  -0.328   0.613  -1.973
  318   1HB   ARG  41          2HB       ARG  41   1.843  -0.746  -2.945
  319   2HB   ARG  41          1HB       ARG  41   2.044   0.822  -3.727
  320   1HG   ARG  41          2HG       ARG  41   1.660   1.861  -1.420
  321   2HG   ARG  41          1HG       ARG  41   1.859   0.234  -0.767
  322   1HD   ARG  41          2HD       ARG  41   4.087   0.111  -1.965
  323   2HD   ARG  41          1HD       ARG  41   3.898   1.834  -2.348
  324    HE   ARG  41           HE       ARG  41   3.502   2.008   0.260
  325   1HH1  ARG  41          2HH1      ARG  41   6.272   1.435  -1.377
  326   2HH1  ARG  41          1HH1      ARG  41   7.121   0.633  -0.098
  327   1HH2  ARG  41          1HH2      ARG  41   4.315   0.298   1.912
  328   2HH2  ARG  41          2HH2      ARG  41   6.013  -0.011   1.764
  329    H    GLY  42           H        GLY  42   0.988   2.847  -2.981
  330   1HA   GLY  42          2HA       GLY  42   0.660   3.969  -5.390
  331   2HA   GLY  42          1HA       GLY  42  -1.029   3.874  -4.887
  332    H    CYS  43           H        CYS  43   1.144   6.130  -5.194
  333    HA   CYS  43           HA       CYS  43   1.156   7.304  -2.492
  334   1HB   CYS  43          2HB       CYS  43   3.104   7.587  -3.860
  335   2HB   CYS  43          1HB       CYS  43   2.141   8.118  -5.237
  336    H    ALA  44           H        ALA  44  -0.797   8.159  -1.832
  337    HA   ALA  44           HA       ALA  44  -2.020  10.287  -3.472
  338   1HB   ALA  44          1HB       ALA  44  -2.927   8.063  -4.256
  339   2HB   ALA  44          2HB       ALA  44  -4.164   9.160  -3.639
  340   3HB   ALA  44          3HB       ALA  44  -3.588   7.828  -2.638
  341    H    ALA  45           H        ALA  45  -4.518  10.179  -1.965
  342    HA   ALA  45           HA       ALA  45  -3.572  10.647   0.838
  343   1HB   ALA  45          1HB       ALA  45  -3.608  12.808  -0.147
  344   2HB   ALA  45          2HB       ALA  45  -5.156  12.690   0.691
  345   3HB   ALA  45          3HB       ALA  45  -5.078  12.457  -1.055
  346    H    THR  46           H        THR  46  -5.367   8.662  -0.825
  347    HA   THR  46           HA       THR  46  -8.049   8.972   0.227
  348    HB   THR  46           HB       THR  46  -7.116   6.272  -0.490
  349    HG1  THR  46           HG1      THR  46  -6.803   7.003  -2.711
  350   1HG2  THR  46          1HG2      THR  46  -9.448   7.800  -0.641
  351   2HG2  THR  46          2HG2      THR  46  -9.203   6.195  -1.330
  352   3HG2  THR  46          3HG2      THR  46  -8.927   7.629  -2.317
  353    H    CYS  47           H        CYS  47  -5.355   6.760   1.076
  354    HA   CYS  47           HA       CYS  47  -5.062   5.427   3.020
  355   1HB   CYS  47          2HB       CYS  47  -4.646   7.924   3.557
  356   2HB   CYS  47          1HB       CYS  47  -6.211   7.876   4.367
  357    HA   PRO  48           HA       PRO  48  -9.653   4.619   3.341
  358   1HB   PRO  48          2HB       PRO  48  -9.587   2.100   2.274
  359   2HB   PRO  48          1HB       PRO  48  -9.792   3.562   1.290
  360   1HG   PRO  48          2HG       PRO  48  -7.359   1.914   1.746
  361   2HG   PRO  48          1HG       PRO  48  -7.916   2.723   0.273
  362   1HD   PRO  48          2HD       PRO  48  -5.939   3.700   1.888
  363   2HD   PRO  48          1HD       PRO  48  -6.968   4.719   0.857
  364    H    LYS  49           H        LYS  49 -10.495   2.250   4.252
  365    HA   LYS  49           HA       LYS  49  -8.537   1.292   6.299
  366   1HB   LYS  49          2HB       LYS  49 -11.249   2.557   6.649
  367   2HB   LYS  49          1HB       LYS  49 -10.645   1.420   7.854
  368   1HG   LYS  49          2HG       LYS  49  -8.703   2.778   8.277
  369   2HG   LYS  49          1HG       LYS  49  -9.068   3.824   6.905
  370   1HD   LYS  49          2HD       LYS  49 -11.365   4.147   8.207
  371   2HD   LYS  49          1HD       LYS  49 -10.370   3.702   9.595
  372   1HE   LYS  49          2HE       LYS  49  -8.700   5.481   8.768
  373   2HE   LYS  49          1HE       LYS  49 -10.016   6.055   7.726
  374   1HZ   LYS  49          1HZ       LYS  49  -9.747   6.828  10.253
  375   2HZ   LYS  49          2HZ       LYS  49 -10.718   5.452  10.483
  376   3HZ   LYS  49          3HZ       LYS  49 -11.252   6.714   9.478
  377    H    GLY  50           H        GLY  50 -10.318  -0.409   7.649
  378   1HA   GLY  50          2HA       GLY  50 -11.837  -2.015   5.752
  379   2HA   GLY  50          1HA       GLY  50 -10.309  -2.768   6.210
  380    H    SER  51           H        SER  51 -11.702  -4.458   7.185
  381    HA   SER  51           HA       SER  51 -12.099  -3.963  10.040
  382   1HB   SER  51          2HB       SER  51 -14.509  -4.252  10.020
  383   2HB   SER  51          1HB       SER  51 -14.112  -2.973   8.875
  384    HG   SER  51           HG       SER  51 -15.505  -4.395   7.873
  385    H    VAL  52           H        VAL  52 -14.076  -6.172  10.208
  386    HA   VAL  52           HA       VAL  52 -12.333  -8.403  10.422
  387    HB   VAL  52           HB       VAL  52 -14.640  -7.948  11.442
  388   1HG1  VAL  52          1HG1      VAL  52 -16.540  -8.898  10.096
  389   2HG1  VAL  52          2HG1      VAL  52 -15.453  -8.979   8.709
  390   3HG1  VAL  52          3HG1      VAL  52 -15.864  -7.417   9.417
  391   1HG2  VAL  52          1HG2      VAL  52 -13.593 -10.519  10.371
  392   2HG2  VAL  52          2HG2      VAL  52 -15.259 -10.533  10.953
  393   3HG2  VAL  52          3HG2      VAL  52 -13.952 -10.056  12.035
  394    H    TYR  53           H        TYR  53 -13.897  -7.031   7.649
  395    HA   TYR  53           HA       TYR  53 -14.198  -9.273   5.940
  396   1HB   TYR  53          2HB       TYR  53 -14.425  -6.504   5.837
  397   2HB   TYR  53          1HB       TYR  53 -13.149  -6.848   4.670
  398    HD1  TYR  53           HD1      TYR  53 -13.943  -7.017   2.494
  399    HD2  TYR  53           HD2      TYR  53 -16.327  -8.562   5.716
  400    HE1  TYR  53           HE1      TYR  53 -15.640  -7.797   0.863
  401    HE2  TYR  53           HE2      TYR  53 -18.024  -9.342   4.085
  402    HH   TYR  53           HH       TYR  53 -18.128  -8.310   0.904
  403    H    GLY  54           H        GLY  54 -11.368  -7.089   6.264
  404   1HA   GLY  54          2HA       GLY  54  -9.167  -8.420   6.448
  405   2HA   GLY  54          1HA       GLY  54  -9.716  -9.218   4.972
  406    H    LEU  55           H        LEU  55  -9.083  -5.944   6.258
  407    HA   LEU  55           HA       LEU  55  -7.876  -5.254   3.611
  408   1HB   LEU  55          2HB       LEU  55 -10.366  -4.360   4.730
  409   2HB   LEU  55          1HB       LEU  55  -9.257  -2.990   4.661
  410    HG   LEU  55           HG       LEU  55  -8.765  -3.602   2.268
  411   1HD1  LEU  55          1HD1      LEU  55 -11.118  -5.056   1.673
  412   2HD1  LEU  55          2HD1      LEU  55 -10.359  -5.884   3.032
  413   3HD1  LEU  55          3HD1      LEU  55  -9.451  -5.620   1.544
  414   1HD2  LEU  55          1HD2      LEU  55 -10.244  -1.860   2.200
  415   2HD2  LEU  55          2HD2      LEU  55 -11.345  -2.621   3.348
  416   3HD2  LEU  55          3HD2      LEU  55 -11.374  -3.098   1.650
  417    H    TYR  56           H        TYR  56  -5.760  -5.166   4.469
  418    HA   TYR  56           HA       TYR  56  -5.242  -3.653   6.956
  419   1HB   TYR  56          2HB       TYR  56  -4.152  -5.853   5.727
  420   2HB   TYR  56          1HB       TYR  56  -3.009  -4.592   5.264
  421    HD1  TYR  56           HD1      TYR  56  -3.417  -2.808   7.714
  422    HD2  TYR  56           HD2      TYR  56  -2.773  -7.035   7.303
  423    HE1  TYR  56           HE1      TYR  56  -2.419  -2.877   9.984
  424    HE2  TYR  56           HE2      TYR  56  -1.775  -7.104   9.573
  425    HH   TYR  56           HH       TYR  56  -1.027  -4.199  11.339
  426    H    VAL  57           H        VAL  57  -5.351  -1.435   6.632
  427    HA   VAL  57           HA       VAL  57  -4.112  -0.291   4.165
  428    HB   VAL  57           HB       VAL  57  -5.993   0.777   6.291
  429   1HG1  VAL  57          1HG1      VAL  57  -5.584   2.875   5.575
  430   2HG1  VAL  57          2HG1      VAL  57  -5.761   2.388   3.890
  431   3HG1  VAL  57          3HG1      VAL  57  -4.197   2.238   4.692
  432   1HG2  VAL  57          1HG2      VAL  57  -6.381   0.216   3.331
  433   2HG2  VAL  57          2HG2      VAL  57  -7.616   0.791   4.451
  434   3HG2  VAL  57          3HG2      VAL  57  -6.943  -0.828   4.637
  435    H    LEU  58           H        LEU  58  -2.154   0.741   4.343
  436    HA   LEU  58           HA       LEU  58  -1.307   1.728   7.042
  437   1HB   LEU  58          2HB       LEU  58  -0.394  -0.563   5.763
  438   2HB   LEU  58          1HB       LEU  58   0.830   0.640   5.354
  439    HG   LEU  58           HG       LEU  58  -0.164   0.313   8.185
  440   1HD1  LEU  58          1HD1      LEU  58   0.727  -1.787   8.081
  441   2HD1  LEU  58          2HD1      LEU  58   2.263  -0.926   8.190
  442   3HD1  LEU  58          3HD1      LEU  58   1.645  -1.432   6.617
  443   1HD2  LEU  58          1HD2      LEU  58   2.286   1.495   6.854
  444   2HD2  LEU  58          2HD2      LEU  58   2.181   1.227   8.593
  445   3HD2  LEU  58          3HD2      LEU  58   1.065   2.341   7.803
  446    H    CYS  59           H        CYS  59  -1.487   3.935   6.514
  447    HA   CYS  59           HA       CYS  59  -0.294   4.930   3.989
  448   1HB   CYS  59          2HB       CYS  59  -1.653   6.415   6.257
  449   2HB   CYS  59          1HB       CYS  59  -1.429   6.979   4.600
  450    H    CYS  60           H        CYS  60   1.792   5.690   3.954
  451    HA   CYS  60           HA       CYS  60   2.976   6.673   6.530
  452   1HB   CYS  60          2HB       CYS  60   4.668   5.255   4.507
  453   2HB   CYS  60          1HB       CYS  60   4.844   5.317   6.255
  454    H    THR  61           H        THR  61   4.804   8.177   6.165
  455    HA   THR  61           HA       THR  61   5.067   9.314   3.459
  456    HB   THR  61           HB       THR  61   3.137  10.451   4.437
  457    HG1  THR  61           HG1      THR  61   3.866  12.440   4.059
  458   1HG2  THR  61          1HG2      THR  61   4.250   9.922   6.834
  459   2HG2  THR  61          2HG2      THR  61   3.029  11.174   6.606
  460   3HG2  THR  61          3HG2      THR  61   4.737  11.608   6.656
  461    H    THR  62           H        THR  62   7.141   8.016   4.515
  462    HA   THR  62           HA       THR  62   8.991  10.190   5.369
  463    HB   THR  62           HB       THR  62   9.196   7.567   6.766
  464    HG1  THR  62           HG1      THR  62   7.357   9.473   7.698
  465   1HG2  THR  62          1HG2      THR  62  10.666   8.899   7.840
  466   2HG2  THR  62          2HG2      THR  62   9.267   9.685   8.571
  467   3HG2  THR  62          3HG2      THR  62   9.989  10.354   7.108
  468    H    ASP  63           H        ASP  63   9.137   6.616   5.081
  469    HA   ASP  63           HA       ASP  63  11.073   6.919   2.827
  470   1HB   ASP  63          2HB       ASP  63  12.110   6.808   5.201
  471   2HB   ASP  63          1HB       ASP  63  11.604   5.118   5.193
  472    H    ASP  64           H        ASP  64  10.977   5.198   1.363
  473    HA   ASP  64           HA       ASP  64  10.079   3.278   0.306
  474   1HB   ASP  64          2HB       ASP  64  10.060   2.553   3.244
  475   2HB   ASP  64          1HB       ASP  64   9.624   1.394   1.987
  476    H    CYS  65           H        CYS  65   8.063   3.234   3.297
  477    HA   CYS  65           HA       CYS  65   5.634   2.905   1.720
  478   1HB   CYS  65          2HB       CYS  65   6.203   1.956   4.018
  479   2HB   CYS  65          1HB       CYS  65   5.968   3.582   4.657
  480    H    ASN  66           HN       ASN  66   7.530   5.575   2.364
  481    HA   ASN  66           HA       ASN  66   5.872   7.655   3.207
  482   1HB   ASN  66          2HB       ASN  66   7.340   9.002   1.555
  483   2HB   ASN  66          1HB       ASN  66   8.179   8.057   2.785
  484   1HD2  ASN  66          1HD2      ASN  66  10.081   7.836   1.376
  485   2HD2  ASN  66          2HD2      ASN  66  10.055   6.785   0.042
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  14.945   7.476  -0.234
    2   2H    MET   1          2H        MET   1  15.094   8.667   0.968
    3   3H    MET   1          3H        MET   1  14.433   9.062  -0.547
    4    HA   MET   1           HA       MET   1  13.150   7.016   1.161
    5   1HB   MET   1          2HB       MET   1  13.422   8.908   2.603
    6   2HB   MET   1          1HB       MET   1  13.059  10.038   1.298
    7   1HG   MET   1          2HG       MET   1  10.827   9.838   1.607
    8   2HG   MET   1          1HG       MET   1  10.923   8.081   1.730
    9   1HE   MET   1          1HE       MET   1   9.012   9.532   4.870
   10   2HE   MET   1          2HE       MET   1   8.957   8.178   3.744
   11   3HE   MET   1          3HE       MET   1   8.989   9.828   3.127
   12    H    LYS   2           H        LYS   2  12.071   6.031  -0.567
   13    HA   LYS   2           HA       LYS   2  10.311   7.816  -2.213
   14   1HB   LYS   2          2HB       LYS   2  12.128   5.546  -3.061
   15   2HB   LYS   2          1HB       LYS   2  10.869   6.201  -4.105
   16   1HG   LYS   2          2HG       LYS   2  12.098   8.029  -4.605
   17   2HG   LYS   2          1HG       LYS   2  12.514   8.299  -2.913
   18   1HD   LYS   2          2HD       LYS   2  13.805   6.060  -4.457
   19   2HD   LYS   2          1HD       LYS   2  14.427   7.705  -4.584
   20   1HE   LYS   2          2HE       LYS   2  13.963   7.114  -1.806
   21   2HE   LYS   2          1HE       LYS   2  14.962   5.831  -2.518
   22   1HZ   LYS   2          1HZ       LYS   2  16.444   7.560  -1.946
   23   2HZ   LYS   2          2HZ       LYS   2  15.432   8.759  -2.600
   24   3HZ   LYS   2          3HZ       LYS   2  16.241   7.672  -3.627
   25    H    CYS   3           H        CYS   3   8.613   6.337  -3.384
   26    HA   CYS   3           HA       CYS   3   7.519   4.466  -1.331
   27   1HB   CYS   3          2HB       CYS   3   6.454   6.211  -3.517
   28   2HB   CYS   3          1HB       CYS   3   5.496   4.817  -3.018
   29    H    LYS   4           H        LYS   4   8.153   2.384  -1.738
   30    HA   LYS   4           HA       LYS   4   8.580   1.446  -4.502
   31   1HB   LYS   4          2HB       LYS   4   9.600  -0.430  -3.417
   32   2HB   LYS   4          1HB       LYS   4  10.052   0.983  -2.465
   33   1HG   LYS   4          2HG       LYS   4   8.083   0.503  -0.963
   34   2HG   LYS   4          1HG       LYS   4   7.858  -1.010  -1.842
   35   1HD   LYS   4          2HD       LYS   4   9.809  -1.948  -1.010
   36   2HD   LYS   4          1HD       LYS   4  10.577  -0.382  -0.757
   37   1HE   LYS   4          2HE       LYS   4   8.747  -0.002   1.052
   38   2HE   LYS   4          1HE       LYS   4   8.515  -1.759   0.966
   39   1HZ   LYS   4          1HZ       LYS   4  10.937  -0.248   1.708
   40   2HZ   LYS   4          2HZ       LYS   4  11.076  -1.814   1.064
   41   3HZ   LYS   4          3HZ       LYS   4  10.213  -1.559   2.505
   42    H    ILE   5           H        ILE   5   6.928   0.520  -5.636
   43    HA   ILE   5           HA       ILE   5   4.531  -0.452  -4.153
   44    HB   ILE   5           HB       ILE   5   4.963  -0.006  -7.122
   45   1HG1  ILE   5          2HG1      ILE   5   3.996   1.892  -4.961
   46   2HG1  ILE   5          1HG1      ILE   5   5.428   2.086  -5.971
   47   1HG2  ILE   5          1HG2      ILE   5   2.321   0.528  -6.349
   48   2HG2  ILE   5          2HG2      ILE   5   2.764  -0.933  -5.467
   49   3HG2  ILE   5          3HG2      ILE   5   2.893  -0.892  -7.225
   50   1HD1  ILE   5          1HD1      ILE   5   3.647   1.856  -7.933
   51   2HD1  ILE   5          2HD1      ILE   5   3.935   3.409  -7.146
   52   3HD1  ILE   5          3HD1      ILE   5   2.542   2.429  -6.684
   53    H    CYS   6           H        CYS   6   4.653  -2.611  -3.673
   54    HA   CYS   6           HA       CYS   6   5.981  -4.448  -5.628
   55   1HB   CYS   6          2HB       CYS   6   5.382  -4.535  -2.662
   56   2HB   CYS   6          1HB       CYS   6   5.950  -5.951  -3.547
   57    H    ASN   7           H        ASN   7   4.824  -6.835  -5.001
   58    HA   ASN   7           HA       ASN   7   1.981  -6.844  -4.652
   59   1HB   ASN   7          2HB       ASN   7   2.992  -5.898  -7.172
   60   2HB   ASN   7          1HB       ASN   7   2.121  -7.409  -7.437
   61   1HD2  ASN   7          1HD2      ASN   7   0.862  -5.242  -8.501
   62   2HD2  ASN   7          2HD2      ASN   7  -0.452  -4.750  -7.547
   63    H    PHE   8           H        PHE   8   1.035  -8.963  -5.675
   64    HA   PHE   8           HA       PHE   8   1.128 -11.315  -5.812
   65   1HB   PHE   8          2HB       PHE   8   3.973 -10.690  -6.668
   66   2HB   PHE   8          1HB       PHE   8   3.070 -12.159  -7.036
   67    HD1  PHE   8           HD1      PHE   8   4.296 -10.275  -9.105
   68    HD2  PHE   8           HD2      PHE   8   0.386 -10.443  -7.333
   69    HE1  PHE   8           HE1      PHE   8   3.338  -9.185 -11.116
   70    HE2  PHE   8           HE2      PHE   8  -0.571  -9.353  -9.344
   71    HZ   PHE   8           HZ       PHE   8   0.904  -8.723 -11.236
   72    H    ASP   9           H        ASP   9   1.275 -10.625  -3.251
   73    HA   ASP   9           HA       ASP   9   2.131 -11.209  -1.125
   74   1HB   ASP   9          2HB       ASP   9   2.625 -13.480  -3.018
   75   2HB   ASP   9          1HB       ASP   9   3.245 -13.603  -1.371
   76    H    THR  10           H        THR  10   4.032  -9.820  -3.201
   77    HA   THR  10           HA       THR  10   6.334  -9.672  -1.480
   78    HB   THR  10           HB       THR  10   6.536 -12.003  -2.360
   79    HG1  THR  10           HG1      THR  10   8.577 -11.617  -2.224
   80   1HG2  THR  10          1HG2      THR  10   6.039 -10.569  -4.860
   81   2HG2  THR  10          2HG2      THR  10   5.858 -12.285  -4.496
   82   3HG2  THR  10          3HG2      THR  10   7.435 -11.643  -4.957
   83    H    CYS  11           H        CYS  11   8.300  -9.175  -3.480
   84    HA   CYS  11           HA       CYS  11   7.160  -6.715  -4.745
   85   1HB   CYS  11          2HB       CYS  11   9.879  -7.554  -3.727
   86   2HB   CYS  11          1HB       CYS  11   9.679  -6.134  -4.754
   87    H    ARG  12           H        ARG  12   6.431  -8.472  -6.447
   88    HA   ARG  12           HA       ARG  12   8.584  -9.444  -8.206
   89   1HB   ARG  12          2HB       ARG  12   5.622  -9.702  -7.912
   90   2HB   ARG  12          1HB       ARG  12   6.313 -10.033  -9.501
   91   1HG   ARG  12          2HG       ARG  12   7.972 -11.565  -8.325
   92   2HG   ARG  12          1HG       ARG  12   6.977 -11.390  -6.879
   93   1HD   ARG  12          2HD       ARG  12   5.400 -12.819  -7.682
   94   2HD   ARG  12          1HD       ARG  12   5.400 -12.037  -9.275
   95    HE   ARG  12           HE       ARG  12   7.488 -14.008  -8.417
   96   1HH1  ARG  12          1HH2      ARG  12   5.335 -15.057 -10.153
   97   2HH1  ARG  12          2HH2      ARG  12   5.985 -14.847 -11.744
   98   1HH2  ARG  12          2HH1      ARG  12   8.421 -12.593 -10.735
   99   2HH2  ARG  12          1HH1      ARG  12   7.734 -13.450 -12.074
  100    H    ALA  13           H        ALA  13   6.581  -6.661  -7.923
  101    HA   ALA  13           HA       ALA  13   6.925  -5.915 -10.785
  102   1HB   ALA  13          1HB       ALA  13   4.721  -5.671  -9.754
  103   2HB   ALA  13          2HB       ALA  13   5.372  -4.068 -10.094
  104   3HB   ALA  13          3HB       ALA  13   5.408  -4.704  -8.450
  105    H    GLY  14           H        GLY  14   7.829  -4.871  -7.511
  106   1HA   GLY  14          2HA       GLY  14   9.416  -3.304  -6.784
  107   2HA   GLY  14          1HA       GLY  14  10.317  -3.768  -8.228
  108    H    GLU  15           H        GLU  15   7.129  -2.189  -8.078
  109    HA   GLU  15           HA       GLU  15   8.123  -0.102  -9.923
  110   1HB   GLU  15          2HB       GLU  15   5.714  -1.474  -9.422
  111   2HB   GLU  15          1HB       GLU  15   5.404   0.198  -8.953
  112   1HG   GLU  15          2HG       GLU  15   4.910   0.214 -11.247
  113   2HG   GLU  15          1HG       GLU  15   6.576   0.793 -11.207
  114    H    LEU  16           H        LEU  16   9.580   0.893  -8.243
  115    HA   LEU  16           HA       LEU  16   8.156   2.325  -6.055
  116   1HB   LEU  16          2HB       LEU  16  10.126   1.094  -5.415
  117   2HB   LEU  16          1HB       LEU  16  11.055   1.783  -6.744
  118    HG   LEU  16           HG       LEU  16   9.843   3.771  -4.930
  119   1HD1  LEU  16          1HD1      LEU  16  11.461   1.549  -3.909
  120   2HD1  LEU  16          2HD1      LEU  16  10.526   2.754  -3.025
  121   3HD1  LEU  16          3HD1      LEU  16  12.164   3.129  -3.559
  122   1HD2  LEU  16          1HD2      LEU  16  11.765   3.743  -6.895
  123   2HD2  LEU  16          2HD2      LEU  16  12.750   3.705  -5.432
  124   3HD2  LEU  16          3HD2      LEU  16  11.596   5.015  -5.684
  125    H    LYS  17           H        LYS  17   8.067   4.571  -5.976
  126    HA   LYS  17           HA       LYS  17   9.473   6.155  -8.063
  127   1HB   LYS  17          2HB       LYS  17   6.898   5.258  -8.415
  128   2HB   LYS  17          1HB       LYS  17   6.623   6.830  -7.664
  129   1HG   LYS  17          2HG       LYS  17   7.474   7.987  -9.450
  130   2HG   LYS  17          1HG       LYS  17   8.669   6.743  -9.817
  131   1HD   LYS  17          2HD       LYS  17   7.331   5.954 -11.441
  132   2HD   LYS  17          1HD       LYS  17   6.099   5.592 -10.231
  133   1HE   LYS  17          2HE       LYS  17   5.076   7.080 -11.840
  134   2HE   LYS  17          1HE       LYS  17   5.408   8.057 -10.396
  135   1HZ   LYS  17          1HZ       LYS  17   6.235   8.880 -12.700
  136   2HZ   LYS  17          2HZ       LYS  17   7.484   7.754 -12.459
  137   3HZ   LYS  17          3HZ       LYS  17   7.251   9.018 -11.349
  138    H    VAL  18           H        VAL  18   7.710   8.460  -7.376
  139    HA   VAL  18           HA       VAL  18   8.296   8.868  -4.483
  140    HB   VAL  18           HB       VAL  18   9.151  10.884  -6.562
  141   1HG1  VAL  18          1HG1      VAL  18   9.036  11.609  -4.220
  142   2HG1  VAL  18          2HG1      VAL  18  10.718  11.525  -4.746
  143   3HG1  VAL  18          3HG1      VAL  18  10.044  10.246  -3.734
  144   1HG2  VAL  18          1HG2      VAL  18  10.588   8.395  -5.640
  145   2HG2  VAL  18          2HG2      VAL  18  11.491   9.822  -6.145
  146   3HG2  VAL  18          3HG2      VAL  18  10.409   9.017  -7.281
  147    H    CYS  19           H        CYS  19   6.968  10.516  -3.551
  148    HA   CYS  19           HA       CYS  19   5.261  12.231  -5.166
  149   1HB   CYS  19          2HB       CYS  19   3.183  11.062  -4.808
  150   2HB   CYS  19          1HB       CYS  19   4.331   9.879  -5.434
  151    H    ALA  20           H        ALA  20   3.106  12.233  -3.161
  152    HA   ALA  20           HA       ALA  20   2.633  13.444  -1.182
  153   1HB   ALA  20          1HB       ALA  20   4.534  11.285  -0.721
  154   2HB   ALA  20          2HB       ALA  20   3.154  11.777   0.259
  155   3HB   ALA  20          3HB       ALA  20   4.716  12.567   0.477
  156    H    SER  21           H        SER  21   4.665  14.582  -3.168
  157    HA   SER  21           HA       SER  21   6.865  15.859  -2.078
  158   1HB   SER  21          2HB       SER  21   5.444  16.000  -4.375
  159   2HB   SER  21          1HB       SER  21   4.984  17.543  -3.659
  160    HG   SER  21           HG       SER  21   6.936  18.254  -3.998
  161    H    GLY  22           H        GLY  22   3.469  16.561  -1.432
  162   1HA   GLY  22          2HA       GLY  22   3.816  17.757   1.057
  163   2HA   GLY  22          1HA       GLY  22   3.955  19.088  -0.093
  164    H    GLU  23           H        GLU  23   1.801  16.388   0.804
  165    HA   GLU  23           HA       GLU  23  -0.564  17.932   0.962
  166   1HB   GLU  23          2HB       GLU  23   0.432  17.372  -1.722
  167   2HB   GLU  23          1HB       GLU  23  -1.203  16.749  -1.497
  168   1HG   GLU  23          2HG       GLU  23  -1.112  19.317  -0.278
  169   2HG   GLU  23          1HG       GLU  23  -0.372  19.470  -1.872
  170    H    LYS  24           H        LYS  24   0.182  14.901  -0.806
  171    HA   LYS  24           HA       LYS  24  -1.659  13.467   1.074
  172   1HB   LYS  24          2HB       LYS  24  -1.748  11.830  -0.858
  173   2HB   LYS  24          1HB       LYS  24  -2.364  13.438  -1.242
  174   1HG   LYS  24          2HG       LYS  24   0.513  13.241  -1.685
  175   2HG   LYS  24          1HG       LYS  24  -0.386  12.068  -2.647
  176   1HD   LYS  24          2HD       LYS  24  -1.842  14.501  -2.762
  177   2HD   LYS  24          1HD       LYS  24  -0.149  14.905  -3.051
  178   1HE   LYS  24          2HE       LYS  24  -0.965  12.467  -4.464
  179   2HE   LYS  24          1HE       LYS  24  -1.890  13.898  -4.964
  180   1HZ   LYS  24          1HZ       LYS  24   0.118  13.891  -6.218
  181   2HZ   LYS  24          2HZ       LYS  24   1.063  13.621  -4.832
  182   3HZ   LYS  24          3HZ       LYS  24   0.271  15.108  -5.047
  183    H    TYR  25           H        TYR  25  -0.975  11.091   1.391
  184    HA   TYR  25           HA       TYR  25   2.012  10.916   1.648
  185   1HB   TYR  25          2HB       TYR  25   1.337   9.413   3.647
  186   2HB   TYR  25          1HB       TYR  25   1.101  11.150   3.827
  187    HD1  TYR  25           HD1      TYR  25  -0.931  11.799   4.749
  188    HD2  TYR  25           HD2      TYR  25  -0.765   8.233   2.357
  189    HE1  TYR  25           HE1      TYR  25  -3.349  11.423   5.142
  190    HE2  TYR  25           HE2      TYR  25  -3.185   7.859   2.749
  191    HH   TYR  25           HH       TYR  25  -4.864   8.927   5.017
  192    H    CYS  26           H        CYS  26   2.693   8.505   1.855
  193    HA   CYS  26           HA       CYS  26   1.662   7.059  -0.464
  194   1HB   CYS  26          2HB       CYS  26   4.028   7.241   0.914
  195   2HB   CYS  26          1HB       CYS  26   3.416   5.686   1.478
  196    H    PHE  27           H        PHE  27   0.229   5.320  -0.437
  197    HA   PHE  27           HA       PHE  27  -0.685   4.359   2.254
  198   1HB   PHE  27          2HB       PHE  27  -2.929   4.467   1.454
  199   2HB   PHE  27          1HB       PHE  27  -2.177   5.966   0.909
  200    HD1  PHE  27           HD1      PHE  27  -3.787   2.889  -0.100
  201    HD2  PHE  27           HD2      PHE  27  -1.281   6.099  -1.466
  202    HE1  PHE  27           HE1      PHE  27  -4.318   2.302  -2.450
  203    HE2  PHE  27           HE2      PHE  27  -1.811   5.512  -3.816
  204    HZ   PHE  27           HZ       PHE  27  -3.329   3.612  -4.309
  205    H    LYS  28           H        LYS  28  -0.957   2.146   2.461
  206    HA   LYS  28           HA       LYS  28  -0.638   0.443   0.019
  207   1HB   LYS  28          2HB       LYS  28   0.700  -0.055   2.693
  208   2HB   LYS  28          1HB       LYS  28   1.040  -0.849   1.156
  209   1HG   LYS  28          2HG       LYS  28   1.963   1.178   0.228
  210   2HG   LYS  28          1HG       LYS  28   1.433   2.117   1.625
  211   1HD   LYS  28          2HD       LYS  28   2.919   0.725   3.073
  212   2HD   LYS  28          1HD       LYS  28   3.511  -0.091   1.626
  213   1HE   LYS  28          2HE       LYS  28   4.680   1.779   0.883
  214   2HE   LYS  28          1HE       LYS  28   3.596   2.912   1.715
  215   1HZ   LYS  28          1HZ       LYS  28   5.878   2.446   2.764
  216   2HZ   LYS  28          2HZ       LYS  28   5.205   0.959   3.237
  217   3HZ   LYS  28          3HZ       LYS  28   4.515   2.416   3.772
  218    H    GLU  29           H        GLU  29  -2.541  -0.717  -0.047
  219    HA   GLU  29           HA       GLU  29  -3.741  -1.588   2.561
  220   1HB   GLU  29          2HB       GLU  29  -4.998  -1.206  -0.176
  221   2HB   GLU  29          1HB       GLU  29  -5.858  -1.543   1.327
  222   1HG   GLU  29          2HG       GLU  29  -4.769   0.595   2.243
  223   2HG   GLU  29          1HG       GLU  29  -4.338   0.958   0.571
  224    H    SER  30           H        SER  30  -4.343  -3.765   2.791
  225    HA   SER  30           HA       SER  30  -3.510  -5.618   0.580
  226   1HB   SER  30          2HB       SER  30  -2.058  -5.420   2.698
  227   2HB   SER  30          1HB       SER  30  -3.397  -6.179   3.554
  228    HG   SER  30           HG       SER  30  -2.089  -7.231   1.258
  229    H    TRP  31           H        TRP  31  -5.299  -6.673  -0.189
  230    HA   TRP  31           HA       TRP  31  -7.781  -6.771   1.387
  231   1HB   TRP  31          2HB       TRP  31  -7.182  -8.072  -1.278
  232   2HB   TRP  31          1HB       TRP  31  -8.736  -7.496  -0.678
  233    HD1  TRP  31           HD1      TRP  31  -6.378  -6.536  -3.126
  234    HE1  TRP  31           HE1      TRP  31  -6.312  -3.990  -3.521
  235    HE3  TRP  31           HE3      TRP  31  -8.789  -4.929   1.078
  236    HZ2  TRP  31           HZ2      TRP  31  -7.170  -1.588  -2.224
  237    HZ3  TRP  31           HZ3      TRP  31  -9.151  -2.509   1.473
  238    HH2  TRP  31           HH2      TRP  31  -8.346  -0.838  -0.171
  239    H    ARG  32           H        ARG  32  -8.656  -8.633   2.321
  240    HA   ARG  32           HA       ARG  32  -6.930 -11.088   2.259
  241   1HB   ARG  32          2HB       ARG  32  -8.266  -9.501   4.349
  242   2HB   ARG  32          1HB       ARG  32  -8.536 -11.238   4.500
  243   1HG   ARG  32          2HG       ARG  32  -6.183 -11.688   4.570
  244   2HG   ARG  32          1HG       ARG  32  -5.789 -10.035   4.099
  245   1HD   ARG  32          2HD       ARG  32  -5.596  -9.624   6.332
  246   2HD   ARG  32          1HD       ARG  32  -7.369  -9.699   6.372
  247    HE   ARG  32           HE       ARG  32  -5.621 -12.097   6.798
  248   1HH1  ARG  32          1HH2      ARG  32  -8.525 -12.574   6.203
  249   2HH1  ARG  32          2HH2      ARG  32  -9.209 -12.663   7.792
  250   1HH2  ARG  32          2HH1      ARG  32  -6.472 -11.202   9.340
  251   2HH2  ARG  32          1HH1      ARG  32  -8.047 -11.886   9.567
  252    H    GLU  33           H        GLU  33  -7.946 -12.450   0.784
  253    HA   GLU  33           HA       GLU  33 -10.927 -12.709   0.944
  254   1HB   GLU  33          2HB       GLU  33  -8.860 -13.253  -1.202
  255   2HB   GLU  33          1HB       GLU  33 -10.543 -13.754  -1.355
  256   1HG   GLU  33          2HG       GLU  33 -11.172 -11.673  -1.936
  257   2HG   GLU  33          1HG       GLU  33 -10.398 -10.995  -0.502
  258    H    ALA  34           H        ALA  34 -11.555 -15.093   0.187
  259    HA   ALA  34           HA       ALA  34 -10.347 -16.924   2.147
  260   1HB   ALA  34          1HB       ALA  34 -12.428 -17.602   0.074
  261   2HB   ALA  34          2HB       ALA  34 -12.838 -16.561   1.437
  262   3HB   ALA  34          3HB       ALA  34 -12.278 -18.209   1.723
  263    H    ARG  35           H        ARG  35 -10.136 -16.297  -1.279
  264    HA   ARG  35           HA       ARG  35  -8.964 -18.929  -1.912
  265   1HB   ARG  35          2HB       ARG  35 -10.327 -16.886  -3.255
  266   2HB   ARG  35          1HB       ARG  35  -8.683 -16.801  -3.888
  267   1HG   ARG  35          2HG       ARG  35  -9.002 -19.467  -3.947
  268   2HG   ARG  35          1HG       ARG  35 -10.692 -18.989  -4.120
  269   1HD   ARG  35          2HD       ARG  35  -9.812 -19.122  -6.356
  270   2HD   ARG  35          1HD       ARG  35  -9.880 -17.390  -5.974
  271    HE   ARG  35           HE       ARG  35  -7.409 -17.865  -5.128
  272   1HH1  ARG  35          1HH2      ARG  35  -7.255 -20.563  -6.347
  273   2HH1  ARG  35          2HH2      ARG  35  -6.600 -20.235  -7.916
  274   1HH2  ARG  35          2HH1      ARG  35  -7.329 -16.847  -7.804
  275   2HH2  ARG  35          1HH1      ARG  35  -6.641 -18.132  -8.741
  276    H    GLY  36           H        GLY  36  -7.870 -15.880  -0.765
  277   1HA   GLY  36          2HA       GLY  36  -5.227 -16.574  -0.297
  278   2HA   GLY  36          1HA       GLY  36  -5.216 -15.956  -1.950
  279    H    THR  37           H        THR  37  -3.958 -14.106  -1.295
  280    HA   THR  37           HA       THR  37  -5.618 -11.990   0.003
  281    HB   THR  37           HB       THR  37  -2.780 -12.803   0.713
  282    HG1  THR  37           HG1      THR  37  -3.683 -13.784   2.330
  283   1HG2  THR  37          1HG2      THR  37  -2.492 -10.762   1.605
  284   2HG2  THR  37          2HG2      THR  37  -3.999 -10.908   2.508
  285   3HG2  THR  37          3HG2      THR  37  -4.013 -10.263   0.866
  286    H    ARG  38           H        ARG  38  -5.263  -9.944  -0.893
  287    HA   ARG  38           HA       ARG  38  -3.180  -9.770  -3.050
  288   1HB   ARG  38          2HB       ARG  38  -6.002  -8.705  -2.793
  289   2HB   ARG  38          1HB       ARG  38  -4.882  -8.108  -4.018
  290   1HG   ARG  38          2HG       ARG  38  -5.054 -11.051  -3.837
  291   2HG   ARG  38          1HG       ARG  38  -6.534 -10.256  -4.376
  292   1HD   ARG  38          2HD       ARG  38  -5.582  -9.526  -6.342
  293   2HD   ARG  38          1HD       ARG  38  -3.983  -9.310  -5.604
  294    HE   ARG  38           HE       ARG  38  -4.689 -12.094  -5.583
  295   1HH1  ARG  38          2HH1      ARG  38  -2.574  -9.896  -6.887
  296   2HH1  ARG  38          1HH1      ARG  38  -2.290 -10.752  -8.366
  297   1HH2  ARG  38          1HH2      ARG  38  -4.825 -13.056  -7.828
  298   2HH2  ARG  38          2HH2      ARG  38  -3.565 -12.539  -8.899
  299    H    ILE  39           H        ILE  39  -2.487  -7.430  -3.441
  300    HA   ILE  39           HA       ILE  39  -2.848  -5.583  -1.164
  301    HB   ILE  39           HB       ILE  39  -1.072  -7.288  -0.567
  302   1HG1  ILE  39          2HG1      ILE  39  -0.123  -4.423  -0.895
  303   2HG1  ILE  39          1HG1      ILE  39  -1.132  -5.011   0.426
  304   1HG2  ILE  39          1HG2      ILE  39  -0.159  -7.558  -2.848
  305   2HG2  ILE  39          2HG2      ILE  39   1.102  -7.080  -1.711
  306   3HG2  ILE  39          3HG2      ILE  39   0.412  -5.890  -2.814
  307   1HD1  ILE  39          1HD1      ILE  39   1.100  -5.037   1.269
  308   2HD1  ILE  39          2HD1      ILE  39   1.725  -5.773  -0.207
  309   3HD1  ILE  39          3HD1      ILE  39   0.717  -6.716   0.891
  310    H    GLU  40           H        GLU  40  -2.087  -3.444  -1.664
  311    HA   GLU  40           HA       GLU  40  -0.839  -2.933  -4.293
  312   1HB   GLU  40          2HB       GLU  40  -3.688  -2.896  -3.796
  313   2HB   GLU  40          1HB       GLU  40  -3.135  -1.274  -4.218
  314   1HG   GLU  40          2HG       GLU  40  -2.088  -3.546  -5.845
  315   2HG   GLU  40          1HG       GLU  40  -3.768  -3.074  -6.097
  316    H    ARG  41           H        ARG  41   0.152  -0.866  -4.325
  317    HA   ARG  41           HA       ARG  41  -0.242   0.827  -1.880
  318   1HB   ARG  41          2HB       ARG  41   2.368   0.176  -3.283
  319   2HB   ARG  41          1HB       ARG  41   2.178   1.065  -1.772
  320   1HG   ARG  41          2HG       ARG  41   1.236  -0.923  -0.691
  321   2HG   ARG  41          1HG       ARG  41   1.352  -1.820  -2.204
  322   1HD   ARG  41          2HD       ARG  41   3.757  -1.744  -2.168
  323   2HD   ARG  41          1HD       ARG  41   3.756  -0.574  -0.834
  324    HE   ARG  41           HE       ARG  41   2.256  -2.858  -0.023
  325   1HH1  ARG  41          1HH2      ARG  41   5.328  -1.409  -0.051
  326   2HH1  ARG  41          2HH2      ARG  41   6.144  -2.758   0.670
  327   1HH2  ARG  41          2HH1      ARG  41   3.356  -4.821   0.594
  328   2HH2  ARG  41          1HH1      ARG  41   5.026  -4.690   1.036
  329    H    GLY  42           H        GLY  42   0.881   3.055  -2.294
  330   1HA   GLY  42          2HA       GLY  42   1.511   4.201  -4.710
  331   2HA   GLY  42          1HA       GLY  42  -0.253   4.159  -4.751
  332    H    CYS  43           H        CYS  43  -0.006   6.578  -4.756
  333    HA   CYS  43           HA       CYS  43   0.556   7.653  -2.013
  334   1HB   CYS  43          2HB       CYS  43   1.653   8.313  -4.428
  335   2HB   CYS  43          1HB       CYS  43   0.327   9.474  -4.339
  336    H    ALA  44           H        ALA  44  -1.272   8.206  -0.900
  337    HA   ALA  44           HA       ALA  44  -3.573   9.376  -2.402
  338   1HB   ALA  44          1HB       ALA  44  -5.068   7.843  -1.096
  339   2HB   ALA  44          2HB       ALA  44  -3.630   7.043  -0.460
  340   3HB   ALA  44          3HB       ALA  44  -3.985   6.976  -2.185
  341    H    ALA  45           H        ALA  45  -5.320   9.877  -0.453
  342    HA   ALA  45           HA       ALA  45  -3.789  11.154   1.787
  343   1HB   ALA  45          1HB       ALA  45  -4.808  12.466  -0.384
  344   2HB   ALA  45          2HB       ALA  45  -4.606  13.209   1.203
  345   3HB   ALA  45          3HB       ALA  45  -6.174  12.554   0.730
  346    H    THR  46           H        THR  46  -5.744   8.738   1.302
  347    HA   THR  46           HA       THR  46  -7.758   9.485   3.393
  348    HB   THR  46           HB       THR  46  -7.845   7.137   1.490
  349    HG1  THR  46           HG1      THR  46  -8.510   8.421  -0.055
  350   1HG2  THR  46          1HG2      THR  46  -9.899   6.813   2.352
  351   2HG2  THR  46          2HG2      THR  46 -10.322   8.513   2.146
  352   3HG2  THR  46          3HG2      THR  46  -9.471   7.985   3.598
  353    H    CYS  47           H        CYS  47  -5.990   6.571   2.256
  354    HA   CYS  47           HA       CYS  47  -5.081   4.771   3.494
  355   1HB   CYS  47          2HB       CYS  47  -3.733   6.798   4.196
  356   2HB   CYS  47          1HB       CYS  47  -4.799   6.943   5.593
  357    HA   PRO  48           HA       PRO  48  -9.020   4.736   6.106
  358   1HB   PRO  48          2HB       PRO  48 -10.553   3.153   4.483
  359   2HB   PRO  48          1HB       PRO  48 -10.536   4.925   4.368
  360   1HG   PRO  48          2HG       PRO  48  -9.154   2.905   2.678
  361   2HG   PRO  48          1HG       PRO  48  -9.918   4.433   2.214
  362   1HD   PRO  48          2HD       PRO  48  -7.217   4.107   2.487
  363   2HD   PRO  48          1HD       PRO  48  -8.051   5.662   2.698
  364    H    LYS  49           H        LYS  49  -9.927   2.708   7.110
  365    HA   LYS  49           HA       LYS  49  -7.893   0.520   7.038
  366   1HB   LYS  49          2HB       LYS  49 -10.044   1.280   9.043
  367   2HB   LYS  49          1HB       LYS  49  -8.844   0.007   9.272
  368   1HG   LYS  49          2HG       LYS  49  -7.035   1.593   9.237
  369   2HG   LYS  49          1HG       LYS  49  -8.111   2.893   8.723
  370   1HD   LYS  49          2HD       LYS  49  -9.242   1.813  11.083
  371   2HD   LYS  49          1HD       LYS  49  -7.517   2.001  11.400
  372   1HE   LYS  49          2HE       LYS  49  -8.670   4.295   9.965
  373   2HE   LYS  49          1HE       LYS  49  -9.371   4.044  11.577
  374   1HZ   LYS  49          1HZ       LYS  49  -6.499   3.658  11.350
  375   2HZ   LYS  49          2HZ       LYS  49  -7.401   4.378  12.597
  376   3HZ   LYS  49          3HZ       LYS  49  -7.034   5.259  11.191
  377    H    GLY  50           H        GLY  50  -9.361  -1.576   8.042
  378   1HA   GLY  50          2HA       GLY  50 -11.692  -1.895   6.212
  379   2HA   GLY  50          1HA       GLY  50 -10.405  -3.102   6.185
  380    H    SER  51           H        SER  51 -12.488  -4.397   6.790
  381    HA   SER  51           HA       SER  51 -12.266  -5.230   9.531
  382   1HB   SER  51          2HB       SER  51 -14.508  -4.331  10.259
  383   2HB   SER  51          1HB       SER  51 -13.300  -3.080   9.979
  384    HG   SER  51           HG       SER  51 -14.262  -2.580   8.071
  385    H    VAL  52           H        VAL  52 -14.673  -4.863   6.902
  386    HA   VAL  52           HA       VAL  52 -16.229  -7.156   7.367
  387    HB   VAL  52           HB       VAL  52 -15.323  -5.707   4.871
  388   1HG1  VAL  52          1HG1      VAL  52 -17.401  -6.918   3.875
  389   2HG1  VAL  52          2HG1      VAL  52 -17.153  -8.084   5.175
  390   3HG1  VAL  52          3HG1      VAL  52 -15.886  -7.813   3.980
  391   1HG2  VAL  52          1HG2      VAL  52 -18.017  -5.825   6.260
  392   2HG2  VAL  52          2HG2      VAL  52 -17.531  -4.720   4.974
  393   3HG2  VAL  52          3HG2      VAL  52 -16.810  -4.579   6.578
  394    H    TYR  53           H        TYR  53 -13.574  -6.998   4.957
  395    HA   TYR  53           HA       TYR  53 -13.258  -9.949   5.192
  396   1HB   TYR  53          2HB       TYR  53 -13.108  -7.941   3.141
  397   2HB   TYR  53          1HB       TYR  53 -11.550  -8.761   3.240
  398    HD1  TYR  53           HD1      TYR  53 -13.925  -8.873   1.091
  399    HD2  TYR  53           HD2      TYR  53 -12.569 -11.446   4.253
  400    HE1  TYR  53           HE1      TYR  53 -14.880 -10.831  -0.092
  401    HE2  TYR  53           HE2      TYR  53 -13.526 -13.404   3.069
  402    HH   TYR  53           HH       TYR  53 -15.668 -13.089   0.431
  403    H    GLY  54           H        GLY  54 -11.651  -6.949   5.975
  404   1HA   GLY  54          2HA       GLY  54  -9.903  -6.951   7.700
  405   2HA   GLY  54          1HA       GLY  54  -9.377  -8.524   7.097
  406    H    LEU  55           H        LEU  55  -9.628  -5.100   6.150
  407    HA   LEU  55           HA       LEU  55  -7.656  -5.520   3.980
  408   1HB   LEU  55          2HB       LEU  55  -8.891  -2.918   4.894
  409   2HB   LEU  55          1HB       LEU  55  -8.355  -3.364   3.274
  410    HG   LEU  55           HG       LEU  55 -10.738  -4.510   4.760
  411   1HD1  LEU  55          1HD1      LEU  55 -11.937  -2.925   3.709
  412   2HD1  LEU  55          2HD1      LEU  55 -11.269  -3.411   2.150
  413   3HD1  LEU  55          3HD1      LEU  55 -10.431  -2.210   3.134
  414   1HD2  LEU  55          1HD2      LEU  55  -9.108  -5.731   2.813
  415   2HD2  LEU  55          2HD2      LEU  55 -10.536  -5.172   1.944
  416   3HD2  LEU  55          3HD2      LEU  55 -10.712  -6.252   3.327
  417    H    TYR  56           H        TYR  56  -5.528  -5.512   4.604
  418    HA   TYR  56           HA       TYR  56  -4.623  -4.153   7.038
  419   1HB   TYR  56          2HB       TYR  56  -3.835  -6.308   5.525
  420   2HB   TYR  56          1HB       TYR  56  -2.665  -5.084   5.029
  421    HD1  TYR  56           HD1      TYR  56  -3.620  -7.406   7.605
  422    HD2  TYR  56           HD2      TYR  56  -1.417  -3.794   6.867
  423    HE1  TYR  56           HE1      TYR  56  -2.375  -7.732   9.726
  424    HE2  TYR  56           HE2      TYR  56  -0.173  -4.118   8.987
  425    HH   TYR  56           HH       TYR  56  -1.140  -6.194  11.386
  426    H    VAL  57           H        VAL  57  -4.824  -1.897   6.768
  427    HA   VAL  57           HA       VAL  57  -3.692  -0.663   4.303
  428    HB   VAL  57           HB       VAL  57  -4.880   1.340   5.195
  429   1HG1  VAL  57          1HG1      VAL  57  -6.430   0.319   3.877
  430   2HG1  VAL  57          2HG1      VAL  57  -7.196  -0.111   5.407
  431   3HG1  VAL  57          3HG1      VAL  57  -6.136  -1.264   4.596
  432   1HG2  VAL  57          1HG2      VAL  57  -4.551   0.183   7.633
  433   2HG2  VAL  57          2HG2      VAL  57  -6.215  -0.287   7.289
  434   3HG2  VAL  57          3HG2      VAL  57  -5.767   1.418   7.306
  435    H    LEU  58           H        LEU  58  -1.977   0.820   4.409
  436    HA   LEU  58           HA       LEU  58  -0.828   1.652   6.985
  437   1HB   LEU  58          2HB       LEU  58  -0.085  -0.738   6.512
  438   2HB   LEU  58          1HB       LEU  58   0.765  -0.110   5.100
  439    HG   LEU  58           HG       LEU  58   1.687   1.616   6.951
  440   1HD1  LEU  58          1HD1      LEU  58   0.283  -0.204   8.518
  441   2HD1  LEU  58          2HD1      LEU  58   1.533   0.902   9.091
  442   3HD1  LEU  58          3HD1      LEU  58   1.954  -0.752   8.647
  443   1HD2  LEU  58          1HD2      LEU  58   2.750  -1.191   6.485
  444   2HD2  LEU  58          2HD2      LEU  58   3.691   0.176   7.082
  445   3HD2  LEU  58          3HD2      LEU  58   3.041   0.201   5.443
  446    H    CYS  59           H        CYS  59  -0.307   3.768   6.536
  447    HA   CYS  59           HA       CYS  59   0.926   4.368   3.867
  448   1HB   CYS  59          2HB       CYS  59  -0.375   6.562   4.111
  449   2HB   CYS  59          1HB       CYS  59  -1.345   5.123   3.810
  450    H    CYS  60           H        CYS  60   2.338   6.291   3.895
  451    HA   CYS  60           HA       CYS  60   3.258   7.118   6.623
  452   1HB   CYS  60          2HB       CYS  60   4.578   5.226   5.324
  453   2HB   CYS  60          1HB       CYS  60   5.215   6.589   4.406
  454    H    THR  61           H        THR  61   4.226   9.231   6.659
  455    HA   THR  61           HA       THR  61   3.266  11.038   4.593
  456    HB   THR  61           HB       THR  61   4.165  12.733   6.118
  457    HG1  THR  61           HG1      THR  61   6.093  11.500   6.572
  458   1HG2  THR  61          1HG2      THR  61   2.173  12.168   7.082
  459   2HG2  THR  61          2HG2      THR  61   3.217  11.517   8.347
  460   3HG2  THR  61          3HG2      THR  61   2.559  10.447   7.109
  461    H    THR  62           H        THR  62   4.937  12.768   3.810
  462    HA   THR  62           HA       THR  62   6.861  13.256   2.539
  463    HB   THR  62           HB       THR  62   7.996  11.025   4.256
  464    HG1  THR  62           HG1      THR  62   6.956  13.160   5.087
  465   1HG2  THR  62          1HG2      THR  62   9.265  13.247   2.645
  466   2HG2  THR  62          2HG2      THR  62   9.496  11.510   2.442
  467   3HG2  THR  62          3HG2      THR  62  10.132  12.323   3.872
  468    H    ASP  63           H        ASP  63   7.142   9.700   3.017
  469    HA   ASP  63           HA       ASP  63   6.111   8.845   0.542
  470   1HB   ASP  63          2HB       ASP  63   8.569  10.372   0.368
  471   2HB   ASP  63          1HB       ASP  63   8.811   8.746  -0.270
  472    H    ASP  64           H        ASP  64   5.720   6.857   1.585
  473    HA   ASP  64           HA       ASP  64   6.262   4.663   2.313
  474   1HB   ASP  64          2HB       ASP  64   7.906   5.346   0.262
  475   2HB   ASP  64          1HB       ASP  64   9.094   4.978   1.512
  476    H    CYS  65           H        CYS  65   9.419   6.302   2.833
  477    HA   CYS  65           HA       CYS  65  10.440   6.947   4.898
  478   1HB   CYS  65          2HB       CYS  65   8.384   5.204   6.288
  479   2HB   CYS  65          1HB       CYS  65   9.389   6.459   6.998
  480    H    ASN  66           HN       ASN  66  11.066   4.806   3.120
  481    HA   ASN  66           HA       ASN  66  11.542   2.278   4.280
  482   1HB   ASN  66          2HB       ASN  66  12.885   3.996   2.199
  483   2HB   ASN  66          1HB       ASN  66  13.539   2.408   2.593
  484   1HD2  ASN  66          1HD2      ASN  66  11.035   4.068   0.854
  485   2HD2  ASN  66          2HD2      ASN  66  10.203   2.689   0.317
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  12.321  13.059  -3.301
    2   2H    MET   1          2H        MET   1  10.642  13.146  -3.543
    3   3H    MET   1          3H        MET   1  11.630  12.381  -4.694
    4    HA   MET   1           HA       MET   1  12.278  10.862  -2.676
    5   1HB   MET   1          2HB       MET   1   9.624  12.165  -2.005
    6   2HB   MET   1          1HB       MET   1  10.204  10.694  -1.221
    7   1HG   MET   1          2HG       MET   1  12.371  12.480  -1.125
    8   2HG   MET   1          1HG       MET   1  10.955  13.447  -0.713
    9   1HE   MET   1          1HE       MET   1   9.720  13.481   0.953
   10   2HE   MET   1          2HE       MET   1   9.953  12.759   2.544
   11   3HE   MET   1          3HE       MET   1   8.980  11.920   1.338
   12    H    LYS   2           H        LYS   2  11.155   8.725  -2.743
   13    HA   LYS   2           HA       LYS   2   9.152   8.454  -4.943
   14   1HB   LYS   2          2HB       LYS   2  11.615   6.713  -4.669
   15   2HB   LYS   2          1HB       LYS   2  10.519   6.826  -6.046
   16   1HG   LYS   2          2HG       LYS   2  11.255   9.082  -6.529
   17   2HG   LYS   2          1HG       LYS   2  12.218   9.130  -5.051
   18   1HD   LYS   2          2HD       LYS   2  13.956   8.304  -6.216
   19   2HD   LYS   2          1HD       LYS   2  13.041   6.813  -6.443
   20   1HE   LYS   2          2HE       LYS   2  12.618   7.295  -8.627
   21   2HE   LYS   2          1HE       LYS   2  12.194   8.977  -8.251
   22   1HZ   LYS   2          1HZ       LYS   2  14.978   8.219  -7.868
   23   2HZ   LYS   2          2HZ       LYS   2  14.320   9.669  -8.459
   24   3HZ   LYS   2          3HZ       LYS   2  14.452   8.315  -9.478
   25    H    CYS   3           H        CYS   3   8.039   6.339  -4.858
   26    HA   CYS   3           HA       CYS   3   8.183   5.051  -2.148
   27   1HB   CYS   3          2HB       CYS   3   6.219   6.580  -2.648
   28   2HB   CYS   3          1HB       CYS   3   5.743   5.446  -3.908
   29    H    LYS   4           H        LYS   4   9.101   3.068  -2.529
   30    HA   LYS   4           HA       LYS   4   8.825   1.660  -5.074
   31   1HB   LYS   4          2HB       LYS   4  10.890   1.442  -3.944
   32   2HB   LYS   4          1HB       LYS   4  10.106   1.168  -2.389
   33   1HG   LYS   4          2HG       LYS   4   9.517  -0.789  -4.558
   34   2HG   LYS   4          1HG       LYS   4  11.128  -0.847  -3.842
   35   1HD   LYS   4          2HD       LYS   4   9.726  -0.679  -1.577
   36   2HD   LYS   4          1HD       LYS   4   8.475  -1.404  -2.588
   37   1HE   LYS   4          2HE       LYS   4   9.928  -3.279  -3.142
   38   2HE   LYS   4          1HE       LYS   4  11.286  -2.522  -2.285
   39   1HZ   LYS   4          1HZ       LYS   4   8.707  -3.428  -1.125
   40   2HZ   LYS   4          2HZ       LYS   4   9.823  -2.460  -0.286
   41   3HZ   LYS   4          3HZ       LYS   4  10.254  -4.028  -0.777
   42    H    ILE   5           H        ILE   5   7.450  -0.058  -5.519
   43    HA   ILE   5           HA       ILE   5   5.815  -1.175  -3.279
   44    HB   ILE   5           HB       ILE   5   4.924   0.102  -5.870
   45   1HG1  ILE   5          2HG1      ILE   5   3.261   1.083  -4.099
   46   2HG1  ILE   5          1HG1      ILE   5   4.448   0.513  -2.925
   47   1HG2  ILE   5          1HG2      ILE   5   2.662  -0.779  -5.393
   48   2HG2  ILE   5          2HG2      ILE   5   3.313  -1.708  -4.042
   49   3HG2  ILE   5          3HG2      ILE   5   3.806  -2.088  -5.693
   50   1HD1  ILE   5          1HD1      ILE   5   4.555   2.853  -4.620
   51   2HD1  ILE   5          2HD1      ILE   5   5.932   1.801  -4.947
   52   3HD1  ILE   5          3HD1      ILE   5   5.638   2.384  -3.308
   53    H    CYS   6           H        CYS   6   4.912  -3.292  -3.792
   54    HA   CYS   6           HA       CYS   6   5.653  -4.660  -6.281
   55   1HB   CYS   6          2HB       CYS   6   7.314  -4.676  -3.861
   56   2HB   CYS   6          1HB       CYS   6   6.923  -6.289  -4.437
   57    H    ASN   7           H        ASN   7   4.899  -6.977  -6.193
   58    HA   ASN   7           HA       ASN   7   2.277  -7.289  -5.244
   59   1HB   ASN   7          2HB       ASN   7   4.516  -9.155  -6.002
   60   2HB   ASN   7          1HB       ASN   7   2.961  -9.803  -5.481
   61   1HD2  ASN   7          1HD2      ASN   7   4.575  -9.125  -8.252
   62   2HD2  ASN   7          2HD2      ASN   7   3.283  -8.679  -9.257
   63    H    PHE   8           H        PHE   8   2.118  -9.645  -3.796
   64    HA   PHE   8           HA       PHE   8   2.464  -8.742  -1.080
   65   1HB   PHE   8          2HB       PHE   8   0.656 -10.192  -1.627
   66   2HB   PHE   8          1HB       PHE   8   1.724 -11.341  -2.433
   67    HD1  PHE   8           HD1      PHE   8   1.979  -9.618   0.886
   68    HD2  PHE   8           HD2      PHE   8   1.675 -13.346  -1.225
   69    HE1  PHE   8           HE1      PHE   8   2.271 -10.849   3.018
   70    HE2  PHE   8           HE2      PHE   8   1.966 -14.577   0.907
   71    HZ   PHE   8           HZ       PHE   8   2.265 -13.330   3.029
   72    H    ASP   9           H        ASP   9   4.839  -8.329  -1.068
   73    HA   ASP   9           HA       ASP   9   7.056  -8.946  -0.534
   74   1HB   ASP   9          2HB       ASP   9   5.592 -11.408   0.466
   75   2HB   ASP   9          1HB       ASP   9   7.147 -10.805   1.041
   76    H    THR  10           H        THR  10   5.622 -10.111  -3.101
   77    HA   THR  10           HA       THR  10   7.631 -12.279  -3.617
   78    HB   THR  10           HB       THR  10   5.158 -12.828  -3.618
   79    HG1  THR  10           HG1      THR  10   5.675 -14.256  -5.049
   80   1HG2  THR  10          1HG2      THR  10   4.573 -10.556  -4.635
   81   2HG2  THR  10          2HG2      THR  10   3.737 -11.952  -5.315
   82   3HG2  THR  10          3HG2      THR  10   5.094 -11.229  -6.179
   83    H    CYS  11           H        CYS  11   7.700  -9.207  -3.936
   84    HA   CYS  11           HA       CYS  11   8.811  -9.226  -6.690
   85   1HB   CYS  11          2HB       CYS  11   6.573  -8.543  -7.084
   86   2HB   CYS  11          1HB       CYS  11   6.539  -7.556  -5.629
   87    H    ARG  12           H        ARG  12  10.764  -8.192  -6.631
   88    HA   ARG  12           HA       ARG  12  11.586  -6.721  -4.227
   89   1HB   ARG  12          2HB       ARG  12  12.993  -7.126  -6.888
   90   2HB   ARG  12          1HB       ARG  12  13.748  -6.746  -5.338
   91   1HG   ARG  12          2HG       ARG  12  12.566  -8.944  -4.529
   92   2HG   ARG  12          1HG       ARG  12  12.502  -9.324  -6.250
   93   1HD   ARG  12          2HD       ARG  12  15.006  -8.844  -6.337
   94   2HD   ARG  12          1HD       ARG  12  14.969  -8.814  -4.562
   95    HE   ARG  12           HE       ARG  12  14.165 -11.177  -6.214
   96   1HH1  ARG  12          1HH2      ARG  12  13.045 -10.981  -3.407
   97   2HH1  ARG  12          2HH2      ARG  12  14.209 -11.895  -2.506
   98   1HH2  ARG  12          2HH1      ARG  12  16.611 -11.802  -5.008
   99   2HH2  ARG  12          1HH1      ARG  12  16.228 -12.359  -3.413
  100    H    ALA  13           H        ALA  13  12.197  -4.482  -4.233
  101    HA   ALA  13           HA       ALA  13  10.666  -2.471  -5.064
  102   1HB   ALA  13          1HB       ALA  13  13.671  -2.710  -5.188
  103   2HB   ALA  13          2HB       ALA  13  12.680  -1.971  -3.929
  104   3HB   ALA  13          3HB       ALA  13  12.864  -1.170  -5.490
  105    H    GLY  14           H        GLY  14   9.516  -3.063  -7.021
  106   1HA   GLY  14          2HA       GLY  14  11.067  -2.461  -9.506
  107   2HA   GLY  14          1HA       GLY  14   9.851  -3.739  -9.467
  108    H    GLU  15           H        GLU  15   8.091  -2.103  -7.667
  109    HA   GLU  15           HA       GLU  15   6.976  -0.343  -9.816
  110   1HB   GLU  15          2HB       GLU  15   5.921  -2.344  -8.154
  111   2HB   GLU  15          1HB       GLU  15   5.309  -0.834  -7.475
  112   1HG   GLU  15          2HG       GLU  15   4.134  -0.284  -9.397
  113   2HG   GLU  15          1HG       GLU  15   5.213  -1.203 -10.446
  114    H    LEU  16           H        LEU  16   8.850   1.162  -8.951
  115    HA   LEU  16           HA       LEU  16   8.025   2.581  -6.463
  116   1HB   LEU  16          2HB       LEU  16  10.303   1.921  -6.436
  117   2HB   LEU  16          1HB       LEU  16  10.539   2.383  -8.122
  118    HG   LEU  16           HG       LEU  16   9.630   4.633  -6.506
  119   1HD1  LEU  16          1HD1      LEU  16  12.263   3.312  -5.775
  120   2HD1  LEU  16          2HD1      LEU  16  10.855   3.445  -4.723
  121   3HD1  LEU  16          3HD1      LEU  16  11.724   4.897  -5.219
  122   1HD2  LEU  16          1HD2      LEU  16  12.211   5.081  -7.516
  123   2HD2  LEU  16          2HD2      LEU  16  10.690   5.526  -8.289
  124   3HD2  LEU  16          3HD2      LEU  16  11.458   3.986  -8.675
  125    H    LYS  17           H        LYS  17   7.325   4.706  -6.536
  126    HA   LYS  17           HA       LYS  17   7.477   6.150  -9.154
  127   1HB   LYS  17          2HB       LYS  17   5.132   5.261  -7.543
  128   2HB   LYS  17          1HB       LYS  17   5.030   6.866  -8.270
  129   1HG   LYS  17          2HG       LYS  17   6.103   4.896 -10.134
  130   2HG   LYS  17          1HG       LYS  17   4.498   4.450  -9.555
  131   1HD   LYS  17          2HD       LYS  17   3.825   6.881 -10.060
  132   2HD   LYS  17          1HD       LYS  17   5.332   6.985 -10.970
  133   1HE   LYS  17          2HE       LYS  17   3.923   4.549 -11.670
  134   2HE   LYS  17          1HE       LYS  17   2.880   5.964 -11.913
  135   1HZ   LYS  17          1HZ       LYS  17   5.647   5.588 -12.928
  136   2HZ   LYS  17          2HZ       LYS  17   4.804   7.061 -13.000
  137   3HZ   LYS  17          3HZ       LYS  17   4.231   5.708 -13.853
  138    H    VAL  18           H        VAL  18   6.074   8.436  -8.328
  139    HA   VAL  18           HA       VAL  18   7.634   9.392  -5.955
  140    HB   VAL  18           HB       VAL  18   7.739  11.556  -7.360
  141   1HG1  VAL  18          1HG1      VAL  18   9.528  10.310  -8.924
  142   2HG1  VAL  18          2HG1      VAL  18   9.226   9.006  -7.775
  143   3HG1  VAL  18          3HG1      VAL  18   9.814  10.567  -7.203
  144   1HG2  VAL  18          1HG2      VAL  18   6.027  10.905  -9.007
  145   2HG2  VAL  18          2HG2      VAL  18   7.022   9.538  -9.509
  146   3HG2  VAL  18          3HG2      VAL  18   7.574  11.187  -9.806
  147    H    CYS  19           H        CYS  19   6.537  10.911  -4.645
  148    HA   CYS  19           HA       CYS  19   4.074  12.218  -5.382
  149   1HB   CYS  19          2HB       CYS  19   3.142  10.007  -5.361
  150   2HB   CYS  19          1HB       CYS  19   3.982   9.599  -3.863
  151    H    ALA  20           H        ALA  20   6.022  10.835  -2.746
  152    HA   ALA  20           HA       ALA  20   5.063  12.485  -0.621
  153   1HB   ALA  20          1HB       ALA  20   7.802  11.272  -1.126
  154   2HB   ALA  20          2HB       ALA  20   6.433  10.433  -0.396
  155   3HB   ALA  20          3HB       ALA  20   7.185  11.791   0.443
  156    H    SER  21           H        SER  21   4.886  14.614  -1.747
  157    HA   SER  21           HA       SER  21   7.535  16.017  -1.924
  158   1HB   SER  21          2HB       SER  21   4.943  16.417  -3.451
  159   2HB   SER  21          1HB       SER  21   6.365  17.443  -3.618
  160    HG   SER  21           HG       SER  21   5.842  15.134  -4.816
  161    H    GLY  22           H        GLY  22   4.113  16.267  -0.992
  162   1HA   GLY  22          2HA       GLY  22   4.886  18.450   0.888
  163   2HA   GLY  22          1HA       GLY  22   3.464  18.644  -0.139
  164    H    GLU  23           H        GLU  23   1.581  17.433   0.341
  165    HA   GLU  23           HA       GLU  23   1.650  16.034   2.994
  166   1HB   GLU  23          2HB       GLU  23  -0.747  16.794   3.100
  167   2HB   GLU  23          1HB       GLU  23   0.407  18.125   3.015
  168   1HG   GLU  23          2HG       GLU  23  -0.547  17.082   0.407
  169   2HG   GLU  23          1HG       GLU  23  -1.750  17.928   1.381
  170    H    LYS  24           H        LYS  24   2.246  14.103   1.529
  171    HA   LYS  24           HA       LYS  24  -0.256  12.677   0.802
  172   1HB   LYS  24          2HB       LYS  24   2.086  13.205  -1.058
  173   2HB   LYS  24          1HB       LYS  24   0.763  12.096  -1.417
  174   1HG   LYS  24          2HG       LYS  24  -0.846  13.978  -1.165
  175   2HG   LYS  24          1HG       LYS  24   0.512  15.074  -0.906
  176   1HD   LYS  24          2HD       LYS  24   1.418  14.235  -3.154
  177   2HD   LYS  24          1HD       LYS  24  -0.176  13.524  -3.408
  178   1HE   LYS  24          2HE       LYS  24  -0.458  15.632  -4.396
  179   2HE   LYS  24          1HE       LYS  24  -1.007  15.962  -2.741
  180   1HZ   LYS  24          1HZ       LYS  24   0.675  17.567  -3.453
  181   2HZ   LYS  24          2HZ       LYS  24   1.776  16.304  -3.731
  182   3HZ   LYS  24          3HZ       LYS  24   1.233  16.630  -2.155
  183    H    TYR  25           H        TYR  25  -0.057  10.740   1.874
  184    HA   TYR  25           HA       TYR  25   2.687   9.623   2.294
  185   1HB   TYR  25          2HB       TYR  25   0.073   8.943   3.669
  186   2HB   TYR  25          1HB       TYR  25   1.701   8.556   4.219
  187    HD1  TYR  25           HD1      TYR  25   3.015  11.197   3.503
  188    HD2  TYR  25           HD2      TYR  25  -0.669  10.284   5.513
  189    HE1  TYR  25           HE1      TYR  25   3.132  13.368   4.696
  190    HE2  TYR  25           HE2      TYR  25  -0.553  12.456   6.708
  191    HH   TYR  25           HH       TYR  25   0.504  14.425   6.843
  192    H    CYS  26           H        CYS  26   3.102   7.453   1.686
  193    HA   CYS  26           HA       CYS  26   1.467   6.353  -0.453
  194   1HB   CYS  26          2HB       CYS  26   4.075   6.052   0.679
  195   2HB   CYS  26          1HB       CYS  26   3.316   4.460   0.672
  196    H    PHE  27           H        PHE  27  -0.384   5.193  -0.095
  197    HA   PHE  27           HA       PHE  27  -0.850   4.034   2.602
  198   1HB   PHE  27          2HB       PHE  27  -3.173   4.000   1.874
  199   2HB   PHE  27          1HB       PHE  27  -2.478   5.568   1.470
  200    HD1  PHE  27           HD1      PHE  27  -3.504   2.278   0.105
  201    HD2  PHE  27           HD2      PHE  27  -2.167   6.255  -0.817
  202    HE1  PHE  27           HE1      PHE  27  -4.078   1.919  -2.280
  203    HE2  PHE  27           HE2      PHE  27  -2.742   5.895  -3.202
  204    HZ   PHE  27           HZ       PHE  27  -3.698   3.727  -3.933
  205    H    LYS  28           H        LYS  28  -0.761   1.864   2.944
  206    HA   LYS  28           HA       LYS  28  -0.489   0.065   0.565
  207   1HB   LYS  28          2HB       LYS  28   1.332   0.371   2.374
  208   2HB   LYS  28          1HB       LYS  28   0.244  -0.516   3.441
  209   1HG   LYS  28          2HG       LYS  28   0.795  -1.683   0.748
  210   2HG   LYS  28          1HG       LYS  28   2.072  -1.780   1.961
  211   1HD   LYS  28          2HD       LYS  28  -0.284  -2.469   3.326
  212   2HD   LYS  28          1HD       LYS  28  -0.389  -3.306   1.777
  213   1HE   LYS  28          2HE       LYS  28   0.860  -4.854   2.996
  214   2HE   LYS  28          1HE       LYS  28   2.174  -3.866   2.328
  215   1HZ   LYS  28          1HZ       LYS  28   1.979  -4.245   4.900
  216   2HZ   LYS  28          2HZ       LYS  28   0.857  -2.973   4.792
  217   3HZ   LYS  28          3HZ       LYS  28   2.461  -2.742   4.281
  218    H    GLU  29           H        GLU  29  -2.433  -0.931   0.138
  219    HA   GLU  29           HA       GLU  29  -4.193  -1.640   2.457
  220   1HB   GLU  29          2HB       GLU  29  -4.566  -0.405  -0.124
  221   2HB   GLU  29          1HB       GLU  29  -5.545  -1.868  -0.022
  222   1HG   GLU  29          2HG       GLU  29  -5.817  -0.608   2.481
  223   2HG   GLU  29          1HG       GLU  29  -5.950   0.682   1.285
  224    H    SER  30           H        SER  30  -4.692  -3.789   2.785
  225    HA   SER  30           HA       SER  30  -3.785  -5.758   0.708
  226   1HB   SER  30          2HB       SER  30  -2.258  -6.109   2.410
  227   2HB   SER  30          1HB       SER  30  -3.349  -5.505   3.650
  228    HG   SER  30           HG       SER  30  -2.856  -7.929   3.356
  229    H    TRP  31           H        TRP  31  -5.638  -6.643  -0.140
  230    HA   TRP  31           HA       TRP  31  -8.089  -6.844   1.504
  231   1HB   TRP  31          2HB       TRP  31  -7.370  -6.518  -1.235
  232   2HB   TRP  31          1HB       TRP  31  -8.280  -8.025  -1.109
  233    HD1  TRP  31           HD1      TRP  31 -10.536  -7.651   0.701
  234    HE1  TRP  31           HE1      TRP  31 -12.307  -5.791   0.489
  235    HE3  TRP  31           HE3      TRP  31  -7.945  -4.283  -2.133
  236    HZ2  TRP  31           HZ2      TRP  31 -12.589  -3.216  -0.722
  237    HZ3  TRP  31           HZ3      TRP  31  -8.989  -2.136  -2.800
  238    HH2  TRP  31           HH2      TRP  31 -11.305  -1.599  -2.099
  239    H    ARG  32           H        ARG  32  -8.357  -8.656   2.742
  240    HA   ARG  32           HA       ARG  32  -6.891 -11.141   2.088
  241   1HB   ARG  32          2HB       ARG  32  -8.023  -9.795   4.388
  242   2HB   ARG  32          1HB       ARG  32  -8.587 -11.465   4.323
  243   1HG   ARG  32          2HG       ARG  32  -6.153 -12.129   3.926
  244   2HG   ARG  32          1HG       ARG  32  -5.730 -10.475   4.373
  245   1HD   ARG  32          2HD       ARG  32  -7.571 -11.939   6.216
  246   2HD   ARG  32          1HD       ARG  32  -5.861 -12.417   6.218
  247    HE   ARG  32           HE       ARG  32  -5.544  -9.769   6.333
  248   1HH1  ARG  32          1HH2      ARG  32  -8.587  -9.818   7.053
  249   2HH1  ARG  32          2HH2      ARG  32  -8.484  -9.623   8.771
  250   1HH2  ARG  32          2HH1      ARG  32  -5.096 -10.353   8.917
  251   2HH2  ARG  32          1HH1      ARG  32  -6.507  -9.925   9.826
  252    H    GLU  33           H        GLU  33  -8.131 -11.696   0.128
  253    HA   GLU  33           HA       GLU  33 -10.967 -12.000   0.036
  254   1HB   GLU  33          2HB       GLU  33  -8.573 -12.741  -1.485
  255   2HB   GLU  33          1HB       GLU  33  -9.878 -13.916  -1.655
  256   1HG   GLU  33          2HG       GLU  33 -10.969 -12.528  -3.044
  257   2HG   GLU  33          1HG       GLU  33 -11.010 -11.290  -1.789
  258    H    ALA  34           H        ALA  34 -12.299 -13.673   0.720
  259    HA   ALA  34           HA       ALA  34 -11.628 -15.423   2.795
  260   1HB   ALA  34          1HB       ALA  34 -13.868 -15.587   2.550
  261   2HB   ALA  34          2HB       ALA  34 -13.586 -16.701   1.212
  262   3HB   ALA  34          3HB       ALA  34 -13.771 -14.975   0.899
  263    H    ARG  35           H        ARG  35 -11.232 -15.891  -0.692
  264    HA   ARG  35           HA       ARG  35  -9.898 -18.519  -0.118
  265   1HB   ARG  35          2HB       ARG  35 -11.704 -17.527  -2.319
  266   2HB   ARG  35          1HB       ARG  35 -10.625 -18.893  -2.601
  267   1HG   ARG  35          2HG       ARG  35 -12.020 -20.272  -1.499
  268   2HG   ARG  35          1HG       ARG  35 -11.958 -19.238  -0.071
  269   1HD   ARG  35          2HD       ARG  35 -13.928 -18.166  -0.601
  270   2HD   ARG  35          1HD       ARG  35 -13.630 -18.270  -2.348
  271    HE   ARG  35           HE       ARG  35 -14.368 -20.683  -0.732
  272   1HH1  ARG  35          2HH1      ARG  35 -13.552 -20.802  -3.680
  273   2HH1  ARG  35          1HH1      ARG  35 -15.104 -20.879  -4.446
  274   1HH2  ARG  35          1HH2      ARG  35 -16.843 -19.849  -1.631
  275   2HH2  ARG  35          2HH2      ARG  35 -16.966 -20.341  -3.288
  276    H    GLY  36           H        GLY  36  -8.612 -15.872  -0.122
  277   1HA   GLY  36          2HA       GLY  36  -6.240 -16.336  -1.472
  278   2HA   GLY  36          1HA       GLY  36  -7.251 -15.529  -2.671
  279    H    THR  37           H        THR  37  -5.437 -13.865  -2.404
  280    HA   THR  37           HA       THR  37  -6.380 -11.766  -0.559
  281    HB   THR  37           HB       THR  37  -3.549 -12.840  -0.406
  282    HG1  THR  37           HG1      THR  37  -4.185 -13.962   1.342
  283   1HG2  THR  37          1HG2      THR  37  -5.017 -11.096   1.570
  284   2HG2  THR  37          2HG2      THR  37  -4.111 -10.411   0.221
  285   3HG2  THR  37          3HG2      THR  37  -3.281 -11.378   1.440
  286    H    ARG  38           H        ARG  38  -5.598  -9.682  -1.187
  287    HA   ARG  38           HA       ARG  38  -3.822  -9.580  -3.592
  288   1HB   ARG  38          2HB       ARG  38  -6.677  -8.952  -3.318
  289   2HB   ARG  38          1HB       ARG  38  -5.745  -7.622  -4.006
  290   1HG   ARG  38          2HG       ARG  38  -5.244 -10.386  -5.040
  291   2HG   ARG  38          1HG       ARG  38  -6.711  -9.552  -5.556
  292   1HD   ARG  38          2HD       ARG  38  -4.182  -7.970  -5.652
  293   2HD   ARG  38          1HD       ARG  38  -4.384  -9.244  -6.871
  294    HE   ARG  38           HE       ARG  38  -6.292  -8.083  -7.729
  295   1HH1  ARG  38          1HH2      ARG  38  -4.780  -5.603  -7.364
  296   2HH1  ARG  38          2HH2      ARG  38  -5.827  -4.636  -6.379
  297   1HH2  ARG  38          2HH1      ARG  38  -7.776  -7.316  -5.358
  298   2HH2  ARG  38          1HH1      ARG  38  -7.524  -5.606  -5.243
  299    H    ILE  39           H        ILE  39  -2.201  -8.126  -3.173
  300    HA   ILE  39           HA       ILE  39  -2.651  -6.074  -1.048
  301    HB   ILE  39           HB       ILE  39  -0.788  -7.840  -1.006
  302   1HG1  ILE  39          2HG1      ILE  39  -0.116  -4.884  -0.893
  303   2HG1  ILE  39          1HG1      ILE  39  -0.697  -5.884   0.438
  304   1HG2  ILE  39          1HG2      ILE  39   1.052  -7.627  -2.457
  305   2HG2  ILE  39          2HG2      ILE  39   0.601  -5.990  -2.937
  306   3HG2  ILE  39          3HG2      ILE  39  -0.329  -7.368  -3.525
  307   1HD1  ILE  39          1HD1      ILE  39   1.331  -7.223   0.385
  308   2HD1  ILE  39          2HD1      ILE  39   1.780  -5.521   0.494
  309   3HD1  ILE  39          3HD1      ILE  39   1.900  -6.369  -1.048
  310    H    GLU  40           H        GLU  40  -2.777  -3.944  -1.641
  311    HA   GLU  40           HA       GLU  40  -1.720  -3.148  -4.332
  312   1HB   GLU  40          2HB       GLU  40  -4.248  -3.528  -4.116
  313   2HB   GLU  40          1HB       GLU  40  -4.264  -2.124  -3.049
  314   1HG   GLU  40          2HG       GLU  40  -3.589  -0.657  -4.763
  315   2HG   GLU  40          1HG       GLU  40  -2.983  -1.971  -5.772
  316    H    ARG  41           H        ARG  41  -0.703  -1.116  -4.358
  317    HA   ARG  41           HA       ARG  41  -0.674   0.403  -1.770
  318   1HB   ARG  41          2HB       ARG  41   1.481  -0.715  -3.500
  319   2HB   ARG  41          1HB       ARG  41   1.783   0.867  -2.781
  320   1HG   ARG  41          2HG       ARG  41   1.591   0.039  -0.581
  321   2HG   ARG  41          1HG       ARG  41   0.755  -1.422  -1.109
  322   1HD   ARG  41          2HD       ARG  41   2.714  -2.480  -1.736
  323   2HD   ARG  41          1HD       ARG  41   3.520  -0.957  -2.161
  324    HE   ARG  41           HE       ARG  41   3.011  -0.838   0.609
  325   1HH1  ARG  41          2HH1      ARG  41   3.793  -3.815  -0.166
  326   2HH1  ARG  41          1HH1      ARG  41   5.456  -3.790   0.315
  327   1HH2  ARG  41          1HH2      ARG  41   5.593  -0.337   0.611
  328   2HH2  ARG  41          2HH2      ARG  41   6.476  -1.820   0.756
  329    H    GLY  42           H        GLY  42   0.219   2.710  -2.199
  330   1HA   GLY  42          2HA       GLY  42   0.256   3.931  -4.734
  331   2HA   GLY  42          1HA       GLY  42  -1.420   3.986  -4.186
  332    H    CYS  43           H        CYS  43  -1.150   6.352  -4.115
  333    HA   CYS  43           HA       CYS  43   0.160   7.219  -1.563
  334   1HB   CYS  43          2HB       CYS  43   1.360   7.671  -3.843
  335   2HB   CYS  43          1HB       CYS  43   0.116   8.901  -4.063
  336    H    ALA  44           H        ALA  44  -1.243   8.386  -0.294
  337    HA   ALA  44           HA       ALA  44  -3.325  10.085  -1.503
  338   1HB   ALA  44          1HB       ALA  44  -4.725   8.423   0.318
  339   2HB   ALA  44          2HB       ALA  44  -3.776   7.347  -0.707
  340   3HB   ALA  44          3HB       ALA  44  -4.914   8.482  -1.434
  341    H    ALA  45           H        ALA  45  -4.901  10.574   0.656
  342    HA   ALA  45           HA       ALA  45  -2.999  11.301   2.861
  343   1HB   ALA  45          1HB       ALA  45  -4.925  13.272   2.823
  344   2HB   ALA  45          2HB       ALA  45  -4.757  12.888   1.110
  345   3HB   ALA  45          3HB       ALA  45  -3.348  13.396   2.042
  346    H    THR  46           H        THR  46  -6.116  10.045   1.938
  347    HA   THR  46           HA       THR  46  -7.032  10.094   4.787
  348    HB   THR  46           HB       THR  46  -9.208   9.364   3.492
  349    HG1  THR  46           HG1      THR  46  -7.981  10.779   1.416
  350   1HG2  THR  46          1HG2      THR  46  -9.297  11.464   4.496
  351   2HG2  THR  46          2HG2      THR  46  -9.444  11.888   2.791
  352   3HG2  THR  46          3HG2      THR  46  -7.892  12.057   3.610
  353    H    CYS  47           H        CYS  47  -6.822   8.189   5.891
  354    HA   CYS  47           HA       CYS  47  -6.481   5.663   4.328
  355   1HB   CYS  47          2HB       CYS  47  -5.852   6.271   7.231
  356   2HB   CYS  47          1HB       CYS  47  -5.265   4.913   6.274
  357    HA   PRO  48           HA       PRO  48 -10.607   4.941   6.034
  358   1HB   PRO  48          2HB       PRO  48 -11.242   2.947   4.274
  359   2HB   PRO  48          1HB       PRO  48 -11.379   4.670   3.866
  360   1HG   PRO  48          2HG       PRO  48  -9.275   2.711   3.121
  361   2HG   PRO  48          1HG       PRO  48  -9.954   4.051   2.187
  362   1HD   PRO  48          2HD       PRO  48  -7.525   4.129   3.472
  363   2HD   PRO  48          1HD       PRO  48  -8.490   5.563   3.062
  364    H    LYS  49           H        LYS  49 -11.603   2.381   6.204
  365    HA   LYS  49           HA       LYS  49  -9.433   0.851   7.607
  366   1HB   LYS  49          2HB       LYS  49 -11.073   0.326   9.306
  367   2HB   LYS  49          1HB       LYS  49 -11.136   2.068   9.036
  368   1HG   LYS  49          2HG       LYS  49 -13.075   1.806   7.571
  369   2HG   LYS  49          1HG       LYS  49 -12.986   0.052   7.731
  370   1HD   LYS  49          2HD       LYS  49 -13.015   0.960  10.365
  371   2HD   LYS  49          1HD       LYS  49 -14.166   2.013   9.540
  372   1HE   LYS  49          2HE       LYS  49 -14.463  -0.772   8.700
  373   2HE   LYS  49          1HE       LYS  49 -14.708  -0.567  10.446
  374   1HZ   LYS  49          1HZ       LYS  49 -16.767  -0.022   9.523
  375   2HZ   LYS  49          2HZ       LYS  49 -16.077   0.822   8.221
  376   3HZ   LYS  49          3HZ       LYS  49 -16.038   1.487   9.784
  377    H    GLY  50           H        GLY  50 -11.196  -1.358   8.195
  378   1HA   GLY  50          2HA       GLY  50 -11.994  -2.329   5.494
  379   2HA   GLY  50          1HA       GLY  50 -10.876  -3.297   6.456
  380    H    SER  51           H        SER  51 -12.413  -5.035   6.577
  381    HA   SER  51           HA       SER  51 -14.307  -4.758   8.806
  382   1HB   SER  51          2HB       SER  51 -16.255  -5.384   7.393
  383   2HB   SER  51          1HB       SER  51 -15.554  -3.852   6.881
  384    HG   SER  51           HG       SER  51 -14.225  -5.490   5.502
  385    H    VAL  52           H        VAL  52 -15.766  -7.064   8.473
  386    HA   VAL  52           HA       VAL  52 -14.069  -9.156   9.259
  387    HB   VAL  52           HB       VAL  52 -16.575  -8.990   9.418
  388   1HG1  VAL  52          1HG1      VAL  52 -17.915  -9.651   7.490
  389   2HG1  VAL  52          2HG1      VAL  52 -16.460  -9.900   6.527
  390   3HG1  VAL  52          3HG1      VAL  52 -16.906  -8.275   7.047
  391   1HG2  VAL  52          1HG2      VAL  52 -16.931 -11.353   9.295
  392   2HG2  VAL  52          2HG2      VAL  52 -15.224 -11.147   9.682
  393   3HG2  VAL  52          3HG2      VAL  52 -15.712 -11.540   8.033
  394    H    TYR  53           H        TYR  53 -14.781  -7.988   6.031
  395    HA   TYR  53           HA       TYR  53 -14.070 -10.264   4.478
  396   1HB   TYR  53          2HB       TYR  53 -14.255  -7.315   4.181
  397   2HB   TYR  53          1HB       TYR  53 -13.267  -8.140   2.975
  398    HD1  TYR  53           HD1      TYR  53 -14.416  -8.663   1.026
  399    HD2  TYR  53           HD2      TYR  53 -16.479  -8.872   4.788
  400    HE1  TYR  53           HE1      TYR  53 -16.470  -9.416  -0.142
  401    HE2  TYR  53           HE2      TYR  53 -18.532  -9.625   3.620
  402    HH   TYR  53           HH       TYR  53 -18.631 -10.887   0.709
  403    H    GLY  54           H        GLY  54 -12.045  -7.653   5.829
  404   1HA   GLY  54          2HA       GLY  54  -9.779  -8.329   6.648
  405   2HA   GLY  54          1HA       GLY  54  -9.652  -9.340   5.206
  406    H    LEU  55           H        LEU  55 -10.577  -5.932   5.806
  407    HA   LEU  55           HA       LEU  55  -8.925  -5.152   3.449
  408   1HB   LEU  55          2HB       LEU  55 -11.437  -4.391   4.642
  409   2HB   LEU  55          1HB       LEU  55 -10.383  -2.979   4.552
  410    HG   LEU  55           HG       LEU  55 -10.147  -4.488   2.114
  411   1HD1  LEU  55          1HD1      LEU  55 -12.527  -4.051   1.334
  412   2HD1  LEU  55          2HD1      LEU  55 -12.954  -3.815   3.029
  413   3HD1  LEU  55          3HD1      LEU  55 -12.347  -5.377   2.481
  414   1HD2  LEU  55          1HD2      LEU  55  -9.922  -2.357   1.421
  415   2HD2  LEU  55          2HD2      LEU  55 -10.341  -1.805   3.042
  416   3HD2  LEU  55          3HD2      LEU  55 -11.605  -2.024   1.831
  417    H    TYR  56           H        TYR  56  -6.810  -5.040   4.339
  418    HA   TYR  56           HA       TYR  56  -6.385  -3.465   6.820
  419   1HB   TYR  56          2HB       TYR  56  -5.238  -5.612   6.491
  420   2HB   TYR  56          1HB       TYR  56  -4.549  -5.030   4.977
  421    HD1  TYR  56           HD1      TYR  56  -4.061  -5.306   8.491
  422    HD2  TYR  56           HD2      TYR  56  -3.144  -2.826   5.108
  423    HE1  TYR  56           HE1      TYR  56  -2.168  -4.304   9.741
  424    HE2  TYR  56           HE2      TYR  56  -1.251  -1.822   6.357
  425    HH   TYR  56           HH       TYR  56  -0.013  -3.154   9.199
  426    H    VAL  57           H        VAL  57  -5.148  -1.517   6.820
  427    HA   VAL  57           HA       VAL  57  -4.206  -0.426   4.228
  428    HB   VAL  57           HB       VAL  57  -6.572   0.162   4.322
  429   1HG1  VAL  57          1HG1      VAL  57  -7.628   0.605   6.266
  430   2HG1  VAL  57          2HG1      VAL  57  -6.483   1.886   6.661
  431   3HG1  VAL  57          3HG1      VAL  57  -6.120   0.215   7.091
  432   1HG2  VAL  57          1HG2      VAL  57  -5.120   2.647   5.224
  433   2HG2  VAL  57          2HG2      VAL  57  -6.357   2.485   3.977
  434   3HG2  VAL  57          3HG2      VAL  57  -4.724   1.883   3.684
  435    H    LEU  58           H        LEU  58  -2.360   0.765   4.581
  436    HA   LEU  58           HA       LEU  58  -1.944   2.043   7.245
  437   1HB   LEU  58          2HB       LEU  58  -0.974  -0.163   7.437
  438   2HB   LEU  58          1HB       LEU  58  -0.178  -0.002   5.871
  439    HG   LEU  58           HG       LEU  58   0.590   2.234   7.470
  440   1HD1  LEU  58          1HD1      LEU  58   1.876   0.334   9.040
  441   2HD1  LEU  58          2HD1      LEU  58   0.213  -0.249   8.970
  442   3HD1  LEU  58          3HD1      LEU  58   0.554   1.376   9.564
  443   1HD2  LEU  58          1HD2      LEU  58   2.650   0.245   7.258
  444   2HD2  LEU  58          2HD2      LEU  58   2.468   1.732   6.331
  445   3HD2  LEU  58          3HD2      LEU  58   1.710   0.244   5.766
  446    H    CYS  59           H        CYS  59  -1.442   4.149   6.743
  447    HA   CYS  59           HA       CYS  59  -0.091   4.735   4.153
  448   1HB   CYS  59          2HB       CYS  59  -1.248   6.653   6.192
  449   2HB   CYS  59          1HB       CYS  59  -0.948   6.953   4.482
  450    H    CYS  60           H        CYS  60   1.923   5.759   4.086
  451    HA   CYS  60           HA       CYS  60   3.208   6.628   6.608
  452   1HB   CYS  60          2HB       CYS  60   5.212   5.068   5.698
  453   2HB   CYS  60          1HB       CYS  60   4.004   4.475   6.826
  454    H    THR  61           H        THR  61   5.599   7.326   5.976
  455    HA   THR  61           HA       THR  61   5.861   8.279   3.213
  456    HB   THR  61           HB       THR  61   4.482  10.021   4.069
  457    HG1  THR  61           HG1      THR  61   6.972  11.096   4.746
  458   1HG2  THR  61          1HG2      THR  61   5.552  11.086   6.342
  459   2HG2  THR  61          2HG2      THR  61   5.907   9.374   6.575
  460   3HG2  THR  61          3HG2      THR  61   4.243   9.903   6.329
  461    H    THR  62           H        THR  62   7.940   9.961   3.383
  462    HA   THR  62           HA       THR  62  10.284   9.992   3.715
  463    HB   THR  62           HB       THR  62   9.449   8.916   6.426
  464    HG1  THR  62           HG1      THR  62   9.480  11.331   6.787
  465   1HG2  THR  62          1HG2      THR  62  11.456  10.932   6.526
  466   2HG2  THR  62          2HG2      THR  62  11.941   9.762   5.298
  467   3HG2  THR  62          3HG2      THR  62  11.611   9.226   6.946
  468    H    ASP  63           H        ASP  63  11.156   8.372   2.406
  469    HA   ASP  63           HA       ASP  63  12.237   6.315   1.951
  470   1HB   ASP  63          2HB       ASP  63  12.766   6.834   4.493
  471   2HB   ASP  63          1HB       ASP  63  11.673   5.480   4.780
  472    H    ASP  64           H        ASP  64  11.382   4.491   0.995
  473    HA   ASP  64           HA       ASP  64   9.813   2.793   0.474
  474   1HB   ASP  64          2HB       ASP  64   9.816   3.192   3.379
  475   2HB   ASP  64          1HB       ASP  64   8.307   2.504   2.782
  476    H    CYS  65           H        CYS  65   7.809   4.706   2.795
  477    HA   CYS  65           HA       CYS  65   5.691   4.857   0.745
  478   1HB   CYS  65          2HB       CYS  65   5.880   5.833   3.611
  479   2HB   CYS  65          1HB       CYS  65   4.401   5.737   2.654
  480    H    ASN  66           HN       ASN  66   8.329   6.492   0.688
  481    HA   ASN  66           HA       ASN  66   7.223   9.254   0.821
  482   1HB   ASN  66          2HB       ASN  66   9.599   9.871   0.644
  483   2HB   ASN  66          1HB       ASN  66   9.382   8.657   1.904
  484   1HD2  ASN  66          1HD2      ASN  66  11.566   9.373  -0.364
  485   2HD2  ASN  66          2HD2      ASN  66  12.019   7.823  -0.888
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1  12.574  11.560  -3.087
    2   2H    MET   1          2H        MET   1  13.200  10.615  -1.821
    3   3H    MET   1          3H        MET   1  12.840  12.255  -1.563
    4    HA   MET   1           HA       MET   1  11.180  10.471  -0.723
    5   1HB   MET   1          2HB       MET   1  11.019  13.147  -1.902
    6   2HB   MET   1          1HB       MET   1   9.468  12.308  -1.926
    7   1HG   MET   1          2HG       MET   1   9.530  11.948   0.447
    8   2HG   MET   1          1HG       MET   1  11.208  12.479   0.545
    9   1HE   MET   1          1HE       MET   1   8.640  13.044   1.995
   10   2HE   MET   1          2HE       MET   1   8.016  14.691   1.937
   11   3HE   MET   1          3HE       MET   1   9.585  14.377   2.673
   12    H    LYS   2           H        LYS   2  10.425   8.576  -1.607
   13    HA   LYS   2           HA       LYS   2   8.991   8.713  -4.209
   14   1HB   LYS   2          2HB       LYS   2  11.409   7.035  -3.522
   15   2HB   LYS   2          1HB       LYS   2  10.308   6.579  -4.823
   16   1HG   LYS   2          2HG       LYS   2  10.681   8.738  -5.928
   17   2HG   LYS   2          1HG       LYS   2  11.746   9.241  -4.613
   18   1HD   LYS   2          2HD       LYS   2  12.941   6.918  -5.240
   19   2HD   LYS   2          1HD       LYS   2  12.244   7.298  -6.815
   20   1HE   LYS   2          2HE       LYS   2  13.774   9.395  -5.269
   21   2HE   LYS   2          1HE       LYS   2  14.614   8.233  -6.316
   22   1HZ   LYS   2          1HZ       LYS   2  13.060   8.827  -8.104
   23   2HZ   LYS   2          2HZ       LYS   2  13.988  10.160  -7.603
   24   3HZ   LYS   2          3HZ       LYS   2  12.369  10.013  -7.109
   25    H    CYS   3           H        CYS   3   8.514   6.001  -4.518
   26    HA   CYS   3           HA       CYS   3   7.609   4.829  -1.971
   27   1HB   CYS   3          2HB       CYS   3   5.944   6.610  -2.648
   28   2HB   CYS   3          1HB       CYS   3   5.613   5.669  -4.099
   29    H    LYS   4           H        LYS   4   8.581   2.879  -2.474
   30    HA   LYS   4           HA       LYS   4   8.489   1.700  -5.142
   31   1HB   LYS   4          2HB       LYS   4  10.223   1.568  -3.157
   32   2HB   LYS   4          1HB       LYS   4   9.205   0.229  -2.626
   33   1HG   LYS   4          2HG       LYS   4   9.417  -0.574  -5.111
   34   2HG   LYS   4          1HG       LYS   4  10.828   0.484  -5.145
   35   1HD   LYS   4          2HD       LYS   4  11.392  -0.766  -2.868
   36   2HD   LYS   4          1HD       LYS   4  10.377  -2.023  -3.577
   37   1HE   LYS   4          2HE       LYS   4  11.846  -1.657  -5.719
   38   2HE   LYS   4          1HE       LYS   4  12.998  -0.930  -4.581
   39   1HZ   LYS   4          1HZ       LYS   4  13.399  -3.284  -4.686
   40   2HZ   LYS   4          2HZ       LYS   4  11.764  -3.627  -4.376
   41   3HZ   LYS   4          3HZ       LYS   4  12.731  -2.919  -3.171
   42    H    ILE   5           H        ILE   5   6.768   0.560  -5.917
   43    HA   ILE   5           HA       ILE   5   4.796  -0.581  -3.984
   44    HB   ILE   5           HB       ILE   5   4.728   0.027  -6.957
   45   1HG1  ILE   5          2HG1      ILE   5   2.939   1.274  -4.904
   46   2HG1  ILE   5          1HG1      ILE   5   4.607   1.836  -5.006
   47   1HG2  ILE   5          1HG2      ILE   5   3.260  -1.916  -5.678
   48   2HG2  ILE   5          2HG2      ILE   5   2.747  -1.063  -7.134
   49   3HG2  ILE   5          3HG2      ILE   5   2.201  -0.512  -5.550
   50   1HD1  ILE   5          1HD1      ILE   5   3.852   1.730  -7.660
   51   2HD1  ILE   5          2HD1      ILE   5   3.870   3.189  -6.669
   52   3HD1  ILE   5          3HD1      ILE   5   2.375   2.274  -6.863
   53    H    CYS   6           H        CYS   6   5.164  -2.720  -3.529
   54    HA   CYS   6           HA       CYS   6   6.234  -4.465  -5.724
   55   1HB   CYS   6          2HB       CYS   6   6.593  -4.446  -2.717
   56   2HB   CYS   6          1HB       CYS   6   7.082  -5.812  -3.721
   57    H    ASN   7           H        ASN   7   5.741  -6.921  -4.547
   58    HA   ASN   7           HA       ASN   7   2.746  -7.003  -4.505
   59   1HB   ASN   7          2HB       ASN   7   4.836  -8.408  -5.893
   60   2HB   ASN   7          1HB       ASN   7   3.939  -9.560  -4.906
   61   1HD2  ASN   7          1HD2      ASN   7   3.926  -8.108  -7.925
   62   2HD2  ASN   7          2HD2      ASN   7   2.278  -8.276  -8.296
   63    H    PHE   8           H        PHE   8   2.724  -9.744  -3.520
   64    HA   PHE   8           HA       PHE   8   2.792  -9.225  -0.662
   65   1HB   PHE   8          2HB       PHE   8   1.207 -10.706  -2.001
   66   2HB   PHE   8          1HB       PHE   8   2.530 -11.867  -2.120
   67    HD1  PHE   8           HD1      PHE   8   2.539 -13.570  -0.539
   68    HD2  PHE   8           HD2      PHE   8   0.934  -9.731   0.533
   69    HE1  PHE   8           HE1      PHE   8   1.987 -14.430   1.721
   70    HE2  PHE   8           HE2      PHE   8   0.383 -10.592   2.792
   71    HZ   PHE   8           HZ       PHE   8   0.910 -12.941   3.386
   72    H    ASP   9           H        ASP   9   4.953  -8.866   0.014
   73    HA   ASP   9           HA       ASP   9   7.104  -9.513   0.748
   74   1HB   ASP   9          2HB       ASP   9   5.370 -11.846   0.653
   75   2HB   ASP   9          1HB       ASP   9   7.053 -12.295   0.374
   76    H    THR  10           H        THR  10   6.514  -9.020  -2.179
   77    HA   THR  10           HA       THR  10   9.072 -10.069  -3.212
   78    HB   THR  10           HB       THR  10   7.387 -11.871  -3.574
   79    HG1  THR  10           HG1      THR  10   8.263 -12.232  -5.445
   80   1HG2  THR  10          1HG2      THR  10   5.543 -11.430  -5.180
   81   2HG2  THR  10          2HG2      THR  10   5.987  -9.723  -5.188
   82   3HG2  THR  10          3HG2      THR  10   5.388 -10.473  -3.708
   83    H    CYS  11           H        CYS  11   9.936  -8.567  -4.622
   84    HA   CYS  11           HA       CYS  11   8.189  -6.281  -5.419
   85   1HB   CYS  11          2HB       CYS  11  11.131  -6.734  -4.956
   86   2HB   CYS  11          1HB       CYS  11  10.586  -5.336  -5.884
   87    H    ARG  12           H        ARG  12   7.862  -8.633  -6.943
   88    HA   ARG  12           HA       ARG  12   9.527  -8.845  -9.244
   89   1HB   ARG  12          2HB       ARG  12   7.605 -10.065 -10.155
   90   2HB   ARG  12          1HB       ARG  12   7.820 -10.477  -8.452
   91   1HG   ARG  12          2HG       ARG  12   6.123  -8.818  -7.827
   92   2HG   ARG  12          1HG       ARG  12   5.908  -8.390  -9.523
   93   1HD   ARG  12          2HD       ARG  12   5.538 -11.235  -8.555
   94   2HD   ARG  12          1HD       ARG  12   4.203 -10.065  -8.572
   95    HE   ARG  12           HE       ARG  12   5.702 -10.977 -10.986
   96   1HH1  ARG  12          2HH1      ARG  12   4.354  -8.124 -10.596
   97   2HH1  ARG  12          1HH1      ARG  12   2.929  -8.372 -11.549
   98   1HH2  ARG  12          1HH2      ARG  12   3.329 -11.812 -11.732
   99   2HH2  ARG  12          2HH2      ARG  12   2.347 -10.460 -12.191
  100    H    ALA  13           H        ALA  13   7.095  -6.544  -8.357
  101    HA   ALA  13           HA       ALA  13   6.838  -5.502 -11.126
  102   1HB   ALA  13          1HB       ALA  13   4.793  -4.953 -10.333
  103   2HB   ALA  13          2HB       ALA  13   5.526  -3.951  -9.080
  104   3HB   ALA  13          3HB       ALA  13   5.239  -5.666  -8.782
  105    H    GLY  14           H        GLY  14   7.977  -4.460  -7.905
  106   1HA   GLY  14          2HA       GLY  14   9.344  -2.654  -7.284
  107   2HA   GLY  14          1HA       GLY  14  10.159  -2.942  -8.822
  108    H    GLU  15           H        GLU  15   6.784  -1.936  -8.316
  109    HA   GLU  15           HA       GLU  15   7.113   0.225 -10.269
  110   1HB   GLU  15          2HB       GLU  15   4.936  -1.005  -8.614
  111   2HB   GLU  15          1HB       GLU  15   4.652   0.583  -9.327
  112   1HG   GLU  15          2HG       GLU  15   5.651  -0.626 -11.490
  113   2HG   GLU  15          1HG       GLU  15   5.026  -2.057 -10.670
  114    H    LEU  16           H        LEU  16   8.811   1.402  -8.960
  115    HA   LEU  16           HA       LEU  16   7.820   2.730  -6.508
  116   1HB   LEU  16          2HB       LEU  16  10.037   1.911  -6.362
  117   2HB   LEU  16          1HB       LEU  16  10.447   2.498  -7.974
  118    HG   LEU  16           HG       LEU  16   9.557   4.675  -6.270
  119   1HD1  LEU  16          1HD1      LEU  16  11.115   2.674  -4.964
  120   2HD1  LEU  16          2HD1      LEU  16  10.651   4.261  -4.350
  121   3HD1  LEU  16          3HD1      LEU  16  12.159   4.067  -5.245
  122   1HD2  LEU  16          1HD2      LEU  16  12.371   4.466  -7.189
  123   2HD2  LEU  16          2HD2      LEU  16  11.210   5.775  -7.410
  124   3HD2  LEU  16          3HD2      LEU  16  11.147   4.354  -8.453
  125    H    LYS  17           H        LYS  17   7.365   4.923  -6.392
  126    HA   LYS  17           HA       LYS  17   7.847   6.624  -8.788
  127   1HB   LYS  17          2HB       LYS  17   5.502   5.317  -8.488
  128   2HB   LYS  17          1HB       LYS  17   5.156   6.745  -7.514
  129   1HG   LYS  17          2HG       LYS  17   6.002   8.130  -9.484
  130   2HG   LYS  17          1HG       LYS  17   5.950   6.640 -10.429
  131   1HD   LYS  17          2HD       LYS  17   3.633   6.499 -10.337
  132   2HD   LYS  17          1HD       LYS  17   3.533   7.427  -8.841
  133   1HE   LYS  17          2HE       LYS  17   4.585   8.786 -11.307
  134   2HE   LYS  17          1HE       LYS  17   2.833   8.571 -11.116
  135   1HZ   LYS  17          1HZ       LYS  17   2.762   9.928  -9.337
  136   2HZ   LYS  17          2HZ       LYS  17   4.194  10.571  -9.986
  137   3HZ   LYS  17          3HZ       LYS  17   4.266   9.420  -8.739
  138    H    VAL  18           H        VAL  18   6.096   8.709  -7.698
  139    HA   VAL  18           HA       VAL  18   7.579   9.406  -5.190
  140    HB   VAL  18           HB       VAL  18   7.453  11.765  -6.195
  141   1HG1  VAL  18          1HG1      VAL  18   9.036   9.731  -7.786
  142   2HG1  VAL  18          2HG1      VAL  18   9.486  10.259  -6.164
  143   3HG1  VAL  18          3HG1      VAL  18   9.458  11.418  -7.493
  144   1HG2  VAL  18          1HG2      VAL  18   7.017  11.968  -8.539
  145   2HG2  VAL  18          2HG2      VAL  18   5.686  11.013  -7.884
  146   3HG2  VAL  18          3HG2      VAL  18   6.999  10.218  -8.754
  147    H    CYS  19           H        CYS  19   6.180   9.819  -3.538
  148    HA   CYS  19           HA       CYS  19   3.542  11.075  -4.139
  149   1HB   CYS  19          2HB       CYS  19   4.054   8.499  -2.619
  150   2HB   CYS  19          1HB       CYS  19   2.500   9.332  -2.649
  151    H    ALA  20           H        ALA  20   5.389   9.692  -1.379
  152    HA   ALA  20           HA       ALA  20   4.415  11.544   0.569
  153   1HB   ALA  20          1HB       ALA  20   6.210  10.625   1.922
  154   2HB   ALA  20          2HB       ALA  20   7.092  10.116   0.482
  155   3HB   ALA  20          3HB       ALA  20   5.576   9.324   0.913
  156    H    SER  21           H        SER  21   4.634  13.548  -0.877
  157    HA   SER  21           HA       SER  21   7.022  15.047  -0.096
  158   1HB   SER  21          2HB       SER  21   7.692  15.440  -2.494
  159   2HB   SER  21          1HB       SER  21   7.902  13.771  -1.970
  160    HG   SER  21           HG       SER  21   6.833  13.946  -4.000
  161    H    GLY  22           H        GLY  22   4.090  15.297   0.148
  162   1HA   GLY  22          2HA       GLY  22   3.642  17.994  -0.109
  163   2HA   GLY  22          1HA       GLY  22   3.257  17.386  -1.721
  164    H    GLU  23           H        GLU  23   2.591  16.444   1.675
  165    HA   GLU  23           HA       GLU  23   0.545  15.822   2.687
  166   1HB   GLU  23          2HB       GLU  23   0.010  18.035   1.455
  167   2HB   GLU  23          1HB       GLU  23  -0.747  17.017   0.228
  168   1HG   GLU  23          2HG       GLU  23  -2.592  17.255   1.554
  169   2HG   GLU  23          1HG       GLU  23  -1.840  15.952   2.476
  170    H    LYS  24           H        LYS  24   1.878  14.319   0.222
  171    HA   LYS  24           HA       LYS  24  -0.477  12.602  -0.464
  172   1HB   LYS  24          2HB       LYS  24   1.717  13.756  -1.902
  173   2HB   LYS  24          1HB       LYS  24   1.868  12.000  -1.982
  174   1HG   LYS  24          2HG       LYS  24   0.480  12.819  -3.838
  175   2HG   LYS  24          1HG       LYS  24  -0.488  11.842  -2.733
  176   1HD   LYS  24          2HD       LYS  24  -0.876  14.232  -1.584
  177   2HD   LYS  24          1HD       LYS  24  -0.571  14.781  -3.233
  178   1HE   LYS  24          2HE       LYS  24  -2.287  12.933  -3.923
  179   2HE   LYS  24          1HE       LYS  24  -2.791  13.008  -2.223
  180   1HZ   LYS  24          1HZ       LYS  24  -2.824  15.490  -2.512
  181   2HZ   LYS  24          2HZ       LYS  24  -4.043  14.648  -3.343
  182   3HZ   LYS  24          3HZ       LYS  24  -2.685  15.231  -4.183
  183    H    TYR  25           H        TYR  25  -0.460  11.208   1.374
  184    HA   TYR  25           HA       TYR  25   2.039   9.873   2.193
  185   1HB   TYR  25          2HB       TYR  25  -0.839   9.986   3.056
  186   2HB   TYR  25          1HB       TYR  25   0.189   8.689   3.663
  187    HD1  TYR  25           HD1      TYR  25   0.137  12.411   3.234
  188    HD2  TYR  25           HD2      TYR  25   1.550   9.066   5.528
  189    HE1  TYR  25           HE1      TYR  25   1.120  13.967   4.897
  190    HE2  TYR  25           HE2      TYR  25   2.534  10.622   7.190
  191    HH   TYR  25           HH       TYR  25   1.747  13.859   7.367
  192    H    CYS  26           H        CYS  26   2.613   7.785   1.579
  193    HA   CYS  26           HA       CYS  26   1.025   6.484  -0.538
  194   1HB   CYS  26          2HB       CYS  26   3.731   6.589   0.383
  195   2HB   CYS  26          1HB       CYS  26   3.217   4.902   0.421
  196    H    PHE  27           H        PHE  27  -0.717   5.287   0.128
  197    HA   PHE  27           HA       PHE  27  -0.581   3.869   2.749
  198   1HB   PHE  27          2HB       PHE  27  -2.994   3.903   2.606
  199   2HB   PHE  27          1HB       PHE  27  -2.413   5.505   2.150
  200    HD1  PHE  27           HD1      PHE  27  -4.031   2.434   0.992
  201    HD2  PHE  27           HD2      PHE  27  -2.367   6.201  -0.229
  202    HE1  PHE  27           HE1      PHE  27  -5.152   2.216  -1.208
  203    HE2  PHE  27           HE2      PHE  27  -3.489   5.983  -2.429
  204    HZ   PHE  27           HZ       PHE  27  -4.881   3.991  -2.919
  205    H    LYS  28           H        LYS  28  -0.139   1.727   2.703
  206    HA   LYS  28           HA       LYS  28  -0.454   0.202   0.176
  207   1HB   LYS  28          2HB       LYS  28   0.675  -0.628   2.867
  208   2HB   LYS  28          1HB       LYS  28   0.962  -1.405   1.310
  209   1HG   LYS  28          2HG       LYS  28   2.653   0.007   0.853
  210   2HG   LYS  28          1HG       LYS  28   1.620   1.406   1.151
  211   1HD   LYS  28          2HD       LYS  28   3.607   1.295   2.682
  212   2HD   LYS  28          1HD       LYS  28   2.063   1.292   3.537
  213   1HE   LYS  28          2HE       LYS  28   2.687  -0.640   4.542
  214   2HE   LYS  28          1HE       LYS  28   2.677  -1.426   2.950
  215   1HZ   LYS  28          1HZ       LYS  28   4.927   0.283   3.823
  216   2HZ   LYS  28          2HZ       LYS  28   4.896  -0.866   2.573
  217   3HZ   LYS  28          3HZ       LYS  28   4.885  -1.370   4.195
  218    H    GLU  29           H        GLU  29  -2.449  -0.737  -0.107
  219    HA   GLU  29           HA       GLU  29  -4.018  -1.528   2.307
  220   1HB   GLU  29          2HB       GLU  29  -5.054  -0.007   0.691
  221   2HB   GLU  29          1HB       GLU  29  -4.730  -1.145  -0.619
  222   1HG   GLU  29          2HG       GLU  29  -6.149  -2.834   0.545
  223   2HG   GLU  29          1HG       GLU  29  -6.538  -1.623   1.768
  224    H    SER  30           H        SER  30  -4.091  -3.669   2.822
  225    HA   SER  30           HA       SER  30  -3.338  -5.668   0.722
  226   1HB   SER  30          2HB       SER  30  -2.154  -5.228   3.066
  227   2HB   SER  30          1HB       SER  30  -3.460  -6.250   3.661
  228    HG   SER  30           HG       SER  30  -1.457  -7.326   2.948
  229    H    TRP  31           H        TRP  31  -5.070  -6.775  -0.085
  230    HA   TRP  31           HA       TRP  31  -7.653  -6.778   1.324
  231   1HB   TRP  31          2HB       TRP  31  -7.002  -6.589  -1.237
  232   2HB   TRP  31          1HB       TRP  31  -7.027  -8.351  -1.154
  233    HD1  TRP  31           HD1      TRP  31  -9.368  -9.409  -0.055
  234    HE1  TRP  31           HE1      TRP  31 -11.796  -8.637  -0.451
  235    HE3  TRP  31           HE3      TRP  31  -8.517  -4.682  -1.788
  236    HZ2  TRP  31           HZ2      TRP  31 -13.192  -6.321  -1.381
  237    HZ3  TRP  31           HZ3      TRP  31 -10.412  -3.215  -2.421
  238    HH2  TRP  31           HH2      TRP  31 -12.746  -4.028  -2.220
  239    H    ARG  32           H        ARG  32  -8.662  -8.647   2.171
  240    HA   ARG  32           HA       ARG  32  -6.851 -11.002   2.568
  241   1HB   ARG  32          2HB       ARG  32  -8.286  -9.326   4.321
  242   2HB   ARG  32          1HB       ARG  32  -9.174 -10.849   4.303
  243   1HG   ARG  32          2HG       ARG  32  -7.283 -12.092   5.009
  244   2HG   ARG  32          1HG       ARG  32  -6.172 -10.778   4.618
  245   1HD   ARG  32          2HD       ARG  32  -7.920  -9.600   6.434
  246   2HD   ARG  32          1HD       ARG  32  -7.685 -11.235   7.082
  247    HE   ARG  32           HE       ARG  32  -5.256  -9.810   6.167
  248   1HH1  ARG  32          2HH1      ARG  32  -6.406  -8.510   8.639
  249   2HH1  ARG  32          1HH1      ARG  32  -5.601  -9.384   9.899
  250   1HH2  ARG  32          1HH2      ARG  32  -4.594 -11.973   7.824
  251   2HH2  ARG  32          2HH2      ARG  32  -4.575 -11.344   9.438
  252    H    GLU  33           H        GLU  33  -7.652 -11.775   0.392
  253    HA   GLU  33           HA       GLU  33 -10.454 -12.434   0.014
  254   1HB   GLU  33          2HB       GLU  33  -8.025 -12.357  -1.447
  255   2HB   GLU  33          1HB       GLU  33  -8.613 -14.018  -1.550
  256   1HG   GLU  33          2HG       GLU  33  -9.592 -12.769  -3.378
  257   2HG   GLU  33          1HG       GLU  33 -10.866 -13.104  -2.204
  258    H    ALA  34           H        ALA  34 -11.496 -14.372   0.487
  259    HA   ALA  34           HA       ALA  34 -10.526 -16.110   2.511
  260   1HB   ALA  34          1HB       ALA  34 -12.895 -15.652   1.521
  261   2HB   ALA  34          2HB       ALA  34 -12.535 -17.278   2.098
  262   3HB   ALA  34          3HB       ALA  34 -12.489 -16.925   0.371
  263    H    ARG  35           H        ARG  35  -9.746 -15.989  -0.845
  264    HA   ARG  35           HA       ARG  35  -8.542 -18.736  -0.680
  265   1HB   ARG  35          2HB       ARG  35 -10.331 -17.469  -2.538
  266   2HB   ARG  35          1HB       ARG  35  -8.821 -17.841  -3.370
  267   1HG   ARG  35          2HG       ARG  35 -10.039 -19.919  -1.586
  268   2HG   ARG  35          1HG       ARG  35 -10.720 -19.668  -3.193
  269   1HD   ARG  35          2HD       ARG  35  -8.067 -19.728  -3.807
  270   2HD   ARG  35          1HD       ARG  35  -8.108 -20.841  -2.425
  271    HE   ARG  35           HE       ARG  35  -9.681 -22.230  -3.632
  272   1HH1  ARG  35          1HH2      ARG  35 -10.859 -19.730  -5.076
  273   2HH1  ARG  35          2HH2      ARG  35 -10.467 -20.122  -6.717
  274   1HH2  ARG  35          2HH1      ARG  35  -8.209 -22.611  -5.861
  275   2HH2  ARG  35          1HH1      ARG  35  -8.966 -21.753  -7.161
  276    H    GLY  36           H        GLY  36  -7.209 -16.326   0.247
  277   1HA   GLY  36          2HA       GLY  36  -4.658 -16.390  -0.345
  278   2HA   GLY  36          1HA       GLY  36  -5.222 -15.809  -1.912
  279    H    THR  37           H        THR  37  -3.467 -14.227  -0.492
  280    HA   THR  37           HA       THR  37  -5.224 -12.036   0.567
  281    HB   THR  37           HB       THR  37  -3.172 -11.435   1.892
  282    HG1  THR  37           HG1      THR  37  -1.667 -12.431   0.507
  283   1HG2  THR  37          1HG2      THR  37  -3.268 -13.959   3.019
  284   2HG2  THR  37          2HG2      THR  37  -4.805 -13.853   2.161
  285   3HG2  THR  37          3HG2      THR  37  -4.385 -12.640   3.371
  286    H    ARG  38           H        ARG  38  -5.085 -10.101  -0.521
  287    HA   ARG  38           HA       ARG  38  -3.044  -9.872  -2.695
  288   1HB   ARG  38          2HB       ARG  38  -5.717  -9.692  -2.803
  289   2HB   ARG  38          1HB       ARG  38  -5.367  -8.017  -2.378
  290   1HG   ARG  38          2HG       ARG  38  -4.107  -7.653  -4.333
  291   2HG   ARG  38          1HG       ARG  38  -3.876  -9.380  -4.613
  292   1HD   ARG  38          2HD       ARG  38  -6.648  -9.098  -4.622
  293   2HD   ARG  38          1HD       ARG  38  -6.072  -7.657  -5.484
  294    HE   ARG  38           HE       ARG  38  -4.597  -9.338  -6.792
  295   1HH1  ARG  38          1HH2      ARG  38  -7.886  -9.593  -5.962
  296   2HH1  ARG  38          2HH2      ARG  38  -8.137 -11.097  -6.785
  297   1HH2  ARG  38          2HH1      ARG  38  -4.792 -11.512  -7.601
  298   2HH2  ARG  38          1HH1      ARG  38  -6.384 -12.184  -7.713
  299    H    ILE  39           H        ILE  39  -1.915  -7.822  -2.929
  300    HA   ILE  39           HA       ILE  39  -2.079  -5.924  -0.641
  301    HB   ILE  39           HB       ILE  39  -0.443  -7.848  -0.224
  302   1HG1  ILE  39          2HG1      ILE  39   0.599  -5.000  -0.344
  303   2HG1  ILE  39          1HG1      ILE  39  -0.265  -5.742   1.004
  304   1HG2  ILE  39          1HG2      ILE  39   1.461  -6.434  -2.039
  305   2HG2  ILE  39          2HG2      ILE  39   0.296  -7.535  -2.776
  306   3HG2  ILE  39          3HG2      ILE  39   1.421  -8.129  -1.554
  307   1HD1  ILE  39          1HD1      ILE  39   1.585  -6.831   1.744
  308   2HD1  ILE  39          2HD1      ILE  39   2.473  -5.671   0.756
  309   3HD1  ILE  39          3HD1      ILE  39   2.090  -7.267   0.112
  310    H    GLU  40           H        GLU  40  -2.049  -3.886  -1.505
  311    HA   GLU  40           HA       GLU  40  -0.386  -3.382  -3.936
  312   1HB   GLU  40          2HB       GLU  40  -2.862  -3.907  -4.386
  313   2HB   GLU  40          1HB       GLU  40  -3.216  -2.372  -3.590
  314   1HG   GLU  40          2HG       GLU  40  -1.084  -2.024  -5.512
  315   2HG   GLU  40          1HG       GLU  40  -2.486  -2.759  -6.289
  316    H    ARG  41           H        ARG  41   0.066  -1.051  -4.226
  317    HA   ARG  41           HA       ARG  41  -0.030   0.428  -1.622
  318   1HB   ARG  41          2HB       ARG  41   1.971  -0.105  -3.681
  319   2HB   ARG  41          1HB       ARG  41   1.838   1.618  -3.323
  320   1HG   ARG  41          2HG       ARG  41   2.932   1.332  -1.379
  321   2HG   ARG  41          1HG       ARG  41   1.743   0.137  -0.860
  322   1HD   ARG  41          2HD       ARG  41   3.229  -1.271  -2.730
  323   2HD   ARG  41          1HD       ARG  41   4.451  -0.287  -1.901
  324    HE   ARG  41           HE       ARG  41   2.484  -1.588  -0.137
  325   1HH1  ARG  41          2HH1      ARG  41   5.541  -0.662   0.033
  326   2HH1  ARG  41          1HH1      ARG  41   6.250  -2.193   0.420
  327   1HH2  ARG  41          1HH2      ARG  41   3.404  -4.010  -0.368
  328   2HH2  ARG  41          2HH2      ARG  41   5.041  -4.089   0.193
  329    H    GLY  42           H        GLY  42   0.390   2.974  -2.370
  330   1HA   GLY  42          2HA       GLY  42  -0.909   3.952  -4.691
  331   2HA   GLY  42          1HA       GLY  42  -2.121   3.847  -3.414
  332    H    CYS  43           H        CYS  43  -1.961   6.317  -3.956
  333    HA   CYS  43           HA       CYS  43  -0.144   7.519  -1.914
  334   1HB   CYS  43          2HB       CYS  43  -0.497   8.471  -4.777
  335   2HB   CYS  43          1HB       CYS  43   0.538   9.215  -3.558
  336    H    ALA  44           H        ALA  44  -1.692   8.355  -0.535
  337    HA   ALA  44           HA       ALA  44  -3.529  10.412  -1.595
  338   1HB   ALA  44          1HB       ALA  44  -5.347   9.026  -0.192
  339   2HB   ALA  44          2HB       ALA  44  -4.296   7.685  -0.646
  340   3HB   ALA  44          3HB       ALA  44  -5.039   8.685  -1.895
  341    H    ALA  45           H        ALA  45  -5.098  10.810   0.622
  342    HA   ALA  45           HA       ALA  45  -3.140  11.150   2.873
  343   1HB   ALA  45          1HB       ALA  45  -3.589  13.390   2.890
  344   2HB   ALA  45          2HB       ALA  45  -5.300  13.143   2.536
  345   3HB   ALA  45          3HB       ALA  45  -4.115  13.111   1.230
  346    H    THR  46           H        THR  46  -6.115   9.873   1.876
  347    HA   THR  46           HA       THR  46  -7.257   9.990   4.641
  348    HB   THR  46           HB       THR  46  -9.296   9.121   3.259
  349    HG1  THR  46           HG1      THR  46  -9.119   9.708   1.062
  350   1HG2  THR  46          1HG2      THR  46  -8.657  11.826   2.281
  351   2HG2  THR  46          2HG2      THR  46  -8.452  11.614   4.020
  352   3HG2  THR  46          3HG2      THR  46 -10.010  11.276   3.269
  353    H    CYS  47           H        CYS  47  -6.950   8.163   5.840
  354    HA   CYS  47           HA       CYS  47  -6.553   5.562   4.408
  355   1HB   CYS  47          2HB       CYS  47  -5.693   6.418   7.188
  356   2HB   CYS  47          1HB       CYS  47  -5.169   4.983   6.314
  357    HA   PRO  48           HA       PRO  48 -10.533   4.979   6.525
  358   1HB   PRO  48          2HB       PRO  48 -11.386   2.987   4.855
  359   2HB   PRO  48          1HB       PRO  48 -11.545   4.710   4.461
  360   1HG   PRO  48          2HG       PRO  48  -9.542   2.730   3.509
  361   2HG   PRO  48          1HG       PRO  48 -10.326   4.054   2.635
  362   1HD   PRO  48          2HD       PRO  48  -7.774   4.175   3.612
  363   2HD   PRO  48          1HD       PRO  48  -8.805   5.600   3.352
  364    H    LYS  49           H        LYS  49 -11.559   2.560   7.008
  365    HA   LYS  49           HA       LYS  49  -9.417   1.164   8.501
  366   1HB   LYS  49          2HB       LYS  49 -12.309   1.587   8.632
  367   2HB   LYS  49          1HB       LYS  49 -11.863  -0.091   8.946
  368   1HG   LYS  49          2HG       LYS  49 -11.336   0.545  11.044
  369   2HG   LYS  49          1HG       LYS  49  -9.965   1.411  10.350
  370   1HD   LYS  49          2HD       LYS  49 -10.962   3.223  11.321
  371   2HD   LYS  49          1HD       LYS  49 -11.953   3.195   9.862
  372   1HE   LYS  49          2HE       LYS  49 -13.715   3.059  11.313
  373   2HE   LYS  49          1HE       LYS  49 -13.240   1.358  11.486
  374   1HZ   LYS  49          1HZ       LYS  49 -12.975   1.971  13.636
  375   2HZ   LYS  49          2HZ       LYS  49 -12.737   3.612  13.264
  376   3HZ   LYS  49          3HZ       LYS  49 -11.464   2.503  13.078
  377    H    GLY  50           H        GLY  50 -12.261  -0.270   6.916
  378   1HA   GLY  50          2HA       GLY  50 -10.673  -1.718   4.950
  379   2HA   GLY  50          1HA       GLY  50 -11.189  -2.741   6.292
  380    H    SER  51           H        SER  51 -12.578  -3.969   4.888
  381    HA   SER  51           HA       SER  51 -15.081  -2.503   4.119
  382   1HB   SER  51          2HB       SER  51 -13.695  -3.017   2.162
  383   2HB   SER  51          1HB       SER  51 -13.577  -4.701   2.663
  384    HG   SER  51           HG       SER  51 -15.937  -3.284   1.958
  385    H    VAL  52           H        VAL  52 -14.896  -3.737   6.611
  386    HA   VAL  52           HA       VAL  52 -15.906  -5.407   7.953
  387    HB   VAL  52           HB       VAL  52 -17.659  -5.516   5.478
  388   1HG1  VAL  52          1HG1      VAL  52 -18.965  -6.925   6.647
  389   2HG1  VAL  52          2HG1      VAL  52 -19.017  -5.799   8.003
  390   3HG1  VAL  52          3HG1      VAL  52 -17.721  -6.991   7.896
  391   1HG2  VAL  52          1HG2      VAL  52 -17.417  -3.597   7.776
  392   2HG2  VAL  52          2HG2      VAL  52 -19.003  -3.888   7.063
  393   3HG2  VAL  52          3HG2      VAL  52 -17.691  -3.259   6.067
  394    H    TYR  53           H        TYR  53 -13.881  -6.175   5.739
  395    HA   TYR  53           HA       TYR  53 -14.461  -9.113   5.819
  396   1HB   TYR  53          2HB       TYR  53 -14.894  -7.741   3.617
  397   2HB   TYR  53          1HB       TYR  53 -13.137  -7.773   3.473
  398    HD1  TYR  53           HD1      TYR  53 -16.216  -9.715   3.263
  399    HD2  TYR  53           HD2      TYR  53 -11.928  -9.955   3.344
  400    HE1  TYR  53           HE1      TYR  53 -16.329 -12.030   2.383
  401    HE2  TYR  53           HE2      TYR  53 -12.042 -12.270   2.463
  402    HH   TYR  53           HH       TYR  53 -14.168 -14.192   2.618
  403    H    GLY  54           H        GLY  54 -11.922  -6.699   5.035
  404   1HA   GLY  54          2HA       GLY  54 -10.027  -7.231   6.919
  405   2HA   GLY  54          1HA       GLY  54  -9.816  -8.591   5.817
  406    H    LEU  55           H        LEU  55  -9.246  -5.214   6.294
  407    HA   LEU  55           HA       LEU  55  -7.712  -5.157   3.726
  408   1HB   LEU  55          2HB       LEU  55  -9.990  -3.485   4.662
  409   2HB   LEU  55          1HB       LEU  55  -8.674  -2.631   3.857
  410    HG   LEU  55           HG       LEU  55  -9.931  -5.115   2.681
  411   1HD1  LEU  55          1HD1      LEU  55 -11.340  -2.803   3.118
  412   2HD1  LEU  55          2HD1      LEU  55 -11.654  -3.924   1.794
  413   3HD1  LEU  55          3HD1      LEU  55 -10.652  -2.499   1.523
  414   1HD2  LEU  55          1HD2      LEU  55  -7.848  -4.637   1.652
  415   2HD2  LEU  55          2HD2      LEU  55  -8.128  -2.897   1.704
  416   3HD2  LEU  55          3HD2      LEU  55  -9.037  -3.903   0.577
  417    H    TYR  56           H        TYR  56  -5.621  -4.845   4.418
  418    HA   TYR  56           HA       TYR  56  -5.110  -3.247   6.873
  419   1HB   TYR  56          2HB       TYR  56  -3.906  -5.445   5.404
  420   2HB   TYR  56          1HB       TYR  56  -2.714  -4.189   5.738
  421    HD1  TYR  56           HD1      TYR  56  -1.437  -5.033   7.534
  422    HD2  TYR  56           HD2      TYR  56  -5.725  -5.178   7.718
  423    HE1  TYR  56           HE1      TYR  56  -1.309  -5.783   9.895
  424    HE2  TYR  56           HE2      TYR  56  -5.598  -5.929  10.078
  425    HH   TYR  56           HH       TYR  56  -3.514  -5.558  12.014
  426    H    VAL  57           H        VAL  57  -5.054  -1.058   6.426
  427    HA   VAL  57           HA       VAL  57  -3.691  -0.143   3.925
  428    HB   VAL  57           HB       VAL  57  -4.902   2.009   4.551
  429   1HG1  VAL  57          1HG1      VAL  57  -7.248   0.582   4.339
  430   2HG1  VAL  57          2HG1      VAL  57  -6.060  -0.564   3.716
  431   3HG1  VAL  57          3HG1      VAL  57  -6.217   1.031   2.980
  432   1HG2  VAL  57          1HG2      VAL  57  -6.222   2.136   6.427
  433   2HG2  VAL  57          2HG2      VAL  57  -5.084   0.926   7.022
  434   3HG2  VAL  57          3HG2      VAL  57  -6.643   0.425   6.370
  435    H    LEU  58           H        LEU  58  -1.685   0.793   4.133
  436    HA   LEU  58           HA       LEU  58  -0.899   1.830   6.841
  437   1HB   LEU  58          2HB       LEU  58   0.084  -0.368   5.362
  438   2HB   LEU  58          1HB       LEU  58   1.317   0.888   5.237
  439    HG   LEU  58           HG       LEU  58   1.723  -0.481   7.228
  440   1HD1  LEU  58          1HD1      LEU  58   1.199   1.501   8.958
  441   2HD1  LEU  58          2HD1      LEU  58   0.900   2.378   7.458
  442   3HD1  LEU  58          3HD1      LEU  58   2.473   1.635   7.746
  443   1HD2  LEU  58          1HD2      LEU  58  -1.186   0.045   7.617
  444   2HD2  LEU  58          2HD2      LEU  58  -0.185   0.003   9.069
  445   3HD2  LEU  58          3HD2      LEU  58  -0.244  -1.396   7.997
  446    H    CYS  59           H        CYS  59  -1.093   4.051   6.392
  447    HA   CYS  59           HA       CYS  59   0.019   5.168   3.889
  448   1HB   CYS  59          2HB       CYS  59  -1.155   6.570   6.306
  449   2HB   CYS  59          1HB       CYS  59  -1.045   7.190   4.660
  450    H    CYS  60           H        CYS  60   2.067   6.007   3.763
  451    HA   CYS  60           HA       CYS  60   3.447   6.784   6.304
  452   1HB   CYS  60          2HB       CYS  60   4.013   4.617   4.406
  453   2HB   CYS  60          1HB       CYS  60   5.407   5.653   4.704
  454    H    THR  61           H        THR  61   5.403   8.143   5.838
  455    HA   THR  61           HA       THR  61   5.389   9.494   3.204
  456    HB   THR  61           HB       THR  61   3.866  10.699   4.759
  457    HG1  THR  61           HG1      THR  61   6.335  11.989   4.228
  458   1HG2  THR  61          1HG2      THR  61   5.726  11.872   6.536
  459   2HG2  THR  61          2HG2      THR  61   6.020  10.134   6.590
  460   3HG2  THR  61          3HG2      THR  61   4.412  10.767   6.939
  461    H    THR  62           H        THR  62   7.294   7.653   4.215
  462    HA   THR  62           HA       THR  62   9.691   9.414   4.401
  463    HB   THR  62           HB       THR  62   9.171   8.939   6.698
  464    HG1  THR  62           HG1      THR  62  11.349   8.284   5.718
  465   1HG2  THR  62          1HG2      THR  62   7.541   7.112   6.167
  466   2HG2  THR  62          2HG2      THR  62   8.618   6.717   7.507
  467   3HG2  THR  62          3HG2      THR  62   8.906   6.025   5.910
  468    H    ASP  63           H        ASP  63  11.670   8.229   3.815
  469    HA   ASP  63           HA       ASP  63  11.818   6.790   1.543
  470   1HB   ASP  63          2HB       ASP  63  13.901   5.893   2.373
  471   2HB   ASP  63          1HB       ASP  63  13.661   7.464   3.140
  472    H    ASP  64           H        ASP  64  11.237   4.800   0.742
  473    HA   ASP  64           HA       ASP  64  10.443   2.565   0.712
  474   1HB   ASP  64          2HB       ASP  64  12.000   2.916   3.083
  475   2HB   ASP  64          1HB       ASP  64  10.604   1.919   3.494
  476    H    CYS  65           H        CYS  65   9.397   3.500   4.044
  477    HA   CYS  65           HA       CYS  65   6.786   2.461   3.821
  478   1HB   CYS  65          2HB       CYS  65   8.309   3.668   5.723
  479   2HB   CYS  65          1HB       CYS  65   7.178   4.972   5.364
  480    H    ASN  66           HN       ASN  66   8.110   5.546   2.756
  481    HA   ASN  66           HA       ASN  66   5.691   6.970   2.265
  482   1HB   ASN  66          2HB       ASN  66   7.196   8.207   0.647
  483   2HB   ASN  66          1HB       ASN  66   7.875   8.022   2.263
  484   1HD2  ASN  66          1HD2      ASN  66   9.843   8.423   0.524
  485   2HD2  ASN  66          2HD2      ASN  66  10.611   6.988   0.042
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  11.157  12.500  -4.154
    2   2H    MET   1          2H        MET   1  12.494  11.893  -3.298
    3   3H    MET   1          3H        MET   1  11.722  13.314  -2.777
    4    HA   MET   1           HA       MET   1  11.228  10.988  -1.645
    5   1HB   MET   1          2HB       MET   1   9.529  13.391  -2.300
    6   2HB   MET   1          1HB       MET   1   8.901  12.114  -1.259
    7   1HG   MET   1          2HG       MET   1  11.208  12.402  -0.015
    8   2HG   MET   1          1HG       MET   1  11.192  13.991  -0.780
    9   1HE   MET   1          1HE       MET   1   8.384  11.603   0.736
   10   2HE   MET   1          2HE       MET   1   8.354  12.275   2.364
   11   3HE   MET   1          3HE       MET   1   9.847  11.589   1.730
   12    H    LYS   2           H        LYS   2  10.821   9.042  -2.698
   13    HA   LYS   2           HA       LYS   2   8.438   8.968  -4.523
   14   1HB   LYS   2          2HB       LYS   2  11.082   7.485  -4.687
   15   2HB   LYS   2          1HB       LYS   2   9.720   7.232  -5.777
   16   1HG   LYS   2          2HG       LYS   2  10.009   9.261  -6.839
   17   2HG   LYS   2          1HG       LYS   2  10.697  10.030  -5.409
   18   1HD   LYS   2          2HD       LYS   2  12.381   7.845  -6.297
   19   2HD   LYS   2          1HD       LYS   2  12.112   8.994  -7.608
   20   1HE   LYS   2          2HE       LYS   2  13.039  10.796  -6.382
   21   2HE   LYS   2          1HE       LYS   2  12.873   9.939  -4.836
   22   1HZ   LYS   2          1HZ       LYS   2  15.095   9.615  -5.401
   23   2HZ   LYS   2          2HZ       LYS   2  14.755   9.398  -7.050
   24   3HZ   LYS   2          3HZ       LYS   2  14.353   8.185  -5.930
   25    H    CYS   3           H        CYS   3   7.577   6.638  -4.675
   26    HA   CYS   3           HA       CYS   3   7.865   5.226  -2.040
   27   1HB   CYS   3          2HB       CYS   3   5.784   6.642  -2.381
   28   2HB   CYS   3          1HB       CYS   3   5.345   5.557  -3.700
   29    H    LYS   4           H        LYS   4   8.768   3.254  -2.480
   30    HA   LYS   4           HA       LYS   4   8.566   2.030  -5.141
   31   1HB   LYS   4          2HB       LYS   4  10.586   2.063  -3.617
   32   2HB   LYS   4          1HB       LYS   4   9.724   0.946  -2.557
   33   1HG   LYS   4          2HG       LYS   4  10.177  -0.811  -3.895
   34   2HG   LYS   4          1HG       LYS   4   9.642   0.064  -5.331
   35   1HD   LYS   4          2HD       LYS   4  12.182   1.070  -4.272
   36   2HD   LYS   4          1HD       LYS   4  12.264  -0.625  -4.756
   37   1HE   LYS   4          2HE       LYS   4  10.778   0.926  -6.717
   38   2HE   LYS   4          1HE       LYS   4  12.409   1.584  -6.479
   39   1HZ   LYS   4          1HZ       LYS   4  12.153  -1.319  -6.534
   40   2HZ   LYS   4          2HZ       LYS   4  13.391  -0.327  -7.144
   41   3HZ   LYS   4          3HZ       LYS   4  11.946  -0.520  -8.015
   42    H    ILE   5           H        ILE   5   7.344   0.202  -5.660
   43    HA   ILE   5           HA       ILE   5   5.626  -0.959  -3.492
   44    HB   ILE   5           HB       ILE   5   4.871  -0.165  -6.324
   45   1HG1  ILE   5          2HG1      ILE   5   3.210   1.137  -4.529
   46   2HG1  ILE   5          1HG1      ILE   5   4.776   1.183  -3.717
   47   1HG2  ILE   5          1HG2      ILE   5   3.325  -1.807  -6.041
   48   2HG2  ILE   5          2HG2      ILE   5   2.545  -0.661  -4.951
   49   3HG2  ILE   5          3HG2      ILE   5   3.613  -1.905  -4.303
   50   1HD1  ILE   5          1HD1      ILE   5   4.806   3.116  -5.064
   51   2HD1  ILE   5          2HD1      ILE   5   4.025   2.297  -6.416
   52   3HD1  ILE   5          3HD1      ILE   5   5.706   1.939  -6.020
   53    H    CYS   6           H        CYS   6   5.839  -3.159  -3.421
   54    HA   CYS   6           HA       CYS   6   6.946  -4.544  -5.840
   55   1HB   CYS   6          2HB       CYS   6   7.422  -4.630  -2.926
   56   2HB   CYS   6          1HB       CYS   6   7.345  -6.212  -3.701
   57    H    ASN   7           H        ASN   7   5.584  -6.213  -3.077
   58    HA   ASN   7           HA       ASN   7   2.937  -6.628  -4.229
   59   1HB   ASN   7          2HB       ASN   7   5.113  -8.085  -5.276
   60   2HB   ASN   7          1HB       ASN   7   4.251  -9.212  -4.229
   61   1HD2  ASN   7          1HD2      ASN   7   2.866 -10.409  -5.547
   62   2HD2  ASN   7          2HD2      ASN   7   1.861  -9.751  -6.747
   63    H    PHE   8           H        PHE   8   2.689  -9.331  -3.131
   64    HA   PHE   8           HA       PHE   8   2.385  -8.607  -0.292
   65   1HB   PHE   8          2HB       PHE   8   0.578  -9.748  -1.383
   66   2HB   PHE   8          1HB       PHE   8   1.663 -10.984  -2.022
   67    HD1  PHE   8           HD1      PHE   8   1.816 -13.014  -0.886
   68    HD2  PHE   8           HD2      PHE   8   0.648  -9.487   1.269
   69    HE1  PHE   8           HE1      PHE   8   1.469 -14.377   1.156
   70    HE2  PHE   8           HE2      PHE   8   0.300 -10.851   3.312
   71    HZ   PHE   8           HZ       PHE   8   0.711 -13.296   3.255
   72    H    ASP   9           H        ASP   9   4.229  -8.800   0.940
   73    HA   ASP   9           HA       ASP   9   6.195  -9.744   1.857
   74   1HB   ASP   9          2HB       ASP   9   4.244 -11.950   1.286
   75   2HB   ASP   9          1HB       ASP   9   5.847 -12.376   1.889
   76    H    THR  10           H        THR  10   6.374  -9.112  -0.978
   77    HA   THR  10           HA       THR  10   8.690 -10.746  -1.670
   78    HB   THR  10           HB       THR  10   6.798 -12.237  -2.243
   79    HG1  THR  10           HG1      THR  10   8.478 -12.473  -3.609
   80   1HG2  THR  10          1HG2      THR  10   4.930 -11.509  -3.287
   81   2HG2  THR  10          2HG2      THR  10   5.854 -10.602  -4.484
   82   3HG2  THR  10          3HG2      THR  10   5.510  -9.887  -2.909
   83    H    CYS  11           H        CYS  11   9.277 -10.137  -4.124
   84    HA   CYS  11           HA       CYS  11   8.470  -7.318  -4.692
   85   1HB   CYS  11          2HB       CYS  11  11.029  -8.364  -3.713
   86   2HB   CYS  11          1HB       CYS  11  11.202  -7.398  -5.178
   87    H    ARG  12           H        ARG  12   7.456  -9.307  -6.223
   88    HA   ARG  12           HA       ARG  12   9.217 -10.016  -8.452
   89   1HB   ARG  12          2HB       ARG  12   6.428 -10.480  -7.528
   90   2HB   ARG  12          1HB       ARG  12   6.703 -10.614  -9.266
   91   1HG   ARG  12          2HG       ARG  12   8.843 -12.002  -8.347
   92   2HG   ARG  12          1HG       ARG  12   7.686 -12.335  -7.058
   93   1HD   ARG  12          2HD       ARG  12   6.024 -12.853  -9.021
   94   2HD   ARG  12          1HD       ARG  12   7.505 -13.044  -9.979
   95    HE   ARG  12           HE       ARG  12   8.069 -14.471  -7.693
   96   1HH1  ARG  12          1HH2      ARG  12   4.873 -14.394  -8.498
   97   2HH1  ARG  12          2HH2      ARG  12   4.728 -16.068  -8.920
   98   1HH2  ARG  12          2HH1      ARG  12   8.145 -16.656  -8.853
   99   2HH2  ARG  12          1HH1      ARG  12   6.580 -17.349  -9.120
  100    H    ALA  13           H        ALA  13   7.374  -7.275  -7.598
  101    HA   ALA  13           HA       ALA  13   6.973  -6.434 -10.431
  102   1HB   ALA  13          1HB       ALA  13   6.045  -4.477  -8.637
  103   2HB   ALA  13          2HB       ALA  13   5.706  -6.017  -7.847
  104   3HB   ALA  13          3HB       ALA  13   5.067  -5.693  -9.459
  105    H    GLY  14           H        GLY  14   7.777  -4.486  -7.562
  106   1HA   GLY  14          2HA       GLY  14   9.717  -3.177  -7.143
  107   2HA   GLY  14          1HA       GLY  14  10.408  -3.770  -8.655
  108    H    GLU  15           H        GLU  15   7.246  -2.214  -8.190
  109    HA   GLU  15           HA       GLU  15   8.091  -0.144 -10.178
  110   1HB   GLU  15          2HB       GLU  15   5.449  -1.311  -9.271
  111   2HB   GLU  15          1HB       GLU  15   5.537   0.120 -10.299
  112   1HG   GLU  15          2HG       GLU  15   7.227  -1.497 -11.649
  113   2HG   GLU  15          1HG       GLU  15   6.162  -2.714 -10.943
  114    H    LEU  16           H        LEU  16   8.527   1.860  -9.343
  115    HA   LEU  16           HA       LEU  16   7.332   2.580  -6.690
  116   1HB   LEU  16          2HB       LEU  16   9.707   2.510  -6.582
  117   2HB   LEU  16          1HB       LEU  16   9.879   3.298  -8.150
  118    HG   LEU  16           HG       LEU  16   8.395   4.805  -6.058
  119   1HD1  LEU  16          1HD1      LEU  16  11.330   5.143  -5.950
  120   2HD1  LEU  16          2HD1      LEU  16  10.732   3.634  -5.260
  121   3HD1  LEU  16          3HD1      LEU  16  10.143   5.179  -4.646
  122   1HD2  LEU  16          1HD2      LEU  16   8.766   6.423  -7.582
  123   2HD2  LEU  16          2HD2      LEU  16   9.638   5.262  -8.584
  124   3HD2  LEU  16          3HD2      LEU  16  10.508   6.222  -7.387
  125    H    LYS  17           H        LYS  17   6.568   4.791  -6.444
  126    HA   LYS  17           HA       LYS  17   6.141   6.314  -8.978
  127   1HB   LYS  17          2HB       LYS  17   3.766   6.503  -8.427
  128   2HB   LYS  17          1HB       LYS  17   4.211   4.796  -8.458
  129   1HG   LYS  17          2HG       LYS  17   4.324   4.694  -6.062
  130   2HG   LYS  17          1HG       LYS  17   4.191   6.448  -5.923
  131   1HD   LYS  17          2HD       LYS  17   2.019   5.548  -5.429
  132   2HD   LYS  17          1HD       LYS  17   1.923   6.262  -7.039
  133   1HE   LYS  17          2HE       LYS  17   2.759   3.657  -7.555
  134   2HE   LYS  17          1HE       LYS  17   1.578   3.467  -6.243
  135   1HZ   LYS  17          1HZ       LYS  17   1.218   4.716  -8.889
  136   2HZ   LYS  17          2HZ       LYS  17   0.252   5.210  -7.582
  137   3HZ   LYS  17          3HZ       LYS  17   0.226   3.591  -8.096
  138    H    VAL  18           H        VAL  18   4.366   8.188  -7.608
  139    HA   VAL  18           HA       VAL  18   6.243   9.376  -5.599
  140    HB   VAL  18           HB       VAL  18   5.492  11.567  -6.716
  141   1HG1  VAL  18          1HG1      VAL  18   7.613  11.297  -7.446
  142   2HG1  VAL  18          2HG1      VAL  18   6.923  10.579  -8.902
  143   3HG1  VAL  18          3HG1      VAL  18   7.416   9.548  -7.558
  144   1HG2  VAL  18          1HG2      VAL  18   3.554  10.576  -7.905
  145   2HG2  VAL  18          2HG2      VAL  18   4.660   9.589  -8.859
  146   3HG2  VAL  18          3HG2      VAL  18   4.677  11.343  -9.027
  147    H    CYS  19           H        CYS  19   5.209   9.869  -3.707
  148    HA   CYS  19           HA       CYS  19   2.244  10.327  -3.783
  149   1HB   CYS  19          2HB       CYS  19   3.925   8.733  -1.819
  150   2HB   CYS  19          1HB       CYS  19   2.203   9.059  -1.623
  151    H    ALA  20           H        ALA  20   4.765  10.406  -1.248
  152    HA   ALA  20           HA       ALA  20   3.713  12.795  -0.022
  153   1HB   ALA  20          1HB       ALA  20   5.037  11.904   1.574
  154   2HB   ALA  20          2HB       ALA  20   6.454  12.375   0.636
  155   3HB   ALA  20          3HB       ALA  20   5.723  10.788   0.394
  156    H    SER  21           H        SER  21   3.711  13.962  -2.284
  157    HA   SER  21           HA       SER  21   6.371  15.092  -2.991
  158   1HB   SER  21          2HB       SER  21   5.041  14.318  -4.828
  159   2HB   SER  21          1HB       SER  21   3.597  15.110  -4.204
  160    HG   SER  21           HG       SER  21   5.771  16.149  -5.589
  161    H    GLY  22           H        GLY  22   4.965  15.824  -0.456
  162   1HA   GLY  22          2HA       GLY  22   5.542  18.417  -0.020
  163   2HA   GLY  22          1HA       GLY  22   4.043  18.588  -0.936
  164    H    GLU  23           H        GLU  23   2.673  16.320   0.063
  165    HA   GLU  23           HA       GLU  23   2.645  16.324   2.974
  166   1HB   GLU  23          2HB       GLU  23   1.707  18.589   2.201
  167   2HB   GLU  23          1HB       GLU  23   0.329  17.682   1.576
  168   1HG   GLU  23          2HG       GLU  23   0.330  16.620   3.996
  169   2HG   GLU  23          1HG       GLU  23   1.190  18.101   4.418
  170    H    LYS  24           H        LYS  24   2.728  14.222   1.124
  171    HA   LYS  24           HA       LYS  24  -0.002  13.015   1.447
  172   1HB   LYS  24          2HB       LYS  24   1.793  13.363  -0.895
  173   2HB   LYS  24          1HB       LYS  24   0.997  11.794  -0.767
  174   1HG   LYS  24          2HG       LYS  24  -0.473  14.435  -0.563
  175   2HG   LYS  24          1HG       LYS  24  -0.315  13.523  -2.064
  176   1HD   LYS  24          2HD       LYS  24  -1.269  11.528  -0.719
  177   2HD   LYS  24          1HD       LYS  24  -1.770  12.741   0.460
  178   1HE   LYS  24          2HE       LYS  24  -2.936  13.973  -1.424
  179   2HE   LYS  24          1HE       LYS  24  -2.597  12.570  -2.457
  180   1HZ   LYS  24          1HZ       LYS  24  -4.735  12.766  -0.832
  181   2HZ   LYS  24          2HZ       LYS  24  -3.644  11.919   0.158
  182   3HZ   LYS  24          3HZ       LYS  24  -4.069  11.300  -1.365
  183    H    TYR  25           H        TYR  25  -0.004  10.840   2.104
  184    HA   TYR  25           HA       TYR  25   2.669   9.684   2.831
  185   1HB   TYR  25          2HB       TYR  25  -0.004   9.904   4.111
  186   2HB   TYR  25          1HB       TYR  25   0.838   8.375   4.357
  187    HD1  TYR  25           HD1      TYR  25   2.396  11.722   3.891
  188    HD2  TYR  25           HD2      TYR  25   1.470   8.560   6.646
  189    HE1  TYR  25           HE1      TYR  25   3.834  12.794   5.604
  190    HE2  TYR  25           HE2      TYR  25   2.908   9.630   8.358
  191    HH   TYR  25           HH       TYR  25   3.724  12.502   8.537
  192    H    CYS  26           H        CYS  26   3.118   7.573   2.104
  193    HA   CYS  26           HA       CYS  26   1.402   6.471   0.010
  194   1HB   CYS  26          2HB       CYS  26   4.083   6.364   0.725
  195   2HB   CYS  26          1HB       CYS  26   3.502   4.748   1.133
  196    H    PHE  27           H        PHE  27  -0.322   5.152   0.411
  197    HA   PHE  27           HA       PHE  27  -0.540   3.880   3.104
  198   1HB   PHE  27          2HB       PHE  27  -2.898   3.998   2.720
  199   2HB   PHE  27          1HB       PHE  27  -2.244   5.523   2.124
  200    HD1  PHE  27           HD1      PHE  27  -3.910   2.408   1.237
  201    HD2  PHE  27           HD2      PHE  27  -1.887   5.857  -0.336
  202    HE1  PHE  27           HE1      PHE  27  -4.836   1.927  -1.012
  203    HE2  PHE  27           HE2      PHE  27  -2.814   5.374  -2.585
  204    HZ   PHE  27           HZ       PHE  27  -4.288   3.409  -2.923
  205    H    LYS  28           H        LYS  28  -0.140   1.710   3.198
  206    HA   LYS  28           HA       LYS  28  -0.140   0.103   0.704
  207   1HB   LYS  28          2HB       LYS  28   1.689   0.095   2.474
  208   2HB   LYS  28          1HB       LYS  28   0.536  -0.692   3.552
  209   1HG   LYS  28          2HG       LYS  28   0.395  -2.130   1.137
  210   2HG   LYS  28          1HG       LYS  28   2.114  -1.852   1.416
  211   1HD   LYS  28          2HD       LYS  28   0.240  -2.910   3.547
  212   2HD   LYS  28          1HD       LYS  28   1.196  -3.954   2.493
  213   1HE   LYS  28          2HE       LYS  28   3.265  -2.726   3.280
  214   2HE   LYS  28          1HE       LYS  28   2.241  -1.913   4.481
  215   1HZ   LYS  28          1HZ       LYS  28   2.398  -4.859   4.130
  216   2HZ   LYS  28          2HZ       LYS  28   1.547  -4.024   5.340
  217   3HZ   LYS  28          3HZ       LYS  28   3.245  -3.998   5.320
  218    H    GLU  29           H        GLU  29  -1.781  -1.358   0.248
  219    HA   GLU  29           HA       GLU  29  -3.815  -1.854   2.400
  220   1HB   GLU  29          2HB       GLU  29  -4.316  -0.270   0.402
  221   2HB   GLU  29          1HB       GLU  29  -4.386  -1.746  -0.560
  222   1HG   GLU  29          2HG       GLU  29  -5.920  -2.421   1.618
  223   2HG   GLU  29          1HG       GLU  29  -6.298  -0.709   1.425
  224    H    SER  30           H        SER  30  -4.574  -3.979   2.570
  225    HA   SER  30           HA       SER  30  -3.497  -5.987   0.623
  226   1HB   SER  30          2HB       SER  30  -2.563  -5.537   3.186
  227   2HB   SER  30          1HB       SER  30  -3.719  -6.842   3.430
  228    HG   SER  30           HG       SER  30  -2.636  -7.943   1.695
  229    H    TRP  31           H        TRP  31  -5.256  -7.003  -0.256
  230    HA   TRP  31           HA       TRP  31  -7.840  -7.019   1.178
  231   1HB   TRP  31          2HB       TRP  31  -6.989  -6.805  -1.456
  232   2HB   TRP  31          1HB       TRP  31  -7.612  -8.453  -1.371
  233    HD1  TRP  31           HD1      TRP  31 -10.103  -8.511   0.109
  234    HE1  TRP  31           HE1      TRP  31 -12.146  -7.009  -0.351
  235    HE3  TRP  31           HE3      TRP  31  -7.842  -4.694  -2.421
  236    HZ2  TRP  31           HZ2      TRP  31 -12.743  -4.518  -1.623
  237    HZ3  TRP  31           HZ3      TRP  31  -9.171  -2.771  -3.244
  238    HH2  TRP  31           HH2      TRP  31 -11.616  -2.678  -2.850
  239    H    ARG  32           H        ARG  32  -8.507  -8.763   2.365
  240    HA   ARG  32           HA       ARG  32  -6.915 -11.264   2.276
  241   1HB   ARG  32          2HB       ARG  32  -7.736  -9.880   4.340
  242   2HB   ARG  32          1HB       ARG  32  -9.282 -10.676   4.047
  243   1HG   ARG  32          2HG       ARG  32  -7.418 -12.743   3.870
  244   2HG   ARG  32          1HG       ARG  32  -6.841 -11.761   5.218
  245   1HD   ARG  32          2HD       ARG  32  -9.158 -11.829   6.191
  246   2HD   ARG  32          1HD       ARG  32  -9.612 -12.966   4.906
  247    HE   ARG  32           HE       ARG  32  -7.169 -13.746   6.295
  248   1HH1  ARG  32          2HH1      ARG  32  -9.047 -15.745   5.202
  249   2HH1  ARG  32          1HH1      ARG  32  -9.846 -16.341   6.618
  250   1HH2  ARG  32          1HH2      ARG  32  -8.869 -13.675   8.611
  251   2HH2  ARG  32          2HH2      ARG  32  -9.746 -15.168   8.551
  252    H    GLU  33           H        GLU  33  -7.981 -11.486  -0.042
  253    HA   GLU  33           HA       GLU  33 -10.773 -12.238  -0.205
  254   1HB   GLU  33          2HB       GLU  33  -8.540 -11.753  -1.894
  255   2HB   GLU  33          1HB       GLU  33  -9.119 -13.374  -2.274
  256   1HG   GLU  33          2HG       GLU  33 -11.187 -12.623  -2.988
  257   2HG   GLU  33          1HG       GLU  33 -11.144 -11.197  -1.951
  258    H    ALA  34           H        ALA  34 -11.679 -14.313  -0.121
  259    HA   ALA  34           HA       ALA  34 -10.444 -16.348   1.434
  260   1HB   ALA  34          1HB       ALA  34 -12.584 -17.060   1.322
  261   2HB   ALA  34          2HB       ALA  34 -12.409 -17.394  -0.401
  262   3HB   ALA  34          3HB       ALA  34 -12.908 -15.792   0.140
  263    H    ARG  35           H        ARG  35 -10.036 -15.531  -1.897
  264    HA   ARG  35           HA       ARG  35  -9.077 -18.219  -2.676
  265   1HB   ARG  35          2HB       ARG  35  -9.144 -15.551  -4.127
  266   2HB   ARG  35          1HB       ARG  35  -8.848 -17.123  -4.872
  267   1HG   ARG  35          2HG       ARG  35 -11.210 -17.490  -3.434
  268   2HG   ARG  35          1HG       ARG  35 -11.380 -15.881  -4.137
  269   1HD   ARG  35          2HD       ARG  35 -10.536 -18.315  -5.744
  270   2HD   ARG  35          1HD       ARG  35 -12.207 -17.727  -5.651
  271    HE   ARG  35           HE       ARG  35 -10.199 -15.689  -6.349
  272   1HH1  ARG  35          2HH1      ARG  35 -10.791 -18.185  -8.258
  273   2HH1  ARG  35          1HH1      ARG  35 -11.794 -17.385  -9.422
  274   1HH2  ARG  35          1HH2      ARG  35 -12.251 -14.555  -7.470
  275   2HH2  ARG  35          2HH2      ARG  35 -12.620 -15.328  -8.975
  276    H    GLY  36           H        GLY  36  -7.768 -15.799  -0.881
  277   1HA   GLY  36          2HA       GLY  36  -5.225 -16.548  -0.554
  278   2HA   GLY  36          1HA       GLY  36  -5.097 -15.827  -2.159
  279    H    THR  37           H        THR  37  -3.837 -14.038  -1.552
  280    HA   THR  37           HA       THR  37  -5.304 -11.936  -0.035
  281    HB   THR  37           HB       THR  37  -2.985 -11.581   1.138
  282    HG1  THR  37           HG1      THR  37  -1.581 -13.053   0.700
  283   1HG2  THR  37          1HG2      THR  37  -4.815 -12.196   2.495
  284   2HG2  THR  37          2HG2      THR  37  -3.623 -13.460   2.799
  285   3HG2  THR  37          3HG2      THR  37  -4.978 -13.767   1.713
  286    H    ARG  38           H        ARG  38  -5.008  -9.952  -1.000
  287    HA   ARG  38           HA       ARG  38  -2.820  -9.711  -3.042
  288   1HB   ARG  38          2HB       ARG  38  -5.708  -9.113  -2.968
  289   2HB   ARG  38          1HB       ARG  38  -4.725  -7.815  -3.646
  290   1HG   ARG  38          2HG       ARG  38  -3.583  -9.695  -5.030
  291   2HG   ARG  38          1HG       ARG  38  -4.997 -10.660  -4.601
  292   1HD   ARG  38          2HD       ARG  38  -6.068  -8.199  -5.413
  293   2HD   ARG  38          1HD       ARG  38  -4.775  -8.536  -6.580
  294    HE   ARG  38           HE       ARG  38  -6.680 -10.719  -5.882
  295   1HH1  ARG  38          2HH1      ARG  38  -4.600 -10.864  -8.091
  296   2HH1  ARG  38          1HH1      ARG  38  -5.575 -10.581  -9.495
  297   1HH2  ARG  38          1HH2      ARG  38  -8.264  -9.325  -7.702
  298   2HH2  ARG  38          2HH2      ARG  38  -7.649  -9.710  -9.274
  299    H    ILE  39           H        ILE  39  -1.910  -7.496  -3.249
  300    HA   ILE  39           HA       ILE  39  -2.415  -5.670  -0.956
  301    HB   ILE  39           HB       ILE  39  -0.622  -7.471  -0.494
  302   1HG1  ILE  39          2HG1      ILE  39   0.171  -4.545  -0.338
  303   2HG1  ILE  39          1HG1      ILE  39  -0.872  -5.378   0.817
  304   1HG2  ILE  39          1HG2      ILE  39   0.499  -7.444  -2.645
  305   2HG2  ILE  39          2HG2      ILE  39   1.627  -6.865  -1.419
  306   3HG2  ILE  39          3HG2      ILE  39   0.831  -5.718  -2.496
  307   1HD1  ILE  39          1HD1      ILE  39   0.946  -6.094   1.931
  308   2HD1  ILE  39          2HD1      ILE  39   1.991  -5.292   0.758
  309   3HD1  ILE  39          3HD1      ILE  39   1.479  -6.959   0.489
  310    H    GLU  40           H        GLU  40  -2.190  -3.534  -1.585
  311    HA   GLU  40           HA       GLU  40  -0.632  -2.910  -4.053
  312   1HB   GLU  40          2HB       GLU  40  -3.572  -2.741  -3.582
  313   2HB   GLU  40          1HB       GLU  40  -2.834  -1.409  -4.471
  314   1HG   GLU  40          2HG       GLU  40  -2.556  -4.347  -5.171
  315   2HG   GLU  40          1HG       GLU  40  -3.597  -3.193  -6.005
  316    H    ARG  41           H        ARG  41  -0.042  -0.630  -4.165
  317    HA   ARG  41           HA       ARG  41  -0.335   0.803  -1.543
  318   1HB   ARG  41          2HB       ARG  41   1.916   0.299  -3.439
  319   2HB   ARG  41          1HB       ARG  41   1.903   1.847  -2.595
  320   1HG   ARG  41          2HG       ARG  41   1.913   0.787  -0.451
  321   2HG   ARG  41          1HG       ARG  41   1.562  -0.792  -1.157
  322   1HD   ARG  41          2HD       ARG  41   3.808  -1.144  -1.166
  323   2HD   ARG  41          1HD       ARG  41   3.897   0.061  -2.466
  324    HE   ARG  41           HE       ARG  41   4.770   1.576  -0.885
  325   1HH1  ARG  41          1HH2      ARG  41   4.717  -1.215   0.768
  326   2HH1  ARG  41          2HH2      ARG  41   4.296  -0.561   2.315
  327   1HH2  ARG  41          2HH1      ARG  41   3.473   2.567   1.065
  328   2HH2  ARG  41          1HH1      ARG  41   3.591   1.579   2.483
  329    H    GLY  42           H        GLY  42   0.602   3.282  -2.297
  330   1HA   GLY  42          2HA       GLY  42  -0.133   4.459  -4.692
  331   2HA   GLY  42          1HA       GLY  42  -1.651   4.349  -3.799
  332    H    CYS  43           H        CYS  43  -1.567   6.755  -3.844
  333    HA   CYS  43           HA       CYS  43   0.224   7.821  -1.680
  334   1HB   CYS  43          2HB       CYS  43  -0.869   9.374  -4.036
  335   2HB   CYS  43          1HB       CYS  43   0.473   9.810  -2.981
  336    H    ALA  44           H        ALA  44  -1.095   8.204   0.077
  337    HA   ALA  44           HA       ALA  44  -3.545   9.831  -0.330
  338   1HB   ALA  44          1HB       ALA  44  -4.797   8.124   1.089
  339   2HB   ALA  44          2HB       ALA  44  -3.424   7.043   0.849
  340   3HB   ALA  44          3HB       ALA  44  -4.375   7.582  -0.536
  341    H    ALA  45           H        ALA  45  -4.543  10.179   2.021
  342    HA   ALA  45           HA       ALA  45  -2.286  10.526   3.969
  343   1HB   ALA  45          1HB       ALA  45  -2.707  12.661   3.001
  344   2HB   ALA  45          2HB       ALA  45  -3.572  12.688   4.537
  345   3HB   ALA  45          3HB       ALA  45  -4.453  12.416   3.034
  346    H    THR  46           H        THR  46  -5.433   9.325   3.388
  347    HA   THR  46           HA       THR  46  -5.889   9.038   6.341
  348    HB   THR  46           HB       THR  46  -7.911   9.450   4.113
  349    HG1  THR  46           HG1      THR  46  -8.111  11.493   4.992
  350   1HG2  THR  46          1HG2      THR  46  -9.011   8.213   5.791
  351   2HG2  THR  46          2HG2      THR  46  -9.389   9.887   6.196
  352   3HG2  THR  46          3HG2      THR  46  -8.135   9.025   7.089
  353    H    CYS  47           H        CYS  47  -5.542   7.485   3.308
  354    HA   CYS  47           HA       CYS  47  -6.061   5.302   2.550
  355   1HB   CYS  47          2HB       CYS  47  -5.284   4.483   5.328
  356   2HB   CYS  47          1HB       CYS  47  -4.748   3.843   3.784
  357    HA   PRO  48           HA       PRO  48  -9.978   5.071   5.140
  358   1HB   PRO  48          2HB       PRO  48 -11.734   5.843   3.188
  359   2HB   PRO  48          1HB       PRO  48 -10.952   6.989   4.295
  360   1HG   PRO  48          2HG       PRO  48 -10.285   6.328   1.473
  361   2HG   PRO  48          1HG       PRO  48 -10.240   7.888   2.308
  362   1HD   PRO  48          2HD       PRO  48  -8.021   6.379   1.792
  363   2HD   PRO  48          1HD       PRO  48  -8.144   7.528   3.144
  364    H    LYS  49           H        LYS  49 -10.115   2.825   5.164
  365    HA   LYS  49           HA       LYS  49 -11.557   1.481   3.021
  366   1HB   LYS  49          2HB       LYS  49  -8.653   1.653   3.008
  367   2HB   LYS  49          1HB       LYS  49  -9.186  -0.026   3.083
  368   1HG   LYS  49          2HG       LYS  49  -9.631   0.066   0.879
  369   2HG   LYS  49          1HG       LYS  49 -10.891   1.251   1.225
  370   1HD   LYS  49          2HD       LYS  49  -9.624   2.992   0.496
  371   2HD   LYS  49          1HD       LYS  49  -8.155   2.354   1.238
  372   1HE   LYS  49          2HE       LYS  49  -7.986   0.680  -0.613
  373   2HE   LYS  49          1HE       LYS  49  -9.394   1.441  -1.383
  374   1HZ   LYS  49          1HZ       LYS  49  -6.908   2.257  -1.829
  375   2HZ   LYS  49          2HZ       LYS  49  -7.277   3.225  -0.481
  376   3HZ   LYS  49          3HZ       LYS  49  -8.241   3.305  -1.878
  377    H    GLY  50           H        GLY  50 -10.673  -1.155   3.577
  378   1HA   GLY  50          2HA       GLY  50 -10.779  -2.856   5.209
  379   2HA   GLY  50          1HA       GLY  50 -10.568  -1.616   6.446
  380    H    SER  51           H        SER  51 -12.618  -3.938   5.890
  381    HA   SER  51           HA       SER  51 -14.945  -2.362   6.863
  382   1HB   SER  51          2HB       SER  51 -15.208  -2.316   4.462
  383   2HB   SER  51          1HB       SER  51 -14.842  -4.034   4.336
  384    HG   SER  51           HG       SER  51 -17.192  -2.817   4.808
  385    H    VAL  52           H        VAL  52 -14.997  -5.595   5.443
  386    HA   VAL  52           HA       VAL  52 -15.941  -6.713   8.011
  387    HB   VAL  52           HB       VAL  52 -15.475  -8.022   5.320
  388   1HG1  VAL  52          1HG1      VAL  52 -17.645  -8.749   7.242
  389   2HG1  VAL  52          2HG1      VAL  52 -16.000  -9.263   7.615
  390   3HG1  VAL  52          3HG1      VAL  52 -16.762  -9.773   6.109
  391   1HG2  VAL  52          1HG2      VAL  52 -17.239  -6.888   4.497
  392   2HG2  VAL  52          2HG2      VAL  52 -17.203  -5.881   5.945
  393   3HG2  VAL  52          3HG2      VAL  52 -18.221  -7.320   5.897
  394    H    TYR  53           H        TYR  53 -13.123  -5.858   7.749
  395    HA   TYR  53           HA       TYR  53 -11.032  -6.678   8.511
  396   1HB   TYR  53          2HB       TYR  53 -12.812  -8.061   9.873
  397   2HB   TYR  53          1HB       TYR  53 -12.336  -9.377   8.800
  398    HD1  TYR  53           HD1      TYR  53 -10.502  -6.595  10.539
  399    HD2  TYR  53           HD2      TYR  53 -10.806 -10.816   9.800
  400    HE1  TYR  53           HE1      TYR  53  -8.475  -6.983  11.914
  401    HE2  TYR  53           HE2      TYR  53  -8.779 -11.203  11.175
  402    HH   TYR  53           HH       TYR  53  -6.845 -10.016  11.973
  403    H    GLY  54           H        GLY  54 -11.500  -6.584   5.740
  404   1HA   GLY  54          2HA       GLY  54  -9.940  -8.971   4.853
  405   2HA   GLY  54          1HA       GLY  54 -11.357  -8.466   3.932
  406    H    LEU  55           H        LEU  55  -9.603  -5.895   5.367
  407    HA   LEU  55           HA       LEU  55  -7.931  -5.467   2.946
  408   1HB   LEU  55          2HB       LEU  55 -10.381  -3.978   3.787
  409   2HB   LEU  55          1HB       LEU  55  -9.055  -3.038   3.101
  410    HG   LEU  55           HG       LEU  55  -9.241  -5.247   1.415
  411   1HD1  LEU  55          1HD1      LEU  55 -11.955  -4.369   2.404
  412   2HD1  LEU  55          2HD1      LEU  55 -11.343  -6.009   2.183
  413   3HD1  LEU  55          3HD1      LEU  55 -11.743  -5.019   0.778
  414   1HD2  LEU  55          1HD2      LEU  55 -10.815  -3.088   0.378
  415   2HD2  LEU  55          2HD2      LEU  55  -9.144  -3.501  -0.005
  416   3HD2  LEU  55          3HD2      LEU  55  -9.498  -2.404   1.330
  417    H    TYR  56           H        TYR  56  -6.089  -5.581   4.344
  418    HA   TYR  56           HA       TYR  56  -5.898  -3.922   6.749
  419   1HB   TYR  56          2HB       TYR  56  -4.806  -6.190   6.226
  420   2HB   TYR  56          1HB       TYR  56  -3.687  -5.294   5.199
  421    HD1  TYR  56           HD1      TYR  56  -1.816  -4.202   6.127
  422    HD2  TYR  56           HD2      TYR  56  -5.035  -5.451   8.683
  423    HE1  TYR  56           HE1      TYR  56  -0.465  -3.605   8.121
  424    HE2  TYR  56           HE2      TYR  56  -3.686  -4.852  10.676
  425    HH   TYR  56           HH       TYR  56  -1.413  -2.940  10.848
  426    H    VAL  57           H        VAL  57  -5.592  -1.729   6.560
  427    HA   VAL  57           HA       VAL  57  -3.939  -0.741   4.260
  428    HB   VAL  57           HB       VAL  57  -6.136   0.675   5.796
  429   1HG1  VAL  57          1HG1      VAL  57  -6.025   2.322   4.083
  430   2HG1  VAL  57          2HG1      VAL  57  -5.038   1.290   3.049
  431   3HG1  VAL  57          3HG1      VAL  57  -4.346   1.995   4.510
  432   1HG2  VAL  57          1HG2      VAL  57  -7.385   0.228   3.568
  433   2HG2  VAL  57          2HG2      VAL  57  -7.242  -1.111   4.706
  434   3HG2  VAL  57          3HG2      VAL  57  -6.176  -1.028   3.303
  435    H    LEU  58           H        LEU  58  -2.326   0.782   4.730
  436    HA   LEU  58           HA       LEU  58  -2.050   1.788   7.516
  437   1HB   LEU  58          2HB       LEU  58  -0.897  -0.327   7.573
  438   2HB   LEU  58          1HB       LEU  58  -0.109  -0.005   6.029
  439    HG   LEU  58           HG       LEU  58   0.322   1.988   8.200
  440   1HD1  LEU  58          1HD1      LEU  58   0.818  -0.821   8.582
  441   2HD1  LEU  58          2HD1      LEU  58   1.173   0.516   9.674
  442   3HD1  LEU  58          3HD1      LEU  58   2.359   0.028   8.464
  443   1HD2  LEU  58          1HD2      LEU  58   1.536   1.087   5.700
  444   2HD2  LEU  58          2HD2      LEU  58   2.722   1.227   6.997
  445   3HD2  LEU  58          3HD2      LEU  58   1.735   2.619   6.550
  446    H    CYS  59           H        CYS  59  -1.236   3.873   7.471
  447    HA   CYS  59           HA       CYS  59  -0.290   4.919   4.839
  448   1HB   CYS  59          2HB       CYS  59  -0.915   6.546   7.301
  449   2HB   CYS  59          1HB       CYS  59  -1.063   7.011   5.609
  450    H    CYS  60           H        CYS  60   1.776   5.810   4.626
  451    HA   CYS  60           HA       CYS  60   3.432   6.294   7.022
  452   1HB   CYS  60          2HB       CYS  60   5.205   4.725   5.804
  453   2HB   CYS  60          1HB       CYS  60   4.009   4.049   6.902
  454    H    THR  61           H        THR  61   5.701   7.052   6.259
  455    HA   THR  61           HA       THR  61   5.810   8.154   3.544
  456    HB   THR  61           HB       THR  61   4.379   9.683   4.962
  457    HG1  THR  61           HG1      THR  61   5.305  11.433   4.086
  458   1HG2  THR  61          1HG2      THR  61   6.985   9.859   6.483
  459   2HG2  THR  61          2HG2      THR  61   5.386   9.463   7.112
  460   3HG2  THR  61          3HG2      THR  61   5.745  11.108   6.587
  461    H    THR  62           H        THR  62   7.912   9.695   3.522
  462    HA   THR  62           HA       THR  62  10.267   9.750   3.754
  463    HB   THR  62           HB       THR  62   9.836   8.578   6.494
  464    HG1  THR  62           HG1      THR  62   9.139  11.193   5.647
  465   1HG2  THR  62          1HG2      THR  62  11.582  10.094   7.115
  466   2HG2  THR  62          2HG2      THR  62  11.437  10.982   5.598
  467   3HG2  THR  62          3HG2      THR  62  12.092   9.344   5.603
  468    H    ASP  63           H        ASP  63  11.241   8.178   2.494
  469    HA   ASP  63           HA       ASP  63  12.209   6.089   1.942
  470   1HB   ASP  63          2HB       ASP  63  12.790   6.573   4.498
  471   2HB   ASP  63          1HB       ASP  63  11.719   5.197   4.762
  472    H    ASP  64           H        ASP  64  11.198   4.391   0.908
  473    HA   ASP  64           HA       ASP  64   9.585   2.702   0.474
  474   1HB   ASP  64          2HB       ASP  64   9.999   2.824   3.246
  475   2HB   ASP  64          1HB       ASP  64   8.246   2.816   3.054
  476    H    CYS  65           H        CYS  65   7.735   4.692   2.860
  477    HA   CYS  65           HA       CYS  65   5.592   4.978   0.835
  478   1HB   CYS  65          2HB       CYS  65   5.818   5.717   3.766
  479   2HB   CYS  65          1HB       CYS  65   4.337   5.794   2.810
  480    H    ASN  66           HN       ASN  66   8.267   6.558   0.874
  481    HA   ASN  66           HA       ASN  66   7.296   9.326   1.290
  482   1HB   ASN  66          2HB       ASN  66   9.705   9.815   0.732
  483   2HB   ASN  66          1HB       ASN  66   9.506   8.700   2.085
  484   1HD2  ASN  66          1HD2      ASN  66  11.420   9.095  -0.541
  485   2HD2  ASN  66          2HD2      ASN  66  11.720   7.476  -0.950
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1  13.334  12.668  -3.053
    2   2H    MET   1          2H        MET   1  12.183  13.900  -2.837
    3   3H    MET   1          3H        MET   1  12.129  12.916  -4.222
    4    HA   MET   1           HA       MET   1  11.983  11.496  -1.685
    5   1HB   MET   1          2HB       MET   1   9.960  13.512  -2.683
    6   2HB   MET   1          1HB       MET   1   9.509  12.199  -1.595
    7   1HG   MET   1          2HG       MET   1  11.178  12.967   0.043
    8   2HG   MET   1          1HG       MET   1  11.659  14.267  -1.047
    9   1HE   MET   1          1HE       MET   1   8.779  13.421   1.826
   10   2HE   MET   1          2HE       MET   1   8.900  12.411   0.387
   11   3HE   MET   1          3HE       MET   1   7.529  13.501   0.577
   12    H    LYS   2           H        LYS   2  11.108   9.474  -2.145
   13    HA   LYS   2           HA       LYS   2   9.600   9.072  -4.673
   14   1HB   LYS   2          2HB       LYS   2  12.164   7.608  -3.962
   15   2HB   LYS   2          1HB       LYS   2  11.202   7.374  -5.422
   16   1HG   LYS   2          2HG       LYS   2  11.569   9.837  -5.925
   17   2HG   LYS   2          1HG       LYS   2  12.746   9.847  -4.612
   18   1HD   LYS   2          2HD       LYS   2  14.234   9.241  -6.219
   19   2HD   LYS   2          1HD       LYS   2  13.528   7.635  -6.034
   20   1HE   LYS   2          2HE       LYS   2  11.897   8.151  -7.836
   21   2HE   LYS   2          1HE       LYS   2  12.657   9.740  -8.047
   22   1HZ   LYS   2          1HZ       LYS   2  14.033   7.114  -8.264
   23   2HZ   LYS   2          2HZ       LYS   2  14.777   8.633  -8.423
   24   3HZ   LYS   2          3HZ       LYS   2  13.626   8.124  -9.564
   25    H    CYS   3           H        CYS   3   8.755   6.767  -4.758
   26    HA   CYS   3           HA       CYS   3   8.544   5.534  -2.031
   27   1HB   CYS   3          2HB       CYS   3   6.620   7.058  -2.687
   28   2HB   CYS   3          1HB       CYS   3   6.268   5.931  -3.997
   29    H    LYS   4           H        LYS   4   8.924   3.352  -2.116
   30    HA   LYS   4           HA       LYS   4   9.224   2.038  -4.747
   31   1HB   LYS   4          2HB       LYS   4  10.885   1.857  -2.893
   32   2HB   LYS   4          1HB       LYS   4   9.660   1.052  -1.911
   33   1HG   LYS   4          2HG       LYS   4   9.697  -0.879  -3.195
   34   2HG   LYS   4          1HG       LYS   4  10.240  -0.029  -4.643
   35   1HD   LYS   4          2HD       LYS   4  12.314   0.389  -2.845
   36   2HD   LYS   4          1HD       LYS   4  11.822  -1.274  -2.520
   37   1HE   LYS   4          2HE       LYS   4  11.800  -1.358  -5.217
   38   2HE   LYS   4          1HE       LYS   4  13.047  -0.118  -4.977
   39   1HZ   LYS   4          1HZ       LYS   4  14.336  -1.939  -4.652
   40   2HZ   LYS   4          2HZ       LYS   4  13.037  -2.921  -4.165
   41   3HZ   LYS   4          3HZ       LYS   4  13.726  -1.816  -3.074
   42    H    ILE   5           H        ILE   5   7.656   0.704  -5.599
   43    HA   ILE   5           HA       ILE   5   5.338  -0.010  -3.850
   44    HB   ILE   5           HB       ILE   5   5.751   0.230  -6.842
   45   1HG1  ILE   5          2HG1      ILE   5   3.522   1.669  -5.706
   46   2HG1  ILE   5          1HG1      ILE   5   4.989   2.048  -4.804
   47   1HG2  ILE   5          1HG2      ILE   5   3.976  -1.103  -7.190
   48   2HG2  ILE   5          2HG2      ILE   5   3.002  -0.126  -6.090
   49   3HG2  ILE   5          3HG2      ILE   5   3.946  -1.480  -5.467
   50   1HD1  ILE   5          1HD1      ILE   5   6.117   2.818  -6.743
   51   2HD1  ILE   5          2HD1      ILE   5   4.492   3.490  -6.880
   52   3HD1  ILE   5          3HD1      ILE   5   4.940   2.068  -7.822
   53    H    CYS   6           H        CYS   6   5.302  -2.083  -3.128
   54    HA   CYS   6           HA       CYS   6   6.942  -4.157  -4.492
   55   1HB   CYS   6          2HB       CYS   6   5.447  -4.040  -1.851
   56   2HB   CYS   6          1HB       CYS   6   6.460  -5.387  -2.367
   57    H    ASN   7           H        ASN   7   5.352  -6.381  -3.552
   58    HA   ASN   7           HA       ASN   7   2.608  -6.188  -4.414
   59   1HB   ASN   7          2HB       ASN   7   2.803  -7.060  -6.644
   60   2HB   ASN   7          1HB       ASN   7   3.975  -5.747  -6.522
   61   1HD2  ASN   7          1HD2      ASN   7   3.770  -8.692  -7.868
   62   2HD2  ASN   7          2HD2      ASN   7   5.357  -9.256  -7.653
   63    H    PHE   8           H        PHE   8   1.524  -8.207  -4.232
   64    HA   PHE   8           HA       PHE   8   1.174 -10.335  -3.269
   65   1HB   PHE   8          2HB       PHE   8   3.307 -10.366  -5.249
   66   2HB   PHE   8          1HB       PHE   8   3.502 -11.668  -4.074
   67    HD1  PHE   8           HD1      PHE   8   1.632 -13.287  -3.680
   68    HD2  PHE   8           HD2      PHE   8   1.519 -10.383  -6.842
   69    HE1  PHE   8           HE1      PHE   8  -0.186 -14.562  -4.786
   70    HE2  PHE   8           HE2      PHE   8  -0.299 -11.657  -7.947
   71    HZ   PHE   8           HZ       PHE   8  -1.151 -13.746  -6.919
   72    H    ASP   9           H        ASP   9   1.974  -8.799  -1.233
   73    HA   ASP   9           HA       ASP   9   2.901  -8.988   0.935
   74   1HB   ASP   9          2HB       ASP   9   2.750 -11.573  -0.207
   75   2HB   ASP   9          1HB       ASP   9   4.320 -11.469   0.590
   76    H    THR  10           H        THR  10   5.174 -10.062  -1.654
   77    HA   THR  10           HA       THR  10   7.392  -8.791  -0.120
   78    HB   THR  10           HB       THR  10   8.717 -10.108  -1.909
   79    HG1  THR  10           HG1      THR  10   6.677 -10.316  -3.165
   80   1HG2  THR  10          1HG2      THR  10   7.021 -11.969  -0.295
   81   2HG2  THR  10          2HG2      THR  10   7.993 -10.770   0.558
   82   3HG2  THR  10          3HG2      THR  10   8.772 -11.944  -0.502
   83    H    CYS  11           H        CYS  11   9.147  -8.084  -2.016
   84    HA   CYS  11           HA       CYS  11   7.684  -6.020  -3.617
   85   1HB   CYS  11          2HB       CYS  11   9.634  -5.777  -1.724
   86   2HB   CYS  11          1HB       CYS  11  10.613  -5.854  -3.189
   87    H    ARG  12           H        ARG  12   7.768  -8.579  -4.758
   88    HA   ARG  12           HA       ARG  12  10.039  -9.149  -6.386
   89   1HB   ARG  12          2HB       ARG  12   7.067  -9.675  -6.660
   90   2HB   ARG  12          1HB       ARG  12   8.270 -10.392  -7.733
   91   1HG   ARG  12          2HG       ARG  12   9.283 -10.852  -5.173
   92   2HG   ARG  12          1HG       ARG  12   7.550 -11.143  -5.011
   93   1HD   ARG  12          2HD       ARG  12   7.569 -12.917  -6.524
   94   2HD   ARG  12          1HD       ARG  12   9.001 -12.304  -7.377
   95    HE   ARG  12           HE       ARG  12  10.113 -12.790  -4.996
   96   1HH1  ARG  12          2HH1      ARG  12   7.401 -14.415  -4.713
   97   2HH1  ARG  12          1HH1      ARG  12   8.025 -16.017  -4.929
   98   1HH2  ARG  12          1HH2      ARG  12  11.089 -14.943  -6.146
   99   2HH2  ARG  12          2HH2      ARG  12  10.114 -16.316  -5.742
  100    H    ALA  13           H        ALA  13   7.732  -6.621  -6.563
  101    HA   ALA  13           HA       ALA  13   8.147  -6.147  -9.463
  102   1HB   ALA  13          1HB       ALA  13   6.557  -4.623  -7.374
  103   2HB   ALA  13          2HB       ALA  13   5.917  -5.968  -8.316
  104   3HB   ALA  13          3HB       ALA  13   6.399  -4.476  -9.124
  105    H    GLY  14           H        GLY  14   8.753  -4.551  -6.323
  106   1HA   GLY  14          2HA       GLY  14  10.188  -2.776  -5.771
  107   2HA   GLY  14          1HA       GLY  14  11.257  -3.468  -6.992
  108    H    GLU  15           H        GLU  15   8.022  -2.064  -7.481
  109    HA   GLU  15           HA       GLU  15   9.131  -0.351  -9.621
  110   1HB   GLU  15          2HB       GLU  15   6.558  -1.474  -8.754
  111   2HB   GLU  15          1HB       GLU  15   6.428   0.189  -9.327
  112   1HG   GLU  15          2HG       GLU  15   6.800  -0.417 -11.472
  113   2HG   GLU  15          1HG       GLU  15   8.166  -1.439 -11.023
  114    H    LEU  16           H        LEU  16  10.366   1.164  -8.292
  115    HA   LEU  16           HA       LEU  16   8.818   2.815  -6.367
  116   1HB   LEU  16          2HB       LEU  16  10.948   2.021  -5.607
  117   2HB   LEU  16          1HB       LEU  16  11.738   2.513  -7.106
  118    HG   LEU  16           HG       LEU  16  10.342   4.706  -5.729
  119   1HD1  LEU  16          1HD1      LEU  16  12.836   4.400  -4.359
  120   2HD1  LEU  16          2HD1      LEU  16  11.906   2.916  -4.148
  121   3HD1  LEU  16          3HD1      LEU  16  11.214   4.467  -3.670
  122   1HD2  LEU  16          1HD2      LEU  16  11.907   4.883  -7.696
  123   2HD2  LEU  16          2HD2      LEU  16  13.219   4.377  -6.633
  124   3HD2  LEU  16          3HD2      LEU  16  12.372   5.893  -6.327
  125    H    LYS  17           H        LYS  17   8.574   5.071  -6.642
  126    HA   LYS  17           HA       LYS  17   9.650   6.400  -9.039
  127   1HB   LYS  17          2HB       LYS  17   7.460   5.015  -9.494
  128   2HB   LYS  17          1HB       LYS  17   6.662   6.343  -8.648
  129   1HG   LYS  17          2HG       LYS  17   6.610   7.294 -10.722
  130   2HG   LYS  17          1HG       LYS  17   8.276   7.734 -10.343
  131   1HD   LYS  17          2HD       LYS  17   8.246   6.679 -12.528
  132   2HD   LYS  17          1HD       LYS  17   9.017   5.575 -11.388
  133   1HE   LYS  17          2HE       LYS  17   7.522   4.020 -12.116
  134   2HE   LYS  17          1HE       LYS  17   6.300   4.933 -11.207
  135   1HZ   LYS  17          1HZ       LYS  17   6.060   4.603 -13.781
  136   2HZ   LYS  17          2HZ       LYS  17   7.128   5.923 -13.840
  137   3HZ   LYS  17          3HZ       LYS  17   5.630   6.074 -13.053
  138    H    VAL  18           H        VAL  18   7.190   8.270  -8.614
  139    HA   VAL  18           HA       VAL  18   8.316   9.667  -6.216
  140    HB   VAL  18           HB       VAL  18   7.454  11.693  -7.442
  141   1HG1  VAL  18          1HG1      VAL  18   9.093  10.789  -9.563
  142   2HG1  VAL  18          2HG1      VAL  18   9.659   9.952  -8.118
  143   3HG1  VAL  18          3HG1      VAL  18   9.597  11.714  -8.149
  144   1HG2  VAL  18          1HG2      VAL  18   6.202  11.486  -9.326
  145   2HG2  VAL  18          2HG2      VAL  18   5.979   9.807  -8.834
  146   3HG2  VAL  18          3HG2      VAL  18   7.252  10.228  -9.980
  147    H    CYS  19           H        CYS  19   6.792  10.640  -4.760
  148    HA   CYS  19           HA       CYS  19   3.903  10.338  -5.226
  149   1HB   CYS  19          2HB       CYS  19   4.527   8.083  -4.566
  150   2HB   CYS  19          1HB       CYS  19   5.438   8.699  -3.187
  151    H    ALA  20           H        ALA  20   5.553  10.237  -2.098
  152    HA   ALA  20           HA       ALA  20   4.121  12.446  -1.004
  153   1HB   ALA  20          1HB       ALA  20   5.270  10.626   0.245
  154   2HB   ALA  20          2HB       ALA  20   5.772  12.221   0.808
  155   3HB   ALA  20          3HB       ALA  20   6.826  11.289  -0.255
  156    H    SER  21           H        SER  21   4.301  14.268  -2.427
  157    HA   SER  21           HA       SER  21   7.052  15.437  -2.682
  158   1HB   SER  21          2HB       SER  21   4.819  14.999  -4.482
  159   2HB   SER  21          1HB       SER  21   5.239  16.708  -4.428
  160    HG   SER  21           HG       SER  21   6.596  15.860  -5.907
  161    H    GLY  22           H        GLY  22   3.926  15.837  -1.292
  162   1HA   GLY  22          2HA       GLY  22   4.758  18.436  -0.160
  163   2HA   GLY  22          1HA       GLY  22   3.268  18.440  -1.106
  164    H    GLU  23           H        GLU  23   1.629  16.716  -0.413
  165    HA   GLU  23           HA       GLU  23   1.801  16.084   2.500
  166   1HB   GLU  23          2HB       GLU  23  -0.574  16.992   2.653
  167   2HB   GLU  23          1HB       GLU  23   0.674  18.209   2.386
  168   1HG   GLU  23          2HG       GLU  23  -0.041  18.673   0.265
  169   2HG   GLU  23          1HG       GLU  23  -0.485  16.997  -0.060
  170    H    LYS  24           H        LYS  24   2.137  13.925   1.268
  171    HA   LYS  24           HA       LYS  24  -0.446  12.517   1.174
  172   1HB   LYS  24          2HB       LYS  24   0.063  11.732  -1.193
  173   2HB   LYS  24          1HB       LYS  24  -0.374  13.435  -1.055
  174   1HG   LYS  24          2HG       LYS  24   2.392  13.398  -0.657
  175   2HG   LYS  24          1HG       LYS  24   2.121  12.247  -1.967
  176   1HD   LYS  24          2HD       LYS  24   0.605  14.798  -2.126
  177   2HD   LYS  24          1HD       LYS  24   2.347  14.907  -2.384
  178   1HE   LYS  24          2HE       LYS  24   2.052  14.135  -4.491
  179   2HE   LYS  24          1HE       LYS  24   1.405  12.622  -3.826
  180   1HZ   LYS  24          1HZ       LYS  24  -0.116  14.143  -5.267
  181   2HZ   LYS  24          2HZ       LYS  24  -0.276  15.034  -3.830
  182   3HZ   LYS  24          3HZ       LYS  24  -0.740  13.399  -3.877
  183    H    TYR  25           H        TYR  25  -0.076  10.509   2.031
  184    HA   TYR  25           HA       TYR  25   2.738   9.503   2.110
  185   1HB   TYR  25          2HB       TYR  25   0.255   8.749   3.689
  186   2HB   TYR  25          1HB       TYR  25   1.894   8.195   4.018
  187    HD1  TYR  25           HD1      TYR  25   0.268   9.600   6.080
  188    HD2  TYR  25           HD2      TYR  25   2.887  11.155   3.051
  189    HE1  TYR  25           HE1      TYR  25   0.672  11.617   7.464
  190    HE2  TYR  25           HE2      TYR  25   3.291  13.172   4.436
  191    HH   TYR  25           HH       TYR  25   2.949  13.448   7.421
  192    H    CYS  26           H        CYS  26   3.209   7.439   1.266
  193    HA   CYS  26           HA       CYS  26   1.565   6.387  -0.823
  194   1HB   CYS  26          2HB       CYS  26   4.045   5.735   0.630
  195   2HB   CYS  26          1HB       CYS  26   3.215   4.325  -0.030
  196    H    PHE  27           H        PHE  27  -0.503   5.727  -0.264
  197    HA   PHE  27           HA       PHE  27  -1.084   4.346   2.240
  198   1HB   PHE  27          2HB       PHE  27  -2.707   5.832   1.278
  199   2HB   PHE  27          1HB       PHE  27  -2.622   5.012  -0.281
  200    HD1  PHE  27           HD1      PHE  27  -2.628   3.275   2.986
  201    HD2  PHE  27           HD2      PHE  27  -4.951   4.397  -0.448
  202    HE1  PHE  27           HE1      PHE  27  -4.429   1.727   3.700
  203    HE2  PHE  27           HE2      PHE  27  -6.753   2.850   0.267
  204    HZ   PHE  27           HZ       PHE  27  -6.492   1.514   2.340
  205    H    LYS  28           H        LYS  28  -1.145   2.158   2.557
  206    HA   LYS  28           HA       LYS  28  -0.924   0.379   0.149
  207   1HB   LYS  28          2HB       LYS  28   0.701   0.744   2.513
  208   2HB   LYS  28          1HB       LYS  28   0.076  -0.904   2.470
  209   1HG   LYS  28          2HG       LYS  28   1.069  -1.356   0.379
  210   2HG   LYS  28          1HG       LYS  28   1.289   0.356   0.014
  211   1HD   LYS  28          2HD       LYS  28   2.935   0.513   1.874
  212   2HD   LYS  28          1HD       LYS  28   2.758  -1.221   2.147
  213   1HE   LYS  28          2HE       LYS  28   3.443  -0.242  -0.615
  214   2HE   LYS  28          1HE       LYS  28   4.720  -0.374   0.611
  215   1HZ   LYS  28          1HZ       LYS  28   4.539  -2.603   0.696
  216   2HZ   LYS  28          2HZ       LYS  28   3.855  -2.442  -0.851
  217   3HZ   LYS  28          3HZ       LYS  28   2.852  -2.589   0.512
  218    H    GLU  29           H        GLU  29  -2.717  -0.909  -0.061
  219    HA   GLU  29           HA       GLU  29  -4.272  -1.570   2.421
  220   1HB   GLU  29          2HB       GLU  29  -5.429  -0.003   0.958
  221   2HB   GLU  29          1HB       GLU  29  -5.141  -1.042  -0.437
  222   1HG   GLU  29          2HG       GLU  29  -6.497  -2.824   0.616
  223   2HG   GLU  29          1HG       GLU  29  -6.805  -1.765   1.993
  224    H    SER  30           H        SER  30  -4.156  -3.728   2.876
  225    HA   SER  30           HA       SER  30  -3.495  -5.642   0.688
  226   1HB   SER  30          2HB       SER  30  -2.442  -6.817   2.351
  227   2HB   SER  30          1HB       SER  30  -2.508  -5.278   3.203
  228    HG   SER  30           HG       SER  30  -4.058  -7.585   3.508
  229    H    TRP  31           H        TRP  31  -5.357  -6.362  -0.309
  230    HA   TRP  31           HA       TRP  31  -7.893  -6.600   1.142
  231   1HB   TRP  31          2HB       TRP  31  -8.013  -5.886  -1.113
  232   2HB   TRP  31          1HB       TRP  31  -6.875  -7.119  -1.653
  233    HD1  TRP  31           HD1      TRP  31 -10.488  -6.751  -0.384
  234    HE1  TRP  31           HE1      TRP  31 -11.856  -8.765  -1.234
  235    HE3  TRP  31           HE3      TRP  31  -6.766  -9.492  -2.555
  236    HZ2  TRP  31           HZ2      TRP  31 -11.428 -11.214  -2.648
  237    HZ3  TRP  31           HZ3      TRP  31  -7.273 -11.659  -3.645
  238    HH2  TRP  31           HH2      TRP  31  -9.597 -12.523  -3.694
  239    H    ARG  32           H        ARG  32  -8.419  -8.391   2.318
  240    HA   ARG  32           HA       ARG  32  -6.994 -10.959   1.734
  241   1HB   ARG  32          2HB       ARG  32  -8.149  -9.598   4.144
  242   2HB   ARG  32          1HB       ARG  32  -8.067 -11.362   4.137
  243   1HG   ARG  32          2HG       ARG  32  -5.584 -10.311   3.144
  244   2HG   ARG  32          1HG       ARG  32  -5.963  -9.531   4.680
  245   1HD   ARG  32          2HD       ARG  32  -6.615 -12.256   5.045
  246   2HD   ARG  32          1HD       ARG  32  -5.044 -12.235   4.220
  247    HE   ARG  32           HE       ARG  32  -4.735 -10.263   6.096
  248   1HH1  ARG  32          2HH1      ARG  32  -5.160 -13.646   6.008
  249   2HH1  ARG  32          1HH1      ARG  32  -4.953 -13.868   7.714
  250   1HH2  ARG  32          1HH2      ARG  32  -4.774 -10.474   8.401
  251   2HH2  ARG  32          2HH2      ARG  32  -4.736 -12.072   9.069
  252    H    GLU  33           H        GLU  33  -8.332 -12.945   1.890
  253    HA   GLU  33           HA       GLU  33 -11.233 -12.794   1.944
  254   1HB   GLU  33          2HB       GLU  33  -9.894 -12.076  -0.443
  255   2HB   GLU  33          1HB       GLU  33 -10.562 -13.685  -0.726
  256   1HG   GLU  33          2HG       GLU  33 -12.501 -12.089   0.677
  257   2HG   GLU  33          1HG       GLU  33 -11.950 -11.212  -0.750
  258    H    ALA  34           H        ALA  34 -11.831 -15.044   0.402
  259    HA   ALA  34           HA       ALA  34 -10.400 -17.174   1.922
  260   1HB   ALA  34          1HB       ALA  34 -12.470 -18.457   0.941
  261   2HB   ALA  34          2HB       ALA  34 -13.073 -16.840   0.577
  262   3HB   ALA  34          3HB       ALA  34 -12.723 -17.298   2.244
  263    H    ARG  35           H        ARG  35 -11.177 -16.120  -1.368
  264    HA   ARG  35           HA       ARG  35 -10.156 -18.509  -2.674
  265   1HB   ARG  35          2HB       ARG  35 -10.641 -15.674  -3.651
  266   2HB   ARG  35          1HB       ARG  35 -10.412 -17.084  -4.688
  267   1HG   ARG  35          2HG       ARG  35 -12.395 -18.141  -3.505
  268   2HG   ARG  35          1HG       ARG  35 -12.685 -16.571  -2.755
  269   1HD   ARG  35          2HD       ARG  35 -12.360 -15.947  -5.454
  270   2HD   ARG  35          1HD       ARG  35 -13.308 -17.447  -5.470
  271    HE   ARG  35           HE       ARG  35 -14.074 -15.045  -3.849
  272   1HH1  ARG  35          1HH2      ARG  35 -15.444 -17.555  -3.084
  273   2HH1  ARG  35          2HH2      ARG  35 -16.861 -17.538  -4.081
  274   1HH2  ARG  35          2HH1      ARG  35 -15.617 -15.151  -6.267
  275   2HH2  ARG  35          1HH1      ARG  35 -16.958 -16.179  -5.884
  276    H    GLY  36           H        GLY  36  -8.811 -15.316  -1.858
  277   1HA   GLY  36          2HA       GLY  36  -6.114 -16.307  -1.798
  278   2HA   GLY  36          1HA       GLY  36  -6.398 -15.439  -3.307
  279    H    THR  37           H        THR  37  -4.821 -13.846  -2.526
  280    HA   THR  37           HA       THR  37  -6.137 -11.728  -0.925
  281    HB   THR  37           HB       THR  37  -3.651 -13.267  -0.154
  282    HG1  THR  37           HG1      THR  37  -5.077 -14.040   1.156
  283   1HG2  THR  37          1HG2      THR  37  -3.062 -10.900  -0.042
  284   2HG2  THR  37          2HG2      THR  37  -3.291 -11.526   1.590
  285   3HG2  THR  37          3HG2      THR  37  -4.549 -10.547   0.837
  286    H    ARG  38           H        ARG  38  -5.283  -9.661  -1.419
  287    HA   ARG  38           HA       ARG  38  -2.934  -9.555  -3.267
  288   1HB   ARG  38          2HB       ARG  38  -5.334  -9.594  -4.319
  289   2HB   ARG  38          1HB       ARG  38  -5.425  -7.929  -3.742
  290   1HG   ARG  38          2HG       ARG  38  -3.622  -7.232  -5.096
  291   2HG   ARG  38          1HG       ARG  38  -3.061  -8.886  -5.352
  292   1HD   ARG  38          2HD       ARG  38  -5.552  -9.100  -6.396
  293   2HD   ARG  38          1HD       ARG  38  -5.218  -7.392  -6.750
  294    HE   ARG  38           HE       ARG  38  -3.094  -8.152  -7.838
  295   1HH1  ARG  38          1HH2      ARG  38  -5.970  -9.872  -8.096
  296   2HH1  ARG  38          2HH2      ARG  38  -5.274 -11.261  -8.862
  297   1HH2  ARG  38          2HH1      ARG  38  -2.004 -10.191  -8.426
  298   2HH2  ARG  38          1HH1      ARG  38  -3.028 -11.442  -9.050
  299    H    ILE  39           H        ILE  39  -2.216  -7.188  -3.526
  300    HA   ILE  39           HA       ILE  39  -2.909  -5.513  -1.150
  301    HB   ILE  39           HB       ILE  39  -0.918  -6.986  -0.721
  302   1HG1  ILE  39          2HG1      ILE  39  -0.218  -4.044  -0.978
  303   2HG1  ILE  39          1HG1      ILE  39  -1.194  -4.718   0.328
  304   1HG2  ILE  39          1HG2      ILE  39  -0.182  -6.945  -3.146
  305   2HG2  ILE  39          2HG2      ILE  39   1.110  -6.664  -1.979
  306   3HG2  ILE  39          3HG2      ILE  39   0.410  -5.308  -2.865
  307   1HD1  ILE  39          1HD1      ILE  39   1.113  -4.550   1.084
  308   2HD1  ILE  39          2HD1      ILE  39   1.677  -5.433  -0.334
  309   3HD1  ILE  39          3HD1      ILE  39   0.703  -6.254   0.886
  310    H    GLU  40           H        GLU  40  -3.367  -3.481  -1.888
  311    HA   GLU  40           HA       GLU  40  -2.195  -2.618  -4.506
  312   1HB   GLU  40          2HB       GLU  40  -4.781  -2.819  -3.718
  313   2HB   GLU  40          1HB       GLU  40  -4.445  -1.162  -3.215
  314   1HG   GLU  40          2HG       GLU  40  -3.345  -1.034  -5.639
  315   2HG   GLU  40          1HG       GLU  40  -4.489  -2.338  -5.962
  316    H    ARG  41           H        ARG  41  -1.335  -0.452  -4.641
  317    HA   ARG  41           HA       ARG  41  -0.772   0.851  -1.995
  318   1HB   ARG  41          2HB       ARG  41   1.065   0.477  -4.386
  319   2HB   ARG  41          1HB       ARG  41   1.496   1.285  -2.878
  320   1HG   ARG  41          2HG       ARG  41   1.943  -0.683  -1.879
  321   2HG   ARG  41          1HG       ARG  41   0.364  -1.326  -2.337
  322   1HD   ARG  41          2HD       ARG  41   2.275  -1.122  -4.583
  323   2HD   ARG  41          1HD       ARG  41   2.735  -2.285  -3.325
  324    HE   ARG  41           HE       ARG  41   0.272  -3.095  -3.554
  325   1HH1  ARG  41          1HH2      ARG  41   0.017  -1.027  -5.879
  326   2HH1  ARG  41          2HH2      ARG  41   0.095  -2.099  -7.237
  327   1HH2  ARG  41          2HH1      ARG  41   1.291  -4.780  -5.391
  328   2HH2  ARG  41          1HH1      ARG  41   0.815  -4.224  -6.961
  329    H    GLY  42           H        GLY  42   0.521   3.101  -2.906
  330   1HA   GLY  42          2HA       GLY  42   0.009   4.636  -4.990
  331   2HA   GLY  42          1HA       GLY  42  -1.648   4.477  -4.404
  332    H    CYS  43           H        CYS  43  -1.187   6.960  -4.308
  333    HA   CYS  43           HA       CYS  43   0.115   7.656  -1.700
  334   1HB   CYS  43          2HB       CYS  43  -0.583   9.365  -4.111
  335   2HB   CYS  43          1HB       CYS  43   0.365   9.876  -2.715
  336    H    ALA  44           H        ALA  44  -1.234   8.309  -0.070
  337    HA   ALA  44           HA       ALA  44  -3.745   9.738  -0.669
  338   1HB   ALA  44          1HB       ALA  44  -4.913   7.793  -0.729
  339   2HB   ALA  44          2HB       ALA  44  -4.624   7.699   1.008
  340   3HB   ALA  44          3HB       ALA  44  -3.543   6.870  -0.111
  341    H    ALA  45           H        ALA  45  -4.966   9.833   1.682
  342    HA   ALA  45           HA       ALA  45  -3.023  10.052   3.906
  343   1HB   ALA  45          1HB       ALA  45  -4.610  12.473   3.050
  344   2HB   ALA  45          2HB       ALA  45  -3.024  12.134   2.357
  345   3HB   ALA  45          3HB       ALA  45  -3.188  12.406   4.091
  346    H    THR  46           H        THR  46  -5.829   8.876   3.020
  347    HA   THR  46           HA       THR  46  -7.366   9.834   5.408
  348    HB   THR  46           HB       THR  46  -9.197   8.563   3.936
  349    HG1  THR  46           HG1      THR  46  -8.675   8.741   1.755
  350   1HG2  THR  46          1HG2      THR  46  -8.181  11.221   2.943
  351   2HG2  THR  46          2HG2      THR  46  -8.917  11.061   4.538
  352   3HG2  THR  46          3HG2      THR  46  -9.850  10.669   3.094
  353    H    CYS  47           H        CYS  47  -6.073   7.006   3.749
  354    HA   CYS  47           HA       CYS  47  -6.142   4.709   4.317
  355   1HB   CYS  47          2HB       CYS  47  -5.662   5.810   7.082
  356   2HB   CYS  47          1HB       CYS  47  -4.893   4.446   6.283
  357    HA   PRO  48           HA       PRO  48 -10.377   4.632   6.011
  358   1HB   PRO  48          2HB       PRO  48 -11.231   2.595   4.395
  359   2HB   PRO  48          1HB       PRO  48 -11.222   4.294   3.884
  360   1HG   PRO  48          2HG       PRO  48  -9.309   2.114   3.236
  361   2HG   PRO  48          1HG       PRO  48  -9.898   3.439   2.222
  362   1HD   PRO  48          2HD       PRO  48  -7.441   3.412   3.438
  363   2HD   PRO  48          1HD       PRO  48  -8.310   4.893   2.980
  364    H    LYS  49           H        LYS  49 -11.587   2.131   6.262
  365    HA   LYS  49           HA       LYS  49  -9.588   0.597   7.896
  366   1HB   LYS  49          2HB       LYS  49 -12.407   1.515   8.325
  367   2HB   LYS  49          1HB       LYS  49 -11.906  -0.001   9.076
  368   1HG   LYS  49          2HG       LYS  49  -9.788   1.501   9.753
  369   2HG   LYS  49          1HG       LYS  49 -10.994   2.783   9.631
  370   1HD   LYS  49          2HD       LYS  49 -12.264   1.945  11.378
  371   2HD   LYS  49          1HD       LYS  49 -11.717   0.288  11.119
  372   1HE   LYS  49          2HE       LYS  49  -9.662   0.663  12.222
  373   2HE   LYS  49          1HE       LYS  49  -9.796   2.425  12.059
  374   1HZ   LYS  49          1HZ       LYS  49 -11.960   1.017  13.430
  375   2HZ   LYS  49          2HZ       LYS  49 -11.328   2.568  13.712
  376   3HZ   LYS  49          3HZ       LYS  49 -10.499   1.195  14.273
  377    H    GLY  50           H        GLY  50 -11.180  -1.628   8.420
  378   1HA   GLY  50          2HA       GLY  50 -11.769  -2.705   5.692
  379   2HA   GLY  50          1HA       GLY  50 -10.886  -3.650   6.891
  380    H    SER  51           H        SER  51 -12.776  -5.167   6.418
  381    HA   SER  51           HA       SER  51 -14.601  -5.199   8.616
  382   1HB   SER  51          2HB       SER  51 -15.248  -3.304   6.709
  383   2HB   SER  51          1HB       SER  51 -16.242  -4.677   6.229
  384    HG   SER  51           HG       SER  51 -16.695  -4.732   8.641
  385    H    VAL  52           H        VAL  52 -15.795  -7.168   8.627
  386    HA   VAL  52           HA       VAL  52 -16.239  -9.407   8.004
  387    HB   VAL  52           HB       VAL  52 -16.217  -7.932   5.354
  388   1HG1  VAL  52          1HG1      VAL  52 -15.844 -10.490   5.268
  389   2HG1  VAL  52          2HG1      VAL  52 -17.171  -9.831   4.313
  390   3HG1  VAL  52          3HG1      VAL  52 -17.501 -10.617   5.858
  391   1HG2  VAL  52          1HG2      VAL  52 -17.939  -7.711   7.468
  392   2HG2  VAL  52          2HG2      VAL  52 -18.708  -8.999   6.540
  393   3HG2  VAL  52          3HG2      VAL  52 -18.402  -7.433   5.789
  394    H    TYR  53           H        TYR  53 -14.535  -8.757   4.996
  395    HA   TYR  53           HA       TYR  53 -12.793 -10.996   5.197
  396   1HB   TYR  53          2HB       TYR  53 -12.676  -8.382   3.663
  397   2HB   TYR  53          1HB       TYR  53 -11.571  -9.725   3.362
  398    HD1  TYR  53           HD1      TYR  53 -14.358  -8.263   2.061
  399    HD2  TYR  53           HD2      TYR  53 -13.057 -12.115   3.444
  400    HE1  TYR  53           HE1      TYR  53 -16.068  -9.353   0.634
  401    HE2  TYR  53           HE2      TYR  53 -14.767 -13.206   2.017
  402    HH   TYR  53           HH       TYR  53 -16.524 -12.882   0.685
  403    H    GLY  54           H        GLY  54 -11.805  -7.553   5.396
  404   1HA   GLY  54          2HA       GLY  54 -10.559  -6.913   7.522
  405   2HA   GLY  54          1HA       GLY  54  -9.655  -8.410   7.291
  406    H    LEU  55           H        LEU  55 -10.363  -5.286   5.734
  407    HA   LEU  55           HA       LEU  55  -8.159  -5.561   3.827
  408   1HB   LEU  55          2HB       LEU  55 -10.184  -3.487   4.631
  409   2HB   LEU  55          1HB       LEU  55  -8.834  -3.025   3.593
  410    HG   LEU  55           HG       LEU  55  -9.818  -5.455   2.543
  411   1HD1  LEU  55          1HD1      LEU  55 -12.201  -4.759   2.072
  412   2HD1  LEU  55          2HD1      LEU  55 -12.011  -3.503   3.297
  413   3HD1  LEU  55          3HD1      LEU  55 -11.894  -5.203   3.751
  414   1HD2  LEU  55          1HD2      LEU  55 -10.492  -3.950   0.646
  415   2HD2  LEU  55          2HD2      LEU  55  -8.849  -3.658   1.219
  416   3HD2  LEU  55          3HD2      LEU  55 -10.153  -2.563   1.682
  417    H    TYR  56           H        TYR  56  -6.052  -5.205   4.396
  418    HA   TYR  56           HA       TYR  56  -5.372  -3.936   6.952
  419   1HB   TYR  56          2HB       TYR  56  -4.270  -5.950   5.835
  420   2HB   TYR  56          1HB       TYR  56  -3.559  -4.814   4.688
  421    HD1  TYR  56           HD1      TYR  56  -3.672  -5.855   8.235
  422    HD2  TYR  56           HD2      TYR  56  -1.796  -3.295   5.343
  423    HE1  TYR  56           HE1      TYR  56  -1.881  -5.326   9.868
  424    HE2  TYR  56           HE2      TYR  56  -0.005  -2.764   6.975
  425    HH   TYR  56           HH       TYR  56   0.161  -4.391  10.116
  426    H    VAL  57           H        VAL  57  -5.784  -1.704   6.847
  427    HA   VAL  57           HA       VAL  57  -4.814  -0.154   4.508
  428    HB   VAL  57           HB       VAL  57  -6.465   0.413   6.981
  429   1HG1  VAL  57          1HG1      VAL  57  -6.567   2.599   5.169
  430   2HG1  VAL  57          2HG1      VAL  57  -4.863   2.259   5.468
  431   3HG1  VAL  57          3HG1      VAL  57  -5.946   2.596   6.819
  432   1HG2  VAL  57          1HG2      VAL  57  -7.504  -0.775   5.034
  433   2HG2  VAL  57          2HG2      VAL  57  -7.095   0.608   4.019
  434   3HG2  VAL  57          3HG2      VAL  57  -8.237   0.798   5.350
  435    H    LEU  58           H        LEU  58  -2.828   0.833   4.570
  436    HA   LEU  58           HA       LEU  58  -1.739   1.818   7.138
  437   1HB   LEU  58          2HB       LEU  58  -1.097  -0.541   7.083
  438   2HB   LEU  58          1HB       LEU  58  -0.451  -0.352   5.453
  439    HG   LEU  58           HG       LEU  58   0.855   1.645   6.832
  440   1HD1  LEU  58          1HD1      LEU  58   0.245   1.040   9.019
  441   2HD1  LEU  58          2HD1      LEU  58   1.793   0.225   8.809
  442   3HD1  LEU  58          3HD1      LEU  58   0.290  -0.685   8.655
  443   1HD2  LEU  58          1HD2      LEU  58   1.541  -1.180   6.058
  444   2HD2  LEU  58          2HD2      LEU  58   2.730  -0.196   6.912
  445   3HD2  LEU  58          3HD2      LEU  58   2.107   0.333   5.350
  446    H    CYS  59           H        CYS  59  -1.213   3.882   6.502
  447    HA   CYS  59           HA       CYS  59  -0.023   4.299   3.793
  448   1HB   CYS  59          2HB       CYS  59  -1.058   6.314   5.809
  449   2HB   CYS  59          1HB       CYS  59  -0.766   6.580   4.090
  450    H    CYS  60           H        CYS  60   2.092   5.020   3.612
  451    HA   CYS  60           HA       CYS  60   3.501   5.857   6.118
  452   1HB   CYS  60          2HB       CYS  60   5.446   4.489   4.793
  453   2HB   CYS  60          1HB       CYS  60   4.418   3.757   6.017
  454    H    THR  61           H        THR  61   5.696   6.865   5.521
  455    HA   THR  61           HA       THR  61   5.937   7.987   2.834
  456    HB   THR  61           HB       THR  61   4.263   9.470   3.667
  457    HG1  THR  61           HG1      THR  61   5.377  11.179   3.220
  458   1HG2  THR  61          1HG2      THR  61   4.359   8.776   6.014
  459   2HG2  THR  61          2HG2      THR  61   4.449  10.534   5.899
  460   3HG2  THR  61          3HG2      THR  61   5.909   9.594   6.208
  461    H    THR  62           H        THR  62   7.782   9.830   3.041
  462    HA   THR  62           HA       THR  62  10.028  10.296   3.616
  463    HB   THR  62           HB       THR  62   9.545   8.794   6.177
  464    HG1  THR  62           HG1      THR  62   8.491  10.832   6.832
  465   1HG2  THR  62          1HG2      THR  62  10.532  11.230   6.825
  466   2HG2  THR  62          2HG2      THR  62  11.177  11.067   5.192
  467   3HG2  THR  62          3HG2      THR  62  11.556   9.853   6.414
  468    H    ASP  63           H        ASP  63  11.161   8.951   2.177
  469    HA   ASP  63           HA       ASP  63  12.549   7.148   1.544
  470   1HB   ASP  63          2HB       ASP  63  13.209   7.708   3.998
  471   2HB   ASP  63          1HB       ASP  63  12.317   6.243   4.413
  472    H    ASP  64           H        ASP  64  12.156   5.110   0.680
  473    HA   ASP  64           HA       ASP  64  10.957   3.127   0.191
  474   1HB   ASP  64          2HB       ASP  64  11.338   3.333   2.936
  475   2HB   ASP  64          1HB       ASP  64   9.615   2.988   2.787
  476    H    CYS  65           H        CYS  65   8.636   4.613   2.525
  477    HA   CYS  65           HA       CYS  65   6.534   4.351   0.450
  478   1HB   CYS  65          2HB       CYS  65   6.692   3.853   3.148
  479   2HB   CYS  65          1HB       CYS  65   5.891   5.424   3.117
  480    H    ASN  66           HN       ASN  66   8.759   6.605   0.850
  481    HA   ASN  66           HA       ASN  66   7.388   9.058   1.384
  482   1HB   ASN  66          2HB       ASN  66   9.952   8.205   0.869
  483   2HB   ASN  66          1HB       ASN  66   9.569   9.099  -0.603
  484   1HD2  ASN  66          1HD2      ASN  66  11.391  10.516   0.532
  485   2HD2  ASN  66          2HD2      ASN  66  10.824  11.746   1.553
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1  13.748  12.015  -2.532
    2   2H    MET   1          2H        MET   1  15.012  10.972  -2.980
    3   3H    MET   1          3H        MET   1  15.016  11.708  -1.448
    4    HA   MET   1           HA       MET   1  14.302   9.276  -1.540
    5   1HB   MET   1          2HB       MET   1  12.779   9.756   0.286
    6   2HB   MET   1          1HB       MET   1  14.039  10.991   0.298
    7   1HG   MET   1          2HG       MET   1  12.338  12.263  -1.292
    8   2HG   MET   1          1HG       MET   1  11.160  11.228  -0.486
    9   1HE   MET   1          1HE       MET   1  11.048  11.255   2.523
   10   2HE   MET   1          2HE       MET   1  10.030  11.701   1.157
   11   3HE   MET   1          3HE       MET   1  10.257  12.836   2.485
   12    H    LYS   2           H        LYS   2  12.267   8.000  -1.739
   13    HA   LYS   2           HA       LYS   2  10.102   9.131  -3.395
   14   1HB   LYS   2          2HB       LYS   2  12.306   7.377  -4.375
   15   2HB   LYS   2          1HB       LYS   2  10.682   7.018  -4.966
   16   1HG   LYS   2          2HG       LYS   2  10.848   8.724  -6.420
   17   2HG   LYS   2          1HG       LYS   2  11.007   9.843  -5.066
   18   1HD   LYS   2          2HD       LYS   2  13.087  10.258  -5.854
   19   2HD   LYS   2          1HD       LYS   2  13.515   8.676  -5.201
   20   1HE   LYS   2          2HE       LYS   2  14.168   8.360  -7.409
   21   2HE   LYS   2          1HE       LYS   2  12.467   7.872  -7.549
   22   1HZ   LYS   2          1HZ       LYS   2  12.068  10.390  -7.828
   23   2HZ   LYS   2          2HZ       LYS   2  12.642   9.504  -9.159
   24   3HZ   LYS   2          3HZ       LYS   2  13.712  10.453  -8.243
   25    H    CYS   3           H        CYS   3   8.832   6.853  -4.176
   26    HA   CYS   3           HA       CYS   3   8.571   5.203  -1.683
   27   1HB   CYS   3          2HB       CYS   3   6.831   6.990  -1.961
   28   2HB   CYS   3          1HB       CYS   3   6.361   6.242  -3.486
   29    H    LYS   4           H        LYS   4   9.156   3.147  -2.277
   30    HA   LYS   4           HA       LYS   4   8.998   2.212  -5.034
   31   1HB   LYS   4          2HB       LYS   4  10.813   1.476  -3.673
   32   2HB   LYS   4          1HB       LYS   4   9.733   1.023  -2.355
   33   1HG   LYS   4          2HG       LYS   4   8.753  -0.750  -3.771
   34   2HG   LYS   4          1HG       LYS   4   9.854  -0.309  -5.076
   35   1HD   LYS   4          2HD       LYS   4  11.666  -0.638  -3.131
   36   2HD   LYS   4          1HD       LYS   4  10.421  -1.723  -2.512
   37   1HE   LYS   4          2HE       LYS   4  10.365  -2.867  -4.743
   38   2HE   LYS   4          1HE       LYS   4  11.725  -1.846  -5.254
   39   1HZ   LYS   4          1HZ       LYS   4  11.774  -3.431  -2.750
   40   2HZ   LYS   4          2HZ       LYS   4  13.080  -2.686  -3.543
   41   3HZ   LYS   4          3HZ       LYS   4  12.338  -4.055  -4.224
   42    H    ILE   5           H        ILE   5   7.014   1.662  -5.863
   43    HA   ILE   5           HA       ILE   5   4.870   0.639  -4.106
   44    HB   ILE   5           HB       ILE   5   4.904   1.017  -7.112
   45   1HG1  ILE   5          2HG1      ILE   5   5.731   3.060  -5.913
   46   2HG1  ILE   5          1HG1      ILE   5   4.190   3.318  -6.732
   47   1HG2  ILE   5          1HG2      ILE   5   2.621   1.416  -5.176
   48   2HG2  ILE   5          2HG2      ILE   5   2.987  -0.170  -5.854
   49   3HG2  ILE   5          3HG2      ILE   5   2.547   1.163  -6.920
   50   1HD1  ILE   5          1HD1      ILE   5   4.056   4.270  -4.495
   51   2HD1  ILE   5          2HD1      ILE   5   4.591   2.748  -3.782
   52   3HD1  ILE   5          3HD1      ILE   5   3.017   2.846  -4.572
   53    H    CYS   6           H        CYS   6   4.359  -1.512  -3.941
   54    HA   CYS   6           HA       CYS   6   4.932  -3.433  -6.071
   55   1HB   CYS   6          2HB       CYS   6   7.087  -2.809  -4.650
   56   2HB   CYS   6          1HB       CYS   6   6.379  -3.930  -3.488
   57    H    ASN   7           H        ASN   7   5.204  -5.546  -3.884
   58    HA   ASN   7           HA       ASN   7   2.638  -5.386  -2.439
   59   1HB   ASN   7          2HB       ASN   7   3.183  -7.458  -4.591
   60   2HB   ASN   7          1HB       ASN   7   1.731  -7.360  -3.595
   61   1HD2  ASN   7          1HD2      ASN   7   3.119  -6.308  -6.540
   62   2HD2  ASN   7          2HD2      ASN   7   1.986  -5.100  -6.913
   63    H    PHE   8           H        PHE   8   2.772  -6.633  -0.574
   64    HA   PHE   8           HA       PHE   8   5.303  -7.930   0.063
   65   1HB   PHE   8          2HB       PHE   8   2.661  -7.388   1.383
   66   2HB   PHE   8          1HB       PHE   8   3.769  -8.537   2.133
   67    HD1  PHE   8           HD1      PHE   8   4.974  -7.565   3.868
   68    HD2  PHE   8           HD2      PHE   8   4.207  -5.278   0.313
   69    HE1  PHE   8           HE1      PHE   8   6.302  -5.684   4.791
   70    HE2  PHE   8           HE2      PHE   8   5.536  -3.398   1.236
   71    HZ   PHE   8           HZ       PHE   8   6.583  -3.602   3.475
   72    H    ASP   9           H        ASP   9   5.708 -10.149   0.179
   73    HA   ASP   9           HA       ASP   9   5.360 -12.467  -0.143
   74   1HB   ASP   9          2HB       ASP   9   3.410 -11.749   1.407
   75   2HB   ASP   9          1HB       ASP   9   2.413 -11.817  -0.046
   76    H    THR  10           H        THR  10   4.921 -10.224  -2.361
   77    HA   THR  10           HA       THR  10   4.734 -12.001  -4.594
   78    HB   THR  10           HB       THR  10   2.465 -12.370  -3.900
   79    HG1  THR  10           HG1      THR  10   2.669 -11.962  -6.111
   80   1HG2  THR  10          1HG2      THR  10   0.977 -10.204  -3.756
   81   2HG2  THR  10          2HG2      THR  10   2.517  -9.409  -3.425
   82   3HG2  THR  10          3HG2      THR  10   1.945 -10.698  -2.366
   83    H    CYS  11           H        CYS  11   6.492 -10.008  -4.297
   84    HA   CYS  11           HA       CYS  11   5.631  -7.415  -5.262
   85   1HB   CYS  11          2HB       CYS  11   7.965  -8.731  -4.262
   86   2HB   CYS  11          1HB       CYS  11   8.398  -7.941  -5.777
   87    H    ARG  12           H        ARG  12   4.487  -7.772  -7.257
   88    HA   ARG  12           HA       ARG  12   5.940  -9.120  -9.468
   89   1HB   ARG  12          2HB       ARG  12   3.146  -8.110  -8.954
   90   2HB   ARG  12          1HB       ARG  12   3.654  -8.551 -10.584
   91   1HG   ARG  12          2HG       ARG  12   4.504 -10.750  -9.423
   92   2HG   ARG  12          1HG       ARG  12   3.360 -10.297  -8.158
   93   1HD   ARG  12          2HD       ARG  12   2.758 -10.839 -11.081
   94   2HD   ARG  12          1HD       ARG  12   2.106 -11.678  -9.659
   95    HE   ARG  12           HE       ARG  12   1.322  -9.144  -9.133
   96   1HH1  ARG  12          2HH1      ARG  12  -0.285 -11.394 -10.658
   97   2HH1  ARG  12          1HH1      ARG  12  -0.991 -10.429 -11.911
   98   1HH2  ARG  12          1HH2      ARG  12   1.080  -7.707 -11.350
   99   2HH2  ARG  12          2HH2      ARG  12  -0.220  -8.342 -12.301
  100    H    ALA  13           H        ALA  13   5.273  -5.965  -8.257
  101    HA   ALA  13           HA       ALA  13   5.870  -4.677 -10.879
  102   1HB   ALA  13          1HB       ALA  13   4.757  -3.802  -8.211
  103   2HB   ALA  13          2HB       ALA  13   3.975  -3.756  -9.792
  104   3HB   ALA  13          3HB       ALA  13   5.269  -2.619  -9.415
  105    H    GLY  14           H        GLY  14   6.731  -3.654  -7.575
  106   1HA   GLY  14          2HA       GLY  14   8.853  -3.256  -6.619
  107   2HA   GLY  14          1HA       GLY  14   9.582  -4.083  -7.998
  108    H    GLU  15           H        GLU  15   7.401  -1.273  -8.054
  109    HA   GLU  15           HA       GLU  15   9.518   0.204  -9.567
  110   1HB   GLU  15          2HB       GLU  15   6.532   0.674  -9.280
  111   2HB   GLU  15          1HB       GLU  15   7.607   1.489 -10.416
  112   1HG   GLU  15          2HG       GLU  15   8.160  -0.767 -11.394
  113   2HG   GLU  15          1HG       GLU  15   6.899  -1.455 -10.371
  114    H    LEU  16           H        LEU  16   8.908   2.782  -9.188
  115    HA   LEU  16           HA       LEU  16   8.436   3.370  -6.343
  116   1HB   LEU  16          2HB       LEU  16  10.748   2.748  -6.292
  117   2HB   LEU  16          1HB       LEU  16  11.089   3.649  -7.769
  118    HG   LEU  16           HG       LEU  16  10.019   5.585  -6.104
  119   1HD1  LEU  16          1HD1      LEU  16  12.058   4.350  -4.359
  120   2HD1  LEU  16          2HD1      LEU  16  10.505   3.515  -4.410
  121   3HD1  LEU  16          3HD1      LEU  16  10.580   5.211  -3.932
  122   1HD2  LEU  16          1HD2      LEU  16  12.530   6.160  -5.783
  123   2HD2  LEU  16          2HD2      LEU  16  11.913   6.085  -7.434
  124   3HD2  LEU  16          3HD2      LEU  16  12.837   4.734  -6.775
  125    H    LYS  17           H        LYS  17   7.885   5.566  -6.030
  126    HA   LYS  17           HA       LYS  17   8.070   7.409  -8.363
  127   1HB   LYS  17          2HB       LYS  17   5.812   5.906  -7.737
  128   2HB   LYS  17          1HB       LYS  17   5.481   7.467  -6.986
  129   1HG   LYS  17          2HG       LYS  17   6.044   8.581  -9.151
  130   2HG   LYS  17          1HG       LYS  17   6.232   6.988  -9.884
  131   1HD   LYS  17          2HD       LYS  17   3.783   6.740  -8.683
  132   2HD   LYS  17          1HD       LYS  17   3.770   8.440  -9.153
  133   1HE   LYS  17          2HE       LYS  17   4.806   7.267 -11.413
  134   2HE   LYS  17          1HE       LYS  17   3.656   6.035 -10.856
  135   1HZ   LYS  17          1HZ       LYS  17   1.901   7.471 -10.973
  136   2HZ   LYS  17          2HZ       LYS  17   2.838   8.082 -12.252
  137   3HZ   LYS  17          3HZ       LYS  17   2.857   8.852 -10.739
  138    H    VAL  18           H        VAL  18   6.149   9.204  -6.906
  139    HA   VAL  18           HA       VAL  18   7.886   9.968  -4.586
  140    HB   VAL  18           HB       VAL  18   7.246  12.343  -5.384
  141   1HG1  VAL  18          1HG1      VAL  18   9.179  12.440  -6.735
  142   2HG1  VAL  18          2HG1      VAL  18   8.920  10.815  -7.373
  143   3HG1  VAL  18          3HG1      VAL  18   9.466  11.034  -5.710
  144   1HG2  VAL  18          1HG2      VAL  18   5.478  11.244  -6.969
  145   2HG2  VAL  18          2HG2      VAL  18   6.852  10.986  -8.043
  146   3HG2  VAL  18          3HG2      VAL  18   6.407  12.623  -7.559
  147    H    CYS  19           H        CYS  19   6.742  10.987  -2.832
  148    HA   CYS  19           HA       CYS  19   3.851  11.435  -2.982
  149   1HB   CYS  19          2HB       CYS  19   4.786   8.839  -2.578
  150   2HB   CYS  19          1HB       CYS  19   4.401   9.403  -0.952
  151    H    ALA  20           H        ALA  20   6.060  10.365  -0.372
  152    HA   ALA  20           HA       ALA  20   5.136  12.333   1.506
  153   1HB   ALA  20          1HB       ALA  20   7.803  10.895   1.439
  154   2HB   ALA  20          2HB       ALA  20   6.298  10.107   1.911
  155   3HB   ALA  20          3HB       ALA  20   6.925  11.454   2.862
  156    H    SER  21           H        SER  21   5.335  14.240  -0.074
  157    HA   SER  21           HA       SER  21   7.952  15.575   0.380
  158   1HB   SER  21          2HB       SER  21   8.090  14.392  -1.786
  159   2HB   SER  21          1HB       SER  21   6.615  15.194  -2.320
  160    HG   SER  21           HG       SER  21   9.081  16.066  -2.527
  161    H    GLY  22           H        GLY  22   5.040  15.871   1.244
  162   1HA   GLY  22          2HA       GLY  22   4.070  17.981   1.953
  163   2HA   GLY  22          1HA       GLY  22   4.826  18.760   0.563
  164    H    GLU  23           H        GLU  23   3.601  15.889  -0.538
  165    HA   GLU  23           HA       GLU  23   1.128  17.250  -1.529
  166   1HB   GLU  23          2HB       GLU  23   2.715  16.566  -3.233
  167   2HB   GLU  23          1HB       GLU  23   2.823  14.947  -2.543
  168   1HG   GLU  23          2HG       GLU  23   1.314  14.627  -4.305
  169   2HG   GLU  23          1HG       GLU  23   0.234  14.891  -2.936
  170    H    LYS  24           H        LYS  24   1.879  13.784  -1.347
  171    HA   LYS  24           HA       LYS  24  -0.335  13.411   0.622
  172   1HB   LYS  24          2HB       LYS  24  -1.134  11.545  -0.932
  173   2HB   LYS  24          1HB       LYS  24  -1.388  13.187  -1.523
  174   1HG   LYS  24          2HG       LYS  24   0.852  12.959  -2.726
  175   2HG   LYS  24          1HG       LYS  24   0.774  11.239  -2.343
  176   1HD   LYS  24          2HD       LYS  24  -1.078  10.877  -3.711
  177   2HD   LYS  24          1HD       LYS  24  -1.590  12.563  -3.633
  178   1HE   LYS  24          2HE       LYS  24   1.045  12.445  -4.799
  179   2HE   LYS  24          1HE       LYS  24  -0.043  11.349  -5.676
  180   1HZ   LYS  24          1HZ       LYS  24  -0.069  13.835  -6.292
  181   2HZ   LYS  24          2HZ       LYS  24  -0.956  14.031  -4.856
  182   3HZ   LYS  24          3HZ       LYS  24  -1.552  13.036  -6.096
  183    H    TYR  25           H        TYR  25  -0.399  10.875   1.109
  184    HA   TYR  25           HA       TYR  25   2.429  10.042   1.611
  185   1HB   TYR  25          2HB       TYR  25  -0.103   9.051   2.937
  186   2HB   TYR  25          1HB       TYR  25   1.542   8.975   3.555
  187    HD1  TYR  25           HD1      TYR  25   2.326  11.826   2.664
  188    HD2  TYR  25           HD2      TYR  25  -1.059  10.265   4.799
  189    HE1  TYR  25           HE1      TYR  25   2.012  14.023   3.771
  190    HE2  TYR  25           HE2      TYR  25  -1.372  12.462   5.907
  191    HH   TYR  25           HH       TYR  25  -0.224  15.219   4.874
  192    H    CYS  26           H        CYS  26   2.803   7.647   1.532
  193    HA   CYS  26           HA       CYS  26   1.531   6.466  -0.857
  194   1HB   CYS  26          2HB       CYS  26   3.997   6.293   0.645
  195   2HB   CYS  26          1HB       CYS  26   3.330   4.678   0.407
  196    H    PHE  27           H        PHE  27  -0.493   5.591  -0.400
  197    HA   PHE  27           HA       PHE  27  -0.879   4.142   2.169
  198   1HB   PHE  27          2HB       PHE  27  -3.194   4.494   1.751
  199   2HB   PHE  27          1HB       PHE  27  -2.408   5.969   1.191
  200    HD1  PHE  27           HD1      PHE  27  -4.227   2.953   0.206
  201    HD2  PHE  27           HD2      PHE  27  -2.072   6.379  -1.233
  202    HE1  PHE  27           HE1      PHE  27  -5.160   2.585  -2.062
  203    HE2  PHE  27           HE2      PHE  27  -3.005   6.011  -3.502
  204    HZ   PHE  27           HZ       PHE  27  -4.549   4.115  -3.916
  205    H    LYS  28           H        LYS  28  -0.801   1.951   2.214
  206    HA   LYS  28           HA       LYS  28  -1.082   0.456  -0.370
  207   1HB   LYS  28          2HB       LYS  28   0.482  -1.100   0.548
  208   2HB   LYS  28          1HB       LYS  28   1.114   0.489   0.983
  209   1HG   LYS  28          2HG       LYS  28   1.122  -0.219   3.125
  210   2HG   LYS  28          1HG       LYS  28  -0.641  -0.148   3.064
  211   1HD   LYS  28          2HD       LYS  28  -0.859  -2.432   2.684
  212   2HD   LYS  28          1HD       LYS  28   0.748  -2.569   1.968
  213   1HE   LYS  28          2HE       LYS  28   1.319  -1.723   4.542
  214   2HE   LYS  28          1HE       LYS  28  -0.054  -2.822   4.782
  215   1HZ   LYS  28          1HZ       LYS  28   1.122  -4.347   3.170
  216   2HZ   LYS  28          2HZ       LYS  28   1.837  -4.199   4.705
  217   3HZ   LYS  28          3HZ       LYS  28   2.495  -3.373   3.374
  218    H    GLU  29           H        GLU  29  -2.244  -1.645  -0.171
  219    HA   GLU  29           HA       GLU  29  -3.959  -1.881   2.265
  220   1HB   GLU  29          2HB       GLU  29  -5.937  -2.046   0.811
  221   2HB   GLU  29          1HB       GLU  29  -5.104  -0.517   0.533
  222   1HG   GLU  29          2HG       GLU  29  -3.863  -2.294  -1.226
  223   2HG   GLU  29          1HG       GLU  29  -5.572  -2.721  -1.314
  224    H    SER  30           H        SER  30  -4.581  -4.015   2.723
  225    HA   SER  30           HA       SER  30  -3.510  -6.131   0.880
  226   1HB   SER  30          2HB       SER  30  -2.177  -6.598   2.656
  227   2HB   SER  30          1HB       SER  30  -3.070  -5.489   3.691
  228    HG   SER  30           HG       SER  30  -3.475  -7.446   4.547
  229    H    TRP  31           H        TRP  31  -5.288  -7.097  -0.040
  230    HA   TRP  31           HA       TRP  31  -7.872  -7.184   1.374
  231   1HB   TRP  31          2HB       TRP  31  -7.007  -7.010  -1.248
  232   2HB   TRP  31          1HB       TRP  31  -7.538  -8.687  -1.132
  233    HD1  TRP  31           HD1      TRP  31  -9.998  -8.660   0.583
  234    HE1  TRP  31           HE1      TRP  31 -12.133  -7.359  -0.044
  235    HE3  TRP  31           HE3      TRP  31  -8.026  -5.234  -2.651
  236    HZ2  TRP  31           HZ2      TRP  31 -12.903  -5.156  -1.698
  237    HZ3  TRP  31           HZ3      TRP  31  -9.482  -3.547  -3.736
  238    HH2  TRP  31           HH2      TRP  31 -11.915  -3.504  -3.265
  239    H    ARG  32           H        ARG  32  -8.339  -8.853   2.751
  240    HA   ARG  32           HA       ARG  32  -6.724 -11.320   2.713
  241   1HB   ARG  32          2HB       ARG  32  -7.701  -9.858   4.696
  242   2HB   ARG  32          1HB       ARG  32  -9.136 -10.851   4.437
  243   1HG   ARG  32          2HG       ARG  32  -6.804 -12.537   4.405
  244   2HG   ARG  32          1HG       ARG  32  -6.791 -11.553   5.869
  245   1HD   ARG  32          2HD       ARG  32  -8.502 -12.740   6.769
  246   2HD   ARG  32          1HD       ARG  32  -9.464 -12.588   5.284
  247    HE   ARG  32           HE       ARG  32  -8.770 -14.794   4.827
  248   1HH1  ARG  32          1HH2      ARG  32  -7.329 -14.906   7.540
  249   2HH1  ARG  32          2HH2      ARG  32  -5.737 -15.368   7.039
  250   1HH2  ARG  32          2HH1      ARG  32  -6.272 -14.584   3.703
  251   2HH2  ARG  32          1HH1      ARG  32  -5.139 -15.188   4.865
  252    H    GLU  33           H        GLU  33  -7.315 -12.807   1.162
  253    HA   GLU  33           HA       GLU  33 -10.213 -13.155   0.530
  254   1HB   GLU  33          2HB       GLU  33  -7.994 -12.845  -1.037
  255   2HB   GLU  33          1HB       GLU  33  -8.119 -14.604  -0.982
  256   1HG   GLU  33          2HG       GLU  33 -10.339 -14.572  -1.862
  257   2HG   GLU  33          1HG       GLU  33 -10.485 -12.832  -1.616
  258    H    ALA  34           H        ALA  34 -10.864 -15.506   0.143
  259    HA   ALA  34           HA       ALA  34 -10.228 -17.106   2.488
  260   1HB   ALA  34          1HB       ALA  34 -12.415 -17.370   1.771
  261   2HB   ALA  34          2HB       ALA  34 -11.678 -18.740   0.939
  262   3HB   ALA  34          3HB       ALA  34 -11.978 -17.237   0.067
  263    H    ARG  35           H        ARG  35  -8.852 -16.803  -0.655
  264    HA   ARG  35           HA       ARG  35  -7.383 -19.394  -0.267
  265   1HB   ARG  35          2HB       ARG  35  -9.080 -19.251  -2.149
  266   2HB   ARG  35          1HB       ARG  35  -8.062 -18.006  -2.875
  267   1HG   ARG  35          2HG       ARG  35  -6.176 -19.867  -2.451
  268   2HG   ARG  35          1HG       ARG  35  -7.573 -20.934  -2.607
  269   1HD   ARG  35          2HD       ARG  35  -8.119 -19.961  -4.790
  270   2HD   ARG  35          1HD       ARG  35  -6.777 -18.810  -4.633
  271    HE   ARG  35           HE       ARG  35  -6.457 -21.473  -5.533
  272   1HH1  ARG  35          2HH1      ARG  35  -5.548 -21.825  -2.673
  273   2HH1  ARG  35          1HH1      ARG  35  -3.855 -21.485  -2.800
  274   1HH2  ARG  35          1HH2      ARG  35  -4.123 -19.960  -5.903
  275   2HH2  ARG  35          2HH2      ARG  35  -3.048 -20.428  -4.628
  276    H    GLY  36           H        GLY  36  -6.571 -16.756   0.738
  277   1HA   GLY  36          2HA       GLY  36  -4.044 -16.360   0.714
  278   2HA   GLY  36          1HA       GLY  36  -4.223 -16.217  -1.035
  279    H    THR  37           H        THR  37  -3.165 -14.121   0.540
  280    HA   THR  37           HA       THR  37  -5.383 -12.100   0.464
  281    HB   THR  37           HB       THR  37  -4.443 -12.527   2.691
  282    HG1  THR  37           HG1      THR  37  -4.953 -10.385   2.212
  283   1HG2  THR  37          1HG2      THR  37  -2.020 -12.772   1.202
  284   2HG2  THR  37          2HG2      THR  37  -2.279 -13.082   2.919
  285   3HG2  THR  37          3HG2      THR  37  -1.808 -11.472   2.375
  286    H    ARG  38           H        ARG  38  -4.964 -10.148  -0.647
  287    HA   ARG  38           HA       ARG  38  -2.476 -10.134  -2.320
  288   1HB   ARG  38          2HB       ARG  38  -5.217 -10.029  -2.933
  289   2HB   ARG  38          1HB       ARG  38  -4.633  -8.381  -3.170
  290   1HG   ARG  38          2HG       ARG  38  -2.892 -10.538  -4.231
  291   2HG   ARG  38          1HG       ARG  38  -4.429 -10.304  -5.066
  292   1HD   ARG  38          2HD       ARG  38  -3.684  -8.394  -6.035
  293   2HD   ARG  38          1HD       ARG  38  -3.141  -7.751  -4.472
  294    HE   ARG  38           HE       ARG  38  -1.016  -8.879  -4.785
  295   1HH1  ARG  38          2HH1      ARG  38  -2.327  -7.870  -7.596
  296   2HH1  ARG  38          1HH1      ARG  38  -1.573  -9.040  -8.627
  297   1HH2  ARG  38          1HH2      ARG  38  -0.438 -11.008  -6.007
  298   2HH2  ARG  38          2HH2      ARG  38  -0.506 -10.818  -7.728
  299    H    ILE  39           H        ILE  39  -1.642  -7.911  -2.820
  300    HA   ILE  39           HA       ILE  39  -2.337  -5.873  -0.744
  301    HB   ILE  39           HB       ILE  39   0.392  -6.979  -1.473
  302   1HG1  ILE  39          2HG1      ILE  39  -0.313  -6.831   1.342
  303   2HG1  ILE  39          1HG1      ILE  39  -1.513  -7.759   0.442
  304   1HG2  ILE  39          1HG2      ILE  39   1.183  -4.931  -0.944
  305   2HG2  ILE  39          2HG2      ILE  39   0.641  -5.245   0.705
  306   3HG2  ILE  39          3HG2      ILE  39  -0.409  -4.382  -0.420
  307   1HD1  ILE  39          1HD1      ILE  39   1.119  -8.564   1.234
  308   2HD1  ILE  39          2HD1      ILE  39   1.055  -8.519  -0.529
  309   3HD1  ILE  39          3HD1      ILE  39  -0.098  -9.504   0.370
  310    H    GLU  40           H        GLU  40  -1.858  -3.697  -1.413
  311    HA   GLU  40           HA       GLU  40  -0.804  -3.285  -4.160
  312   1HB   GLU  40          2HB       GLU  40  -3.382  -3.734  -3.997
  313   2HB   GLU  40          1HB       GLU  40  -3.452  -2.090  -3.365
  314   1HG   GLU  40          2HG       GLU  40  -1.946  -1.549  -5.469
  315   2HG   GLU  40          1HG       GLU  40  -2.656  -3.037  -6.096
  316    H    ARG  41           H        ARG  41  -0.281  -0.998  -4.540
  317    HA   ARG  41           HA       ARG  41  -0.278   0.695  -2.065
  318   1HB   ARG  41          2HB       ARG  41   1.982   0.073  -3.993
  319   2HB   ARG  41          1HB       ARG  41   2.069   1.325  -2.754
  320   1HG   ARG  41          2HG       ARG  41   1.350  -0.597  -1.128
  321   2HG   ARG  41          1HG       ARG  41   1.924  -1.658  -2.414
  322   1HD   ARG  41          2HD       ARG  41   3.856  -1.341  -1.083
  323   2HD   ARG  41          1HD       ARG  41   4.063  -0.128  -2.362
  324    HE   ARG  41           HE       ARG  41   3.257   1.578  -0.810
  325   1HH1  ARG  41          2HH1      ARG  41   2.748  -1.495   0.540
  326   2HH1  ARG  41          1HH1      ARG  41   3.141  -1.022   2.159
  327   1HH2  ARG  41          1HH2      ARG  41   4.162   2.169   1.262
  328   2HH2  ARG  41          2HH2      ARG  41   3.943   1.052   2.568
  329    H    GLY  42           H        GLY  42   0.706   2.998  -2.919
  330   1HA   GLY  42          2HA       GLY  42   0.303   3.934  -5.518
  331   2HA   GLY  42          1HA       GLY  42  -1.284   4.019  -4.752
  332    H    CYS  43           H        CYS  43  -1.209   6.352  -4.859
  333    HA   CYS  43           HA       CYS  43   0.465   7.545  -2.684
  334   1HB   CYS  43          2HB       CYS  43   0.522   7.990  -5.578
  335   2HB   CYS  43          1HB       CYS  43   0.291   9.485  -4.671
  336    H    ALA  44           H        ALA  44  -1.159   8.125  -1.256
  337    HA   ALA  44           HA       ALA  44  -3.118  10.142  -2.126
  338   1HB   ALA  44          1HB       ALA  44  -3.893   7.669  -2.609
  339   2HB   ALA  44          2HB       ALA  44  -5.032   8.810  -1.893
  340   3HB   ALA  44          3HB       ALA  44  -4.204   7.633  -0.874
  341    H    ALA  45           H        ALA  45  -4.822  10.051   0.060
  342    HA   ALA  45           HA       ALA  45  -3.217   9.840   2.533
  343   1HB   ALA  45          1HB       ALA  45  -3.573  12.270   0.982
  344   2HB   ALA  45          2HB       ALA  45  -2.553  11.997   2.394
  345   3HB   ALA  45          3HB       ALA  45  -4.242  12.457   2.603
  346    H    THR  46           H        THR  46  -5.921   9.029   1.168
  347    HA   THR  46           HA       THR  46  -7.906  10.157   3.036
  348    HB   THR  46           HB       THR  46  -8.274   7.890   1.075
  349    HG1  THR  46           HG1      THR  46  -7.801  10.614   0.622
  350   1HG2  THR  46          1HG2      THR  46 -10.168  10.164   1.491
  351   2HG2  THR  46          2HG2      THR  46 -10.045   8.943   2.758
  352   3HG2  THR  46          3HG2      THR  46 -10.509   8.472   1.121
  353    H    CYS  47           H        CYS  47  -5.894   7.328   2.755
  354    HA   CYS  47           HA       CYS  47  -5.913   5.261   3.916
  355   1HB   CYS  47          2HB       CYS  47  -6.382   7.221   6.171
  356   2HB   CYS  47          1HB       CYS  47  -5.402   5.761   6.186
  357    HA   PRO  48           HA       PRO  48 -10.456   4.882   4.412
  358   1HB   PRO  48          2HB       PRO  48 -10.628   2.474   3.125
  359   2HB   PRO  48          1HB       PRO  48 -10.649   4.030   2.270
  360   1HG   PRO  48          2HG       PRO  48  -8.419   2.093   2.620
  361   2HG   PRO  48          1HG       PRO  48  -8.844   3.085   1.218
  362   1HD   PRO  48          2HD       PRO  48  -6.821   3.692   2.956
  363   2HD   PRO  48          1HD       PRO  48  -7.698   4.903   1.994
  364    H    LYS  49           H        LYS  49 -11.408   2.282   4.870
  365    HA   LYS  49           HA       LYS  49  -9.685   1.199   7.063
  366   1HB   LYS  49          2HB       LYS  49 -11.644   1.227   8.543
  367   2HB   LYS  49          1HB       LYS  49 -11.339   2.852   7.932
  368   1HG   LYS  49          2HG       LYS  49 -12.987   1.896   5.988
  369   2HG   LYS  49          1HG       LYS  49 -13.610   1.032   7.394
  370   1HD   LYS  49          2HD       LYS  49 -13.058   3.980   7.591
  371   2HD   LYS  49          1HD       LYS  49 -14.549   3.420   6.833
  372   1HE   LYS  49          2HE       LYS  49 -15.234   2.266   8.836
  373   2HE   LYS  49          1HE       LYS  49 -13.648   2.520   9.590
  374   1HZ   LYS  49          1HZ       LYS  49 -14.069   4.690   9.978
  375   2HZ   LYS  49          2HZ       LYS  49 -15.691   4.186   9.936
  376   3HZ   LYS  49          3HZ       LYS  49 -14.982   4.891   8.562
  377    H    GLY  50           H        GLY  50 -11.371  -0.759   7.991
  378   1HA   GLY  50          2HA       GLY  50 -12.652  -2.220   5.818
  379   2HA   GLY  50          1HA       GLY  50 -11.100  -2.916   6.286
  380    H    SER  51           H        SER  51 -12.235  -4.824   7.060
  381    HA   SER  51           HA       SER  51 -12.705  -4.916   9.846
  382   1HB   SER  51          2HB       SER  51 -14.633  -3.653   9.796
  383   2HB   SER  51          1HB       SER  51 -14.981  -4.069   8.120
  384    HG   SER  51           HG       SER  51 -16.403  -5.321   9.077
  385    H    VAL  52           H        VAL  52 -15.141  -6.329   7.749
  386    HA   VAL  52           HA       VAL  52 -14.116  -9.030   8.383
  387    HB   VAL  52           HB       VAL  52 -16.578  -7.948   6.976
  388   1HG1  VAL  52          1HG1      VAL  52 -15.824 -10.260   6.228
  389   2HG1  VAL  52          2HG1      VAL  52 -17.435 -10.190   6.942
  390   3HG1  VAL  52          3HG1      VAL  52 -16.074 -10.790   7.891
  391   1HG2  VAL  52          1HG2      VAL  52 -15.832  -8.556   9.761
  392   2HG2  VAL  52          2HG2      VAL  52 -17.355  -9.289   9.255
  393   3HG2  VAL  52          3HG2      VAL  52 -17.138  -7.542   9.143
  394    H    TYR  53           H        TYR  53 -14.554  -6.905   5.573
  395    HA   TYR  53           HA       TYR  53 -14.028  -8.780   3.498
  396   1HB   TYR  53          2HB       TYR  53 -13.211  -5.860   3.644
  397   2HB   TYR  53          1HB       TYR  53 -13.587  -6.785   2.190
  398    HD1  TYR  53           HD1      TYR  53 -15.984  -8.075   2.398
  399    HD2  TYR  53           HD2      TYR  53 -14.886  -4.435   4.397
  400    HE1  TYR  53           HE1      TYR  53 -18.380  -7.482   2.635
  401    HE2  TYR  53           HE2      TYR  53 -17.281  -3.841   4.635
  402    HH   TYR  53           HH       TYR  53 -19.678  -5.797   4.515
  403    H    GLY  54           H        GLY  54 -11.910  -7.325   5.854
  404   1HA   GLY  54          2HA       GLY  54  -9.667  -7.916   6.333
  405   2HA   GLY  54          1HA       GLY  54  -9.680  -8.973   4.920
  406    H    LEU  55           H        LEU  55 -10.225  -5.458   5.320
  407    HA   LEU  55           HA       LEU  55  -8.353  -5.006   3.039
  408   1HB   LEU  55          2HB       LEU  55 -10.782  -3.758   4.174
  409   2HB   LEU  55          1HB       LEU  55  -9.565  -2.615   3.604
  410    HG   LEU  55           HG       LEU  55 -11.163  -3.233   1.808
  411   1HD1  LEU  55          1HD1      LEU  55  -8.493  -4.491   1.186
  412   2HD1  LEU  55          2HD1      LEU  55  -8.645  -2.754   1.451
  413   3HD1  LEU  55          3HD1      LEU  55  -9.522  -3.526   0.130
  414   1HD2  LEU  55          1HD2      LEU  55 -11.128  -5.717   2.904
  415   2HD2  LEU  55          2HD2      LEU  55  -9.994  -5.953   1.575
  416   3HD2  LEU  55          3HD2      LEU  55 -11.638  -5.403   1.245
  417    H    TYR  56           H        TYR  56  -6.429  -5.311   4.460
  418    HA   TYR  56           HA       TYR  56  -6.011  -3.478   6.708
  419   1HB   TYR  56          2HB       TYR  56  -5.050  -5.718   6.685
  420   2HB   TYR  56          1HB       TYR  56  -4.231  -5.388   5.158
  421    HD1  TYR  56           HD1      TYR  56  -1.950  -5.650   5.867
  422    HD2  TYR  56           HD2      TYR  56  -4.592  -2.996   7.971
  423    HE1  TYR  56           HE1      TYR  56  -0.019  -4.708   7.105
  424    HE2  TYR  56           HE2      TYR  56  -2.661  -2.056   9.210
  425    HH   TYR  56           HH       TYR  56   0.554  -2.605   8.294
  426    H    VAL  57           H        VAL  57  -6.109  -1.342   5.832
  427    HA   VAL  57           HA       VAL  57  -4.096  -0.697   3.714
  428    HB   VAL  57           HB       VAL  57  -6.512   0.853   4.697
  429   1HG1  VAL  57          1HG1      VAL  57  -5.171   2.424   3.615
  430   2HG1  VAL  57          2HG1      VAL  57  -6.128   1.808   2.267
  431   3HG1  VAL  57          3HG1      VAL  57  -4.481   1.228   2.518
  432   1HG2  VAL  57          1HG2      VAL  57  -6.289  -1.479   2.992
  433   2HG2  VAL  57          2HG2      VAL  57  -6.905  -0.107   2.072
  434   3HG2  VAL  57          3HG2      VAL  57  -7.742  -0.636   3.531
  435    H    LEU  58           H        LEU  58  -2.710   1.129   4.047
  436    HA   LEU  58           HA       LEU  58  -2.778   2.597   6.595
  437   1HB   LEU  58          2HB       LEU  58  -1.546   0.138   6.545
  438   2HB   LEU  58          1HB       LEU  58  -0.201   1.219   6.183
  439    HG   LEU  58           HG       LEU  58  -0.994   2.628   8.172
  440   1HD1  LEU  58          1HD1      LEU  58  -2.831   0.295   8.288
  441   2HD1  LEU  58          2HD1      LEU  58  -3.081   1.952   8.835
  442   3HD1  LEU  58          3HD1      LEU  58  -2.151   0.828   9.825
  443   1HD2  LEU  58          1HD2      LEU  58   0.531   1.528   9.487
  444   2HD2  LEU  58          2HD2      LEU  58   0.835   0.641   7.993
  445   3HD2  LEU  58          3HD2      LEU  58  -0.224  -0.044   9.227
  446    H    CYS  59           H        CYS  59  -1.696   4.568   6.358
  447    HA   CYS  59           HA       CYS  59  -0.388   5.041   3.712
  448   1HB   CYS  59          2HB       CYS  59  -1.476   6.981   5.776
  449   2HB   CYS  59          1HB       CYS  59  -1.002   7.366   4.122
  450    H    CYS  60           H        CYS  60   1.735   5.734   3.618
  451    HA   CYS  60           HA       CYS  60   3.155   6.212   6.222
  452   1HB   CYS  60          2HB       CYS  60   3.475   3.998   4.828
  453   2HB   CYS  60          1HB       CYS  60   4.440   5.028   3.781
  454    H    THR  61           H        THR  61   5.167   7.556   5.902
  455    HA   THR  61           HA       THR  61   5.407   9.099   3.432
  456    HB   THR  61           HB       THR  61   3.486  10.144   4.562
  457    HG1  THR  61           HG1      THR  61   5.160  11.431   3.514
  458   1HG2  THR  61          1HG2      THR  61   3.454  10.025   6.812
  459   2HG2  THR  61          2HG2      THR  61   4.599  11.366   6.811
  460   3HG2  THR  61          3HG2      THR  61   5.187   9.706   6.882
  461    H    THR  62           H        THR  62   7.421   7.592   4.397
  462    HA   THR  62           HA       THR  62   9.438   9.564   5.173
  463    HB   THR  62           HB       THR  62   8.472   7.428   7.095
  464    HG1  THR  62           HG1      THR  62   7.663   9.065   8.166
  465   1HG2  THR  62          1HG2      THR  62  10.550   9.311   7.982
  466   2HG2  THR  62          2HG2      THR  62  11.092   8.181   6.742
  467   3HG2  THR  62          3HG2      THR  62  10.415   7.574   8.254
  468    H    ASP  63           H        ASP  63  10.502   8.723   3.271
  469    HA   ASP  63           HA       ASP  63  12.022   7.304   2.152
  470   1HB   ASP  63          2HB       ASP  63  12.601   7.387   4.849
  471   2HB   ASP  63          1HB       ASP  63  12.515   5.653   4.534
  472    H    ASP  64           H        ASP  64  11.934   5.363   1.014
  473    HA   ASP  64           HA       ASP  64  11.015   3.326   0.238
  474   1HB   ASP  64          2HB       ASP  64  11.084   3.230   3.209
  475   2HB   ASP  64          1HB       ASP  64  10.144   1.973   2.402
  476    H    CYS  65           H        CYS  65   8.781   3.881   3.016
  477    HA   CYS  65           HA       CYS  65   6.494   3.467   1.209
  478   1HB   CYS  65          2HB       CYS  65   5.286   3.486   3.377
  479   2HB   CYS  65          1HB       CYS  65   6.682   2.414   3.436
  480    H    ASN  66           HN       ASN  66   8.319   6.012   1.328
  481    HA   ASN  66           HA       ASN  66   7.156   8.288   2.342
  482   1HB   ASN  66          2HB       ASN  66   8.658   7.527  -0.080
  483   2HB   ASN  66          1HB       ASN  66   7.774   9.047  -0.231
  484   1HD2  ASN  66          1HD2      ASN  66  10.666   8.924  -0.102
  485   2HD2  ASN  66          2HD2      ASN  66  11.152   9.687   1.335
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1  12.881  11.462  -3.320
    2   2H    MET   1          2H        MET   1  14.207  10.981  -2.372
    3   3H    MET   1          3H        MET   1  13.179  12.221  -1.832
    4    HA   MET   1           HA       MET   1  12.975   9.523  -1.239
    5   1HB   MET   1          2HB       MET   1  11.612  12.119  -0.799
    6   2HB   MET   1          1HB       MET   1  10.631  10.693  -0.459
    7   1HG   MET   1          2HG       MET   1  12.065   9.943   1.225
    8   2HG   MET   1          1HG       MET   1  13.444  10.837   0.585
    9   1HE   MET   1          1HE       MET   1  11.319  10.883   3.730
   10   2HE   MET   1          2HE       MET   1  10.279  10.643   2.330
   11   3HE   MET   1          3HE       MET   1  10.091  12.088   3.320
   12    H    LYS   2           H        LYS   2  11.833   7.854  -2.152
   13    HA   LYS   2           HA       LYS   2   9.639   8.525  -4.084
   14   1HB   LYS   2          2HB       LYS   2  12.002   6.653  -4.343
   15   2HB   LYS   2          1HB       LYS   2  10.582   6.511  -5.379
   16   1HG   LYS   2          2HG       LYS   2  11.070   8.418  -6.540
   17   2HG   LYS   2          1HG       LYS   2  11.714   9.240  -5.118
   18   1HD   LYS   2          2HD       LYS   2  13.328   6.932  -5.942
   19   2HD   LYS   2          1HD       LYS   2  13.235   8.190  -7.176
   20   1HE   LYS   2          2HE       LYS   2  13.659   9.746  -5.000
   21   2HE   LYS   2          1HE       LYS   2  14.515   8.278  -4.492
   22   1HZ   LYS   2          1HZ       LYS   2  16.136   8.795  -5.900
   23   2HZ   LYS   2          2HZ       LYS   2  15.288  10.163  -6.444
   24   3HZ   LYS   2          3HZ       LYS   2  15.053   8.659  -7.199
   25    H    CYS   3           H        CYS   3   8.410   6.329  -4.578
   26    HA   CYS   3           HA       CYS   3   8.179   4.743  -2.042
   27   1HB   CYS   3          2HB       CYS   3   6.457   6.584  -2.409
   28   2HB   CYS   3          1HB       CYS   3   5.897   5.672  -3.809
   29    H    LYS   4           H        LYS   4   8.724   2.672  -2.601
   30    HA   LYS   4           HA       LYS   4   8.450   1.689  -5.349
   31   1HB   LYS   4          2HB       LYS   4   9.603  -0.234  -4.455
   32   2HB   LYS   4          1HB       LYS   4  10.309   1.190  -3.689
   33   1HG   LYS   4          2HG       LYS   4   9.938  -0.105  -1.813
   34   2HG   LYS   4          1HG       LYS   4   8.390   0.736  -1.899
   35   1HD   LYS   4          2HD       LYS   4   7.338  -1.238  -2.120
   36   2HD   LYS   4          1HD       LYS   4   8.228  -1.534  -3.614
   37   1HE   LYS   4          2HE       LYS   4   9.252  -2.171  -0.821
   38   2HE   LYS   4          1HE       LYS   4   8.640  -3.358  -1.992
   39   1HZ   LYS   4          1HZ       LYS   4  11.109  -1.797  -2.051
   40   2HZ   LYS   4          2HZ       LYS   4  10.326  -2.056  -3.536
   41   3HZ   LYS   4          3HZ       LYS   4  10.819  -3.378  -2.590
   42    H    ILE   5           H        ILE   5   6.718   0.522  -6.120
   43    HA   ILE   5           HA       ILE   5   4.686  -0.430  -4.125
   44    HB   ILE   5           HB       ILE   5   4.226   0.354  -7.012
   45   1HG1  ILE   5          2HG1      ILE   5   5.225   2.279  -5.881
   46   2HG1  ILE   5          1HG1      ILE   5   3.498   2.565  -6.102
   47   1HG2  ILE   5          1HG2      ILE   5   2.534  -0.228  -4.603
   48   2HG2  ILE   5          2HG2      ILE   5   2.316  -0.753  -6.273
   49   3HG2  ILE   5          3HG2      ILE   5   1.935   0.907  -5.813
   50   1HD1  ILE   5          1HD1      ILE   5   3.019   2.093  -3.822
   51   2HD1  ILE   5          2HD1      ILE   5   4.467   3.099  -3.781
   52   3HD1  ILE   5          3HD1      ILE   5   4.599   1.354  -3.563
   53    H    CYS   6           H        CYS   6   3.897  -2.539  -4.402
   54    HA   CYS   6           HA       CYS   6   4.116  -4.152  -6.735
   55   1HB   CYS   6          2HB       CYS   6   6.583  -3.578  -5.581
   56   2HB   CYS   6          1HB       CYS   6   6.206  -5.183  -4.960
   57    H    ASN   7           H        ASN   7   3.161  -6.195  -6.354
   58    HA   ASN   7           HA       ASN   7   1.472  -6.587  -4.148
   59   1HB   ASN   7          2HB       ASN   7   2.874  -8.543  -5.994
   60   2HB   ASN   7          1HB       ASN   7   1.540  -8.991  -4.931
   61   1HD2  ASN   7          1HD2      ASN   7  -0.583  -7.895  -5.332
   62   2HD2  ASN   7          2HD2      ASN   7  -0.931  -7.286  -6.878
   63    H    PHE   8           H        PHE   8   2.109  -6.706  -2.026
   64    HA   PHE   8           HA       PHE   8   4.722  -7.315  -1.087
   65   1HB   PHE   8          2HB       PHE   8   2.095  -6.710  -0.090
   66   2HB   PHE   8          1HB       PHE   8   2.772  -8.034   0.859
   67    HD1  PHE   8           HD1      PHE   8   4.875  -7.751   2.106
   68    HD2  PHE   8           HD2      PHE   8   3.115  -4.505  -0.088
   69    HE1  PHE   8           HE1      PHE   8   6.342  -6.149   3.301
   70    HE2  PHE   8           HE2      PHE   8   4.583  -2.902   1.107
   71    HZ   PHE   8           HZ       PHE   8   6.196  -3.723   2.802
   72    H    ASP   9           H        ASP   9   5.466  -9.253   0.039
   73    HA   ASP   9           HA       ASP   9   5.643 -11.588   0.409
   74   1HB   ASP   9          2HB       ASP   9   2.918 -10.977   0.379
   75   2HB   ASP   9          1HB       ASP   9   3.069 -12.312  -0.764
   76    H    THR  10           H        THR  10   5.371 -10.060  -2.528
   77    HA   THR  10           HA       THR  10   6.795 -12.074  -3.986
   78    HB   THR  10           HB       THR  10   4.660 -13.268  -3.796
   79    HG1  THR  10           HG1      THR  10   4.363 -13.618  -5.968
   80   1HG2  THR  10          1HG2      THR  10   2.896 -11.846  -3.520
   81   2HG2  THR  10          2HG2      THR  10   2.794 -11.967  -5.276
   82   3HG2  THR  10          3HG2      THR  10   3.617 -10.596  -4.534
   83    H    CYS  11           H        CYS  11   7.208  -9.346  -3.774
   84    HA   CYS  11           HA       CYS  11   7.344  -8.485  -6.504
   85   1HB   CYS  11          2HB       CYS  11   4.804  -8.403  -5.640
   86   2HB   CYS  11          1HB       CYS  11   5.335  -6.837  -5.030
   87    H    ARG  12           H        ARG  12   9.276  -7.424  -6.248
   88    HA   ARG  12           HA       ARG  12   9.825  -5.858  -3.802
   89   1HB   ARG  12          2HB       ARG  12  11.493  -6.284  -6.300
   90   2HB   ARG  12          1HB       ARG  12  12.073  -5.811  -4.702
   91   1HG   ARG  12          2HG       ARG  12  10.735  -8.113  -4.102
   92   2HG   ARG  12          1HG       ARG  12  11.328  -8.485  -5.720
   93   1HD   ARG  12          2HD       ARG  12  12.956  -7.696  -3.287
   94   2HD   ARG  12          1HD       ARG  12  13.091  -9.173  -4.263
   95    HE   ARG  12           HE       ARG  12  13.755  -6.448  -5.320
   96   1HH1  ARG  12          1HH2      ARG  12  13.429  -9.647  -6.231
   97   2HH1  ARG  12          2HH2      ARG  12  15.012  -9.804  -6.916
   98   1HH2  ARG  12          2HH1      ARG  12  16.115  -6.733  -5.744
   99   2HH2  ARG  12          1HH1      ARG  12  16.533  -8.155  -6.640
  100    H    ALA  13           H        ALA  13  11.563  -3.973  -5.293
  101    HA   ALA  13           HA       ALA  13   9.696  -1.822  -5.678
  102   1HB   ALA  13          1HB       ALA  13  11.652  -0.698  -5.535
  103   2HB   ALA  13          2HB       ALA  13  12.240  -1.454  -7.015
  104   3HB   ALA  13          3HB       ALA  13  12.479  -2.254  -5.462
  105    H    GLY  14           H        GLY  14   8.383  -3.380  -7.269
  106   1HA   GLY  14          2HA       GLY  14   9.421  -3.517  -9.997
  107   2HA   GLY  14          1HA       GLY  14   7.796  -3.973  -9.484
  108    H    GLU  15           H        GLU  15   7.060  -1.518  -8.240
  109    HA   GLU  15           HA       GLU  15   7.135   0.399 -10.547
  110   1HB   GLU  15          2HB       GLU  15   4.898  -0.938  -9.114
  111   2HB   GLU  15          1HB       GLU  15   4.658   0.762  -9.513
  112   1HG   GLU  15          2HG       GLU  15   4.679   0.379 -11.784
  113   2HG   GLU  15          1HG       GLU  15   5.767  -1.003 -11.647
  114    H    LEU  16           H        LEU  16   8.760   1.592  -9.277
  115    HA   LEU  16           HA       LEU  16   7.780   2.764  -6.716
  116   1HB   LEU  16          2HB       LEU  16   9.958   1.762  -6.619
  117   2HB   LEU  16          1HB       LEU  16  10.461   2.563  -8.107
  118    HG   LEU  16           HG       LEU  16   9.535   4.335  -5.908
  119   1HD1  LEU  16          1HD1      LEU  16  12.199   4.069  -5.294
  120   2HD1  LEU  16          2HD1      LEU  16  11.740   2.397  -5.620
  121   3HD1  LEU  16          3HD1      LEU  16  10.886   3.322  -4.385
  122   1HD2  LEU  16          1HD2      LEU  16  11.842   5.368  -6.803
  123   2HD2  LEU  16          2HD2      LEU  16  10.331   5.574  -7.687
  124   3HD2  LEU  16          3HD2      LEU  16  11.476   4.328  -8.179
  125    H    LYS  17           H        LYS  17   7.392   4.968  -6.531
  126    HA   LYS  17           HA       LYS  17   8.068   6.736  -8.840
  127   1HB   LYS  17          2HB       LYS  17   5.663   5.634  -8.729
  128   2HB   LYS  17          1HB       LYS  17   5.375   6.882  -7.516
  129   1HG   LYS  17          2HG       LYS  17   4.928   8.273  -9.238
  130   2HG   LYS  17          1HG       LYS  17   6.659   8.250  -9.573
  131   1HD   LYS  17          2HD       LYS  17   6.128   6.047 -10.873
  132   2HD   LYS  17          1HD       LYS  17   4.468   6.643 -10.864
  133   1HE   LYS  17          2HE       LYS  17   4.942   8.378 -12.306
  134   2HE   LYS  17          1HE       LYS  17   6.589   8.584 -11.676
  135   1HZ   LYS  17          1HZ       LYS  17   7.057   7.508 -13.617
  136   2HZ   LYS  17          2HZ       LYS  17   5.581   6.667 -13.650
  137   3HZ   LYS  17          3HZ       LYS  17   6.829   6.158 -12.616
  138    H    VAL  18           H        VAL  18   6.214   8.733  -7.422
  139    HA   VAL  18           HA       VAL  18   7.958   9.324  -5.062
  140    HB   VAL  18           HB       VAL  18   7.635  11.752  -5.890
  141   1HG1  VAL  18          1HG1      VAL  18   9.667  11.615  -6.991
  142   2HG1  VAL  18          2HG1      VAL  18   9.199  10.173  -7.891
  143   3HG1  VAL  18          3HG1      VAL  18   9.653  10.042  -6.192
  144   1HG2  VAL  18          1HG2      VAL  18   6.881  12.127  -8.064
  145   2HG2  VAL  18          2HG2      VAL  18   5.831  10.801  -7.567
  146   3HG2  VAL  18          3HG2      VAL  18   7.239  10.479  -8.580
  147    H    CYS  19           H        CYS  19   6.858  10.215  -3.288
  148    HA   CYS  19           HA       CYS  19   4.198  11.346  -3.442
  149   1HB   CYS  19          2HB       CYS  19   3.733   8.966  -3.960
  150   2HB   CYS  19          1HB       CYS  19   4.509   8.492  -2.450
  151    H    ALA  20           H        ALA  20   6.533  12.225  -2.175
  152    HA   ALA  20           HA       ALA  20   5.781  11.956   0.714
  153   1HB   ALA  20          1HB       ALA  20   8.047  10.917  -0.571
  154   2HB   ALA  20          2HB       ALA  20   7.830  11.106   1.169
  155   3HB   ALA  20          3HB       ALA  20   8.623  12.375   0.236
  156    H    SER  21           H        SER  21   5.580  14.053  -1.635
  157    HA   SER  21           HA       SER  21   7.189  16.304  -1.144
  158   1HB   SER  21          2HB       SER  21   4.230  16.520  -1.649
  159   2HB   SER  21          1HB       SER  21   5.543  17.441  -2.377
  160    HG   SER  21           HG       SER  21   6.166  15.175  -3.154
  161    H    GLY  22           H        GLY  22   3.859  15.979   0.140
  162   1HA   GLY  22          2HA       GLY  22   4.731  16.787   2.821
  163   2HA   GLY  22          1HA       GLY  22   3.779  18.005   1.970
  164    H    GLU  23           H        GLU  23   1.655  17.156   1.035
  165    HA   GLU  23           HA       GLU  23   0.288  15.564   3.129
  166   1HB   GLU  23          2HB       GLU  23  -0.398  17.493   0.959
  167   2HB   GLU  23          1HB       GLU  23  -1.641  16.323   1.405
  168   1HG   GLU  23          2HG       GLU  23  -2.123  17.973   2.944
  169   2HG   GLU  23          1HG       GLU  23  -0.927  17.065   3.870
  170    H    LYS  24           H        LYS  24   2.021  13.955   1.628
  171    HA   LYS  24           HA       LYS  24   0.091  12.359  -0.026
  172   1HB   LYS  24          2HB       LYS  24   2.725  13.553  -0.632
  173   2HB   LYS  24          1HB       LYS  24   2.552  11.871  -1.134
  174   1HG   LYS  24          2HG       LYS  24   1.302  12.508  -2.889
  175   2HG   LYS  24          1HG       LYS  24   0.137  13.259  -1.796
  176   1HD   LYS  24          2HD       LYS  24   0.769  15.198  -2.797
  177   2HD   LYS  24          1HD       LYS  24   2.181  15.083  -1.746
  178   1HE   LYS  24          2HE       LYS  24   3.549  14.227  -3.465
  179   2HE   LYS  24          1HE       LYS  24   2.156  13.703  -4.433
  180   1HZ   LYS  24          1HZ       LYS  24   2.262  16.525  -3.733
  181   2HZ   LYS  24          2HZ       LYS  24   1.756  15.783  -5.175
  182   3HZ   LYS  24          3HZ       LYS  24   3.413  16.001  -4.864
  183    H    TYR  25           H        TYR  25  -0.172  10.401   0.974
  184    HA   TYR  25           HA       TYR  25   2.190   9.194   2.379
  185   1HB   TYR  25          2HB       TYR  25  -0.784   9.137   2.995
  186   2HB   TYR  25          1HB       TYR  25   0.429   8.218   3.878
  187    HD1  TYR  25           HD1      TYR  25   1.421   9.176   5.765
  188    HD2  TYR  25           HD2      TYR  25  -0.282  11.718   2.750
  189    HE1  TYR  25           HE1      TYR  25   1.894  11.164   7.172
  190    HE2  TYR  25           HE2      TYR  25   0.192  13.705   4.157
  191    HH   TYR  25           HH       TYR  25   0.956  14.436   6.105
  192    H    CYS  26           H        CYS  26   2.739   7.163   1.628
  193    HA   CYS  26           HA       CYS  26   1.232   5.952  -0.567
  194   1HB   CYS  26          2HB       CYS  26   3.797   5.653   0.855
  195   2HB   CYS  26          1HB       CYS  26   3.113   4.122   0.308
  196    H    PHE  27           H        PHE  27  -0.642   4.847  -0.098
  197    HA   PHE  27           HA       PHE  27  -0.913   3.519   2.552
  198   1HB   PHE  27          2HB       PHE  27  -3.290   3.539   1.986
  199   2HB   PHE  27          1HB       PHE  27  -2.606   5.135   1.675
  200    HD1  PHE  27           HD1      PHE  27  -3.805   2.002   0.118
  201    HD2  PHE  27           HD2      PHE  27  -2.361   5.987  -0.578
  202    HE1  PHE  27           HE1      PHE  27  -4.510   1.844  -2.254
  203    HE2  PHE  27           HE2      PHE  27  -3.067   5.828  -2.950
  204    HZ   PHE  27           HZ       PHE  27  -4.141   3.757  -3.789
  205    H    LYS  28           H        LYS  28  -0.898   1.326   2.749
  206    HA   LYS  28           HA       LYS  28  -0.716  -0.318   0.259
  207   1HB   LYS  28          2HB       LYS  28   1.154  -0.546   1.763
  208   2HB   LYS  28          1HB       LYS  28   0.085  -0.714   3.157
  209   1HG   LYS  28          2HG       LYS  28  -0.636  -2.872   2.486
  210   2HG   LYS  28          1HG       LYS  28  -0.003  -2.663   0.853
  211   1HD   LYS  28          2HD       LYS  28   1.752  -3.878   1.670
  212   2HD   LYS  28          1HD       LYS  28   2.271  -2.311   2.291
  213   1HE   LYS  28          2HE       LYS  28   2.357  -3.768   4.183
  214   2HE   LYS  28          1HE       LYS  28   0.828  -2.888   4.377
  215   1HZ   LYS  28          1HZ       LYS  28   0.332  -5.187   4.591
  216   2HZ   LYS  28          2HZ       LYS  28   1.219  -5.584   3.198
  217   3HZ   LYS  28          3HZ       LYS  28  -0.231  -4.710   3.064
  218    H    GLU  29           H        GLU  29  -2.606  -1.345  -0.295
  219    HA   GLU  29           HA       GLU  29  -4.652  -1.814   1.825
  220   1HB   GLU  29          2HB       GLU  29  -4.577  -1.253  -1.083
  221   2HB   GLU  29          1HB       GLU  29  -5.835  -2.378  -0.568
  222   1HG   GLU  29          2HG       GLU  29  -6.482  -0.702   1.211
  223   2HG   GLU  29          1HG       GLU  29  -5.368   0.436   0.452
  224    H    SER  30           H        SER  30  -3.929  -3.794   2.746
  225    HA   SER  30           HA       SER  30  -3.221  -6.069   1.025
  226   1HB   SER  30          2HB       SER  30  -2.275  -6.781   2.963
  227   2HB   SER  30          1HB       SER  30  -2.707  -5.208   3.624
  228    HG   SER  30           HG       SER  30  -3.510  -7.009   4.848
  229    H    TRP  31           H        TRP  31  -5.021  -6.792  -0.125
  230    HA   TRP  31           HA       TRP  31  -7.672  -6.963   1.120
  231   1HB   TRP  31          2HB       TRP  31  -6.467  -6.960  -1.482
  232   2HB   TRP  31          1HB       TRP  31  -7.470  -8.404  -1.338
  233    HD1  TRP  31           HD1      TRP  31 -10.033  -7.896  -0.310
  234    HE1  TRP  31           HE1      TRP  31 -11.611  -5.948  -0.908
  235    HE3  TRP  31           HE3      TRP  31  -6.661  -4.599  -2.269
  236    HZ2  TRP  31           HZ2      TRP  31 -11.463  -3.337  -2.064
  237    HZ3  TRP  31           HZ3      TRP  31  -7.407  -2.390  -3.111
  238    HH2  TRP  31           HH2      TRP  31  -9.802  -1.755  -3.011
  239    H    ARG  32           H        ARG  32  -8.199  -8.651   2.437
  240    HA   ARG  32           HA       ARG  32  -6.697 -11.214   2.201
  241   1HB   ARG  32          2HB       ARG  32  -7.137  -9.738   4.337
  242   2HB   ARG  32          1HB       ARG  32  -8.719 -10.519   4.318
  243   1HG   ARG  32          2HG       ARG  32  -7.833 -12.637   4.708
  244   2HG   ARG  32          1HG       ARG  32  -6.255 -12.210   4.044
  245   1HD   ARG  32          2HD       ARG  32  -7.124 -10.691   6.460
  246   2HD   ARG  32          1HD       ARG  32  -6.667 -12.389   6.701
  247    HE   ARG  32           HE       ARG  32  -4.704 -11.319   5.009
  248   1HH1  ARG  32          1HH2      ARG  32  -5.543 -11.619   8.274
  249   2HH1  ARG  32          2HH2      ARG  32  -4.260 -10.616   8.865
  250   1HH2  ARG  32          2HH1      ARG  32  -3.222  -9.626   5.709
  251   2HH2  ARG  32          1HH1      ARG  32  -2.948  -9.488   7.412
  252    H    GLU  33           H        GLU  33  -7.801 -13.181   1.830
  253    HA   GLU  33           HA       GLU  33 -10.751 -13.095   1.434
  254   1HB   GLU  33          2HB       GLU  33  -9.185 -12.589  -0.659
  255   2HB   GLU  33          1HB       GLU  33  -9.036 -14.347  -0.680
  256   1HG   GLU  33          2HG       GLU  33 -11.411 -14.630  -0.891
  257   2HG   GLU  33          1HG       GLU  33 -11.703 -12.920  -0.574
  258    H    ALA  34           H        ALA  34 -11.529 -15.429   0.934
  259    HA   ALA  34           HA       ALA  34 -10.263 -17.245   2.878
  260   1HB   ALA  34          1HB       ALA  34 -12.592 -17.261   2.998
  261   2HB   ALA  34          2HB       ALA  34 -12.311 -18.643   1.940
  262   3HB   ALA  34          3HB       ALA  34 -12.781 -17.089   1.253
  263    H    ARG  35           H        ARG  35  -9.944 -16.621  -0.447
  264    HA   ARG  35           HA       ARG  35  -9.016 -19.419  -0.992
  265   1HB   ARG  35          2HB       ARG  35 -10.900 -18.307  -2.324
  266   2HB   ARG  35          1HB       ARG  35  -9.668 -17.225  -2.975
  267   1HG   ARG  35          2HG       ARG  35  -9.592 -18.886  -4.578
  268   2HG   ARG  35          1HG       ARG  35  -8.411 -19.531  -3.439
  269   1HD   ARG  35          2HD       ARG  35 -10.898 -20.429  -2.477
  270   2HD   ARG  35          1HD       ARG  35 -10.960 -20.666  -4.235
  271    HE   ARG  35           HE       ARG  35  -8.387 -21.476  -3.373
  272   1HH1  ARG  35          1HH2      ARG  35 -10.008 -23.303  -4.982
  273   2HH1  ARG  35          2HH2      ARG  35 -10.425 -24.561  -3.867
  274   1HH2  ARG  35          2HH1      ARG  35  -9.647 -22.690  -1.055
  275   2HH2  ARG  35          1HH1      ARG  35 -10.222 -24.213  -1.644
  276    H    GLY  36           H        GLY  36  -8.035 -16.085  -0.751
  277   1HA   GLY  36          2HA       GLY  36  -5.249 -16.721  -0.796
  278   2HA   GLY  36          1HA       GLY  36  -5.713 -16.087  -2.375
  279    H    THR  37           H        THR  37  -4.019 -14.443  -1.391
  280    HA   THR  37           HA       THR  37  -5.621 -12.173  -0.307
  281    HB   THR  37           HB       THR  37  -3.099 -13.396   0.845
  282    HG1  THR  37           HG1      THR  37  -5.329 -12.610   2.316
  283   1HG2  THR  37          1HG2      THR  37  -3.247 -11.442   2.473
  284   2HG2  THR  37          2HG2      THR  37  -4.341 -10.680   1.317
  285   3HG2  THR  37          3HG2      THR  37  -2.678 -11.044   0.851
  286    H    ARG  38           H        ARG  38  -4.898 -10.170  -1.098
  287    HA   ARG  38           HA       ARG  38  -2.335 -10.110  -2.633
  288   1HB   ARG  38          2HB       ARG  38  -5.151  -9.660  -3.588
  289   2HB   ARG  38          1HB       ARG  38  -3.822  -8.801  -4.369
  290   1HG   ARG  38          2HG       ARG  38  -3.106 -11.572  -4.009
  291   2HG   ARG  38          1HG       ARG  38  -4.654 -11.461  -4.849
  292   1HD   ARG  38          2HD       ARG  38  -3.721 -10.105  -6.593
  293   2HD   ARG  38          1HD       ARG  38  -2.228  -9.835  -5.672
  294    HE   ARG  38           HE       ARG  38  -2.972 -12.344  -7.051
  295   1HH1  ARG  38          1HH2      ARG  38  -0.387 -10.449  -6.473
  296   2HH1  ARG  38          2HH2      ARG  38   0.656 -11.678  -5.838
  297   1HH2  ARG  38          2HH1      ARG  38  -1.870 -14.033  -5.527
  298   2HH2  ARG  38          1HH1      ARG  38  -0.184 -13.706  -5.301
  299    H    ILE  39           H        ILE  39  -1.260  -8.172  -2.334
  300    HA   ILE  39           HA       ILE  39  -2.672  -6.061  -0.759
  301    HB   ILE  39           HB       ILE  39   0.212  -6.864  -1.195
  302   1HG1  ILE  39          2HG1      ILE  39  -0.673  -6.479   1.531
  303   2HG1  ILE  39          1HG1      ILE  39  -1.778  -7.565   0.686
  304   1HG2  ILE  39          1HG2      ILE  39  -0.925  -4.393   0.136
  305   2HG2  ILE  39          2HG2      ILE  39   0.251  -4.462  -1.176
  306   3HG2  ILE  39          3HG2      ILE  39   0.706  -4.987   0.445
  307   1HD1  ILE  39          1HD1      ILE  39   0.774  -8.372  -0.139
  308   2HD1  ILE  39          2HD1      ILE  39  -0.266  -9.204   1.018
  309   3HD1  ILE  39          3HD1      ILE  39   0.943  -8.054   1.587
  310    H    GLU  40           H        GLU  40  -2.771  -3.944  -1.537
  311    HA   GLU  40           HA       GLU  40  -1.507  -3.381  -4.195
  312   1HB   GLU  40          2HB       GLU  40  -4.272  -3.733  -3.525
  313   2HB   GLU  40          1HB       GLU  40  -4.020  -2.038  -3.944
  314   1HG   GLU  40          2HG       GLU  40  -3.059  -4.361  -5.636
  315   2HG   GLU  40          1HG       GLU  40  -4.561  -3.483  -5.925
  316    H    ARG  41           H        ARG  41  -0.056  -1.764  -3.683
  317    HA   ARG  41           HA       ARG  41  -0.673   0.176  -1.541
  318   1HB   ARG  41          2HB       ARG  41   1.621  -0.951  -2.898
  319   2HB   ARG  41          1HB       ARG  41   1.725   0.810  -2.891
  320   1HG   ARG  41          2HG       ARG  41   1.413   0.863  -0.474
  321   2HG   ARG  41          1HG       ARG  41   1.173  -0.884  -0.439
  322   1HD   ARG  41          2HD       ARG  41   3.409  -1.190  -0.281
  323   2HD   ARG  41          1HD       ARG  41   3.643  -0.315  -1.808
  324    HE   ARG  41           HE       ARG  41   3.070   1.627   0.162
  325   1HH1  ARG  41          1HH2      ARG  41   5.511   1.812  -1.486
  326   2HH1  ARG  41          2HH2      ARG  41   6.778   1.560  -0.332
  327   1HH2  ARG  41          2HH1      ARG  41   4.681   0.194   2.068
  328   2HH2  ARG  41          1HH1      ARG  41   6.308   0.641   1.679
  329    H    GLY  42           H        GLY  42   0.256   2.529  -2.284
  330   1HA   GLY  42          2HA       GLY  42  -0.071   3.527  -4.874
  331   2HA   GLY  42          1HA       GLY  42  -1.687   3.542  -4.166
  332    H    CYS  43           H        CYS  43  -0.838   5.985  -4.745
  333    HA   CYS  43           HA       CYS  43   0.309   7.101  -2.206
  334   1HB   CYS  43          2HB       CYS  43   1.715   7.498  -4.128
  335   2HB   CYS  43          1HB       CYS  43   0.336   8.025  -5.094
  336    H    ALA  44           H        ALA  44  -1.226   8.120  -0.971
  337    HA   ALA  44           HA       ALA  44  -3.181   9.922  -2.237
  338   1HB   ALA  44          1HB       ALA  44  -5.114   8.654  -1.362
  339   2HB   ALA  44          2HB       ALA  44  -4.021   7.424  -0.727
  340   3HB   ALA  44          3HB       ALA  44  -4.167   7.660  -2.469
  341    H    ALA  45           H        ALA  45  -4.746  10.706  -0.340
  342    HA   ALA  45           HA       ALA  45  -3.178  10.899   2.207
  343   1HB   ALA  45          1HB       ALA  45  -4.202  13.358   2.054
  344   2HB   ALA  45          2HB       ALA  45  -4.200  12.994   0.329
  345   3HB   ALA  45          3HB       ALA  45  -2.691  12.953   1.241
  346    H    THR  46           H        THR  46  -6.006   9.916   0.828
  347    HA   THR  46           HA       THR  46  -7.926  11.009   2.752
  348    HB   THR  46           HB       THR  46  -8.150   8.636   0.874
  349    HG1  THR  46           HG1      THR  46  -8.991  11.228   0.235
  350   1HG2  THR  46          1HG2      THR  46 -10.539   9.233   0.881
  351   2HG2  THR  46          2HG2      THR  46 -10.207  10.558   1.996
  352   3HG2  THR  46          3HG2      THR  46  -9.974   8.890   2.516
  353    H    CYS  47           H        CYS  47  -6.112   7.987   2.333
  354    HA   CYS  47           HA       CYS  47  -5.924   6.096   3.747
  355   1HB   CYS  47          2HB       CYS  47  -4.922   8.284   4.848
  356   2HB   CYS  47          1HB       CYS  47  -6.245   8.060   5.988
  357    HA   PRO  48           HA       PRO  48 -10.457   6.051   4.730
  358   1HB   PRO  48          2HB       PRO  48 -11.053   3.855   3.214
  359   2HB   PRO  48          1HB       PRO  48 -11.054   5.506   2.563
  360   1HG   PRO  48          2HG       PRO  48  -9.008   3.369   2.296
  361   2HG   PRO  48          1HG       PRO  48  -9.528   4.590   1.125
  362   1HD   PRO  48          2HD       PRO  48  -7.219   4.747   2.602
  363   2HD   PRO  48          1HD       PRO  48  -8.067   6.150   1.916
  364    H    LYS  49           H        LYS  49 -11.650   3.683   5.259
  365    HA   LYS  49           HA       LYS  49  -9.725   2.277   7.082
  366   1HB   LYS  49          2HB       LYS  49 -11.724   1.925   8.502
  367   2HB   LYS  49          1HB       LYS  49 -11.470   3.639   8.180
  368   1HG   LYS  49          2HG       LYS  49 -13.569   3.736   7.375
  369   2HG   LYS  49          1HG       LYS  49 -13.052   2.694   6.048
  370   1HD   LYS  49          2HD       LYS  49 -14.143   0.906   6.895
  371   2HD   LYS  49          1HD       LYS  49 -13.522   1.203   8.520
  372   1HE   LYS  49          2HE       LYS  49 -15.229   3.102   8.692
  373   2HE   LYS  49          1HE       LYS  49 -15.962   2.441   7.215
  374   1HZ   LYS  49          1HZ       LYS  49 -16.219   0.328   8.254
  375   2HZ   LYS  49          2HZ       LYS  49 -16.880   1.486   9.308
  376   3HZ   LYS  49          3HZ       LYS  49 -15.350   0.817   9.625
  377    H    GLY  50           H        GLY  50 -11.167   0.063   7.730
  378   1HA   GLY  50          2HA       GLY  50 -12.440  -1.217   5.466
  379   2HA   GLY  50          1HA       GLY  50 -10.771  -1.759   5.656
  380    H    SER  51           H        SER  51 -11.647  -3.904   6.172
  381    HA   SER  51           HA       SER  51 -12.500  -4.076   9.039
  382   1HB   SER  51          2HB       SER  51 -13.607  -6.115   7.236
  383   2HB   SER  51          1HB       SER  51 -14.424  -5.135   8.450
  384    HG   SER  51           HG       SER  51 -14.159  -4.758   5.750
  385    H    VAL  52           H        VAL  52 -12.107  -6.335   9.908
  386    HA   VAL  52           HA       VAL  52  -9.469  -7.215   9.641
  387    HB   VAL  52           HB       VAL  52 -10.458  -9.392  10.551
  388   1HG1  VAL  52          1HG1      VAL  52 -11.757  -7.244  12.114
  389   2HG1  VAL  52          2HG1      VAL  52 -10.056  -6.965  11.740
  390   3HG1  VAL  52          3HG1      VAL  52 -10.541  -8.419  12.611
  391   1HG2  VAL  52          1HG2      VAL  52 -12.640  -9.788  10.154
  392   2HG2  VAL  52          2HG2      VAL  52 -12.798  -8.216   9.371
  393   3HG2  VAL  52          3HG2      VAL  52 -13.057  -8.365  11.109
  394    H    TYR  53           H        TYR  53 -12.226  -7.927   7.582
  395    HA   TYR  53           HA       TYR  53 -10.424  -9.571   5.834
  396   1HB   TYR  53          2HB       TYR  53 -12.607 -10.839   5.340
  397   2HB   TYR  53          1HB       TYR  53 -11.907 -11.084   6.941
  398    HD1  TYR  53           HD1      TYR  53 -14.238  -8.715   5.187
  399    HD2  TYR  53           HD2      TYR  53 -13.317 -10.876   8.784
  400    HE1  TYR  53           HE1      TYR  53 -16.320  -7.866   6.230
  401    HE2  TYR  53           HE2      TYR  53 -15.401 -10.027   9.827
  402    HH   TYR  53           HH       TYR  53 -17.207  -8.778   9.565
  403    H    GLY  54           H        GLY  54 -11.259  -6.664   5.757
  404   1HA   GLY  54          2HA       GLY  54 -12.814  -6.689   3.205
  405   2HA   GLY  54          1HA       GLY  54 -12.721  -5.309   4.301
  406    H    LEU  55           H        LEU  55 -10.457  -4.404   4.614
  407    HA   LEU  55           HA       LEU  55  -8.517  -4.930   2.468
  408   1HB   LEU  55          2HB       LEU  55  -8.745  -2.477   1.723
  409   2HB   LEU  55          1HB       LEU  55 -10.040  -3.569   1.234
  410    HG   LEU  55           HG       LEU  55 -10.321  -2.171   3.859
  411   1HD1  LEU  55          1HD1      LEU  55  -9.634  -0.647   1.694
  412   2HD1  LEU  55          2HD1      LEU  55 -10.661  -0.083   3.012
  413   3HD1  LEU  55          3HD1      LEU  55 -11.389  -0.699   1.529
  414   1HD2  LEU  55          1HD2      LEU  55 -12.352  -3.118   3.620
  415   2HD2  LEU  55          2HD2      LEU  55 -11.920  -3.690   2.009
  416   3HD2  LEU  55          3HD2      LEU  55 -12.637  -2.092   2.214
  417    H    TYR  56           H        TYR  56  -6.634  -4.834   3.628
  418    HA   TYR  56           HA       TYR  56  -6.419  -3.267   6.091
  419   1HB   TYR  56          2HB       TYR  56  -5.363  -5.568   5.264
  420   2HB   TYR  56          1HB       TYR  56  -4.093  -4.502   4.660
  421    HD1  TYR  56           HD1      TYR  56  -6.175  -4.992   7.749
  422    HD2  TYR  56           HD2      TYR  56  -2.344  -3.967   6.098
  423    HE1  TYR  56           HE1      TYR  56  -5.238  -4.803  10.037
  424    HE2  TYR  56           HE2      TYR  56  -1.407  -3.779   8.386
  425    HH   TYR  56           HH       TYR  56  -2.971  -4.973  11.114
  426    H    VAL  57           H        VAL  57  -6.564  -1.048   5.475
  427    HA   VAL  57           HA       VAL  57  -4.748  -0.010   3.382
  428    HB   VAL  57           HB       VAL  57  -6.796   1.275   5.218
  429   1HG1  VAL  57          1HG1      VAL  57  -6.577   2.941   3.096
  430   2HG1  VAL  57          2HG1      VAL  57  -4.920   2.344   3.177
  431   3HG1  VAL  57          3HG1      VAL  57  -5.638   3.144   4.574
  432   1HG2  VAL  57          1HG2      VAL  57  -7.273   1.083   2.311
  433   2HG2  VAL  57          2HG2      VAL  57  -8.373   0.771   3.654
  434   3HG2  VAL  57          3HG2      VAL  57  -7.229  -0.472   3.144
  435    H    LEU  58           H        LEU  58  -2.695   0.589   3.936
  436    HA   LEU  58           HA       LEU  58  -2.222   1.629   6.714
  437   1HB   LEU  58          2HB       LEU  58  -1.364  -0.665   6.334
  438   2HB   LEU  58          1HB       LEU  58  -0.440  -0.084   4.948
  439    HG   LEU  58           HG       LEU  58   0.633   1.589   6.585
  440   1HD1  LEU  58          1HD1      LEU  58  -0.927  -0.201   8.415
  441   2HD1  LEU  58          2HD1      LEU  58  -0.635   1.534   8.531
  442   3HD1  LEU  58          3HD1      LEU  58   0.645   0.395   8.952
  443   1HD2  LEU  58          1HD2      LEU  58   2.032  -0.421   7.604
  444   2HD2  LEU  58          2HD2      LEU  58   2.097  -0.073   5.876
  445   3HD2  LEU  58          3HD2      LEU  58   1.070  -1.376   6.475
  446    H    CYS  59           H        CYS  59  -2.113   3.847   6.227
  447    HA   CYS  59           HA       CYS  59  -0.626   4.787   3.858
  448   1HB   CYS  59          2HB       CYS  59  -1.793   6.415   6.125
  449   2HB   CYS  59          1HB       CYS  59  -1.544   6.908   4.453
  450    H    CYS  60           H        CYS  60   1.489   5.435   3.909
  451    HA   CYS  60           HA       CYS  60   2.711   6.231   6.502
  452   1HB   CYS  60          2HB       CYS  60   4.693   4.665   5.578
  453   2HB   CYS  60          1HB       CYS  60   3.430   4.040   6.624
  454    H    THR  61           H        THR  61   5.094   6.945   6.007
  455    HA   THR  61           HA       THR  61   5.492   7.994   3.296
  456    HB   THR  61           HB       THR  61   5.842  10.284   4.700
  457    HG1  THR  61           HG1      THR  61   3.737  10.161   6.007
  458   1HG2  THR  61          1HG2      THR  61   4.089  11.019   3.443
  459   2HG2  THR  61          2HG2      THR  61   3.008   9.761   4.046
  460   3HG2  THR  61          3HG2      THR  61   4.151   9.396   2.753
  461    H    THR  62           H        THR  62   7.652   9.422   3.425
  462    HA   THR  62           HA       THR  62   9.970   9.418   3.897
  463    HB   THR  62           HB       THR  62   9.396   8.308   6.609
  464    HG1  THR  62           HG1      THR  62   8.515  10.463   7.097
  465   1HG2  THR  62          1HG2      THR  62  11.182   9.582   7.172
  466   2HG2  THR  62          2HG2      THR  62  10.569  10.981   6.290
  467   3HG2  THR  62          3HG2      THR  62  11.455   9.718   5.435
  468    H    ASP  63           H        ASP  63  11.074   7.805   2.827
  469    HA   ASP  63           HA       ASP  63  12.065   5.692   2.444
  470   1HB   ASP  63          2HB       ASP  63  12.319   6.163   5.029
  471   2HB   ASP  63          1HB       ASP  63  11.119   4.878   5.178
  472    H    ASP  64           H        ASP  64  11.186   4.026   1.264
  473    HA   ASP  64           HA       ASP  64   9.602   2.428   0.520
  474   1HB   ASP  64          2HB       ASP  64   9.614   2.500   3.395
  475   2HB   ASP  64          1HB       ASP  64   7.970   2.188   2.836
  476    H    CYS  65           H        CYS  65   7.524   4.235   2.862
  477    HA   CYS  65           HA       CYS  65   5.515   4.589   0.741
  478   1HB   CYS  65          2HB       CYS  65   5.671   5.377   3.666
  479   2HB   CYS  65          1HB       CYS  65   4.224   5.509   2.666
  480    H    ASN  66           HN       ASN  66   8.252   6.120   0.960
  481    HA   ASN  66           HA       ASN  66   7.292   8.917   1.157
  482   1HB   ASN  66          2HB       ASN  66   9.759   9.348   0.832
  483   2HB   ASN  66          1HB       ASN  66   9.393   8.315   2.212
  484   1HD2  ASN  66          1HD2      ASN  66  11.711   8.514   0.022
  485   2HD2  ASN  66          2HD2      ASN  66  11.975   6.881  -0.355
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1  13.376  12.066  -1.671
    2   2H    MET   1          2H        MET   1  13.705  10.467  -2.143
    3   3H    MET   1          3H        MET   1  14.174  11.016  -0.605
    4    HA   MET   1           HA       MET   1  12.278   9.965   0.035
    5   1HB   MET   1          2HB       MET   1  11.638  12.724  -1.001
    6   2HB   MET   1          1HB       MET   1  10.404  11.767  -0.183
    7   1HG   MET   1          2HG       MET   1  11.909  11.515   1.770
    8   2HG   MET   1          1HG       MET   1  13.117  12.509   0.955
    9   1HE   MET   1          1HE       MET   1   9.959  11.989   2.546
   10   2HE   MET   1          2HE       MET   1   8.973  13.050   1.543
   11   3HE   MET   1          3HE       MET   1   9.398  13.542   3.181
   12    H    LYS   2           H        LYS   2  11.917   8.176  -1.388
   13    HA   LYS   2           HA       LYS   2   9.826   8.671  -3.478
   14   1HB   LYS   2          2HB       LYS   2  12.190   6.776  -3.670
   15   2HB   LYS   2          1HB       LYS   2  11.036   7.156  -4.949
   16   1HG   LYS   2          2HG       LYS   2  11.821   9.417  -5.106
   17   2HG   LYS   2          1HG       LYS   2  12.777   9.254  -3.633
   18   1HD   LYS   2          2HD       LYS   2  13.478   7.198  -5.563
   19   2HD   LYS   2          1HD       LYS   2  13.666   8.810  -6.256
   20   1HE   LYS   2          2HE       LYS   2  15.303   9.429  -4.720
   21   2HE   LYS   2          1HE       LYS   2  14.713   8.300  -3.484
   22   1HZ   LYS   2          1HZ       LYS   2  16.413   7.046  -4.258
   23   2HZ   LYS   2          2HZ       LYS   2  16.438   7.801  -5.779
   24   3HZ   LYS   2          3HZ       LYS   2  15.278   6.607  -5.439
   25    H    CYS   3           H        CYS   3   8.603   6.621  -3.981
   26    HA   CYS   3           HA       CYS   3   8.522   4.797  -1.594
   27   1HB   CYS   3          2HB       CYS   3   6.649   6.580  -2.232
   28   2HB   CYS   3          1HB       CYS   3   6.144   5.308  -3.341
   29    H    LYS   4           H        LYS   4   9.107   2.754  -2.158
   30    HA   LYS   4           HA       LYS   4   9.155   1.909  -4.976
   31   1HB   LYS   4          2HB       LYS   4  10.855   1.459  -3.065
   32   2HB   LYS   4          1HB       LYS   4   9.713   0.225  -2.532
   33   1HG   LYS   4          2HG       LYS   4   9.786  -0.577  -5.013
   34   2HG   LYS   4          1HG       LYS   4  11.279   0.357  -5.099
   35   1HD   LYS   4          2HD       LYS   4  10.969  -1.463  -2.762
   36   2HD   LYS   4          1HD       LYS   4  11.243  -2.221  -4.332
   37   1HE   LYS   4          2HE       LYS   4  13.260  -0.826  -4.662
   38   2HE   LYS   4          1HE       LYS   4  12.995  -0.077  -3.075
   39   1HZ   LYS   4          1HZ       LYS   4  13.129  -2.214  -2.029
   40   2HZ   LYS   4          2HZ       LYS   4  14.516  -2.008  -2.988
   41   3HZ   LYS   4          3HZ       LYS   4  13.248  -3.002  -3.526
   42    H    ILE   5           H        ILE   5   7.473   0.843  -5.935
   43    HA   ILE   5           HA       ILE   5   5.472  -0.526  -4.163
   44    HB   ILE   5           HB       ILE   5   5.224   1.119  -6.690
   45   1HG1  ILE   5          2HG1      ILE   5   3.296   1.743  -4.703
   46   2HG1  ILE   5          1HG1      ILE   5   4.840   1.564  -3.869
   47   1HG2  ILE   5          1HG2      ILE   5   3.711  -0.568  -7.211
   48   2HG2  ILE   5          2HG2      ILE   5   2.687   0.511  -6.263
   49   3HG2  ILE   5          3HG2      ILE   5   3.377  -0.931  -5.518
   50   1HD1  ILE   5          1HD1      ILE   5   5.818   3.326  -5.004
   51   2HD1  ILE   5          2HD1      ILE   5   4.145   3.881  -4.980
   52   3HD1  ILE   5          3HD1      ILE   5   4.798   3.112  -6.426
   53    H    CYS   6           H        CYS   6   5.081  -2.670  -4.659
   54    HA   CYS   6           HA       CYS   6   5.356  -3.780  -7.319
   55   1HB   CYS   6          2HB       CYS   6   7.407  -5.093  -6.859
   56   2HB   CYS   6          1HB       CYS   6   7.725  -3.361  -6.749
   57    H    ASN   7           H        ASN   7   3.500  -3.838  -5.011
   58    HA   ASN   7           HA       ASN   7   2.157  -5.416  -3.873
   59   1HB   ASN   7          2HB       ASN   7   2.370  -6.225  -6.349
   60   2HB   ASN   7          1HB       ASN   7   3.429  -7.467  -5.680
   61   1HD2  ASN   7          1HD2      ASN   7   0.417  -7.337  -6.725
   62   2HD2  ASN   7          2HD2      ASN   7  -0.400  -8.258  -5.557
   63    H    PHE   8           H        PHE   8   2.929  -5.726  -1.797
   64    HA   PHE   8           HA       PHE   8   5.487  -6.683  -1.043
   65   1HB   PHE   8          2HB       PHE   8   2.799  -6.304   0.155
   66   2HB   PHE   8          1HB       PHE   8   3.861  -7.414   1.020
   67    HD1  PHE   8           HD1      PHE   8   3.709  -3.983  -0.452
   68    HD2  PHE   8           HD2      PHE   8   5.629  -6.602   2.361
   69    HE1  PHE   8           HE1      PHE   8   4.962  -2.060   0.486
   70    HE2  PHE   8           HE2      PHE   8   6.881  -4.678   3.298
   71    HZ   PHE   8           HZ       PHE   8   6.548  -2.407   2.360
   72    H    ASP   9           H        ASP   9   6.035  -8.819  -0.110
   73    HA   ASP   9           HA       ASP   9   6.012 -11.189  -0.072
   74   1HB   ASP   9          2HB       ASP   9   3.451 -10.419   0.298
   75   2HB   ASP   9          1HB       ASP   9   3.274 -11.256  -1.245
   76    H    THR  10           H        THR  10   6.151  -9.309  -2.679
   77    HA   THR  10           HA       THR  10   7.104 -11.330  -4.469
   78    HB   THR  10           HB       THR  10   4.773 -12.017  -4.536
   79    HG1  THR  10           HG1      THR  10   5.874 -11.956  -6.533
   80   1HG2  THR  10          1HG2      THR  10   2.966 -10.514  -4.996
   81   2HG2  THR  10          2HG2      THR  10   4.076  -9.204  -5.400
   82   3HG2  THR  10          3HG2      THR  10   3.935  -9.758  -3.731
   83    H    CYS  11           H        CYS  11   8.332  -9.035  -3.927
   84    HA   CYS  11           HA       CYS  11   7.569  -6.745  -5.509
   85   1HB   CYS  11          2HB       CYS  11   9.181  -7.085  -3.459
   86   2HB   CYS  11          1HB       CYS  11  10.389  -7.414  -4.700
   87    H    ARG  12           H        ARG  12   7.182  -7.599  -7.661
   88    HA   ARG  12           HA       ARG  12   9.653  -8.504  -9.103
   89   1HB   ARG  12          2HB       ARG  12   6.717  -9.130  -9.295
   90   2HB   ARG  12          1HB       ARG  12   7.746  -9.352 -10.710
   91   1HG   ARG  12          2HG       ARG  12   9.248 -10.513  -8.712
   92   2HG   ARG  12          1HG       ARG  12   7.603 -10.933  -8.236
   93   1HD   ARG  12          2HD       ARG  12   8.208 -11.250 -11.128
   94   2HD   ARG  12          1HD       ARG  12   9.010 -12.395 -10.035
   95    HE   ARG  12           HE       ARG  12   6.431 -12.340  -9.074
   96   1HH1  ARG  12          2HH1      ARG  12   6.137 -11.606 -12.140
   97   2HH1  ARG  12          1HH1      ARG  12   5.631 -13.149 -12.742
   98   1HH2  ARG  12          1HH2      ARG  12   6.512 -14.859  -9.856
   99   2HH2  ARG  12          2HH2      ARG  12   5.845 -14.991 -11.450
  100    H    ALA  13           H        ALA  13   7.420  -5.954  -8.761
  101    HA   ALA  13           HA       ALA  13   7.790  -4.991 -11.555
  102   1HB   ALA  13          1HB       ALA  13   6.248  -3.166 -10.142
  103   2HB   ALA  13          2HB       ALA  13   5.861  -4.700  -9.363
  104   3HB   ALA  13          3HB       ALA  13   5.618  -4.505 -11.099
  105    H    GLY  14           H        GLY  14   8.764  -4.314  -8.245
  106   1HA   GLY  14          2HA       GLY  14  10.100  -2.583  -7.350
  107   2HA   GLY  14          1HA       GLY  14  11.072  -2.891  -8.791
  108    H    GLU  15           H        GLU  15   7.769  -1.597  -8.665
  109    HA   GLU  15           HA       GLU  15   8.615   0.672 -10.356
  110   1HB   GLU  15          2HB       GLU  15   6.374  -0.955 -10.096
  111   2HB   GLU  15          1HB       GLU  15   5.849   0.576  -9.396
  112   1HG   GLU  15          2HG       GLU  15   7.153   0.266 -12.116
  113   2HG   GLU  15          1HG       GLU  15   5.424   0.488 -11.840
  114    H    LEU  16           H        LEU  16   9.831   1.970  -8.837
  115    HA   LEU  16           HA       LEU  16   8.434   2.911  -6.391
  116   1HB   LEU  16          2HB       LEU  16  10.709   2.306  -6.070
  117   2HB   LEU  16          1HB       LEU  16  11.216   3.113  -7.554
  118    HG   LEU  16           HG       LEU  16   9.894   4.839  -5.536
  119   1HD1  LEU  16          1HD1      LEU  16  12.448   3.348  -5.043
  120   2HD1  LEU  16          2HD1      LEU  16  11.187   3.814  -3.900
  121   3HD1  LEU  16          3HD1      LEU  16  12.325   5.021  -4.498
  122   1HD2  LEU  16          1HD2      LEU  16  11.574   5.067  -7.833
  123   2HD2  LEU  16          2HD2      LEU  16  12.457   5.731  -6.459
  124   3HD2  LEU  16          3HD2      LEU  16  10.865   6.367  -6.876
  125    H    LYS  17           H        LYS  17   8.072   5.196  -6.036
  126    HA   LYS  17           HA       LYS  17   8.322   6.964  -8.424
  127   1HB   LYS  17          2HB       LYS  17   5.846   6.441  -6.742
  128   2HB   LYS  17          1HB       LYS  17   5.961   7.674  -7.998
  129   1HG   LYS  17          2HG       LYS  17   6.886   5.254  -9.150
  130   2HG   LYS  17          1HG       LYS  17   5.392   4.872  -8.293
  131   1HD   LYS  17          2HD       LYS  17   4.703   5.553 -10.466
  132   2HD   LYS  17          1HD       LYS  17   4.394   6.945  -9.427
  133   1HE   LYS  17          2HE       LYS  17   6.340   8.093 -10.212
  134   2HE   LYS  17          1HE       LYS  17   6.979   6.628 -10.982
  135   1HZ   LYS  17          1HZ       LYS  17   5.029   6.577 -12.416
  136   2HZ   LYS  17          2HZ       LYS  17   5.872   8.039 -12.609
  137   3HZ   LYS  17          3HZ       LYS  17   4.438   7.995 -11.698
  138    H    VAL  18           H        VAL  18   6.810   9.070  -7.101
  139    HA   VAL  18           HA       VAL  18   8.643   9.688  -4.809
  140    HB   VAL  18           HB       VAL  18   8.359  12.070  -5.723
  141   1HG1  VAL  18          1HG1      VAL  18   9.659  10.775  -7.954
  142   2HG1  VAL  18          2HG1      VAL  18  10.074   9.945  -6.455
  143   3HG1  VAL  18          3HG1      VAL  18  10.387  11.672  -6.622
  144   1HG2  VAL  18          1HG2      VAL  18   7.727  10.894  -8.369
  145   2HG2  VAL  18          2HG2      VAL  18   7.219  12.433  -7.674
  146   3HG2  VAL  18          3HG2      VAL  18   6.385  10.945  -7.226
  147    H    CYS  19           H        CYS  19   7.586  10.278  -2.947
  148    HA   CYS  19           HA       CYS  19   4.939  11.566  -3.034
  149   1HB   CYS  19          2HB       CYS  19   5.333   8.705  -2.769
  150   2HB   CYS  19          1HB       CYS  19   4.553   9.355  -1.327
  151    H    ALA  20           H        ALA  20   4.261  10.917  -0.329
  152    HA   ALA  20           HA       ALA  20   4.694  11.807   1.823
  153   1HB   ALA  20          1HB       ALA  20   6.387  10.565   2.735
  154   2HB   ALA  20          2HB       ALA  20   7.560  11.115   1.538
  155   3HB   ALA  20          3HB       ALA  20   6.435   9.817   1.139
  156    H    SER  21           H        SER  21   5.308  13.531  -0.668
  157    HA   SER  21           HA       SER  21   7.574  15.205   0.089
  158   1HB   SER  21          2HB       SER  21   5.506  15.008  -2.015
  159   2HB   SER  21          1HB       SER  21   6.070  16.643  -1.691
  160    HG   SER  21           HG       SER  21   7.298  15.348  -3.270
  161    H    GLY  22           H        GLY  22   4.180  15.097   0.870
  162   1HA   GLY  22          2HA       GLY  22   4.305  16.900   3.014
  163   2HA   GLY  22          1HA       GLY  22   3.852  17.864   1.608
  164    H    GLU  23           H        GLU  23   2.081  16.558   0.219
  165    HA   GLU  23           HA       GLU  23  -0.034  15.702   2.172
  166   1HB   GLU  23          2HB       GLU  23   0.101  17.832   0.321
  167   2HB   GLU  23          1HB       GLU  23  -1.007  16.656  -0.386
  168   1HG   GLU  23          2HG       GLU  23  -1.697  16.722   2.325
  169   2HG   GLU  23          1HG       GLU  23  -1.404  18.410   1.902
  170    H    LYS  24           H        LYS  24   2.015  14.113   0.511
  171    HA   LYS  24           HA       LYS  24   0.023  12.387  -0.928
  172   1HB   LYS  24          2HB       LYS  24   2.754  13.417  -1.623
  173   2HB   LYS  24          1HB       LYS  24   2.254  11.850  -2.261
  174   1HG   LYS  24          2HG       LYS  24   1.417  13.194  -3.935
  175   2HG   LYS  24          1HG       LYS  24   0.034  13.228  -2.841
  176   1HD   LYS  24          2HD       LYS  24   1.405  15.261  -1.778
  177   2HD   LYS  24          1HD       LYS  24   2.047  15.355  -3.419
  178   1HE   LYS  24          2HE       LYS  24  -0.928  15.225  -2.833
  179   2HE   LYS  24          1HE       LYS  24  -0.044  16.750  -3.036
  180   1HZ   LYS  24          1HZ       LYS  24   0.332  16.359  -5.215
  181   2HZ   LYS  24          2HZ       LYS  24  -1.063  15.400  -5.083
  182   3HZ   LYS  24          3HZ       LYS  24   0.475  14.681  -5.014
  183    H    TYR  25           H        TYR  25  -0.239  10.743   0.596
  184    HA   TYR  25           HA       TYR  25   2.216   9.556   1.823
  185   1HB   TYR  25          2HB       TYR  25  -0.747   9.333   2.457
  186   2HB   TYR  25          1HB       TYR  25   0.545   8.583   3.394
  187    HD1  TYR  25           HD1      TYR  25  -0.437  11.939   2.025
  188    HD2  TYR  25           HD2      TYR  25   1.417   9.743   5.216
  189    HE1  TYR  25           HE1      TYR  25  -0.137  14.045   3.300
  190    HE2  TYR  25           HE2      TYR  25   1.718  11.848   6.491
  191    HH   TYR  25           HH       TYR  25   0.565  14.139   6.548
  192    H    CYS  26           H        CYS  26   2.830   7.486   1.212
  193    HA   CYS  26           HA       CYS  26   1.722   6.197  -1.078
  194   1HB   CYS  26          2HB       CYS  26   3.881   5.915   0.719
  195   2HB   CYS  26          1HB       CYS  26   3.022   4.375   0.770
  196    H    PHE  27           H        PHE  27  -0.403   5.529  -1.076
  197    HA   PHE  27           HA       PHE  27  -1.716   4.537   1.348
  198   1HB   PHE  27          2HB       PHE  27  -3.008   5.856  -0.149
  199   2HB   PHE  27          1HB       PHE  27  -2.451   4.947  -1.553
  200    HD1  PHE  27           HD1      PHE  27  -3.401   3.317   1.616
  201    HD2  PHE  27           HD2      PHE  27  -4.680   4.373  -2.347
  202    HE1  PHE  27           HE1      PHE  27  -5.340   1.787   1.834
  203    HE2  PHE  27           HE2      PHE  27  -6.619   2.843  -2.128
  204    HZ   PHE  27           HZ       PHE  27  -6.950   1.550  -0.038
  205    H    LYS  28           H        LYS  28  -0.877   2.523   1.956
  206    HA   LYS  28           HA       LYS  28  -0.604   0.394  -0.108
  207   1HB   LYS  28          2HB       LYS  28   0.811   1.174   2.176
  208   2HB   LYS  28          1HB       LYS  28  -0.032  -0.293   2.674
  209   1HG   LYS  28          2HG       LYS  28   1.314  -1.593   1.415
  210   2HG   LYS  28          1HG       LYS  28   1.089  -0.564   0.000
  211   1HD   LYS  28          2HD       LYS  28   2.691   0.877   1.868
  212   2HD   LYS  28          1HD       LYS  28   3.377  -0.740   1.710
  213   1HE   LYS  28          2HE       LYS  28   4.081  -0.343  -0.420
  214   2HE   LYS  28          1HE       LYS  28   2.552   0.445  -0.861
  215   1HZ   LYS  28          1HZ       LYS  28   4.203   1.829   1.092
  216   2HZ   LYS  28          2HZ       LYS  28   3.277   2.458  -0.186
  217   3HZ   LYS  28          3HZ       LYS  28   4.812   1.796  -0.491
  218    H    GLU  29           H        GLU  29  -2.233  -1.108  -0.342
  219    HA   GLU  29           HA       GLU  29  -4.219  -1.362   1.897
  220   1HB   GLU  29          2HB       GLU  29  -4.660  -0.275  -0.531
  221   2HB   GLU  29          1HB       GLU  29  -4.959  -1.968  -0.925
  222   1HG   GLU  29          2HG       GLU  29  -6.402  -1.923   1.278
  223   2HG   GLU  29          1HG       GLU  29  -6.429  -0.184   0.988
  224    H    SER  30           H        SER  30  -5.136  -3.502   2.169
  225    HA   SER  30           HA       SER  30  -3.847  -5.733   0.680
  226   1HB   SER  30          2HB       SER  30  -2.340  -5.826   2.397
  227   2HB   SER  30          1HB       SER  30  -3.359  -4.866   3.465
  228    HG   SER  30           HG       SER  30  -4.606  -6.717   3.840
  229    H    TRP  31           H        TRP  31  -5.794  -6.586  -0.082
  230    HA   TRP  31           HA       TRP  31  -8.155  -6.768   1.670
  231   1HB   TRP  31          2HB       TRP  31  -7.514  -6.744  -1.120
  232   2HB   TRP  31          1HB       TRP  31  -8.401  -8.230  -0.779
  233    HD1  TRP  31           HD1      TRP  31 -10.630  -7.694   0.988
  234    HE1  TRP  31           HE1      TRP  31 -12.418  -5.873   0.631
  235    HE3  TRP  31           HE3      TRP  31  -8.103  -4.587  -2.181
  236    HZ2  TRP  31           HZ2      TRP  31 -12.735  -3.421  -0.809
  237    HZ3  TRP  31           HZ3      TRP  31  -9.170  -2.518  -3.028
  238    HH2  TRP  31           HH2      TRP  31 -11.480  -1.931  -2.347
  239    H    ARG  32           H        ARG  32  -8.411  -8.480   3.043
  240    HA   ARG  32           HA       ARG  32  -6.805 -10.941   2.652
  241   1HB   ARG  32          2HB       ARG  32  -7.204  -9.547   4.821
  242   2HB   ARG  32          1HB       ARG  32  -8.769 -10.361   4.866
  243   1HG   ARG  32          2HG       ARG  32  -7.761 -12.132   5.822
  244   2HG   ARG  32          1HG       ARG  32  -6.863 -12.374   4.324
  245   1HD   ARG  32          2HD       ARG  32  -5.183 -12.146   6.011
  246   2HD   ARG  32          1HD       ARG  32  -5.248 -10.551   5.235
  247    HE   ARG  32           HE       ARG  32  -7.177 -10.440   7.249
  248   1HH1  ARG  32          2HH1      ARG  32  -4.513 -12.220   7.949
  249   2HH1  ARG  32          1HH1      ARG  32  -3.828 -11.135   9.111
  250   1HH2  ARG  32          1HH2      ARG  32  -5.997  -8.536   8.356
  251   2HH2  ARG  32          2HH2      ARG  32  -4.669  -9.050   9.343
  252    H    GLU  33           H        GLU  33  -7.696 -12.781   1.789
  253    HA   GLU  33           HA       GLU  33 -10.678 -12.882   1.482
  254   1HB   GLU  33          2HB       GLU  33  -8.564 -13.038  -0.351
  255   2HB   GLU  33          1HB       GLU  33  -9.107 -14.707  -0.161
  256   1HG   GLU  33          2HG       GLU  33 -11.500 -13.720  -0.422
  257   2HG   GLU  33          1HG       GLU  33 -10.678 -12.313  -1.097
  258    H    ALA  34           H        ALA  34 -11.465 -15.263   1.360
  259    HA   ALA  34           HA       ALA  34 -10.651 -16.634   3.802
  260   1HB   ALA  34          1HB       ALA  34 -12.387 -18.294   2.855
  261   2HB   ALA  34          2HB       ALA  34 -12.591 -17.138   1.537
  262   3HB   ALA  34          3HB       ALA  34 -12.955 -16.660   3.195
  263    H    ARG  35           H        ARG  35  -9.669 -16.758   0.494
  264    HA   ARG  35           HA       ARG  35  -8.336 -19.407   0.967
  265   1HB   ARG  35          2HB       ARG  35  -9.729 -18.112  -1.329
  266   2HB   ARG  35          1HB       ARG  35  -8.335 -19.123  -1.714
  267   1HG   ARG  35          2HG       ARG  35  -9.454 -20.849  -0.102
  268   2HG   ARG  35          1HG       ARG  35 -10.916 -19.902  -0.378
  269   1HD   ARG  35          2HD       ARG  35  -9.815 -20.244  -2.938
  270   2HD   ARG  35          1HD       ARG  35  -9.639 -21.823  -2.147
  271    HE   ARG  35           HE       ARG  35 -12.108 -21.532  -1.494
  272   1HH1  ARG  35          2HH1      ARG  35 -10.684 -20.884  -4.506
  273   2HH1  ARG  35          1HH1      ARG  35 -12.150 -20.358  -5.263
  274   1HH2  ARG  35          1HH2      ARG  35 -14.013 -20.471  -2.342
  275   2HH2  ARG  35          2HH2      ARG  35 -14.034 -20.124  -4.038
  276    H    GLY  36           H        GLY  36  -7.798 -16.081   0.638
  277   1HA   GLY  36          2HA       GLY  36  -4.979 -16.257   0.796
  278   2HA   GLY  36          1HA       GLY  36  -5.389 -16.032  -0.905
  279    H    THR  37           H        THR  37  -4.104 -13.957  -0.373
  280    HA   THR  37           HA       THR  37  -6.081 -11.814   0.216
  281    HB   THR  37           HB       THR  37  -5.075 -12.270   2.362
  282    HG1  THR  37           HG1      THR  37  -4.187 -10.297   2.742
  283   1HG2  THR  37          1HG2      THR  37  -3.146 -13.472   2.163
  284   2HG2  THR  37          2HG2      THR  37  -2.392 -11.880   2.255
  285   3HG2  THR  37          3HG2      THR  37  -2.661 -12.639   0.686
  286    H    ARG  38           H        ARG  38  -5.506  -9.810  -0.784
  287    HA   ARG  38           HA       ARG  38  -3.118  -9.934  -2.599
  288   1HB   ARG  38          2HB       ARG  38  -5.809  -9.931  -3.252
  289   2HB   ARG  38          1HB       ARG  38  -5.373  -8.228  -3.402
  290   1HG   ARG  38          2HG       ARG  38  -3.455  -8.868  -4.845
  291   2HG   ARG  38          1HG       ARG  38  -3.962 -10.554  -4.741
  292   1HD   ARG  38          2HD       ARG  38  -5.873 -10.200  -6.045
  293   2HD   ARG  38          1HD       ARG  38  -5.932  -8.468  -5.660
  294    HE   ARG  38           HE       ARG  38  -3.588  -8.532  -6.945
  295   1HH1  ARG  38          2HH1      ARG  38  -3.993 -11.193  -8.123
  296   2HH1  ARG  38          1HH1      ARG  38  -4.816 -10.846  -9.607
  297   1HH2  ARG  38          1HH2      ARG  38  -5.742  -7.644  -8.656
  298   2HH2  ARG  38          2HH2      ARG  38  -5.804  -8.837  -9.909
  299    H    ILE  39           H        ILE  39  -1.928  -7.982  -2.795
  300    HA   ILE  39           HA       ILE  39  -2.637  -5.865  -0.794
  301    HB   ILE  39           HB       ILE  39  -0.069  -7.012  -1.886
  302   1HG1  ILE  39          2HG1      ILE  39  -0.298  -6.348   0.956
  303   2HG1  ILE  39          1HG1      ILE  39  -1.573  -7.440   0.415
  304   1HG2  ILE  39          1HG2      ILE  39   0.947  -5.117  -0.361
  305   2HG2  ILE  39          2HG2      ILE  39  -0.564  -4.285  -0.730
  306   3HG2  ILE  39          3HG2      ILE  39   0.523  -4.760  -2.035
  307   1HD1  ILE  39          1HD1      ILE  39  -0.105  -9.142  -0.066
  308   2HD1  ILE  39          2HD1      ILE  39   0.848  -8.332   1.178
  309   3HD1  ILE  39          3HD1      ILE  39   1.188  -8.036  -0.527
  310    H    GLU  40           H        GLU  40  -3.178  -3.895  -1.634
  311    HA   GLU  40           HA       GLU  40  -2.674  -3.393  -4.531
  312   1HB   GLU  40          2HB       GLU  40  -4.895  -3.172  -2.919
  313   2HB   GLU  40          1HB       GLU  40  -4.302  -1.511  -2.946
  314   1HG   GLU  40          2HG       GLU  40  -5.400  -1.345  -4.923
  315   2HG   GLU  40          1HG       GLU  40  -4.048  -2.263  -5.585
  316    H    ARG  41           H        ARG  41  -1.779  -1.327  -5.176
  317    HA   ARG  41           HA       ARG  41  -0.229   0.060  -3.010
  318   1HB   ARG  41          2HB       ARG  41   0.598  -0.171  -5.907
  319   2HB   ARG  41          1HB       ARG  41   1.613   0.149  -4.501
  320   1HG   ARG  41          2HG       ARG  41   2.083  -2.101  -4.875
  321   2HG   ARG  41          1HG       ARG  41   0.752  -2.227  -3.725
  322   1HD   ARG  41          2HD       ARG  41  -0.685  -3.080  -5.292
  323   2HD   ARG  41          1HD       ARG  41  -0.052  -2.035  -6.578
  324    HE   ARG  41           HE       ARG  41   1.759  -4.160  -5.603
  325   1HH1  ARG  41          2HH1      ARG  41  -0.995  -4.037  -7.501
  326   2HH1  ARG  41          1HH1      ARG  41  -0.253  -4.660  -8.936
  327   1HH2  ARG  41          1HH2      ARG  41   2.965  -4.517  -7.654
  328   2HH2  ARG  41          2HH2      ARG  41   1.989  -4.932  -9.024
  329    H    GLY  42           H        GLY  42   0.564   2.311  -4.083
  330   1HA   GLY  42          2HA       GLY  42  -0.394   3.923  -5.900
  331   2HA   GLY  42          1HA       GLY  42  -1.927   3.609  -5.086
  332    H    CYS  43           H        CYS  43  -0.798   6.206  -5.271
  333    HA   CYS  43           HA       CYS  43   0.063   6.715  -2.443
  334   1HB   CYS  43          2HB       CYS  43   1.059   7.491  -5.021
  335   2HB   CYS  43          1HB       CYS  43   0.528   8.940  -4.167
  336    H    ALA  44           H        ALA  44  -1.465   7.745  -1.213
  337    HA   ALA  44           HA       ALA  44  -3.344   9.648  -2.542
  338   1HB   ALA  44          1HB       ALA  44  -4.124   7.408  -0.646
  339   2HB   ALA  44          2HB       ALA  44  -4.344   7.359  -2.396
  340   3HB   ALA  44          3HB       ALA  44  -5.225   8.542  -1.430
  341    H    ALA  45           H        ALA  45  -4.877  10.329  -0.384
  342    HA   ALA  45           HA       ALA  45  -2.862  11.336   1.595
  343   1HB   ALA  45          1HB       ALA  45  -4.546  12.686  -0.122
  344   2HB   ALA  45          2HB       ALA  45  -3.861  13.371   1.352
  345   3HB   ALA  45          3HB       ALA  45  -5.480  12.672   1.374
  346    H    THR  46           H        THR  46  -5.994   9.790   1.152
  347    HA   THR  46           HA       THR  46  -6.034   9.197   4.086
  348    HB   THR  46           HB       THR  46  -8.647   9.429   3.586
  349    HG1  THR  46           HG1      THR  46  -9.069  10.528   1.852
  350   1HG2  THR  46          1HG2      THR  46  -7.598  10.717   5.304
  351   2HG2  THR  46          2HG2      THR  46  -8.407  11.879   4.252
  352   3HG2  THR  46          3HG2      THR  46  -6.664  11.644   4.130
  353    H    CYS  47           H        CYS  47  -5.986   7.018   4.279
  354    HA   CYS  47           HA       CYS  47  -7.429   5.367   2.235
  355   1HB   CYS  47          2HB       CYS  47  -5.555   3.691   2.810
  356   2HB   CYS  47          1HB       CYS  47  -5.100   5.091   1.845
  357    HA   PRO  48           HA       PRO  48  -8.595   4.393   6.709
  358   1HB   PRO  48          2HB       PRO  48 -11.075   5.543   6.773
  359   2HB   PRO  48          1HB       PRO  48  -9.600   6.409   7.245
  360   1HG   PRO  48          2HG       PRO  48 -11.159   6.562   4.721
  361   2HG   PRO  48          1HG       PRO  48 -10.302   7.837   5.600
  362   1HD   PRO  48          2HD       PRO  48  -9.342   6.592   3.345
  363   2HD   PRO  48          1HD       PRO  48  -8.323   7.393   4.561
  364    H    LYS  49           H        LYS  49  -9.698   2.451   7.004
  365    HA   LYS  49           HA       LYS  49 -12.086   1.681   5.612
  366   1HB   LYS  49          2HB       LYS  49  -9.861   1.715   3.997
  367   2HB   LYS  49          1HB       LYS  49  -9.883   0.035   4.537
  368   1HG   LYS  49          2HG       LYS  49 -11.947  -0.396   3.555
  369   2HG   LYS  49          1HG       LYS  49 -12.440   1.297   3.603
  370   1HD   LYS  49          2HD       LYS  49 -10.333   1.552   1.969
  371   2HD   LYS  49          1HD       LYS  49 -10.737  -0.127   1.608
  372   1HE   LYS  49          2HE       LYS  49 -12.681   0.445   0.539
  373   2HE   LYS  49          1HE       LYS  49 -13.048   1.738   1.697
  374   1HZ   LYS  49          1HZ       LYS  49 -10.803   1.899  -0.233
  375   2HZ   LYS  49          2HZ       LYS  49 -11.460   3.152   0.708
  376   3HZ   LYS  49          3HZ       LYS  49 -12.349   2.502  -0.584
  377    H    GLY  50           H        GLY  50 -11.490  -1.133   5.408
  378   1HA   GLY  50          2HA       GLY  50 -10.558  -2.905   6.875
  379   2HA   GLY  50          1HA       GLY  50 -10.764  -1.797   8.232
  380    H    SER  51           H        SER  51 -12.041  -4.515   7.028
  381    HA   SER  51           HA       SER  51 -14.652  -4.022   8.333
  382   1HB   SER  51          2HB       SER  51 -14.804  -3.323   5.913
  383   2HB   SER  51          1HB       SER  51 -14.415  -4.981   5.463
  384    HG   SER  51           HG       SER  51 -16.548  -4.305   7.201
  385    H    VAL  52           H        VAL  52 -15.929  -6.168   8.352
  386    HA   VAL  52           HA       VAL  52 -14.585  -8.244   9.595
  387    HB   VAL  52           HB       VAL  52 -17.045  -7.960   9.312
  388   1HG1  VAL  52          1HG1      VAL  52 -16.982  -7.403   6.894
  389   2HG1  VAL  52          2HG1      VAL  52 -18.100  -8.724   7.229
  390   3HG1  VAL  52          3HG1      VAL  52 -16.515  -9.065   6.536
  391   1HG2  VAL  52          1HG2      VAL  52 -16.969 -10.095  10.051
  392   2HG2  VAL  52          2HG2      VAL  52 -15.545 -10.450   9.073
  393   3HG2  VAL  52          3HG2      VAL  52 -17.156 -10.589   8.368
  394    H    TYR  53           H        TYR  53 -14.645  -7.522   6.161
  395    HA   TYR  53           HA       TYR  53 -13.759 -10.068   5.167
  396   1HB   TYR  53          2HB       TYR  53 -13.869  -7.221   4.269
  397   2HB   TYR  53          1HB       TYR  53 -12.843  -8.321   3.349
  398    HD1  TYR  53           HD1      TYR  53 -13.926 -10.634   2.714
  399    HD2  TYR  53           HD2      TYR  53 -16.157  -7.124   3.789
  400    HE1  TYR  53           HE1      TYR  53 -15.929 -11.563   1.586
  401    HE2  TYR  53           HE2      TYR  53 -18.160  -8.053   2.660
  402    HH   TYR  53           HH       TYR  53 -18.828  -9.650   1.122
  403    H    GLY  54           H        GLY  54 -11.929  -7.087   5.962
  404   1HA   GLY  54          2HA       GLY  54  -9.801  -7.535   7.291
  405   2HA   GLY  54          1HA       GLY  54  -9.464  -8.779   6.086
  406    H    LEU  55           H        LEU  55 -10.758  -5.496   5.609
  407    HA   LEU  55           HA       LEU  55  -8.876  -5.022   3.419
  408   1HB   LEU  55          2HB       LEU  55 -11.344  -3.976   4.502
  409   2HB   LEU  55          1HB       LEU  55 -10.217  -2.653   4.199
  410    HG   LEU  55           HG       LEU  55 -10.847  -4.813   2.171
  411   1HD1  LEU  55          1HD1      LEU  55 -12.675  -3.660   1.514
  412   2HD1  LEU  55          2HD1      LEU  55 -11.816  -2.122   1.592
  413   3HD1  LEU  55          3HD1      LEU  55 -12.561  -2.791   3.044
  414   1HD2  LEU  55          1HD2      LEU  55  -8.860  -2.754   2.365
  415   2HD2  LEU  55          2HD2      LEU  55  -9.969  -2.336   1.060
  416   3HD2  LEU  55          3HD2      LEU  55  -9.132  -3.888   1.042
  417    H    TYR  56           H        TYR  56  -6.790  -5.044   4.494
  418    HA   TYR  56           HA       TYR  56  -6.275  -3.203   6.724
  419   1HB   TYR  56          2HB       TYR  56  -5.175  -5.386   6.546
  420   2HB   TYR  56          1HB       TYR  56  -4.506  -4.944   4.975
  421    HD1  TYR  56           HD1      TYR  56  -4.836  -2.854   8.049
  422    HD2  TYR  56           HD2      TYR  56  -2.170  -4.855   5.342
  423    HE1  TYR  56           HE1      TYR  56  -2.899  -1.787   9.170
  424    HE2  TYR  56           HE2      TYR  56  -0.232  -3.789   6.462
  425    HH   TYR  56           HH       TYR  56   0.366  -2.751   8.506
  426    H    VAL  57           H        VAL  57  -6.111  -1.040   6.266
  427    HA   VAL  57           HA       VAL  57  -4.672  -0.236   3.760
  428    HB   VAL  57           HB       VAL  57  -6.187   1.822   4.017
  429   1HG1  VAL  57          1HG1      VAL  57  -6.597  -0.671   2.817
  430   2HG1  VAL  57          2HG1      VAL  57  -7.477   0.815   2.462
  431   3HG1  VAL  57          3HG1      VAL  57  -8.115  -0.326   3.646
  432   1HG2  VAL  57          1HG2      VAL  57  -7.981   1.768   5.518
  433   2HG2  VAL  57          2HG2      VAL  57  -6.694   1.026   6.469
  434   3HG2  VAL  57          3HG2      VAL  57  -7.909   0.014   5.689
  435    H    LEU  58           H        LEU  58  -3.028   1.287   4.031
  436    HA   LEU  58           HA       LEU  58  -2.795   2.817   6.543
  437   1HB   LEU  58          2HB       LEU  58  -1.873   0.345   6.696
  438   2HB   LEU  58          1HB       LEU  58  -0.504   1.016   5.807
  439    HG   LEU  58           HG       LEU  58  -0.417   2.850   7.575
  440   1HD1  LEU  58          1HD1      LEU  58  -1.627   2.618   9.580
  441   2HD1  LEU  58          2HD1      LEU  58  -1.990   0.919   9.271
  442   3HD1  LEU  58          3HD1      LEU  58  -2.813   2.179   8.350
  443   1HD2  LEU  58          1HD2      LEU  58   1.180   1.618   8.625
  444   2HD2  LEU  58          2HD2      LEU  58   0.739   0.353   7.478
  445   3HD2  LEU  58          3HD2      LEU  58   0.031   0.364   9.092
  446    H    CYS  59           H        CYS  59  -1.949   4.782   5.979
  447    HA   CYS  59           HA       CYS  59  -0.554   5.035   3.356
  448   1HB   CYS  59          2HB       CYS  59  -2.010   6.870   5.259
  449   2HB   CYS  59          1HB       CYS  59  -0.996   7.527   3.975
  450    H    CYS  60           H        CYS  60   1.656   5.219   3.382
  451    HA   CYS  60           HA       CYS  60   2.981   5.992   5.956
  452   1HB   CYS  60          2HB       CYS  60   3.323   3.763   4.564
  453   2HB   CYS  60          1HB       CYS  60   4.361   4.788   3.588
  454    H    THR  61           H        THR  61   4.939   7.369   5.735
  455    HA   THR  61           HA       THR  61   5.361   8.838   3.249
  456    HB   THR  61           HB       THR  61   3.346   9.905   4.161
  457    HG1  THR  61           HG1      THR  61   5.432  11.653   4.840
  458   1HG2  THR  61          1HG2      THR  61   4.677   9.402   6.638
  459   2HG2  THR  61          2HG2      THR  61   3.047  10.026   6.382
  460   3HG2  THR  61          3HG2      THR  61   4.408  11.140   6.505
  461    H    THR  62           H        THR  62   7.342   7.443   4.314
  462    HA   THR  62           HA       THR  62   9.238   9.453   5.264
  463    HB   THR  62           HB       THR  62   7.961   8.953   7.309
  464    HG1  THR  62           HG1      THR  62  10.292   7.504   7.724
  465   1HG2  THR  62          1HG2      THR  62   7.616   6.477   6.277
  466   2HG2  THR  62          2HG2      THR  62   7.418   6.840   7.992
  467   3HG2  THR  62          3HG2      THR  62   8.932   6.151   7.406
  468    H    ASP  63           H        ASP  63  10.295   8.570   3.315
  469    HA   ASP  63           HA       ASP  63  11.931   7.207   2.292
  470   1HB   ASP  63          2HB       ASP  63  12.510   7.460   4.945
  471   2HB   ASP  63          1HB       ASP  63  12.401   5.705   4.799
  472    H    ASP  64           H        ASP  64  12.007   5.195   1.257
  473    HA   ASP  64           HA       ASP  64  11.224   3.073   0.560
  474   1HB   ASP  64          2HB       ASP  64  11.544   3.117   3.383
  475   2HB   ASP  64          1HB       ASP  64  10.067   2.212   3.048
  476    H    CYS  65           H        CYS  65   8.768   3.746   3.114
  477    HA   CYS  65           HA       CYS  65   6.645   3.208   1.142
  478   1HB   CYS  65          2HB       CYS  65   5.260   3.272   3.210
  479   2HB   CYS  65          1HB       CYS  65   6.652   2.212   3.396
  480    H    ASN  66           HN       ASN  66   8.328   5.730   1.041
  481    HA   ASN  66           HA       ASN  66   7.224   8.070   1.974
  482   1HB   ASN  66          2HB       ASN  66   8.102   7.365  -0.844
  483   2HB   ASN  66          1HB       ASN  66   7.909   9.017  -0.255
  484   1HD2  ASN  66          1HD2      ASN  66   9.777   9.921   0.616
  485   2HD2  ASN  66          2HD2      ASN  66  11.090   9.040   1.233
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1  12.545  12.595  -2.470
    2   2H    MET   1          2H        MET   1  13.463  11.169  -2.348
    3   3H    MET   1          3H        MET   1  13.411  12.263  -1.049
    4    HA   MET   1           HA       MET   1  11.968  10.516  -0.430
    5   1HB   MET   1          2HB       MET   1  10.619  12.961  -1.602
    6   2HB   MET   1          1HB       MET   1   9.763  11.803  -0.583
    7   1HG   MET   1          2HG       MET   1  11.549  12.155   1.168
    8   2HG   MET   1          1HG       MET   1  12.178  13.469   0.172
    9   1HE   MET   1          1HE       MET   1  10.598  12.550   2.936
   10   2HE   MET   1          2HE       MET   1   8.919  12.368   2.437
   11   3HE   MET   1          3HE       MET   1   9.393  13.752   3.418
   12    H    LYS   2           H        LYS   2  11.551   8.582  -1.448
   13    HA   LYS   2           HA       LYS   2   9.774   8.638  -3.852
   14   1HB   LYS   2          2HB       LYS   2  12.168   6.813  -3.572
   15   2HB   LYS   2          1HB       LYS   2  11.243   7.173  -5.028
   16   1HG   LYS   2          2HG       LYS   2  12.109   9.405  -5.137
   17   2HG   LYS   2          1HG       LYS   2  12.811   9.280  -3.523
   18   1HD   LYS   2          2HD       LYS   2  14.111   7.240  -4.562
   19   2HD   LYS   2          1HD       LYS   2  13.743   8.038  -6.092
   20   1HE   LYS   2          2HE       LYS   2  14.903   9.650  -3.827
   21   2HE   LYS   2          1HE       LYS   2  15.968   8.673  -4.856
   22   1HZ   LYS   2          1HZ       LYS   2  14.003  10.707  -5.771
   23   2HZ   LYS   2          2HZ       LYS   2  14.886   9.687  -6.804
   24   3HZ   LYS   2          3HZ       LYS   2  15.693  10.836  -5.847
   25    H    CYS   3           H        CYS   3   8.583   6.613  -4.127
   26    HA   CYS   3           HA       CYS   3   8.512   4.915  -1.650
   27   1HB   CYS   3          2HB       CYS   3   6.632   6.606  -2.041
   28   2HB   CYS   3          1HB       CYS   3   6.178   5.636  -3.442
   29    H    LYS   4           H        LYS   4   9.047   2.825  -2.142
   30    HA   LYS   4           HA       LYS   4   9.144   1.868  -4.904
   31   1HB   LYS   4          2HB       LYS   4  10.843   1.164  -3.378
   32   2HB   LYS   4          1HB       LYS   4   9.655   0.710  -2.156
   33   1HG   LYS   4          2HG       LYS   4   8.952  -1.194  -3.385
   34   2HG   LYS   4          1HG       LYS   4   9.731  -0.628  -4.863
   35   1HD   LYS   4          2HD       LYS   4  11.355  -1.185  -2.386
   36   2HD   LYS   4          1HD       LYS   4  10.922  -2.487  -3.493
   37   1HE   LYS   4          2HE       LYS   4  11.866  -0.946  -5.361
   38   2HE   LYS   4          1HE       LYS   4  12.643  -0.064  -4.031
   39   1HZ   LYS   4          1HZ       LYS   4  13.952  -1.811  -3.503
   40   2HZ   LYS   4          2HZ       LYS   4  13.711  -2.234  -5.131
   41   3HZ   LYS   4          3HZ       LYS   4  12.781  -2.967  -3.912
   42    H    ILE   5           H        ILE   5   7.297   1.170  -5.918
   43    HA   ILE   5           HA       ILE   5   5.041   0.128  -4.278
   44    HB   ILE   5           HB       ILE   5   5.247   0.831  -7.223
   45   1HG1  ILE   5          2HG1      ILE   5   5.729   2.798  -5.882
   46   2HG1  ILE   5          1HG1      ILE   5   4.078   2.936  -6.488
   47   1HG2  ILE   5          1HG2      ILE   5   2.658   1.196  -6.538
   48   2HG2  ILE   5          2HG2      ILE   5   3.075  -0.105  -5.422
   49   3HG2  ILE   5          3HG2      ILE   5   3.275  -0.335  -7.160
   50   1HD1  ILE   5          1HD1      ILE   5   4.987   2.178  -3.708
   51   2HD1  ILE   5          2HD1      ILE   5   3.352   1.843  -4.278
   52   3HD1  ILE   5          3HD1      ILE   5   3.930   3.506  -4.185
   53    H    CYS   6           H        CYS   6   4.417  -2.000  -4.373
   54    HA   CYS   6           HA       CYS   6   5.234  -3.769  -6.572
   55   1HB   CYS   6          2HB       CYS   6   6.574  -5.226  -5.088
   56   2HB   CYS   6          1HB       CYS   6   7.251  -3.599  -5.132
   57    H    ASN   7           H        ASN   7   4.068  -5.815  -6.450
   58    HA   ASN   7           HA       ASN   7   2.269  -6.267  -4.148
   59   1HB   ASN   7          2HB       ASN   7   0.253  -5.993  -5.456
   60   2HB   ASN   7          1HB       ASN   7   1.231  -4.542  -5.686
   61   1HD2  ASN   7          1HD2      ASN   7  -0.765  -6.146  -7.506
   62   2HD2  ASN   7          2HD2      ASN   7   0.083  -6.277  -8.971
   63    H    PHE   8           H        PHE   8   0.488  -7.876  -5.913
   64    HA   PHE   8           HA       PHE   8   0.381 -10.030  -6.890
   65   1HB   PHE   8          2HB       PHE   8   2.759  -8.851  -7.786
   66   2HB   PHE   8          1HB       PHE   8   3.253 -10.435  -7.185
   67    HD1  PHE   8           HD1      PHE   8   2.086  -8.747 -10.012
   68    HD2  PHE   8           HD2      PHE   8   1.484 -12.388  -7.814
   69    HE1  PHE   8           HE1      PHE   8   1.138  -9.815 -12.040
   70    HE2  PHE   8           HE2      PHE   8   0.537 -13.456  -9.842
   71    HZ   PHE   8           HZ       PHE   8   0.364 -12.170 -11.955
   72    H    ASP   9           H        ASP   9   0.092 -10.098  -4.269
   73    HA   ASP   9           HA       ASP   9   0.382 -11.420  -2.336
   74   1HB   ASP   9          2HB       ASP   9   0.905 -12.972  -4.737
   75   2HB   ASP   9          1HB       ASP   9   1.807 -13.609  -3.362
   76    H    THR  10           H        THR  10   2.750  -9.658  -3.501
   77    HA   THR  10           HA       THR  10   4.548 -10.047  -1.306
   78    HB   THR  10           HB       THR  10   5.062 -12.153  -2.356
   79    HG1  THR  10           HG1      THR  10   7.115 -11.800  -2.204
   80   1HG2  THR  10          1HG2      THR  10   4.721 -10.552  -4.796
   81   2HG2  THR  10          2HG2      THR  10   4.476 -12.279  -4.542
   82   3HG2  THR  10          3HG2      THR  10   6.095 -11.656  -4.859
   83    H    CYS  11           H        CYS  11   6.856  -9.043  -2.033
   84    HA   CYS  11           HA       CYS  11   6.197  -6.550  -3.553
   85   1HB   CYS  11          2HB       CYS  11   6.882  -6.570  -1.076
   86   2HB   CYS  11          1HB       CYS  11   8.487  -7.039  -1.636
   87    H    ARG  12           H        ARG  12   6.846  -8.834  -5.069
   88    HA   ARG  12           HA       ARG  12   9.700  -8.916  -5.676
   89   1HB   ARG  12          2HB       ARG  12   7.140 -10.101  -6.687
   90   2HB   ARG  12          1HB       ARG  12   8.562 -10.182  -7.728
   91   1HG   ARG  12          2HG       ARG  12   9.240 -10.883  -4.993
   92   2HG   ARG  12          1HG       ARG  12   7.943 -11.910  -5.606
   93   1HD   ARG  12          2HD       ARG  12   9.888 -11.596  -7.692
   94   2HD   ARG  12          1HD       ARG  12  10.723 -12.096  -6.208
   95    HE   ARG  12           HE       ARG  12   9.408 -14.099  -6.173
   96   1HH1  ARG  12          2HH1      ARG  12   9.850 -13.667  -9.207
   97   2HH1  ARG  12          1HH1      ARG  12   8.262 -14.019  -9.804
   98   1HH2  ARG  12          1HH2      ARG  12   6.753 -13.787  -6.691
   99   2HH2  ARG  12          2HH2      ARG  12   6.509 -14.088  -8.378
  100    H    ALA  13           H        ALA  13   7.313  -6.659  -6.345
  101    HA   ALA  13           HA       ALA  13   8.198  -6.000  -9.085
  102   1HB   ALA  13          1HB       ALA  13   6.027  -5.355  -9.030
  103   2HB   ALA  13          2HB       ALA  13   6.551  -3.981  -8.056
  104   3HB   ALA  13          3HB       ALA  13   5.983  -5.453  -7.270
  105    H    GLY  14           H        GLY  14   8.563  -3.463  -9.352
  106   1HA   GLY  14          2HA       GLY  14  10.113  -2.310  -7.115
  107   2HA   GLY  14          1HA       GLY  14  11.003  -2.626  -8.605
  108    H    GLU  15           H        GLU  15   7.640  -1.518  -8.293
  109    HA   GLU  15           HA       GLU  15   8.154   0.643 -10.211
  110   1HB   GLU  15          2HB       GLU  15   5.906  -0.764  -8.939
  111   2HB   GLU  15          1HB       GLU  15   5.607   0.958  -9.173
  112   1HG   GLU  15          2HG       GLU  15   5.917   0.818 -11.510
  113   2HG   GLU  15          1HG       GLU  15   6.739  -0.738 -11.394
  114    H    LEU  16           H        LEU  16   9.824   1.578  -8.542
  115    HA   LEU  16           HA       LEU  16   8.618   2.997  -6.265
  116   1HB   LEU  16          2HB       LEU  16  10.790   2.019  -5.978
  117   2HB   LEU  16          1HB       LEU  16  11.390   2.773  -7.456
  118    HG   LEU  16           HG       LEU  16  10.296   4.621  -5.407
  119   1HD1  LEU  16          1HD1      LEU  16  13.075   3.513  -5.031
  120   2HD1  LEU  16          2HD1      LEU  16  11.692   2.782  -4.216
  121   3HD1  LEU  16          3HD1      LEU  16  12.108   4.467  -3.906
  122   1HD2  LEU  16          1HD2      LEU  16  12.984   5.056  -6.478
  123   2HD2  LEU  16          2HD2      LEU  16  11.559   6.091  -6.579
  124   3HD2  LEU  16          3HD2      LEU  16  11.791   4.792  -7.751
  125    H    LYS  17           H        LYS  17   8.274   5.219  -6.161
  126    HA   LYS  17           HA       LYS  17   9.131   6.947  -8.409
  127   1HB   LYS  17          2HB       LYS  17   6.232   6.584  -7.578
  128   2HB   LYS  17          1HB       LYS  17   6.826   7.598  -8.893
  129   1HG   LYS  17          2HG       LYS  17   7.764   5.540  -9.980
  130   2HG   LYS  17          1HG       LYS  17   6.988   4.577  -8.723
  131   1HD   LYS  17          2HD       LYS  17   4.832   5.090  -9.474
  132   2HD   LYS  17          1HD       LYS  17   5.364   6.554 -10.301
  133   1HE   LYS  17          2HE       LYS  17   5.836   5.415 -12.215
  134   2HE   LYS  17          1HE       LYS  17   6.648   4.110 -11.327
  135   1HZ   LYS  17          1HZ       LYS  17   3.744   4.494 -11.762
  136   2HZ   LYS  17          2HZ       LYS  17   4.341   3.486 -10.531
  137   3HZ   LYS  17          3HZ       LYS  17   4.692   3.145 -12.158
  138    H    VAL  18           H        VAL  18   6.850   8.776  -7.333
  139    HA   VAL  18           HA       VAL  18   8.272   9.628  -4.834
  140    HB   VAL  18           HB       VAL  18   7.542  11.942  -5.671
  141   1HG1  VAL  18          1HG1      VAL  18   9.505  10.200  -7.178
  142   2HG1  VAL  18          2HG1      VAL  18   9.848  11.330  -5.868
  143   3HG1  VAL  18          3HG1      VAL  18   9.373  11.938  -7.454
  144   1HG2  VAL  18          1HG2      VAL  18   6.049  10.462  -7.442
  145   2HG2  VAL  18          2HG2      VAL  18   7.450  10.888  -8.425
  146   3HG2  VAL  18          3HG2      VAL  18   6.481  12.156  -7.675
  147    H    CYS  19           H        CYS  19   6.926  10.419  -3.143
  148    HA   CYS  19           HA       CYS  19   3.975  10.357  -3.584
  149   1HB   CYS  19          2HB       CYS  19   5.041   8.134  -2.771
  150   2HB   CYS  19          1HB       CYS  19   5.289   8.976  -1.240
  151    H    ALA  20           H        ALA  20   6.129  10.557  -0.728
  152    HA   ALA  20           HA       ALA  20   4.636  12.627   0.558
  153   1HB   ALA  20          1HB       ALA  20   7.235  12.798   1.500
  154   2HB   ALA  20          2HB       ALA  20   7.166  11.162   0.843
  155   3HB   ALA  20          3HB       ALA  20   6.018  11.662   2.085
  156    H    SER  21           H        SER  21   4.375  14.117  -1.363
  157    HA   SER  21           HA       SER  21   6.587  16.109  -1.398
  158   1HB   SER  21          2HB       SER  21   5.309  15.005  -3.912
  159   2HB   SER  21          1HB       SER  21   6.716  16.058  -3.802
  160    HG   SER  21           HG       SER  21   7.705  14.290  -2.590
  161    H    GLY  22           H        GLY  22   3.499  15.643  -0.714
  162   1HA   GLY  22          2HA       GLY  22   2.609  18.255  -0.715
  163   2HA   GLY  22          1HA       GLY  22   2.192  17.687  -2.333
  164    H    GLU  23           H        GLU  23   1.910  16.608   1.070
  165    HA   GLU  23           HA       GLU  23   0.113  15.538   2.168
  166   1HB   GLU  23          2HB       GLU  23  -1.010  17.317   0.063
  167   2HB   GLU  23          1HB       GLU  23  -2.123  16.145   0.770
  168   1HG   GLU  23          2HG       GLU  23  -1.602  16.954   3.018
  169   2HG   GLU  23          1HG       GLU  23  -0.407  18.074   2.361
  170    H    LYS  24           H        LYS  24   1.498  13.716   0.749
  171    HA   LYS  24           HA       LYS  24  -0.630  11.959  -0.367
  172   1HB   LYS  24          2HB       LYS  24   1.680  13.201  -1.781
  173   2HB   LYS  24          1HB       LYS  24   1.345  11.511  -2.158
  174   1HG   LYS  24          2HG       LYS  24  -1.088  12.209  -2.498
  175   2HG   LYS  24          1HG       LYS  24  -0.516  13.876  -2.448
  176   1HD   LYS  24          2HD       LYS  24  -0.109  13.665  -4.660
  177   2HD   LYS  24          1HD       LYS  24   1.247  12.634  -4.205
  178   1HE   LYS  24          2HE       LYS  24   0.163  10.716  -4.835
  179   2HE   LYS  24          1HE       LYS  24  -1.408  11.299  -4.251
  180   1HZ   LYS  24          1HZ       LYS  24  -1.206  11.206  -6.725
  181   2HZ   LYS  24          2HZ       LYS  24  -0.020  12.419  -6.625
  182   3HZ   LYS  24          3HZ       LYS  24  -1.610  12.737  -6.115
  183    H    TYR  25           H        TYR  25  -0.370  10.437   1.307
  184    HA   TYR  25           HA       TYR  25   2.380   9.461   1.916
  185   1HB   TYR  25          2HB       TYR  25  -0.186   8.623   3.266
  186   2HB   TYR  25          1HB       TYR  25   1.435   8.719   3.948
  187    HD1  TYR  25           HD1      TYR  25  -1.379  10.037   4.772
  188    HD2  TYR  25           HD2      TYR  25   2.206  11.443   2.868
  189    HE1  TYR  25           HE1      TYR  25  -1.856  12.337   5.569
  190    HE2  TYR  25           HE2      TYR  25   1.729  13.743   3.665
  191    HH   TYR  25           HH       TYR  25  -0.917  14.899   4.459
  192    H    CYS  26           H        CYS  26   2.968   7.308   1.511
  193    HA   CYS  26           HA       CYS  26   1.495   5.846  -0.522
  194   1HB   CYS  26          2HB       CYS  26   4.042   5.799   0.877
  195   2HB   CYS  26          1HB       CYS  26   3.388   4.171   0.723
  196    H    PHE  27           H        PHE  27  -0.338   4.680  -0.035
  197    HA   PHE  27           HA       PHE  27  -0.603   3.551   2.725
  198   1HB   PHE  27          2HB       PHE  27  -2.991   3.698   2.303
  199   2HB   PHE  27          1HB       PHE  27  -2.254   5.235   1.849
  200    HD1  PHE  27           HD1      PHE  27  -1.890   5.802  -0.539
  201    HD2  PHE  27           HD2      PHE  27  -3.951   2.225   0.648
  202    HE1  PHE  27           HE1      PHE  27  -2.776   5.549  -2.841
  203    HE2  PHE  27           HE2      PHE  27  -4.838   1.972  -1.655
  204    HZ   PHE  27           HZ       PHE  27  -4.250   3.635  -3.399
  205    H    LYS  28           H        LYS  28  -0.248   1.384   2.856
  206    HA   LYS  28           HA       LYS  28  -0.463  -0.304   0.420
  207   1HB   LYS  28          2HB       LYS  28   1.536  -0.383   1.886
  208   2HB   LYS  28          1HB       LYS  28   0.513  -0.854   3.245
  209   1HG   LYS  28          2HG       LYS  28  -0.136  -2.907   2.096
  210   2HG   LYS  28          1HG       LYS  28   0.777  -2.426   0.666
  211   1HD   LYS  28          2HD       LYS  28   2.684  -3.240   1.541
  212   2HD   LYS  28          1HD       LYS  28   2.463  -2.289   3.010
  213   1HE   LYS  28          2HE       LYS  28   1.230  -4.009   4.080
  214   2HE   LYS  28          1HE       LYS  28   0.917  -4.850   2.549
  215   1HZ   LYS  28          1HZ       LYS  28   2.709  -5.993   3.525
  216   2HZ   LYS  28          2HZ       LYS  28   3.497  -4.558   3.976
  217   3HZ   LYS  28          3HZ       LYS  28   3.415  -5.008   2.340
  218    H    GLU  29           H        GLU  29  -2.413  -1.307   0.065
  219    HA   GLU  29           HA       GLU  29  -4.146  -1.897   2.438
  220   1HB   GLU  29          2HB       GLU  29  -4.977  -0.286   0.737
  221   2HB   GLU  29          1HB       GLU  29  -4.818  -1.534  -0.499
  222   1HG   GLU  29          2HG       GLU  29  -6.461  -2.927   0.608
  223   2HG   GLU  29          1HG       GLU  29  -6.532  -1.823   1.983
  224    H    SER  30           H        SER  30  -3.735  -4.030   2.986
  225    HA   SER  30           HA       SER  30  -3.467  -6.048   0.801
  226   1HB   SER  30          2HB       SER  30  -1.750  -5.907   2.587
  227   2HB   SER  30          1HB       SER  30  -2.997  -6.177   3.801
  228    HG   SER  30           HG       SER  30  -2.152  -8.155   3.377
  229    H    TRP  31           H        TRP  31  -5.618  -6.455   0.202
  230    HA   TRP  31           HA       TRP  31  -7.737  -6.803   2.188
  231   1HB   TRP  31          2HB       TRP  31  -8.470  -5.926   0.158
  232   2HB   TRP  31          1HB       TRP  31  -7.374  -6.931  -0.786
  233    HD1  TRP  31           HD1      TRP  31 -10.291  -7.692   1.664
  234    HE1  TRP  31           HE1      TRP  31 -11.777  -9.499   0.578
  235    HE3  TRP  31           HE3      TRP  31  -7.774  -8.376  -2.721
  236    HZ2  TRP  31           HZ2      TRP  31 -11.882 -11.033  -1.838
  237    HZ3  TRP  31           HZ3      TRP  31  -8.585 -10.012  -4.398
  238    HH2  TRP  31           HH2      TRP  31 -10.634 -11.341  -3.962
  239    H    ARG  32           H        ARG  32  -8.703  -8.795   2.775
  240    HA   ARG  32           HA       ARG  32  -6.949 -11.153   2.609
  241   1HB   ARG  32          2HB       ARG  32  -8.697 -10.056   4.444
  242   2HB   ARG  32          1HB       ARG  32  -9.630 -11.405   3.795
  243   1HG   ARG  32          2HG       ARG  32  -8.368 -12.264   5.653
  244   2HG   ARG  32          1HG       ARG  32  -7.596 -12.868   4.186
  245   1HD   ARG  32          2HD       ARG  32  -5.659 -11.828   4.726
  246   2HD   ARG  32          1HD       ARG  32  -6.499 -10.277   4.909
  247    HE   ARG  32           HE       ARG  32  -6.721 -12.299   7.088
  248   1HH1  ARG  32          1HH2      ARG  32  -7.768  -9.471   7.300
  249   2HH1  ARG  32          2HH2      ARG  32  -6.519  -8.705   8.224
  250   1HH2  ARG  32          2HH1      ARG  32  -4.200 -11.223   7.671
  251   2HH2  ARG  32          1HH1      ARG  32  -4.500  -9.698   8.436
  252    H    GLU  33           H        GLU  33  -7.236 -12.804   1.159
  253    HA   GLU  33           HA       GLU  33  -9.799 -12.868  -0.402
  254   1HB   GLU  33          2HB       GLU  33  -7.454 -12.277  -1.423
  255   2HB   GLU  33          1HB       GLU  33  -7.169 -14.015  -1.315
  256   1HG   GLU  33          2HG       GLU  33  -8.917 -14.523  -2.805
  257   2HG   GLU  33          1HG       GLU  33  -9.690 -12.955  -2.575
  258    H    ALA  34           H        ALA  34 -10.801 -14.901  -0.649
  259    HA   ALA  34           HA       ALA  34 -10.455 -16.876   1.368
  260   1HB   ALA  34          1HB       ALA  34 -12.438 -17.417   0.438
  261   2HB   ALA  34          2HB       ALA  34 -11.604 -17.995  -1.004
  262   3HB   ALA  34          3HB       ALA  34 -12.108 -16.309  -0.894
  263    H    ARG  35           H        ARG  35  -8.709 -16.350  -1.578
  264    HA   ARG  35           HA       ARG  35  -7.594 -19.122  -1.518
  265   1HB   ARG  35          2HB       ARG  35  -7.941 -16.928  -3.520
  266   2HB   ARG  35          1HB       ARG  35  -6.584 -18.032  -3.745
  267   1HG   ARG  35          2HG       ARG  35  -8.055 -19.947  -3.777
  268   2HG   ARG  35          1HG       ARG  35  -9.438 -18.952  -3.315
  269   1HD   ARG  35          2HD       ARG  35  -9.818 -18.882  -5.579
  270   2HD   ARG  35          1HD       ARG  35  -8.555 -17.636  -5.561
  271    HE   ARG  35           HE       ARG  35  -7.085 -19.948  -5.655
  272   1HH1  ARG  35          1HH2      ARG  35 -10.063 -20.237  -7.027
  273   2HH1  ARG  35          2HH2      ARG  35  -9.523 -20.411  -8.664
  274   1HH2  ARG  35          2HH1      ARG  35  -6.245 -19.532  -7.954
  275   2HH2  ARG  35          1HH1      ARG  35  -7.361 -20.011  -9.188
  276    H    GLY  36           H        GLY  36  -6.819 -15.795  -0.856
  277   1HA   GLY  36          2HA       GLY  36  -4.371 -16.430   0.466
  278   2HA   GLY  36          1HA       GLY  36  -3.998 -15.831  -1.151
  279    H    THR  37           H        THR  37  -3.342 -13.744  -0.886
  280    HA   THR  37           HA       THR  37  -5.232 -11.856   0.433
  281    HB   THR  37           HB       THR  37  -2.855 -10.944   1.373
  282    HG1  THR  37           HG1      THR  37  -1.452 -12.513   1.622
  283   1HG2  THR  37          1HG2      THR  37  -3.960 -11.299   3.297
  284   2HG2  THR  37          2HG2      THR  37  -3.746 -13.043   3.137
  285   3HG2  THR  37          3HG2      THR  37  -5.140 -12.253   2.398
  286    H    ARG  38           H        ARG  38  -5.297  -9.896  -0.661
  287    HA   ARG  38           HA       ARG  38  -3.425  -9.579  -2.970
  288   1HB   ARG  38          2HB       ARG  38  -6.211  -9.400  -2.618
  289   2HB   ARG  38          1HB       ARG  38  -5.666  -7.735  -2.822
  290   1HG   ARG  38          2HG       ARG  38  -4.865 -10.000  -4.668
  291   2HG   ARG  38          1HG       ARG  38  -6.213  -8.907  -4.987
  292   1HD   ARG  38          2HD       ARG  38  -3.297  -8.110  -4.657
  293   2HD   ARG  38          1HD       ARG  38  -4.253  -8.045  -6.152
  294    HE   ARG  38           HE       ARG  38  -4.367  -6.099  -4.018
  295   1HH1  ARG  38          1HH2      ARG  38  -6.137  -7.755  -6.474
  296   2HH1  ARG  38          2HH2      ARG  38  -7.411  -6.584  -6.529
  297   1HH2  ARG  38          2HH1      ARG  38  -6.065  -4.607  -4.019
  298   2HH2  ARG  38          1HH1      ARG  38  -7.371  -4.803  -5.140
  299    H    ILE  39           H        ILE  39  -1.689  -8.317  -2.379
  300    HA   ILE  39           HA       ILE  39  -2.056  -6.120  -0.417
  301    HB   ILE  39           HB       ILE  39  -0.185  -7.847  -0.387
  302   1HG1  ILE  39          2HG1      ILE  39   0.530  -4.904  -0.596
  303   2HG1  ILE  39          1HG1      ILE  39   0.029  -5.762   0.863
  304   1HG2  ILE  39          1HG2      ILE  39   1.104  -6.195  -2.540
  305   2HG2  ILE  39          2HG2      ILE  39   0.043  -7.530  -2.990
  306   3HG2  ILE  39          3HG2      ILE  39   1.484  -7.836  -2.020
  307   1HD1  ILE  39          1HD1      ILE  39   2.231  -6.123   1.231
  308   2HD1  ILE  39          2HD1      ILE  39   2.662  -5.647  -0.410
  309   3HD1  ILE  39          3HD1      ILE  39   2.138  -7.297  -0.080
  310    H    GLU  40           H        GLU  40  -2.615  -4.143  -1.236
  311    HA   GLU  40           HA       GLU  40  -1.708  -3.437  -4.005
  312   1HB   GLU  40          2HB       GLU  40  -4.201  -3.635  -3.207
  313   2HB   GLU  40          1HB       GLU  40  -3.898  -2.068  -2.455
  314   1HG   GLU  40          2HG       GLU  40  -2.840  -2.000  -5.113
  315   2HG   GLU  40          1HG       GLU  40  -4.492  -2.614  -5.192
  316    H    ARG  41           H        ARG  41  -0.868  -1.285  -4.328
  317    HA   ARG  41           HA       ARG  41  -0.210   0.260  -1.852
  318   1HB   ARG  41          2HB       ARG  41   1.563  -1.420  -2.944
  319   2HB   ARG  41          1HB       ARG  41   1.828  -0.048  -4.020
  320   1HG   ARG  41          2HG       ARG  41   2.485   1.370  -2.247
  321   2HG   ARG  41          1HG       ARG  41   1.788   0.306  -1.025
  322   1HD   ARG  41          2HD       ARG  41   3.793  -1.081  -2.641
  323   2HD   ARG  41          1HD       ARG  41   4.466   0.329  -1.798
  324    HE   ARG  41           HE       ARG  41   2.858  -1.767  -0.383
  325   1HH1  ARG  41          2HH1      ARG  41   4.409   1.121   0.134
  326   2HH1  ARG  41          1HH1      ARG  41   5.463   0.555   1.388
  327   1HH2  ARG  41          1HH2      ARG  41   4.658  -2.785   0.921
  328   2HH2  ARG  41          2HH2      ARG  41   5.601  -1.657   1.835
  329    H    GLY  42           H        GLY  42   0.715   2.490  -2.545
  330   1HA   GLY  42          2HA       GLY  42   0.548   3.680  -5.027
  331   2HA   GLY  42          1HA       GLY  42  -1.128   3.668  -4.475
  332    H    CYS  43           H        CYS  43  -1.341   5.893  -4.119
  333    HA   CYS  43           HA       CYS  43   0.019   6.923  -1.695
  334   1HB   CYS  43          2HB       CYS  43   0.373   7.906  -4.518
  335   2HB   CYS  43          1HB       CYS  43   0.516   9.039  -3.173
  336    H    ALA  44           H        ALA  44  -1.571   7.911  -0.510
  337    HA   ALA  44           HA       ALA  44  -3.673   9.478  -1.936
  338   1HB   ALA  44          1HB       ALA  44  -4.403   7.567   0.272
  339   2HB   ALA  44          2HB       ALA  44  -4.211   6.965  -1.375
  340   3HB   ALA  44          3HB       ALA  44  -5.417   8.202  -1.023
  341    H    ALA  45           H        ALA  45  -5.151  10.473  -0.030
  342    HA   ALA  45           HA       ALA  45  -3.284  11.464   2.102
  343   1HB   ALA  45          1HB       ALA  45  -5.573  13.111   1.130
  344   2HB   ALA  45          2HB       ALA  45  -4.222  12.890   0.018
  345   3HB   ALA  45          3HB       ALA  45  -3.950  13.616   1.603
  346    H    THR  46           H        THR  46  -6.090   9.719   1.494
  347    HA   THR  46           HA       THR  46  -7.391  10.543   4.058
  348    HB   THR  46           HB       THR  46  -8.376   8.825   1.756
  349    HG1  THR  46           HG1      THR  46  -9.587  10.776   1.311
  350   1HG2  THR  46          1HG2      THR  46  -9.589   8.355   3.798
  351   2HG2  THR  46          2HG2      THR  46 -10.612   9.359   2.769
  352   3HG2  THR  46          3HG2      THR  46  -9.764  10.077   4.139
  353    H    CYS  47           H        CYS  47  -6.170   7.713   2.276
  354    HA   CYS  47           HA       CYS  47  -5.804   5.485   3.017
  355   1HB   CYS  47          2HB       CYS  47  -4.111   7.255   4.047
  356   2HB   CYS  47          1HB       CYS  47  -4.879   6.773   5.558
  357    HA   PRO  48           HA       PRO  48  -9.563   5.371   5.684
  358   1HB   PRO  48          2HB       PRO  48 -10.814   3.401   4.255
  359   2HB   PRO  48          1HB       PRO  48 -10.943   5.122   3.846
  360   1HG   PRO  48          2HG       PRO  48  -9.257   3.004   2.614
  361   2HG   PRO  48          1HG       PRO  48 -10.109   4.356   1.852
  362   1HD   PRO  48          2HD       PRO  48  -7.422   4.343   2.353
  363   2HD   PRO  48          1HD       PRO  48  -8.401   5.822   2.244
  364    H    LYS  49           H        LYS  49 -10.543   3.245   6.692
  365    HA   LYS  49           HA       LYS  49  -8.256   1.553   7.542
  366   1HB   LYS  49          2HB       LYS  49 -11.118   1.617   8.539
  367   2HB   LYS  49          1HB       LYS  49  -9.696   1.028   9.401
  368   1HG   LYS  49          2HG       LYS  49  -9.293   3.087  10.203
  369   2HG   LYS  49          1HG       LYS  49  -9.212   3.732   8.562
  370   1HD   LYS  49          2HD       LYS  49 -11.121   4.846   8.995
  371   2HD   LYS  49          1HD       LYS  49 -11.943   3.286   9.031
  372   1HE   LYS  49          2HE       LYS  49 -11.811   3.128  11.383
  373   2HE   LYS  49          1HE       LYS  49 -10.505   4.327  11.478
  374   1HZ   LYS  49          1HZ       LYS  49 -12.870   5.115  11.997
  375   2HZ   LYS  49          2HZ       LYS  49 -13.136   5.014  10.322
  376   3HZ   LYS  49          3HZ       LYS  49 -11.941   6.056  10.933
  377    H    GLY  50           H        GLY  50  -9.913  -0.693   8.310
  378   1HA   GLY  50          2HA       GLY  50 -10.251  -1.933   5.628
  379   2HA   GLY  50          1HA       GLY  50 -10.063  -2.814   7.146
  380    H    SER  51           H        SER  51 -12.030  -3.989   6.330
  381    HA   SER  51           HA       SER  51 -14.474  -2.666   7.386
  382   1HB   SER  51          2HB       SER  51 -13.890  -3.456   4.556
  383   2HB   SER  51          1HB       SER  51 -15.537  -3.647   5.150
  384    HG   SER  51           HG       SER  51 -15.503  -1.597   4.468
  385    H    VAL  52           H        VAL  52 -16.351  -4.513   6.839
  386    HA   VAL  52           HA       VAL  52 -16.089  -6.605   8.620
  387    HB   VAL  52           HB       VAL  52 -17.442  -6.660   5.901
  388   1HG1  VAL  52          1HG1      VAL  52 -18.732  -7.970   8.192
  389   2HG1  VAL  52          2HG1      VAL  52 -17.194  -8.707   7.743
  390   3HG1  VAL  52          3HG1      VAL  52 -18.484  -8.566   6.549
  391   1HG2  VAL  52          1HG2      VAL  52 -18.060  -5.333   8.510
  392   2HG2  VAL  52          2HG2      VAL  52 -19.405  -6.004   7.587
  393   3HG2  VAL  52          3HG2      VAL  52 -18.370  -4.773   6.866
  394    H    TYR  53           H        TYR  53 -14.858  -6.498   5.295
  395    HA   TYR  53           HA       TYR  53 -14.164  -9.236   4.970
  396   1HB   TYR  53          2HB       TYR  53 -13.732  -6.676   3.727
  397   2HB   TYR  53          1HB       TYR  53 -12.212  -7.571   3.740
  398    HD1  TYR  53           HD1      TYR  53 -14.663  -6.887   1.584
  399    HD2  TYR  53           HD2      TYR  53 -13.015 -10.349   3.519
  400    HE1  TYR  53           HE1      TYR  53 -15.484  -8.314  -0.271
  401    HE2  TYR  53           HE2      TYR  53 -13.836 -11.776   1.664
  402    HH   TYR  53           HH       TYR  53 -14.773 -10.615  -1.270
  403    H    GLY  54           H        GLY  54 -11.737  -6.679   5.562
  404   1HA   GLY  54          2HA       GLY  54 -10.394  -6.896   7.717
  405   2HA   GLY  54          1HA       GLY  54 -10.307  -8.616   7.337
  406    H    LEU  55           H        LEU  55  -9.329  -5.405   6.186
  407    HA   LEU  55           HA       LEU  55  -7.178  -6.734   4.571
  408   1HB   LEU  55          2HB       LEU  55  -7.269  -4.475   3.353
  409   2HB   LEU  55          1HB       LEU  55  -8.686  -5.511   3.172
  410    HG   LEU  55           HG       LEU  55  -8.761  -3.714   5.516
  411   1HD1  LEU  55          1HD1      LEU  55  -8.156  -1.850   4.389
  412   2HD1  LEU  55          2HD1      LEU  55  -9.657  -2.040   3.484
  413   3HD1  LEU  55          3HD1      LEU  55  -8.152  -2.697   2.842
  414   1HD2  LEU  55          1HD2      LEU  55 -11.085  -3.407   4.661
  415   2HD2  LEU  55          2HD2      LEU  55 -10.664  -5.109   4.856
  416   3HD2  LEU  55          3HD2      LEU  55 -10.669  -4.380   3.250
  417    H    TYR  56           H        TYR  56  -5.233  -5.098   4.332
  418    HA   TYR  56           HA       TYR  56  -4.633  -3.974   7.052
  419   1HB   TYR  56          2HB       TYR  56  -3.447  -6.063   5.763
  420   2HB   TYR  56          1HB       TYR  56  -2.443  -4.728   5.196
  421    HD1  TYR  56           HD1      TYR  56  -2.346  -7.175   7.498
  422    HD2  TYR  56           HD2      TYR  56  -2.296  -2.881   7.390
  423    HE1  TYR  56           HE1      TYR  56  -1.164  -7.134   9.677
  424    HE2  TYR  56           HE2      TYR  56  -1.114  -2.841   9.569
  425    HH   TYR  56           HH       TYR  56  -0.891  -5.520  11.588
  426    H    VAL  57           H        VAL  57  -4.714  -1.757   6.907
  427    HA   VAL  57           HA       VAL  57  -3.763  -0.460   4.380
  428    HB   VAL  57           HB       VAL  57  -5.616   0.403   6.619
  429   1HG1  VAL  57          1HG1      VAL  57  -4.095   1.975   4.697
  430   2HG1  VAL  57          2HG1      VAL  57  -5.080   2.521   6.053
  431   3HG1  VAL  57          3HG1      VAL  57  -5.830   2.204   4.490
  432   1HG2  VAL  57          1HG2      VAL  57  -7.198  -0.526   5.311
  433   2HG2  VAL  57          2HG2      VAL  57  -5.971  -0.993   4.134
  434   3HG2  VAL  57          3HG2      VAL  57  -6.753   0.583   4.015
  435    H    LEU  58           H        LEU  58  -1.680   0.266   4.582
  436    HA   LEU  58           HA       LEU  58  -0.846   1.442   7.217
  437   1HB   LEU  58          2HB       LEU  58   0.504  -0.362   5.219
  438   2HB   LEU  58          1HB       LEU  58   1.477   0.660   6.277
  439    HG   LEU  58           HG       LEU  58  -0.721  -0.986   7.478
  440   1HD1  LEU  58          1HD1      LEU  58   1.877  -2.312   7.531
  441   2HD1  LEU  58          2HD1      LEU  58   1.252  -2.161   5.889
  442   3HD1  LEU  58          3HD1      LEU  58   0.292  -2.973   7.126
  443   1HD2  LEU  58          1HD2      LEU  58   0.393  -0.557   9.435
  444   2HD2  LEU  58          2HD2      LEU  58   1.055   0.791   8.510
  445   3HD2  LEU  58          3HD2      LEU  58   1.980  -0.701   8.681
  446    H    CYS  59           H        CYS  59  -0.632   3.638   6.960
  447    HA   CYS  59           HA       CYS  59   0.105   4.699   4.266
  448   1HB   CYS  59          2HB       CYS  59  -0.629   6.569   6.445
  449   2HB   CYS  59          1HB       CYS  59  -1.207   6.504   4.787
  450    H    CYS  60           H        CYS  60   2.083   5.680   3.974
  451    HA   CYS  60           HA       CYS  60   3.664   6.435   6.398
  452   1HB   CYS  60          2HB       CYS  60   4.455   4.259   5.831
  453   2HB   CYS  60          1HB       CYS  60   4.396   4.606   4.104
  454    H    THR  61           H        THR  61   5.186   8.146   5.987
  455    HA   THR  61           HA       THR  61   5.404   9.277   3.289
  456    HB   THR  61           HB       THR  61   3.244  10.107   4.121
  457    HG1  THR  61           HG1      THR  61   4.135  12.450   4.375
  458   1HG2  THR  61          1HG2      THR  61   2.999  10.432   6.330
  459   2HG2  THR  61          2HG2      THR  61   4.041  11.850   6.199
  460   3HG2  THR  61          3HG2      THR  61   4.738  10.275   6.579
  461    H    THR  62           H        THR  62   7.703   8.931   3.689
  462    HA   THR  62           HA       THR  62   9.073  11.175   4.856
  463    HB   THR  62           HB       THR  62   8.127   9.896   6.857
  464    HG1  THR  62           HG1      THR  62  10.950   9.967   6.781
  465   1HG2  THR  62          1HG2      THR  62   8.571   7.638   5.887
  466   2HG2  THR  62          2HG2      THR  62   9.256   7.839   7.499
  467   3HG2  THR  62          3HG2      THR  62  10.298   7.932   6.079
  468    H    ASP  63           H        ASP  63   9.341   7.675   4.176
  469    HA   ASP  63           HA       ASP  63  11.395   8.033   2.184
  470   1HB   ASP  63          2HB       ASP  63  12.696   8.665   4.164
  471   2HB   ASP  63          1HB       ASP  63  12.228   7.169   4.974
  472    H    ASP  64           H        ASP  64  11.874   6.021   1.148
  473    HA   ASP  64           HA       ASP  64  11.490   3.751   0.569
  474   1HB   ASP  64          2HB       ASP  64  11.908   3.968   3.407
  475   2HB   ASP  64          1HB       ASP  64  10.724   2.696   3.100
  476    H    CYS  65           H        CYS  65   9.150   4.044   3.297
  477    HA   CYS  65           HA       CYS  65   7.006   3.138   1.454
  478   1HB   CYS  65          2HB       CYS  65   5.749   2.953   3.633
  479   2HB   CYS  65          1HB       CYS  65   7.235   2.009   3.596
  480    H    ASN  66           HN       ASN  66   8.320   6.010   1.896
  481    HA   ASN  66           HA       ASN  66   6.436   7.826   2.884
  482   1HB   ASN  66          2HB       ASN  66   7.631   9.429   1.549
  483   2HB   ASN  66          1HB       ASN  66   8.798   8.183   1.994
  484   1HD2  ASN  66          1HD2      ASN  66   8.696   9.982  -0.464
  485   2HD2  ASN  66          2HD2      ASN  66   8.744   8.912  -1.780
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1  14.297  11.147   0.084
    2   2H    MET   1          2H        MET   1  14.000  11.870  -1.424
    3   3H    MET   1          3H        MET   1  14.122  10.181  -1.299
    4    HA   MET   1           HA       MET   1  12.135  10.509   0.386
    5   1HB   MET   1          2HB       MET   1  12.667  13.063  -0.807
    6   2HB   MET   1          1HB       MET   1  11.077  12.521  -1.344
    7   1HG   MET   1          2HG       MET   1  10.795  11.882   1.214
    8   2HG   MET   1          1HG       MET   1  12.041  13.110   1.430
    9   1HE   MET   1          1HE       MET   1   8.987  12.855   2.389
   10   2HE   MET   1          2HE       MET   1   8.353  14.494   2.263
   11   3HE   MET   1          3HE       MET   1   9.942  14.224   2.974
   12    H    LYS   2           H        LYS   2  11.376   8.587  -0.501
   13    HA   LYS   2           HA       LYS   2   9.942   8.727  -3.066
   14   1HB   LYS   2          2HB       LYS   2  12.623   7.503  -2.688
   15   2HB   LYS   2          1HB       LYS   2  11.466   6.553  -3.622
   16   1HG   LYS   2          2HG       LYS   2  11.739   7.897  -5.405
   17   2HG   LYS   2          1HG       LYS   2  11.320   9.311  -4.437
   18   1HD   LYS   2          2HD       LYS   2  13.469   9.969  -4.373
   19   2HD   LYS   2          1HD       LYS   2  13.966   8.402  -3.734
   20   1HE   LYS   2          2HE       LYS   2  13.619   7.628  -6.256
   21   2HE   LYS   2          1HE       LYS   2  13.907   9.349  -6.579
   22   1HZ   LYS   2          1HZ       LYS   2  15.736   7.348  -5.624
   23   2HZ   LYS   2          2HZ       LYS   2  15.730   8.744  -4.656
   24   3HZ   LYS   2          3HZ       LYS   2  16.059   8.860  -6.319
   25    H    CYS   3           H        CYS   3   9.464   6.098  -3.551
   26    HA   CYS   3           HA       CYS   3   8.798   4.750  -0.984
   27   1HB   CYS   3          2HB       CYS   3   7.031   6.490  -2.035
   28   2HB   CYS   3          1HB       CYS   3   6.590   5.060  -2.966
   29    H    LYS   4           H        LYS   4   9.004   2.549  -1.239
   30    HA   LYS   4           HA       LYS   4   9.706   1.439  -3.851
   31   1HB   LYS   4          2HB       LYS   4  10.006  -0.612  -2.500
   32   2HB   LYS   4          1HB       LYS   4  10.774   0.772  -1.724
   33   1HG   LYS   4          2HG       LYS   4   9.291   0.792   0.015
   34   2HG   LYS   4          1HG       LYS   4   7.936   0.296  -0.999
   35   1HD   LYS   4          2HD       LYS   4   8.182  -1.830  -0.311
   36   2HD   LYS   4          1HD       LYS   4   9.835  -1.846  -0.927
   37   1HE   LYS   4          2HE       LYS   4  10.728  -1.078   1.157
   38   2HE   LYS   4          1HE       LYS   4   9.116  -0.647   1.764
   39   1HZ   LYS   4          1HZ       LYS   4   8.495  -2.847   1.955
   40   2HZ   LYS   4          2HZ       LYS   4  10.128  -2.921   2.420
   41   3HZ   LYS   4          3HZ       LYS   4   9.665  -3.395   0.856
   42    H    ILE   5           H        ILE   5   8.460  -0.077  -5.045
   43    HA   ILE   5           HA       ILE   5   5.646  -0.517  -4.114
   44    HB   ILE   5           HB       ILE   5   6.730   0.564  -6.716
   45   1HG1  ILE   5          2HG1      ILE   5   4.254   1.693  -5.823
   46   2HG1  ILE   5          1HG1      ILE   5   5.349   1.606  -4.443
   47   1HG2  ILE   5          1HG2      ILE   5   4.210  -1.003  -6.231
   48   2HG2  ILE   5          2HG2      ILE   5   5.310  -1.066  -7.608
   49   3HG2  ILE   5          3HG2      ILE   5   4.212   0.300  -7.419
   50   1HD1  ILE   5          1HD1      ILE   5   7.008   2.904  -5.533
   51   2HD1  ILE   5          2HD1      ILE   5   5.489   3.719  -5.910
   52   3HD1  ILE   5          3HD1      ILE   5   6.256   2.683  -7.113
   53    H    CYS   6           H        CYS   6   4.973  -2.611  -4.366
   54    HA   CYS   6           HA       CYS   6   5.995  -4.396  -6.425
   55   1HB   CYS   6          2HB       CYS   6   7.230  -5.869  -4.876
   56   2HB   CYS   6          1HB       CYS   6   7.908  -4.241  -4.841
   57    H    ASN   7           H        ASN   7   4.187  -5.624  -6.833
   58    HA   ASN   7           HA       ASN   7   2.592  -6.623  -4.505
   59   1HB   ASN   7          2HB       ASN   7   1.844  -4.456  -5.901
   60   2HB   ASN   7          1HB       ASN   7   1.188  -5.693  -6.972
   61   1HD2  ASN   7          1HD2      ASN   7   0.814  -7.537  -4.545
   62   2HD2  ASN   7          2HD2      ASN   7  -0.588  -6.949  -3.790
   63    H    PHE   8           H        PHE   8   0.629  -7.466  -6.758
   64    HA   PHE   8           HA       PHE   8   0.280  -9.346  -8.143
   65   1HB   PHE   8          2HB       PHE   8   3.301  -9.489  -8.278
   66   2HB   PHE   8          1HB       PHE   8   2.137 -10.001  -9.498
   67    HD1  PHE   8           HD1      PHE   8   0.274  -7.833  -9.752
   68    HD2  PHE   8           HD2      PHE   8   4.515  -7.663  -9.090
   69    HE1  PHE   8           HE1      PHE   8   0.344  -5.576 -10.778
   70    HE2  PHE   8           HE2      PHE   8   4.584  -5.407 -10.115
   71    HZ   PHE   8           HZ       PHE   8   2.499  -4.362 -10.959
   72    H    ASP   9           H        ASP   9  -0.075  -9.981  -5.591
   73    HA   ASP   9           HA       ASP   9  -0.077 -11.827  -4.114
   74   1HB   ASP   9          2HB       ASP   9   0.350 -12.745  -6.721
   75   2HB   ASP   9          1HB       ASP   9   1.600 -13.546  -5.767
   76    H    THR  10           H        THR  10   2.537 -10.003  -4.791
   77    HA   THR  10           HA       THR  10   4.028 -10.740  -2.471
   78    HB   THR  10           HB       THR  10   4.481 -12.787  -3.725
   79    HG1  THR  10           HG1      THR  10   6.220 -11.596  -2.599
   80   1HG2  THR  10          1HG2      THR  10   4.127 -11.341  -5.956
   81   2HG2  THR  10          2HG2      THR  10   5.024 -12.859  -5.955
   82   3HG2  THR  10          3HG2      THR  10   5.890 -11.323  -5.900
   83    H    CYS  11           H        CYS  11   6.637 -10.260  -3.996
   84    HA   CYS  11           HA       CYS  11   6.233  -7.443  -4.883
   85   1HB   CYS  11          2HB       CYS  11   7.747  -8.492  -2.514
   86   2HB   CYS  11          1HB       CYS  11   8.359  -7.062  -3.344
   87    H    ARG  12           H        ARG  12   6.741  -9.176  -6.802
   88    HA   ARG  12           HA       ARG  12   9.561  -9.868  -7.123
   89   1HB   ARG  12          2HB       ARG  12   6.976 -10.159  -8.542
   90   2HB   ARG  12          1HB       ARG  12   8.400 -10.116  -9.582
   91   1HG   ARG  12          2HG       ARG  12   9.419 -11.948  -8.359
   92   2HG   ARG  12          1HG       ARG  12   8.115 -11.931  -7.172
   93   1HD   ARG  12          2HD       ARG  12   6.764 -13.177  -8.508
   94   2HD   ARG  12          1HD       ARG  12   7.127 -12.175  -9.928
   95    HE   ARG  12           HE       ARG  12   9.403 -13.448  -9.891
   96   1HH1  ARG  12          2HH1      ARG  12   6.566 -14.746 -10.686
   97   2HH1  ARG  12          1HH1      ARG  12   6.892 -16.371 -10.184
   98   1HH2  ARG  12          1HH2      ARG  12   9.759 -15.535  -8.424
   99   2HH2  ARG  12          2HH2      ARG  12   8.699 -16.818  -8.902
  100    H    ALA  13           H        ALA  13   7.734  -7.019  -7.576
  101    HA   ALA  13           HA       ALA  13   9.334  -5.967  -9.813
  102   1HB   ALA  13          1HB       ALA  13   7.104  -5.241  -9.804
  103   2HB   ALA  13          2HB       ALA  13   7.931  -3.876  -9.052
  104   3HB   ALA  13          3HB       ALA  13   7.075  -5.050  -8.050
  105    H    GLY  14           H        GLY  14   8.676  -4.619  -6.557
  106   1HA   GLY  14          2HA       GLY  14  10.123  -3.564  -5.035
  107   2HA   GLY  14          1HA       GLY  14  11.452  -4.413  -5.825
  108    H    GLU  15           H        GLU  15   9.156  -2.135  -7.301
  109    HA   GLU  15           HA       GLU  15  11.500  -0.484  -8.156
  110   1HB   GLU  15          2HB       GLU  15   9.775  -1.585  -9.738
  111   2HB   GLU  15          1HB       GLU  15   8.654  -0.351  -9.162
  112   1HG   GLU  15          2HG       GLU  15  10.351   1.393  -9.812
  113   2HG   GLU  15          1HG       GLU  15  11.305   0.107 -10.553
  114    H    LEU  16           H        LEU  16  11.772   1.480  -7.136
  115    HA   LEU  16           HA       LEU  16   9.622   2.457  -5.358
  116   1HB   LEU  16          2HB       LEU  16  12.432   3.467  -5.875
  117   2HB   LEU  16          1HB       LEU  16  11.395   3.923  -4.523
  118    HG   LEU  16           HG       LEU  16  11.490   1.081  -4.591
  119   1HD1  LEU  16          1HD1      LEU  16  14.281   2.039  -4.212
  120   2HD1  LEU  16          2HD1      LEU  16  13.719   1.902  -5.878
  121   3HD1  LEU  16          3HD1      LEU  16  13.697   0.490  -4.821
  122   1HD2  LEU  16          1HD2      LEU  16  12.705   3.180  -2.770
  123   2HD2  LEU  16          2HD2      LEU  16  12.627   1.464  -2.373
  124   3HD2  LEU  16          3HD2      LEU  16  11.141   2.391  -2.579
  125    H    LYS  17           H        LYS  17   9.322   4.917  -5.339
  126    HA   LYS  17           HA       LYS  17   9.650   6.308  -7.907
  127   1HB   LYS  17          2HB       LYS  17   7.388   4.668  -7.371
  128   2HB   LYS  17          1HB       LYS  17   6.841   6.340  -7.258
  129   1HG   LYS  17          2HG       LYS  17   8.396   6.481  -9.487
  130   2HG   LYS  17          1HG       LYS  17   7.800   4.825  -9.613
  131   1HD   LYS  17          2HD       LYS  17   5.588   5.487  -9.814
  132   2HD   LYS  17          1HD       LYS  17   5.849   6.990  -8.927
  133   1HE   LYS  17          2HE       LYS  17   6.147   8.105 -10.873
  134   2HE   LYS  17          1HE       LYS  17   7.466   7.004 -11.321
  135   1HZ   LYS  17          1HZ       LYS  17   5.814   5.374 -12.015
  136   2HZ   LYS  17          2HZ       LYS  17   5.632   6.819 -12.888
  137   3HZ   LYS  17          3HZ       LYS  17   4.562   6.448 -11.623
  138    H    VAL  18           H        VAL  18   7.509   8.177  -7.376
  139    HA   VAL  18           HA       VAL  18   8.221   9.258  -4.681
  140    HB   VAL  18           HB       VAL  18   8.133  10.911  -7.215
  141   1HG1  VAL  18          1HG1      VAL  18   7.943  11.874  -4.808
  142   2HG1  VAL  18          2HG1      VAL  18   9.122  12.601  -5.900
  143   3HG1  VAL  18          3HG1      VAL  18   9.650  11.456  -4.666
  144   1HG2  VAL  18          1HG2      VAL  18   9.939   9.525  -7.722
  145   2HG2  VAL  18          2HG2      VAL  18  10.338   9.256  -6.025
  146   3HG2  VAL  18          3HG2      VAL  18  10.741  10.792  -6.794
  147    H    CYS  19           H        CYS  19   6.488  10.254  -3.663
  148    HA   CYS  19           HA       CYS  19   4.145  11.196  -5.160
  149   1HB   CYS  19          2HB       CYS  19   4.395   8.480  -4.143
  150   2HB   CYS  19          1HB       CYS  19   3.018   9.306  -3.416
  151    H    ALA  20           H        ALA  20   5.861  12.521  -3.335
  152    HA   ALA  20           HA       ALA  20   3.915  13.217  -1.206
  153   1HB   ALA  20          1HB       ALA  20   6.739  12.761  -0.359
  154   2HB   ALA  20          2HB       ALA  20   5.756  11.332  -0.674
  155   3HB   ALA  20          3HB       ALA  20   5.246  12.504   0.541
  156    H    SER  21           H        SER  21   4.589  14.796  -3.399
  157    HA   SER  21           HA       SER  21   6.712  16.681  -2.522
  158   1HB   SER  21          2HB       SER  21   5.017  17.075  -4.951
  159   2HB   SER  21          1HB       SER  21   6.753  17.296  -4.752
  160    HG   SER  21           HG       SER  21   5.267  14.969  -5.237
  161    H    GLY  22           H        GLY  22   3.252  16.350  -2.540
  162   1HA   GLY  22          2HA       GLY  22   3.022  19.181  -1.597
  163   2HA   GLY  22          1HA       GLY  22   1.793  18.441  -2.625
  164    H    GLU  23           H        GLU  23   0.699  16.479  -1.710
  165    HA   GLU  23           HA       GLU  23   0.821  16.178   1.232
  166   1HB   GLU  23          2HB       GLU  23  -0.692  18.159   0.430
  167   2HB   GLU  23          1HB       GLU  23  -1.806  16.884  -0.066
  168   1HG   GLU  23          2HG       GLU  23  -1.259  15.997   2.407
  169   2HG   GLU  23          1HG       GLU  23  -0.979  17.719   2.673
  170    H    LYS  24           H        LYS  24   1.541  14.121  -0.237
  171    HA   LYS  24           HA       LYS  24  -0.864  12.339  -0.323
  172   1HB   LYS  24          2HB       LYS  24   1.160  13.014  -2.422
  173   2HB   LYS  24          1HB       LYS  24   0.533  11.365  -2.378
  174   1HG   LYS  24          2HG       LYS  24  -1.245  13.817  -2.392
  175   2HG   LYS  24          1HG       LYS  24  -0.778  12.948  -3.855
  176   1HD   LYS  24          2HD       LYS  24  -1.642  10.840  -2.548
  177   2HD   LYS  24          1HD       LYS  24  -2.520  12.030  -1.586
  178   1HE   LYS  24          2HE       LYS  24  -2.936  12.829  -4.249
  179   2HE   LYS  24          1HE       LYS  24  -3.120  11.063  -4.259
  180   1HZ   LYS  24          1HZ       LYS  24  -4.660  13.077  -2.818
  181   2HZ   LYS  24          2HZ       LYS  24  -4.327  11.637  -1.980
  182   3HZ   LYS  24          3HZ       LYS  24  -5.160  11.590  -3.461
  183    H    TYR  25           H        TYR  25  -0.476  10.675   1.070
  184    HA   TYR  25           HA       TYR  25   2.343   9.931   1.699
  185   1HB   TYR  25          2HB       TYR  25  -0.222   9.039   3.039
  186   2HB   TYR  25          1HB       TYR  25   1.402   9.055   3.720
  187    HD1  TYR  25           HD1      TYR  25   2.039  11.844   2.363
  188    HD2  TYR  25           HD2      TYR  25  -1.107  10.396   4.904
  189    HE1  TYR  25           HE1      TYR  25   1.666  14.144   3.212
  190    HE2  TYR  25           HE2      TYR  25  -1.480  12.695   5.754
  191    HH   TYR  25           HH       TYR  25  -0.932  15.193   4.596
  192    H    CYS  26           H        CYS  26   2.968   7.679   1.621
  193    HA   CYS  26           HA       CYS  26   1.842   6.165  -0.576
  194   1HB   CYS  26          2HB       CYS  26   4.118   6.164   1.179
  195   2HB   CYS  26          1HB       CYS  26   3.433   4.541   1.146
  196    H    PHE  27           H        PHE  27  -0.365   5.723  -0.076
  197    HA   PHE  27           HA       PHE  27  -1.065   4.422   2.472
  198   1HB   PHE  27          2HB       PHE  27  -2.627   5.990   1.633
  199   2HB   PHE  27          1HB       PHE  27  -2.498   5.367  -0.011
  200    HD1  PHE  27           HD1      PHE  27  -2.763   3.239   3.007
  201    HD2  PHE  27           HD2      PHE  27  -4.839   4.906  -0.364
  202    HE1  PHE  27           HE1      PHE  27  -4.674   1.715   3.430
  203    HE2  PHE  27           HE2      PHE  27  -6.750   3.383   0.059
  204    HZ   PHE  27           HZ       PHE  27  -6.667   1.787   1.956
  205    H    LYS  28           H        LYS  28  -1.146   2.231   2.738
  206    HA   LYS  28           HA       LYS  28  -1.197   0.507   0.280
  207   1HB   LYS  28          2HB       LYS  28   0.367   0.407   2.856
  208   2HB   LYS  28          1HB       LYS  28   0.100  -1.065   1.921
  209   1HG   LYS  28          2HG       LYS  28   1.079   0.031  -0.071
  210   2HG   LYS  28          1HG       LYS  28   1.377   1.483   0.886
  211   1HD   LYS  28          2HD       LYS  28   2.408  -0.997   2.101
  212   2HD   LYS  28          1HD       LYS  28   3.179  -0.562   0.575
  213   1HE   LYS  28          2HE       LYS  28   3.914   1.534   1.408
  214   2HE   LYS  28          1HE       LYS  28   2.788   1.476   2.779
  215   1HZ   LYS  28          1HZ       LYS  28   4.666   0.697   3.790
  216   2HZ   LYS  28          2HZ       LYS  28   5.293   0.007   2.369
  217   3HZ   LYS  28          3HZ       LYS  28   4.041  -0.771   3.214
  218    H    GLU  29           H        GLU  29  -2.877  -0.954   0.250
  219    HA   GLU  29           HA       GLU  29  -4.331  -1.454   2.828
  220   1HB   GLU  29          2HB       GLU  29  -5.507   0.040   1.238
  221   2HB   GLU  29          1HB       GLU  29  -5.399  -1.208  -0.003
  222   1HG   GLU  29          2HG       GLU  29  -6.729  -2.734   1.386
  223   2HG   GLU  29          1HG       GLU  29  -6.808  -1.522   2.664
  224    H    SER  30           H        SER  30  -4.060  -3.574   3.396
  225    HA   SER  30           HA       SER  30  -3.515  -5.600   1.287
  226   1HB   SER  30          2HB       SER  30  -2.165  -5.241   3.445
  227   2HB   SER  30          1HB       SER  30  -3.544  -5.928   4.297
  228    HG   SER  30           HG       SER  30  -3.235  -7.640   2.508
  229    H    TRP  31           H        TRP  31  -5.303  -6.616   0.477
  230    HA   TRP  31           HA       TRP  31  -7.751  -6.848   2.156
  231   1HB   TRP  31          2HB       TRP  31  -7.159  -6.275  -0.540
  232   2HB   TRP  31          1HB       TRP  31  -7.918  -7.867  -0.553
  233    HD1  TRP  31           HD1      TRP  31  -9.853  -7.427   1.942
  234    HE1  TRP  31           HE1      TRP  31 -11.916  -5.904   1.673
  235    HE3  TRP  31           HE3      TRP  31  -8.391  -4.673  -2.100
  236    HZ2  TRP  31           HZ2      TRP  31 -12.825  -3.794  -0.034
  237    HZ3  TRP  31           HZ3      TRP  31  -9.872  -2.916  -3.027
  238    HH2  TRP  31           HH2      TRP  31 -12.086  -2.473  -2.000
  239    H    ARG  32           H        ARG  32  -8.559  -8.852   2.782
  240    HA   ARG  32           HA       ARG  32  -6.865 -11.241   2.140
  241   1HB   ARG  32          2HB       ARG  32  -7.074 -10.339   4.515
  242   2HB   ARG  32          1HB       ARG  32  -8.773 -10.810   4.455
  243   1HG   ARG  32          2HG       ARG  32  -8.204 -13.126   4.138
  244   2HG   ARG  32          1HG       ARG  32  -6.501 -12.733   3.898
  245   1HD   ARG  32          2HD       ARG  32  -8.002 -12.157   6.476
  246   2HD   ARG  32          1HD       ARG  32  -7.001 -13.599   6.215
  247    HE   ARG  32           HE       ARG  32  -5.321 -11.569   5.447
  248   1HH1  ARG  32          2HH1      ARG  32  -6.215 -13.046   8.284
  249   2HH1  ARG  32          1HH1      ARG  32  -5.660 -11.790   9.339
  250   1HH2  ARG  32          1HH2      ARG  32  -5.063  -9.534   6.774
  251   2HH2  ARG  32          2HH2      ARG  32  -5.009  -9.801   8.485
  252    H    GLU  33           H        GLU  33  -7.873 -12.437   0.553
  253    HA   GLU  33           HA       GLU  33 -10.861 -12.571   0.545
  254   1HB   GLU  33          2HB       GLU  33  -9.007 -12.016  -1.415
  255   2HB   GLU  33          1HB       GLU  33  -9.322 -13.730  -1.686
  256   1HG   GLU  33          2HG       GLU  33 -11.819 -13.116  -1.526
  257   2HG   GLU  33          1HG       GLU  33 -11.292 -11.443  -1.716
  258    H    ALA  34           H        ALA  34 -11.633 -14.828  -0.326
  259    HA   ALA  34           HA       ALA  34 -10.651 -16.868   1.525
  260   1HB   ALA  34          1HB       ALA  34 -12.750 -16.746  -0.657
  261   2HB   ALA  34          2HB       ALA  34 -13.009 -16.678   1.086
  262   3HB   ALA  34          3HB       ALA  34 -12.482 -18.182   0.332
  263    H    ARG  35           H        ARG  35 -10.282 -16.124  -1.899
  264    HA   ARG  35           HA       ARG  35  -9.101 -18.739  -2.546
  265   1HB   ARG  35          2HB       ARG  35 -10.503 -17.130  -4.020
  266   2HB   ARG  35          1HB       ARG  35  -9.009 -16.206  -4.188
  267   1HG   ARG  35          2HG       ARG  35  -7.992 -18.585  -4.769
  268   2HG   ARG  35          1HG       ARG  35  -9.663 -18.949  -5.196
  269   1HD   ARG  35          2HD       ARG  35  -9.619 -16.783  -6.588
  270   2HD   ARG  35          1HD       ARG  35  -7.857 -16.832  -6.385
  271    HE   ARG  35           HE       ARG  35  -7.867 -19.052  -7.474
  272   1HH1  ARG  35          2HH1      ARG  35  -9.261 -17.014  -9.321
  273   2HH1  ARG  35          1HH1      ARG  35 -10.604 -17.958  -9.875
  274   1HH2  ARG  35          1HH2      ARG  35 -10.259 -20.377  -7.414
  275   2HH2  ARG  35          2HH2      ARG  35 -11.169 -19.862  -8.795
  276    H    GLY  36           H        GLY  36  -7.983 -16.076  -0.889
  277   1HA   GLY  36          2HA       GLY  36  -5.405 -16.740  -0.432
  278   2HA   GLY  36          1HA       GLY  36  -5.273 -16.049  -2.050
  279    H    THR  37           H        THR  37  -4.264 -14.100  -1.636
  280    HA   THR  37           HA       THR  37  -5.843 -12.053  -0.216
  281    HB   THR  37           HB       THR  37  -3.080 -12.926   0.689
  282    HG1  THR  37           HG1      THR  37  -5.393 -12.928   2.265
  283   1HG2  THR  37          1HG2      THR  37  -4.912 -10.886   1.960
  284   2HG2  THR  37          2HG2      THR  37  -3.645 -10.444   0.816
  285   3HG2  THR  37          3HG2      THR  37  -3.224 -11.213   2.347
  286    H    ARG  38           H        ARG  38  -4.951  -9.879  -0.599
  287    HA   ARG  38           HA       ARG  38  -2.651  -9.591  -2.417
  288   1HB   ARG  38          2HB       ARG  38  -5.417  -9.817  -3.312
  289   2HB   ARG  38          1HB       ARG  38  -4.703  -8.283  -3.811
  290   1HG   ARG  38          2HG       ARG  38  -3.854  -9.501  -5.536
  291   2HG   ARG  38          1HG       ARG  38  -2.655 -10.015  -4.348
  292   1HD   ARG  38          2HD       ARG  38  -3.389 -12.147  -4.538
  293   2HD   ARG  38          1HD       ARG  38  -5.010 -11.636  -4.026
  294    HE   ARG  38           HE       ARG  38  -5.609 -11.877  -6.293
  295   1HH1  ARG  38          1HH2      ARG  38  -2.655 -12.826  -6.767
  296   2HH1  ARG  38          2HH2      ARG  38  -2.243 -11.817  -8.114
  297   1HH2  ARG  38          2HH1      ARG  38  -4.954  -9.697  -7.697
  298   2HH2  ARG  38          1HH1      ARG  38  -3.545 -10.047  -8.641
  299    H    ILE  39           H        ILE  39  -1.871  -7.440  -2.384
  300    HA   ILE  39           HA       ILE  39  -3.370  -5.564  -0.584
  301    HB   ILE  39           HB       ILE  39  -0.412  -5.845  -1.205
  302   1HG1  ILE  39          2HG1      ILE  39  -1.139  -6.248   1.548
  303   2HG1  ILE  39          1HG1      ILE  39  -2.122  -7.306   0.535
  304   1HG2  ILE  39          1HG2      ILE  39  -0.712  -3.583  -0.633
  305   2HG2  ILE  39          2HG2      ILE  39  -0.334  -4.336   0.916
  306   3HG2  ILE  39          3HG2      ILE  39  -2.005  -3.948   0.509
  307   1HD1  ILE  39          1HD1      ILE  39   0.437  -7.458  -0.583
  308   2HD1  ILE  39          2HD1      ILE  39  -0.339  -8.683   0.421
  309   3HD1  ILE  39          3HD1      ILE  39   0.716  -7.477   1.158
  310    H    GLU  40           H        GLU  40  -2.868  -3.201  -1.092
  311    HA   GLU  40           HA       GLU  40  -2.334  -2.703  -3.988
  312   1HB   GLU  40          2HB       GLU  40  -4.721  -2.910  -3.846
  313   2HB   GLU  40          1HB       GLU  40  -4.778  -1.966  -2.357
  314   1HG   GLU  40          2HG       GLU  40  -4.533   0.044  -3.456
  315   2HG   GLU  40          1HG       GLU  40  -3.570  -0.663  -4.754
  316    H    ARG  41           H        ARG  41  -1.040  -0.904  -4.230
  317    HA   ARG  41           HA       ARG  41  -0.804   0.960  -1.888
  318   1HB   ARG  41          2HB       ARG  41   1.575   1.237  -2.924
  319   2HB   ARG  41          1HB       ARG  41   1.224  -0.240  -2.028
  320   1HG   ARG  41          2HG       ARG  41   2.362  -0.719  -4.181
  321   2HG   ARG  41          1HG       ARG  41   0.746  -1.425  -4.123
  322   1HD   ARG  41          2HD       ARG  41  -0.161   0.291  -5.530
  323   2HD   ARG  41          1HD       ARG  41   1.300   1.287  -5.365
  324    HE   ARG  41           HE       ARG  41   2.487  -0.275  -6.777
  325   1HH1  ARG  41          1HH2      ARG  41   0.935  -2.715  -5.749
  326   2HH1  ARG  41          2HH2      ARG  41   0.088  -3.187  -7.184
  327   1HH2  ARG  41          2HH1      ARG  41   0.649  -0.183  -8.821
  328   2HH2  ARG  41          1HH1      ARG  41  -0.073  -1.754  -8.924
  329    H    GLY  42           H        GLY  42   0.759   2.902  -3.164
  330   1HA   GLY  42          2HA       GLY  42   0.438   3.965  -5.566
  331   2HA   GLY  42          1HA       GLY  42  -1.241   4.060  -5.032
  332    H    CYS  43           H        CYS  43  -1.561   6.216  -4.637
  333    HA   CYS  43           HA       CYS  43   0.169   7.485  -2.561
  334   1HB   CYS  43          2HB       CYS  43  -0.657   8.861  -5.131
  335   2HB   CYS  43          1HB       CYS  43   0.534   9.407  -3.950
  336    H    ALA  44           H        ALA  44  -1.299   8.023  -0.981
  337    HA   ALA  44           HA       ALA  44  -3.650   9.656  -1.697
  338   1HB   ALA  44          1HB       ALA  44  -3.704   6.774  -1.065
  339   2HB   ALA  44          2HB       ALA  44  -4.903   7.762  -1.900
  340   3HB   ALA  44          3HB       ALA  44  -4.852   7.741  -0.138
  341    H    ALA  45           H        ALA  45  -4.991   9.841   0.569
  342    HA   ALA  45           HA       ALA  45  -3.153   9.918   2.897
  343   1HB   ALA  45          1HB       ALA  45  -2.643  12.077   2.419
  344   2HB   ALA  45          2HB       ALA  45  -4.303  12.456   2.880
  345   3HB   ALA  45          3HB       ALA  45  -3.901  12.172   1.187
  346    H    THR  46           H        THR  46  -5.918   8.835   1.863
  347    HA   THR  46           HA       THR  46  -7.712   9.951   3.954
  348    HB   THR  46           HB       THR  46  -8.381   7.792   1.964
  349    HG1  THR  46           HG1      THR  46  -7.543   9.183   0.576
  350   1HG2  THR  46          1HG2      THR  46 -10.017   8.597   3.699
  351   2HG2  THR  46          2HG2      THR  46 -10.568   8.817   2.037
  352   3HG2  THR  46          3HG2      THR  46  -9.943  10.192   2.949
  353    H    CYS  47           H        CYS  47  -6.003   6.985   3.086
  354    HA   CYS  47           HA       CYS  47  -5.957   4.865   4.140
  355   1HB   CYS  47          2HB       CYS  47  -5.754   6.649   6.569
  356   2HB   CYS  47          1HB       CYS  47  -4.889   5.158   6.227
  357    HA   PRO  48           HA       PRO  48 -10.320   4.941   5.609
  358   1HB   PRO  48          2HB       PRO  48 -11.089   2.739   4.176
  359   2HB   PRO  48          1HB       PRO  48 -11.099   4.381   3.503
  360   1HG   PRO  48          2HG       PRO  48  -9.112   2.197   3.134
  361   2HG   PRO  48          1HG       PRO  48  -9.716   3.384   1.967
  362   1HD   PRO  48          2HD       PRO  48  -7.294   3.582   3.213
  363   2HD   PRO  48          1HD       PRO  48  -8.215   4.982   2.620
  364    H    LYS  49           H        LYS  49 -11.523   2.556   6.189
  365    HA   LYS  49           HA       LYS  49  -9.553   1.226   8.016
  366   1HB   LYS  49          2HB       LYS  49 -12.550   1.681   8.139
  367   2HB   LYS  49          1HB       LYS  49 -11.663   0.708   9.313
  368   1HG   LYS  49          2HG       LYS  49 -10.959   2.546  10.404
  369   2HG   LYS  49          1HG       LYS  49 -10.351   3.259   8.910
  370   1HD   LYS  49          2HD       LYS  49 -12.173   4.598  10.052
  371   2HD   LYS  49          1HD       LYS  49 -12.510   4.175   8.373
  372   1HE   LYS  49          2HE       LYS  49 -14.245   2.790   8.942
  373   2HE   LYS  49          1HE       LYS  49 -13.413   2.189  10.390
  374   1HZ   LYS  49          1HZ       LYS  49 -14.486   4.945  10.124
  375   2HZ   LYS  49          2HZ       LYS  49 -13.858   4.219  11.525
  376   3HZ   LYS  49          3HZ       LYS  49 -15.332   3.681  10.874
  377    H    GLY  50           H        GLY  50 -10.592  -1.104   8.608
  378   1HA   GLY  50          2HA       GLY  50 -11.224  -2.423   5.995
  379   2HA   GLY  50          1HA       GLY  50 -10.211  -3.174   7.230
  380    H    SER  51           H        SER  51 -11.716  -4.983   7.286
  381    HA   SER  51           HA       SER  51 -13.875  -4.575   9.237
  382   1HB   SER  51          2HB       SER  51 -14.581  -4.033   6.737
  383   2HB   SER  51          1HB       SER  51 -14.684  -5.787   6.615
  384    HG   SER  51           HG       SER  51 -16.299  -4.003   7.920
  385    H    VAL  52           H        VAL  52 -15.235  -6.983   8.835
  386    HA   VAL  52           HA       VAL  52 -13.563  -8.919  10.045
  387    HB   VAL  52           HB       VAL  52 -16.056  -9.191   8.335
  388   1HG1  VAL  52          1HG1      VAL  52 -16.369 -11.351   9.417
  389   2HG1  VAL  52          2HG1      VAL  52 -14.909 -11.118  10.379
  390   3HG1  VAL  52          3HG1      VAL  52 -14.790 -11.331   8.631
  391   1HG2  VAL  52          1HG2      VAL  52 -16.855  -9.527  10.896
  392   2HG2  VAL  52          2HG2      VAL  52 -16.819  -7.949  10.111
  393   3HG2  VAL  52          3HG2      VAL  52 -15.490  -8.442  11.160
  394    H    TYR  53           H        TYR  53 -14.159  -8.223   6.630
  395    HA   TYR  53           HA       TYR  53 -13.138 -10.572   5.431
  396   1HB   TYR  53          2HB       TYR  53 -13.492  -7.701   4.761
  397   2HB   TYR  53          1HB       TYR  53 -12.362  -8.589   3.738
  398    HD1  TYR  53           HD1      TYR  53 -13.120 -10.657   2.542
  399    HD2  TYR  53           HD2      TYR  53 -15.850  -8.101   4.652
  400    HE1  TYR  53           HE1      TYR  53 -15.022 -11.696   1.338
  401    HE2  TYR  53           HE2      TYR  53 -17.754  -9.140   3.450
  402    HH   TYR  53           HH       TYR  53 -18.043 -11.623   2.266
  403    H    GLY  54           H        GLY  54 -11.410  -7.690   6.626
  404   1HA   GLY  54          2HA       GLY  54  -9.182  -8.081   7.676
  405   2HA   GLY  54          1HA       GLY  54  -8.871  -9.257   6.397
  406    H    LEU  55           H        LEU  55  -9.726  -5.799   6.757
  407    HA   LEU  55           HA       LEU  55  -8.129  -5.241   4.288
  408   1HB   LEU  55          2HB       LEU  55 -10.634  -4.333   5.446
  409   2HB   LEU  55          1HB       LEU  55  -9.569  -2.967   5.111
  410    HG   LEU  55           HG       LEU  55 -10.089  -5.148   3.083
  411   1HD1  LEU  55          1HD1      LEU  55 -11.477  -2.968   2.183
  412   2HD1  LEU  55          2HD1      LEU  55 -11.773  -2.868   3.919
  413   3HD1  LEU  55          3HD1      LEU  55 -12.214  -4.327   3.032
  414   1HD2  LEU  55          1HD2      LEU  55  -8.421  -2.784   3.249
  415   2HD2  LEU  55          2HD2      LEU  55  -9.560  -2.637   1.911
  416   3HD2  LEU  55          3HD2      LEU  55  -8.468  -4.020   1.991
  417    H    TYR  56           H        TYR  56  -6.022  -5.046   5.180
  418    HA   TYR  56           HA       TYR  56  -5.569  -3.391   7.577
  419   1HB   TYR  56          2HB       TYR  56  -4.370  -5.567   6.572
  420   2HB   TYR  56          1HB       TYR  56  -3.384  -4.342   5.772
  421    HD1  TYR  56           HD1      TYR  56  -3.773  -2.236   8.034
  422    HD2  TYR  56           HD2      TYR  56  -2.583  -6.363   8.031
  423    HE1  TYR  56           HE1      TYR  56  -2.512  -1.874  10.138
  424    HE2  TYR  56           HE2      TYR  56  -1.321  -6.001  10.135
  425    HH   TYR  56           HH       TYR  56  -0.995  -4.568  11.856
  426    H    VAL  57           H        VAL  57  -5.527  -1.186   7.353
  427    HA   VAL  57           HA       VAL  57  -4.564  -0.033   4.758
  428    HB   VAL  57           HB       VAL  57  -6.427   0.925   6.945
  429   1HG1  VAL  57          1HG1      VAL  57  -6.039   3.058   6.343
  430   2HG1  VAL  57          2HG1      VAL  57  -6.374   2.662   4.657
  431   3HG1  VAL  57          3HG1      VAL  57  -4.736   2.505   5.292
  432   1HG2  VAL  57          1HG2      VAL  57  -6.762   0.302   3.995
  433   2HG2  VAL  57          2HG2      VAL  57  -8.016   1.029   5.000
  434   3HG2  VAL  57          3HG2      VAL  57  -7.442  -0.602   5.348
  435    H    LEU  58           H        LEU  58  -2.657   1.110   4.819
  436    HA   LEU  58           HA       LEU  58  -1.813   2.458   7.317
  437   1HB   LEU  58          2HB       LEU  58  -1.093   0.030   7.380
  438   2HB   LEU  58          1HB       LEU  58  -0.092   0.360   5.964
  439    HG   LEU  58           HG       LEU  58   0.999   2.221   7.286
  440   1HD1  LEU  58          1HD1      LEU  58  -0.375   0.853   9.618
  441   2HD1  LEU  58          2HD1      LEU  58  -0.877   2.405   8.947
  442   3HD1  LEU  58          3HD1      LEU  58   0.710   2.241   9.697
  443   1HD2  LEU  58          1HD2      LEU  58   2.133   0.453   8.905
  444   2HD2  LEU  58          2HD2      LEU  58   2.359   0.338   7.159
  445   3HD2  LEU  58          3HD2      LEU  58   1.178  -0.695   7.965
  446    H    CYS  59           H        CYS  59  -1.051   4.423   6.660
  447    HA   CYS  59           HA       CYS  59   0.150   4.646   3.921
  448   1HB   CYS  59          2HB       CYS  59  -1.062   6.804   5.675
  449   2HB   CYS  59          1HB       CYS  59  -0.700   6.909   3.953
  450    H    CYS  60           H        CYS  60   2.205   5.590   3.743
  451    HA   CYS  60           HA       CYS  60   3.539   6.374   6.321
  452   1HB   CYS  60          2HB       CYS  60   4.066   4.275   4.464
  453   2HB   CYS  60          1HB       CYS  60   5.364   5.444   4.323
  454    H    THR  61           H        THR  61   5.513   7.802   5.894
  455    HA   THR  61           HA       THR  61   5.430   9.351   3.396
  456    HB   THR  61           HB       THR  61   5.370  11.391   5.146
  457    HG1  THR  61           HG1      THR  61   4.238  10.900   6.911
  458   1HG2  THR  61          1HG2      THR  61   3.785  10.629   3.187
  459   2HG2  THR  61          2HG2      THR  61   3.205  11.780   4.392
  460   3HG2  THR  61          3HG2      THR  61   2.752  10.080   4.507
  461    H    THR  62           H        THR  62   7.322  10.764   3.184
  462    HA   THR  62           HA       THR  62   9.587  11.342   3.463
  463    HB   THR  62           HB       THR  62   9.044  10.458   6.310
  464    HG1  THR  62           HG1      THR  62   8.399  12.771   4.849
  465   1HG2  THR  62          1HG2      THR  62  11.237  11.854   4.920
  466   2HG2  THR  62          2HG2      THR  62  11.249  10.982   6.453
  467   3HG2  THR  62          3HG2      THR  62  10.675  12.648   6.391
  468    H    ASP  63           H        ASP  63  11.594  10.352   3.312
  469    HA   ASP  63           HA       ASP  63  12.958   8.483   2.725
  470   1HB   ASP  63          2HB       ASP  63  12.159   8.134   5.629
  471   2HB   ASP  63          1HB       ASP  63  13.550   7.348   4.881
  472    H    ASP  64           H        ASP  64  11.960   7.061   1.259
  473    HA   ASP  64           HA       ASP  64  10.904   5.050   0.569
  474   1HB   ASP  64          2HB       ASP  64  12.517   4.283   2.366
  475   2HB   ASP  64          1HB       ASP  64  11.174   4.355   3.508
  476    H    CYS  65           H        CYS  65   9.598   5.267   3.921
  477    HA   CYS  65           HA       CYS  65   6.991   4.544   3.481
  478   1HB   CYS  65          2HB       CYS  65   8.494   6.335   5.298
  479   2HB   CYS  65          1HB       CYS  65   6.755   6.610   5.261
  480    H    ASN  66           HN       ASN  66   8.558   7.508   2.450
  481    HA   ASN  66           HA       ASN  66   6.689   9.433   2.053
  482   1HB   ASN  66          2HB       ASN  66   9.123   8.777   1.006
  483   2HB   ASN  66          1HB       ASN  66   8.101   8.644  -0.426
  484   1HD2  ASN  66          1HD2      ASN  66   9.413  10.640  -1.113
  485   2HD2  ASN  66          2HD2      ASN  66   8.863  12.159  -0.597
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1  13.755  10.117   0.881
    2   2H    MET   1          2H        MET   1  13.586   9.118  -0.483
    3   3H    MET   1          3H        MET   1  13.198   8.524   1.061
    4    HA   MET   1           HA       MET   1  11.171   9.513   1.103
    5   1HB   MET   1          2HB       MET   1  12.183  11.715   1.225
    6   2HB   MET   1          1HB       MET   1  12.598  11.667  -0.489
    7   1HG   MET   1          2HG       MET   1  10.502  12.255  -1.134
    8   2HG   MET   1          1HG       MET   1   9.743  11.204   0.062
    9   1HE   MET   1          1HE       MET   1   7.998  13.297   1.940
   10   2HE   MET   1          2HE       MET   1   8.073  12.363   0.448
   11   3HE   MET   1          3HE       MET   1   7.976  14.121   0.374
   12    H    LYS   2           H        LYS   2  11.089   7.456  -0.352
   13    HA   LYS   2           HA       LYS   2  10.007   8.265  -3.028
   14   1HB   LYS   2          2HB       LYS   2  12.019   6.105  -2.339
   15   2HB   LYS   2          1HB       LYS   2  11.187   6.181  -3.893
   16   1HG   LYS   2          2HG       LYS   2  12.262   8.150  -4.526
   17   2HG   LYS   2          1HG       LYS   2  12.594   8.623  -2.860
   18   1HD   LYS   2          2HD       LYS   2  14.254   6.826  -2.658
   19   2HD   LYS   2          1HD       LYS   2  13.902   6.299  -4.304
   20   1HE   LYS   2          2HE       LYS   2  14.618   8.542  -5.146
   21   2HE   LYS   2          1HE       LYS   2  15.071   8.983  -3.488
   22   1HZ   LYS   2          1HZ       LYS   2  16.297   7.033  -5.288
   23   2HZ   LYS   2          2HZ       LYS   2  16.241   6.635  -3.637
   24   3HZ   LYS   2          3HZ       LYS   2  17.024   8.054  -4.144
   25    H    CYS   3           H        CYS   3   9.210   5.801  -3.940
   26    HA   CYS   3           HA       CYS   3   7.752   4.413  -1.755
   27   1HB   CYS   3          2HB       CYS   3   6.570   6.148  -3.905
   28   2HB   CYS   3          1HB       CYS   3   5.648   4.769  -3.308
   29    H    LYS   4           H        LYS   4   8.292   2.321  -2.202
   30    HA   LYS   4           HA       LYS   4   8.791   1.431  -4.968
   31   1HB   LYS   4          2HB       LYS   4   9.531  -0.615  -3.807
   32   2HB   LYS   4          1HB       LYS   4  10.242   0.816  -3.058
   33   1HG   LYS   4          2HG       LYS   4   7.869   0.562  -1.684
   34   2HG   LYS   4          1HG       LYS   4   8.327  -1.120  -1.948
   35   1HD   LYS   4          2HD       LYS   4  10.220   0.970  -0.841
   36   2HD   LYS   4          1HD       LYS   4   9.261  -0.110   0.172
   37   1HE   LYS   4          2HE       LYS   4  10.769  -1.773  -0.122
   38   2HE   LYS   4          1HE       LYS   4  10.612  -1.639  -1.885
   39   1HZ   LYS   4          1HZ       LYS   4  12.473  -0.264  -0.078
   40   2HZ   LYS   4          2HZ       LYS   4  11.949   0.553  -1.472
   41   3HZ   LYS   4          3HZ       LYS   4  12.760  -0.934  -1.609
   42    H    ILE   5           H        ILE   5   7.325   0.294  -6.183
   43    HA   ILE   5           HA       ILE   5   4.752  -0.510  -4.884
   44    HB   ILE   5           HB       ILE   5   5.562  -0.005  -7.768
   45   1HG1  ILE   5          2HG1      ILE   5   3.603   1.605  -6.144
   46   2HG1  ILE   5          1HG1      ILE   5   5.333   1.921  -6.005
   47   1HG2  ILE   5          1HG2      ILE   5   3.391  -1.500  -6.730
   48   2HG2  ILE   5          2HG2      ILE   5   3.629  -0.969  -8.395
   49   3HG2  ILE   5          3HG2      ILE   5   2.726   0.043  -7.268
   50   1HD1  ILE   5          1HD1      ILE   5   4.651   1.662  -8.785
   51   2HD1  ILE   5          2HD1      ILE   5   5.310   3.064  -7.941
   52   3HD1  ILE   5          3HD1      ILE   5   3.564   2.829  -8.032
   53    H    CYS   6           H        CYS   6   4.832  -2.661  -4.303
   54    HA   CYS   6           HA       CYS   6   5.851  -4.610  -6.337
   55   1HB   CYS   6          2HB       CYS   6   6.654  -4.108  -3.508
   56   2HB   CYS   6          1HB       CYS   6   6.588  -5.790  -4.035
   57    H    ASN   7           H        ASN   7   5.341  -6.919  -4.858
   58    HA   ASN   7           HA       ASN   7   2.359  -6.882  -4.726
   59   1HB   ASN   7          2HB       ASN   7   3.747  -8.407  -6.247
   60   2HB   ASN   7          1HB       ASN   7   4.256  -9.243  -4.779
   61   1HD2  ASN   7          1HD2      ASN   7   1.412  -8.490  -6.793
   62   2HD2  ASN   7          2HD2      ASN   7   0.423  -9.706  -6.143
   63    H    PHE   8           H        PHE   8   1.632  -8.772  -3.068
   64    HA   PHE   8           HA       PHE   8   2.099  -7.834  -0.431
   65   1HB   PHE   8          2HB       PHE   8   0.144  -9.107  -0.985
   66   2HB   PHE   8          1HB       PHE   8   1.113 -10.452  -1.587
   67    HD1  PHE   8           HD1      PHE   8   0.631  -8.419   1.531
   68    HD2  PHE   8           HD2      PHE   8   1.518 -12.262  -0.171
   69    HE1  PHE   8           HE1      PHE   8   0.659  -9.418   3.801
   70    HE2  PHE   8           HE2      PHE   8   1.546 -13.261   2.100
   71    HZ   PHE   8           HZ       PHE   8   1.116 -11.838   4.085
   72    H    ASP   9           H        ASP   9   4.278  -7.746   0.188
   73    HA   ASP   9           HA       ASP   9   6.203  -8.647   1.241
   74   1HB   ASP   9          2HB       ASP   9   4.356 -10.530   1.614
   75   2HB   ASP   9          1HB       ASP   9   5.372 -11.417   0.478
   76    H    THR  10           H        THR  10   5.253 -10.236  -1.831
   77    HA   THR  10           HA       THR  10   8.082 -10.637  -2.564
   78    HB   THR  10           HB       THR  10   6.880 -11.540  -4.661
   79    HG1  THR  10           HG1      THR  10   4.580 -12.011  -3.858
   80   1HG2  THR  10          1HG2      THR  10   6.058 -12.741  -2.006
   81   2HG2  THR  10          2HG2      THR  10   7.670 -12.909  -2.700
   82   3HG2  THR  10          3HG2      THR  10   6.274 -13.590  -3.536
   83    H    CYS  11           H        CYS  11   9.077  -9.566  -4.351
   84    HA   CYS  11           HA       CYS  11   7.745  -7.007  -5.162
   85   1HB   CYS  11          2HB       CYS  11  10.385  -7.794  -4.226
   86   2HB   CYS  11          1HB       CYS  11  10.490  -6.938  -5.763
   87    H    ARG  12           H        ARG  12   6.757  -8.903  -6.708
   88    HA   ARG  12           HA       ARG  12   8.409  -9.791  -8.907
   89   1HB   ARG  12          2HB       ARG  12   5.423  -9.512  -8.465
   90   2HB   ARG  12          1HB       ARG  12   6.125 -10.317  -9.869
   91   1HG   ARG  12          2HG       ARG  12   7.451 -11.725  -8.148
   92   2HG   ARG  12          1HG       ARG  12   6.281 -11.131  -6.969
   93   1HD   ARG  12          2HD       ARG  12   4.845 -11.998  -9.303
   94   2HD   ARG  12          1HD       ARG  12   5.942 -13.296  -8.787
   95    HE   ARG  12           HE       ARG  12   4.686 -12.124  -6.486
   96   1HH1  ARG  12          2HH1      ARG  12   2.710 -12.813  -8.915
   97   2HH1  ARG  12          1HH1      ARG  12   2.046 -14.285  -8.289
   98   1HH2  ARG  12          1HH2      ARG  12   4.429 -14.608  -5.789
   99   2HH2  ARG  12          2HH2      ARG  12   3.020 -15.301  -6.521
  100    H    ALA  13           H        ALA  13   6.912  -6.786  -8.169
  101    HA   ALA  13           HA       ALA  13   6.901  -5.926 -11.024
  102   1HB   ALA  13          1HB       ALA  13   5.471  -4.189 -10.259
  103   2HB   ALA  13          2HB       ALA  13   6.038  -4.346  -8.596
  104   3HB   ALA  13          3HB       ALA  13   5.000  -5.589  -9.295
  105    H    GLY  14           H        GLY  14   7.842  -4.365  -7.936
  106   1HA   GLY  14          2HA       GLY  14   9.868  -3.280  -7.376
  107   2HA   GLY  14          1HA       GLY  14  10.549  -3.850  -8.900
  108    H    GLU  15           H        GLU  15   7.571  -1.962  -8.489
  109    HA   GLU  15           HA       GLU  15   8.700   0.078 -10.343
  110   1HB   GLU  15          2HB       GLU  15   6.054  -1.005  -9.569
  111   2HB   GLU  15          1HB       GLU  15   6.079   0.728  -9.898
  112   1HG   GLU  15          2HG       GLU  15   5.793   0.014 -12.058
  113   2HG   GLU  15          1HG       GLU  15   7.549  -0.137 -11.990
  114    H    LEU  16           H        LEU  16  10.094   1.048  -8.630
  115    HA   LEU  16           HA       LEU  16   8.597   2.459  -6.470
  116   1HB   LEU  16          2HB       LEU  16  10.462   1.127  -5.731
  117   2HB   LEU  16          1HB       LEU  16  11.510   1.802  -6.977
  118    HG   LEU  16           HG       LEU  16  10.230   3.731  -5.102
  119   1HD1  LEU  16          1HD1      LEU  16  11.828   1.482  -4.204
  120   2HD1  LEU  16          2HD1      LEU  16  11.037   2.736  -3.248
  121   3HD1  LEU  16          3HD1      LEU  16  12.660   3.004  -3.886
  122   1HD2  LEU  16          1HD2      LEU  16  11.993   5.057  -5.736
  123   2HD2  LEU  16          2HD2      LEU  16  12.030   3.954  -7.111
  124   3HD2  LEU  16          3HD2      LEU  16  13.131   3.711  -5.755
  125    H    LYS  17           H        LYS  17   8.601   4.702  -6.340
  126    HA   LYS  17           HA       LYS  17  10.231   6.278  -8.248
  127   1HB   LYS  17          2HB       LYS  17   7.752   5.449  -8.975
  128   2HB   LYS  17          1HB       LYS  17   7.329   6.931  -8.115
  129   1HG   LYS  17          2HG       LYS  17   8.818   8.236  -9.520
  130   2HG   LYS  17          1HG       LYS  17   9.416   6.776 -10.308
  131   1HD   LYS  17          2HD       LYS  17   7.185   6.323 -11.219
  132   2HD   LYS  17          1HD       LYS  17   6.542   7.740 -10.388
  133   1HE   LYS  17          2HE       LYS  17   7.269   9.123 -12.033
  134   2HE   LYS  17          1HE       LYS  17   8.893   8.407 -11.994
  135   1HZ   LYS  17          1HZ       LYS  17   6.598   6.935 -13.133
  136   2HZ   LYS  17          2HZ       LYS  17   8.258   6.680 -13.394
  137   3HZ   LYS  17          3HZ       LYS  17   7.483   8.027 -14.081
  138    H    VAL  18           H        VAL  18   8.213   8.509  -7.617
  139    HA   VAL  18           HA       VAL  18   9.155   9.035  -4.822
  140    HB   VAL  18           HB       VAL  18   9.176  11.409  -5.607
  141   1HG1  VAL  18          1HG1      VAL  18  11.269  11.186  -6.572
  142   2HG1  VAL  18          2HG1      VAL  18  10.745   9.886  -7.643
  143   3HG1  VAL  18          3HG1      VAL  18  11.068   9.550  -5.942
  144   1HG2  VAL  18          1HG2      VAL  18   7.478  10.522  -7.548
  145   2HG2  VAL  18          2HG2      VAL  18   9.001  10.557  -8.436
  146   3HG2  VAL  18          3HG2      VAL  18   8.395  12.023  -7.666
  147    H    CYS  19           H        CYS  19   7.668  11.066  -4.022
  148    HA   CYS  19           HA       CYS  19   4.940  11.238  -4.821
  149   1HB   CYS  19          2HB       CYS  19   5.749   8.846  -3.370
  150   2HB   CYS  19          1HB       CYS  19   4.493   9.727  -2.500
  151    H    ALA  20           H        ALA  20   3.673  11.513  -2.335
  152    HA   ALA  20           HA       ALA  20   3.405  13.176  -0.669
  153   1HB   ALA  20          1HB       ALA  20   5.833  11.639  -0.338
  154   2HB   ALA  20          2HB       ALA  20   4.733  12.243   0.901
  155   3HB   ALA  20          3HB       ALA  20   6.050  13.260   0.321
  156    H    SER  21           H        SER  21   4.232  14.127  -3.373
  157    HA   SER  21           HA       SER  21   6.251  16.001  -3.551
  158   1HB   SER  21          2HB       SER  21   4.987  16.844  -5.304
  159   2HB   SER  21          1HB       SER  21   4.135  15.325  -5.035
  160    HG   SER  21           HG       SER  21   2.462  16.510  -4.607
  161    H    GLY  22           H        GLY  22   3.372  16.200  -1.545
  162   1HA   GLY  22          2HA       GLY  22   4.523  18.449  -0.069
  163   2HA   GLY  22          1HA       GLY  22   3.057  18.863  -0.959
  164    H    GLU  23           H        GLU  23   1.071  17.777  -0.383
  165    HA   GLU  23           HA       GLU  23   1.074  16.826   2.448
  166   1HB   GLU  23          2HB       GLU  23  -1.185  17.725   0.629
  167   2HB   GLU  23          1HB       GLU  23  -1.275  17.497   2.376
  168   1HG   GLU  23          2HG       GLU  23   0.849  19.326   1.370
  169   2HG   GLU  23          1HG       GLU  23  -0.816  19.904   1.266
  170    H    LYS  24           H        LYS  24   1.516  15.326  -0.324
  171    HA   LYS  24           HA       LYS  24  -0.673  13.363  -0.298
  172   1HB   LYS  24          2HB       LYS  24   0.398  14.115  -2.374
  173   2HB   LYS  24          1HB       LYS  24   1.966  13.563  -1.788
  174   1HG   LYS  24          2HG       LYS  24   1.494  11.361  -2.185
  175   2HG   LYS  24          1HG       LYS  24  -0.210  11.545  -1.767
  176   1HD   LYS  24          2HD       LYS  24  -0.240  11.165  -4.099
  177   2HD   LYS  24          1HD       LYS  24  -0.397  12.915  -3.952
  178   1HE   LYS  24          2HE       LYS  24   2.404  12.224  -3.971
  179   2HE   LYS  24          1HE       LYS  24   1.603  11.502  -5.381
  180   1HZ   LYS  24          1HZ       LYS  24   1.056  14.282  -4.528
  181   2HZ   LYS  24          2HZ       LYS  24   0.719  13.553  -6.026
  182   3HZ   LYS  24          3HZ       LYS  24   2.322  13.916  -5.595
  183    H    TYR  25           H        TYR  25  -0.528  11.267   0.537
  184    HA   TYR  25           HA       TYR  25   1.980  10.601   2.052
  185   1HB   TYR  25          2HB       TYR  25  -0.646  11.041   2.921
  186   2HB   TYR  25          1HB       TYR  25  -0.475   9.287   2.921
  187    HD1  TYR  25           HD1      TYR  25   1.947  12.067   3.613
  188    HD2  TYR  25           HD2      TYR  25  -0.035   8.556   5.093
  189    HE1  TYR  25           HE1      TYR  25   3.276  12.197   5.703
  190    HE2  TYR  25           HE2      TYR  25   1.294   8.685   7.182
  191    HH   TYR  25           HH       TYR  25   2.778  11.263   8.255
  192    H    CYS  26           H        CYS  26   2.808   8.514   1.741
  193    HA   CYS  26           HA       CYS  26   1.721   6.963  -0.517
  194   1HB   CYS  26          2HB       CYS  26   4.219   7.478   0.536
  195   2HB   CYS  26          1HB       CYS  26   3.906   5.845   1.126
  196    H    PHE  27           H        PHE  27  -0.008   5.634  -0.055
  197    HA   PHE  27           HA       PHE  27  -0.042   4.250   2.603
  198   1HB   PHE  27          2HB       PHE  27  -2.427   4.321   2.410
  199   2HB   PHE  27          1HB       PHE  27  -1.859   5.908   1.892
  200    HD1  PHE  27           HD1      PHE  27  -3.383   2.744   0.835
  201    HD2  PHE  27           HD2      PHE  27  -1.833   6.521  -0.500
  202    HE1  PHE  27           HE1      PHE  27  -4.475   2.413  -1.367
  203    HE2  PHE  27           HE2      PHE  27  -2.925   6.190  -2.702
  204    HZ   PHE  27           HZ       PHE  27  -4.246   4.136  -3.136
  205    H    LYS  28           H        LYS  28  -0.928   2.028   2.578
  206    HA   LYS  28           HA       LYS  28  -0.646   0.617  -0.046
  207   1HB   LYS  28          2HB       LYS  28   0.559  -1.166   1.380
  208   2HB   LYS  28          1HB       LYS  28   1.457   0.313   1.037
  209   1HG   LYS  28          2HG       LYS  28   0.695   1.231   3.235
  210   2HG   LYS  28          1HG       LYS  28  -0.061  -0.323   3.583
  211   1HD   LYS  28          2HD       LYS  28   1.925  -1.321   4.050
  212   2HD   LYS  28          1HD       LYS  28   2.745  -0.520   2.710
  213   1HE   LYS  28          2HE       LYS  28   1.951   1.047   5.167
  214   2HE   LYS  28          1HE       LYS  28   3.475   0.140   5.116
  215   1HZ   LYS  28          1HZ       LYS  28   3.818   2.363   4.260
  216   2HZ   LYS  28          2HZ       LYS  28   2.566   2.158   3.130
  217   3HZ   LYS  28          3HZ       LYS  28   3.989   1.236   3.003
  218    H    GLU  29           H        GLU  29  -2.647  -0.301  -0.352
  219    HA   GLU  29           HA       GLU  29  -4.210  -1.190   2.027
  220   1HB   GLU  29          2HB       GLU  29  -4.769  -0.430  -0.825
  221   2HB   GLU  29          1HB       GLU  29  -5.940  -1.422   0.045
  222   1HG   GLU  29          2HG       GLU  29  -5.348   0.533   1.893
  223   2HG   GLU  29          1HG       GLU  29  -5.293   1.426   0.373
  224    H    SER  30           H        SER  30  -5.581  -3.266   1.472
  225    HA   SER  30           HA       SER  30  -4.187  -5.220  -0.245
  226   1HB   SER  30          2HB       SER  30  -2.811  -5.334   1.712
  227   2HB   SER  30          1HB       SER  30  -4.210  -5.276   2.780
  228    HG   SER  30           HG       SER  30  -4.100  -7.327   0.896
  229    H    TRP  31           H        TRP  31  -5.476  -7.124  -0.578
  230    HA   TRP  31           HA       TRP  31  -8.306  -6.856   0.374
  231   1HB   TRP  31          2HB       TRP  31  -7.028  -8.007  -2.122
  232   2HB   TRP  31          1HB       TRP  31  -8.739  -8.200  -1.742
  233    HD1  TRP  31           HD1      TRP  31  -6.810  -6.181  -3.871
  234    HE1  TRP  31           HE1      TRP  31  -7.794  -3.823  -4.212
  235    HE3  TRP  31           HE3      TRP  31 -10.048  -5.995   0.074
  236    HZ2  TRP  31           HZ2      TRP  31  -9.700  -2.086  -2.976
  237    HZ3  TRP  31           HZ3      TRP  31 -11.434  -3.979   0.469
  238    HH2  TRP  31           HH2      TRP  31 -11.264  -2.026  -1.050
  239    H    ARG  32           H        ARG  32  -8.765  -8.348   1.942
  240    HA   ARG  32           HA       ARG  32  -7.236 -10.909   1.999
  241   1HB   ARG  32          2HB       ARG  32  -7.956  -9.022   3.904
  242   2HB   ARG  32          1HB       ARG  32  -9.123 -10.320   4.166
  243   1HG   ARG  32          2HG       ARG  32  -6.190 -10.931   3.846
  244   2HG   ARG  32          1HG       ARG  32  -6.848 -10.459   5.413
  245   1HD   ARG  32          2HD       ARG  32  -8.643 -12.311   4.941
  246   2HD   ARG  32          1HD       ARG  32  -7.443 -12.923   3.786
  247    HE   ARG  32           HE       ARG  32  -6.118 -12.297   6.239
  248   1HH1  ARG  32          2HH1      ARG  32  -8.733 -14.304   5.314
  249   2HH1  ARG  32          1HH1      ARG  32  -8.154 -15.697   6.166
  250   1HH2  ARG  32          1HH2      ARG  32  -5.190 -14.188   7.152
  251   2HH2  ARG  32          2HH2      ARG  32  -6.146 -15.631   7.204
  252    H    GLU  33           H        GLU  33  -8.259 -12.536   0.885
  253    HA   GLU  33           HA       GLU  33 -11.238 -12.765   1.173
  254   1HB   GLU  33          2HB       GLU  33  -9.384 -13.214  -1.179
  255   2HB   GLU  33          1HB       GLU  33 -11.051 -13.790  -1.163
  256   1HG   GLU  33          2HG       GLU  33 -11.579 -11.745  -1.983
  257   2HG   GLU  33          1HG       GLU  33 -11.323 -11.173  -0.335
  258    H    ALA  34           H        ALA  34 -11.446 -15.281  -0.083
  259    HA   ALA  34           HA       ALA  34 -10.076 -17.020   1.930
  260   1HB   ALA  34          1HB       ALA  34 -11.982 -18.581   1.213
  261   2HB   ALA  34          2HB       ALA  34 -12.619 -17.214   0.301
  262   3HB   ALA  34          3HB       ALA  34 -12.465 -17.109   2.055
  263    H    ARG  35           H        ARG  35  -9.459 -16.029  -1.096
  264    HA   ARG  35           HA       ARG  35  -8.467 -18.728  -1.953
  265   1HB   ARG  35          2HB       ARG  35 -10.053 -16.611  -3.349
  266   2HB   ARG  35          1HB       ARG  35  -8.889 -17.529  -4.305
  267   1HG   ARG  35          2HG       ARG  35 -10.775 -18.989  -2.478
  268   2HG   ARG  35          1HG       ARG  35 -11.349 -18.425  -4.048
  269   1HD   ARG  35          2HD       ARG  35  -9.138 -19.559  -4.945
  270   2HD   ARG  35          1HD       ARG  35  -9.253 -20.488  -3.437
  271    HE   ARG  35           HE       ARG  35 -11.783 -20.730  -4.279
  272   1HH1  ARG  35          1HH2      ARG  35 -10.275 -19.767  -6.926
  273   2HH1  ARG  35          2HH2      ARG  35 -10.257 -21.276  -7.776
  274   1HH2  ARG  35          2HH1      ARG  35 -11.147 -23.153  -4.998
  275   2HH2  ARG  35          1HH1      ARG  35 -10.749 -23.193  -6.684
  276    H    GLY  36           H        GLY  36  -7.492 -15.818  -0.836
  277   1HA   GLY  36          2HA       GLY  36  -4.854 -15.819  -1.119
  278   2HA   GLY  36          1HA       GLY  36  -5.286 -15.435  -2.786
  279    H    THR  37           H        THR  37  -3.858 -13.755  -0.806
  280    HA   THR  37           HA       THR  37  -5.821 -11.523  -0.449
  281    HB   THR  37           HB       THR  37  -3.048 -11.841   0.729
  282    HG1  THR  37           HG1      THR  37  -4.141 -12.742   2.517
  283   1HG2  THR  37          1HG2      THR  37  -4.418  -9.625   0.734
  284   2HG2  THR  37          2HG2      THR  37  -3.699 -10.175   2.247
  285   3HG2  THR  37          3HG2      THR  37  -5.416 -10.436   1.941
  286    H    ARG  38           H        ARG  38  -5.172  -9.384  -1.141
  287    HA   ARG  38           HA       ARG  38  -2.906  -9.346  -3.109
  288   1HB   ARG  38          2HB       ARG  38  -5.776  -8.786  -3.341
  289   2HB   ARG  38          1HB       ARG  38  -4.773  -7.470  -3.953
  290   1HG   ARG  38          2HG       ARG  38  -3.542  -9.811  -4.891
  291   2HG   ARG  38          1HG       ARG  38  -5.271 -10.081  -5.119
  292   1HD   ARG  38          2HD       ARG  38  -3.847  -7.550  -6.010
  293   2HD   ARG  38          1HD       ARG  38  -4.179  -8.926  -7.080
  294    HE   ARG  38           HE       ARG  38  -6.332  -7.418  -5.640
  295   1HH1  ARG  38          1HH2      ARG  38  -6.638 -10.215  -7.004
  296   2HH1  ARG  38          2HH2      ARG  38  -7.418  -9.739  -8.476
  297   1HH2  ARG  38          2HH1      ARG  38  -6.677  -6.373  -8.092
  298   2HH2  ARG  38          1HH1      ARG  38  -7.440  -7.563  -9.091
  299    H    ILE  39           H        ILE  39  -2.126  -7.051  -3.507
  300    HA   ILE  39           HA       ILE  39  -2.571  -5.251  -1.160
  301    HB   ILE  39           HB       ILE  39  -0.525  -6.801  -1.025
  302   1HG1  ILE  39          2HG1      ILE  39  -0.250  -3.783  -0.958
  303   2HG1  ILE  39          1HG1      ILE  39  -0.645  -4.851   0.389
  304   1HG2  ILE  39          1HG2      ILE  39   1.422  -6.103  -2.363
  305   2HG2  ILE  39          2HG2      ILE  39   0.429  -4.901  -3.189
  306   3HG2  ILE  39          3HG2      ILE  39   0.100  -6.620  -3.411
  307   1HD1  ILE  39          1HD1      ILE  39   1.588  -5.942   0.123
  308   2HD1  ILE  39          2HD1      ILE  39   1.707  -4.231   0.537
  309   3HD1  ILE  39          3HD1      ILE  39   1.982  -4.757  -1.123
  310    H    GLU  40           H        GLU  40  -2.497  -3.045  -1.702
  311    HA   GLU  40           HA       GLU  40  -1.908  -2.398  -4.574
  312   1HB   GLU  40          2HB       GLU  40  -4.206  -1.781  -2.751
  313   2HB   GLU  40          1HB       GLU  40  -3.771  -0.591  -3.978
  314   1HG   GLU  40          2HG       GLU  40  -3.888  -2.406  -5.702
  315   2HG   GLU  40          1HG       GLU  40  -4.482  -3.499  -4.452
  316    H    ARG  41           H        ARG  41  -0.603  -0.604  -4.880
  317    HA   ARG  41           HA       ARG  41   0.271   0.870  -2.421
  318   1HB   ARG  41          2HB       ARG  41   1.660   0.580  -5.100
  319   2HB   ARG  41          1HB       ARG  41   2.372   1.137  -3.586
  320   1HG   ARG  41          2HG       ARG  41   2.983  -1.004  -3.218
  321   2HG   ARG  41          1HG       ARG  41   1.275  -1.345  -2.939
  322   1HD   ARG  41          2HD       ARG  41   1.736  -1.243  -5.778
  323   2HD   ARG  41          1HD       ARG  41   2.902  -2.356  -5.038
  324    HE   ARG  41           HE       ARG  41   0.531  -2.971  -3.756
  325   1HH1  ARG  41          2HH1      ARG  41  -0.323  -1.910  -6.619
  326   2HH1  ARG  41          1HH1      ARG  41  -0.613  -3.431  -7.396
  327   1HH2  ARG  41          1HH2      ARG  41   0.966  -5.292  -4.934
  328   2HH2  ARG  41          2HH2      ARG  41   0.116  -5.344  -6.442
  329    H    GLY  42           H        GLY  42   1.256   3.152  -3.293
  330   1HA   GLY  42          2HA       GLY  42   0.646   4.776  -5.248
  331   2HA   GLY  42          1HA       GLY  42  -1.011   4.447  -4.735
  332    H    CYS  43           H        CYS  43  -0.445   7.020  -4.587
  333    HA   CYS  43           HA       CYS  43   0.150   7.514  -1.687
  334   1HB   CYS  43          2HB       CYS  43   0.788   9.327  -4.032
  335   2HB   CYS  43          1HB       CYS  43   1.335   9.507  -2.366
  336    H    ALA  44           H        ALA  44  -1.609   8.402  -0.681
  337    HA   ALA  44           HA       ALA  44  -3.339  10.302  -2.191
  338   1HB   ALA  44          1HB       ALA  44  -3.927   7.566  -1.598
  339   2HB   ALA  44          2HB       ALA  44  -4.976   8.758  -2.365
  340   3HB   ALA  44          3HB       ALA  44  -4.985   8.573  -0.611
  341    H    ALA  45           H        ALA  45  -5.297  10.606  -0.220
  342    HA   ALA  45           HA       ALA  45  -3.743  11.385   2.225
  343   1HB   ALA  45          1HB       ALA  45  -5.023  13.498   2.188
  344   2HB   ALA  45          2HB       ALA  45  -5.859  12.966   0.730
  345   3HB   ALA  45          3HB       ALA  45  -4.126  13.289   0.684
  346    H    THR  46           H        THR  46  -6.280   9.592   0.999
  347    HA   THR  46           HA       THR  46  -8.019   9.959   3.397
  348    HB   THR  46           HB       THR  46  -9.632   8.683   2.010
  349    HG1  THR  46           HG1      THR  46  -7.633   8.746   0.013
  350   1HG2  THR  46          1HG2      THR  46  -9.926  10.355   0.254
  351   2HG2  THR  46          2HG2      THR  46  -8.254  10.883   0.446
  352   3HG2  THR  46          3HG2      THR  46  -9.419  11.149   1.745
  353    H    CYS  47           H        CYS  47  -7.830   8.483   5.035
  354    HA   CYS  47           HA       CYS  47  -6.522   5.856   4.426
  355   1HB   CYS  47          2HB       CYS  47  -6.661   7.606   6.898
  356   2HB   CYS  47          1HB       CYS  47  -5.969   5.986   6.898
  357    HA   PRO  48           HA       PRO  48 -10.857   4.845   5.550
  358   1HB   PRO  48          2HB       PRO  48 -11.052   2.726   3.828
  359   2HB   PRO  48          1HB       PRO  48 -11.366   4.402   3.336
  360   1HG   PRO  48          2HG       PRO  48  -8.949   2.724   2.903
  361   2HG   PRO  48          1HG       PRO  48  -9.710   3.909   1.830
  362   1HD   PRO  48          2HD       PRO  48  -7.463   4.415   3.304
  363   2HD   PRO  48          1HD       PRO  48  -8.607   5.670   2.778
  364    H    LYS  49           H        LYS  49 -11.620   2.316   5.918
  365    HA   LYS  49           HA       LYS  49  -9.378   0.917   7.334
  366   1HB   LYS  49          2HB       LYS  49 -11.855   2.135   8.322
  367   2HB   LYS  49          1HB       LYS  49 -11.679   0.454   8.823
  368   1HG   LYS  49          2HG       LYS  49 -10.051   0.982  10.289
  369   2HG   LYS  49          1HG       LYS  49  -9.161   1.885   9.062
  370   1HD   LYS  49          2HD       LYS  49  -9.776   3.427  10.826
  371   2HD   LYS  49          1HD       LYS  49 -10.758   3.796   9.409
  372   1HE   LYS  49          2HE       LYS  49 -12.696   2.795  10.347
  373   2HE   LYS  49          1HE       LYS  49 -11.752   1.925  11.572
  374   1HZ   LYS  49          1HZ       LYS  49 -12.243   4.840  11.376
  375   2HZ   LYS  49          2HZ       LYS  49 -10.983   4.200  12.318
  376   3HZ   LYS  49          3HZ       LYS  49 -12.598   3.806  12.672
  377    H    GLY  50           H        GLY  50 -10.751  -1.289   8.224
  378   1HA   GLY  50          2HA       GLY  50 -12.247  -2.390   5.906
  379   2HA   GLY  50          1HA       GLY  50 -10.781  -3.229   6.415
  380    H    SER  51           H        SER  51 -11.912  -5.116   7.079
  381    HA   SER  51           HA       SER  51 -13.612  -4.749   9.528
  382   1HB   SER  51          2HB       SER  51 -14.561  -5.565   7.204
  383   2HB   SER  51          1HB       SER  51 -13.823  -7.097   7.663
  384    HG   SER  51           HG       SER  51 -15.567  -7.355   8.801
  385    H    VAL  52           H        VAL  52 -13.728  -7.231  10.516
  386    HA   VAL  52           HA       VAL  52 -11.300  -7.727  11.828
  387    HB   VAL  52           HB       VAL  52 -12.355 -10.061  12.105
  388   1HG1  VAL  52          1HG1      VAL  52 -13.225  -7.442  12.983
  389   2HG1  VAL  52          2HG1      VAL  52 -13.189  -8.957  13.884
  390   3HG1  VAL  52          3HG1      VAL  52 -14.596  -8.548  12.901
  391   1HG2  VAL  52          1HG2      VAL  52 -14.406 -10.528  11.081
  392   2HG2  VAL  52          2HG2      VAL  52 -13.551  -9.680   9.792
  393   3HG2  VAL  52          3HG2      VAL  52 -14.749  -8.826  10.767
  394    H    TYR  53           H        TYR  53 -12.197  -8.535   8.568
  395    HA   TYR  53           HA       TYR  53  -9.529  -9.398   7.881
  396   1HB   TYR  53          2HB       TYR  53 -11.472 -11.334   8.918
  397   2HB   TYR  53          1HB       TYR  53 -10.827 -11.796   7.343
  398    HD1  TYR  53           HD1      TYR  53 -10.340 -12.599  10.538
  399    HD2  TYR  53           HD2      TYR  53  -8.112 -10.758   7.360
  400    HE1  TYR  53           HE1      TYR  53  -8.220 -13.310  11.612
  401    HE2  TYR  53           HE2      TYR  53  -5.993 -11.470   8.434
  402    HH   TYR  53           HH       TYR  53  -5.699 -13.780  10.565
  403    H    GLY  54           H        GLY  54 -10.693  -7.565   6.479
  404   1HA   GLY  54          2HA       GLY  54 -11.908  -8.940   4.115
  405   2HA   GLY  54          1HA       GLY  54 -12.482  -7.365   4.665
  406    H    LEU  55           H        LEU  55 -10.261  -5.919   5.121
  407    HA   LEU  55           HA       LEU  55  -8.345  -6.228   2.894
  408   1HB   LEU  55          2HB       LEU  55  -9.013  -4.147   1.826
  409   2HB   LEU  55          1HB       LEU  55 -10.444  -5.167   1.982
  410    HG   LEU  55           HG       LEU  55 -10.090  -3.580   4.373
  411   1HD1  LEU  55          1HD1      LEU  55 -10.476  -1.363   3.381
  412   2HD1  LEU  55          2HD1      LEU  55 -10.336  -2.052   1.764
  413   3HD1  LEU  55          3HD1      LEU  55  -8.934  -2.020   2.833
  414   1HD2  LEU  55          1HD2      LEU  55 -12.250  -4.346   4.024
  415   2HD2  LEU  55          2HD2      LEU  55 -12.162  -4.110   2.278
  416   3HD2  LEU  55          3HD2      LEU  55 -12.394  -2.725   3.345
  417    H    TYR  56           H        TYR  56  -6.563  -4.671   3.091
  418    HA   TYR  56           HA       TYR  56  -6.363  -3.493   5.844
  419   1HB   TYR  56          2HB       TYR  56  -4.888  -5.477   4.730
  420   2HB   TYR  56          1HB       TYR  56  -3.948  -4.078   4.209
  421    HD1  TYR  56           HD1      TYR  56  -5.427  -5.740   7.201
  422    HD2  TYR  56           HD2      TYR  56  -2.572  -2.887   5.732
  423    HE1  TYR  56           HE1      TYR  56  -4.447  -5.551   9.472
  424    HE2  TYR  56           HE2      TYR  56  -1.592  -2.698   8.002
  425    HH   TYR  56           HH       TYR  56  -2.666  -4.785  10.647
  426    H    VAL  57           H        VAL  57  -5.078  -1.473   5.967
  427    HA   VAL  57           HA       VAL  57  -4.456  -0.032   3.486
  428    HB   VAL  57           HB       VAL  57  -6.902   0.164   3.634
  429   1HG1  VAL  57          1HG1      VAL  57  -6.516   0.070   6.347
  430   2HG1  VAL  57          2HG1      VAL  57  -8.020   0.571   5.573
  431   3HG1  VAL  57          3HG1      VAL  57  -6.853   1.783   6.101
  432   1HG2  VAL  57          1HG2      VAL  57  -5.140   2.223   3.283
  433   2HG2  VAL  57          2HG2      VAL  57  -6.134   2.855   4.596
  434   3HG2  VAL  57          3HG2      VAL  57  -6.884   2.376   3.073
  435    H    LEU  58           H        LEU  58  -2.481   0.741   4.165
  436    HA   LEU  58           HA       LEU  58  -2.358   2.090   6.847
  437   1HB   LEU  58          2HB       LEU  58  -1.029  -0.141   6.005
  438   2HB   LEU  58          1HB       LEU  58   0.119   1.116   5.546
  439    HG   LEU  58           HG       LEU  58  -1.026   1.527   8.214
  440   1HD1  LEU  58          1HD1      LEU  58   0.792  -0.372   8.915
  441   2HD1  LEU  58          2HD1      LEU  58   0.119  -1.098   7.456
  442   3HD1  LEU  58          3HD1      LEU  58  -0.941  -0.678   8.802
  443   1HD2  LEU  58          1HD2      LEU  58   1.101   2.326   8.650
  444   2HD2  LEU  58          2HD2      LEU  58   1.093   2.484   6.894
  445   3HD2  LEU  58          3HD2      LEU  58   1.880   1.099   7.652
  446    H    CYS  59           H        CYS  59  -1.452   4.168   6.877
  447    HA   CYS  59           HA       CYS  59  -0.732   5.325   4.205
  448   1HB   CYS  59          2HB       CYS  59  -1.639   6.746   6.724
  449   2HB   CYS  59          1HB       CYS  59  -1.599   7.394   5.084
  450    H    CYS  60           H        CYS  60   1.204   6.516   4.037
  451    HA   CYS  60           HA       CYS  60   2.821   7.100   6.430
  452   1HB   CYS  60          2HB       CYS  60   3.092   4.669   4.866
  453   2HB   CYS  60          1HB       CYS  60   4.568   5.625   4.792
  454    H    THR  61           H        THR  61   5.289   7.327   5.038
  455    HA   THR  61           HA       THR  61   4.772   9.076   2.722
  456    HB   THR  61           HB       THR  61   4.589  10.419   4.831
  457    HG1  THR  61           HG1      THR  61   6.987  11.216   3.665
  458   1HG2  THR  61          1HG2      THR  61   6.654   8.824   5.695
  459   2HG2  THR  61          2HG2      THR  61   6.155  10.330   6.466
  460   3HG2  THR  61          3HG2      THR  61   7.488  10.330   5.311
  461    H    THR  62           H        THR  62   7.013   9.874   1.871
  462    HA   THR  62           HA       THR  62   9.026   9.137   0.862
  463    HB   THR  62           HB       THR  62  10.638   8.424   2.749
  464    HG1  THR  62           HG1      THR  62   9.427   9.190   4.801
  465   1HG2  THR  62          1HG2      THR  62  11.032  10.633   3.023
  466   2HG2  THR  62          2HG2      THR  62   9.427  10.920   3.697
  467   3HG2  THR  62          3HG2      THR  62   9.655  10.878   1.949
  468    H    ASP  63           H        ASP  63  10.727   7.029   1.435
  469    HA   ASP  63           HA       ASP  63   9.682   4.828   0.069
  470   1HB   ASP  63          2HB       ASP  63  12.073   5.428   0.761
  471   2HB   ASP  63          1HB       ASP  63  11.707   4.663   2.308
  472    H    ASP  64           H        ASP  64   7.781   3.832   0.656
  473    HA   ASP  64           HA       ASP  64   6.264   2.560   1.954
  474   1HB   ASP  64          2HB       ASP  64   9.026   1.931   2.819
  475   2HB   ASP  64          1HB       ASP  64   7.750   1.404   3.918
  476    H    CYS  65           H        CYS  65   8.506   3.542   4.592
  477    HA   CYS  65           HA       CYS  65   6.396   5.318   5.707
  478   1HB   CYS  65          2HB       CYS  65   7.453   2.733   6.815
  479   2HB   CYS  65          1HB       CYS  65   6.997   4.013   7.938
  480    H    ASN  66           HN       ASN  66   9.273   5.380   4.579
  481    HA   ASN  66           HA       ASN  66  11.329   5.836   6.326
  482   1HB   ASN  66          2HB       ASN  66  10.413   6.835   3.763
  483   2HB   ASN  66          1HB       ASN  66  11.295   8.091   4.629
  484   1HD2  ASN  66          1HD2      ASN  66  12.378   6.849   2.281
  485   2HD2  ASN  66          2HD2      ASN  66  13.738   5.941   2.736
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1  12.889  12.166  -1.134
    2   2H    MET   1          2H        MET   1  12.577  12.768  -2.691
    3   3H    MET   1          3H        MET   1  12.852  11.107  -2.458
    4    HA   MET   1           HA       MET   1  10.775  11.468  -0.814
    5   1HB   MET   1          2HB       MET   1  10.964  13.898  -1.753
    6   2HB   MET   1          1HB       MET   1  10.205  13.224  -3.196
    7   1HG   MET   1          2HG       MET   1   8.252  13.654  -2.117
    8   2HG   MET   1          1HG       MET   1   8.624  12.188  -1.207
    9   1HE   MET   1          1HE       MET   1   9.555  12.031   1.061
   10   2HE   MET   1          2HE       MET   1   7.834  12.401   1.091
   11   3HE   MET   1          3HE       MET   1   8.913  13.179   2.245
   12    H    LYS   2           H        LYS   2  11.320   9.225  -1.780
   13    HA   LYS   2           HA       LYS   2   9.591   8.754  -4.189
   14   1HB   LYS   2          2HB       LYS   2  12.156   7.318  -3.435
   15   2HB   LYS   2          1HB       LYS   2  11.250   7.144  -4.938
   16   1HG   LYS   2          2HG       LYS   2  11.927   9.217  -5.748
   17   2HG   LYS   2          1HG       LYS   2  12.224   9.866  -4.135
   18   1HD   LYS   2          2HD       LYS   2  14.236   8.580  -3.893
   19   2HD   LYS   2          1HD       LYS   2  13.880   7.639  -5.341
   20   1HE   LYS   2          2HE       LYS   2  14.425   9.405  -6.784
   21   2HE   LYS   2          1HE       LYS   2  14.152  10.636  -5.535
   22   1HZ   LYS   2          1HZ       LYS   2  16.006   9.207  -4.335
   23   2HZ   LYS   2          2HZ       LYS   2  16.401  10.485  -5.383
   24   3HZ   LYS   2          3HZ       LYS   2  16.455   8.880  -5.938
   25    H    CYS   3           H        CYS   3   8.812   6.423  -4.249
   26    HA   CYS   3           HA       CYS   3   8.699   5.145  -1.548
   27   1HB   CYS   3          2HB       CYS   3   6.734   6.779  -2.420
   28   2HB   CYS   3          1HB       CYS   3   6.202   5.277  -3.173
   29    H    LYS   4           H        LYS   4   9.017   2.953  -1.744
   30    HA   LYS   4           HA       LYS   4   9.163   1.756  -4.439
   31   1HB   LYS   4          2HB       LYS   4  10.827   1.472  -2.528
   32   2HB   LYS   4          1HB       LYS   4   9.605   0.490  -1.721
   33   1HG   LYS   4          2HG       LYS   4   9.861  -1.262  -3.167
   34   2HG   LYS   4          1HG       LYS   4  10.163  -0.210  -4.549
   35   1HD   LYS   4          2HD       LYS   4  12.420  -0.156  -4.187
   36   2HD   LYS   4          1HD       LYS   4  12.239  -0.180  -2.433
   37   1HE   LYS   4          2HE       LYS   4  11.538  -2.620  -2.644
   38   2HE   LYS   4          1HE       LYS   4  12.068  -2.535  -4.336
   39   1HZ   LYS   4          1HZ       LYS   4  13.979  -3.170  -3.178
   40   2HZ   LYS   4          2HZ       LYS   4  13.669  -2.113  -1.884
   41   3HZ   LYS   4          3HZ       LYS   4  14.175  -1.498  -3.385
   42    H    ILE   5           H        ILE   5   7.559   0.480  -5.294
   43    HA   ILE   5           HA       ILE   5   5.406  -0.494  -3.441
   44    HB   ILE   5           HB       ILE   5   5.319   0.730  -6.208
   45   1HG1  ILE   5          2HG1      ILE   5   3.350   1.676  -4.346
   46   2HG1  ILE   5          1HG1      ILE   5   4.926   1.695  -3.553
   47   1HG2  ILE   5          1HG2      ILE   5   3.840  -1.169  -6.317
   48   2HG2  ILE   5          2HG2      ILE   5   2.833   0.257  -6.066
   49   3HG2  ILE   5          3HG2      ILE   5   3.187  -0.822  -4.716
   50   1HD1  ILE   5          1HD1      ILE   5   3.914   3.443  -5.630
   51   2HD1  ILE   5          2HD1      ILE   5   5.399   2.650  -6.154
   52   3HD1  ILE   5          3HD1      ILE   5   5.382   3.597  -4.667
   53    H    CYS   6           H        CYS   6   4.531  -2.574  -3.962
   54    HA   CYS   6           HA       CYS   6   5.399  -4.083  -6.296
   55   1HB   CYS   6          2HB       CYS   6   6.750  -5.706  -4.865
   56   2HB   CYS   6          1HB       CYS   6   7.488  -4.122  -5.101
   57    H    ASN   7           H        ASN   7   4.367  -6.201  -6.343
   58    HA   ASN   7           HA       ASN   7   2.546  -6.842  -4.073
   59   1HB   ASN   7          2HB       ASN   7   0.641  -6.931  -5.631
   60   2HB   ASN   7          1HB       ASN   7   1.376  -5.329  -5.660
   61   1HD2  ASN   7          1HD2      ASN   7   1.614  -4.560  -7.755
   62   2HD2  ASN   7          2HD2      ASN   7   1.929  -5.518  -9.121
   63    H    PHE   8           H        PHE   8   1.110  -8.712  -5.927
   64    HA   PHE   8           HA       PHE   8   1.330 -10.916  -6.757
   65   1HB   PHE   8          2HB       PHE   8   3.308  -9.539  -7.889
   66   2HB   PHE   8          1HB       PHE   8   4.304 -10.556  -6.847
   67    HD1  PHE   8           HD1      PHE   8   1.098 -11.241  -8.664
   68    HD2  PHE   8           HD2      PHE   8   5.243 -12.252  -8.163
   69    HE1  PHE   8           HE1      PHE   8   0.828 -13.132 -10.246
   70    HE2  PHE   8           HE2      PHE   8   4.973 -14.143  -9.745
   71    HZ   PHE   8           HZ       PHE   8   2.766 -14.582 -10.786
   72    H    ASP   9           H        ASP   9   0.964 -10.906  -4.137
   73    HA   ASP   9           HA       ASP   9   1.233 -12.358  -2.285
   74   1HB   ASP   9          2HB       ASP   9   2.128 -13.811  -4.281
   75   2HB   ASP   9          1HB       ASP   9   3.708 -13.467  -3.578
   76    H    THR  10           H        THR  10   4.279 -10.949  -3.565
   77    HA   THR  10           HA       THR  10   4.844  -9.928  -0.833
   78    HB   THR  10           HB       THR  10   5.934 -12.070  -0.852
   79    HG1  THR  10           HG1      THR  10   7.881 -11.356  -0.375
   80   1HG2  THR  10          1HG2      THR  10   7.756 -12.035  -2.961
   81   2HG2  THR  10          2HG2      THR  10   6.261 -11.433  -3.677
   82   3HG2  THR  10          3HG2      THR  10   6.285 -13.003  -2.873
   83    H    CYS  11           H        CYS  11   7.491  -9.086  -1.428
   84    HA   CYS  11           HA       CYS  11   6.911  -6.892  -3.360
   85   1HB   CYS  11          2HB       CYS  11   7.715  -6.707  -0.873
   86   2HB   CYS  11          1HB       CYS  11   9.298  -7.111  -1.537
   87    H    ARG  12           H        ARG  12   7.305  -8.755  -5.061
   88    HA   ARG  12           HA       ARG  12  10.220  -9.197  -5.531
   89   1HB   ARG  12          2HB       ARG  12   7.648 -10.543  -6.176
   90   2HB   ARG  12          1HB       ARG  12   8.913 -10.668  -7.398
   91   1HG   ARG  12          2HG       ARG  12   9.934 -11.096  -4.691
   92   2HG   ARG  12          1HG       ARG  12   8.687 -12.263  -5.134
   93   1HD   ARG  12          2HD       ARG  12   9.926 -12.765  -7.238
   94   2HD   ARG  12          1HD       ARG  12  11.206 -11.649  -6.722
   95    HE   ARG  12           HE       ARG  12  11.037 -13.222  -4.535
   96   1HH1  ARG  12          2HH1      ARG  12   9.628 -15.309  -6.184
   97   2HH1  ARG  12          1HH1      ARG  12  10.951 -16.287  -6.725
   98   1HH2  ARG  12          1HH2      ARG  12  13.363 -13.914  -5.964
   99   2HH2  ARG  12          2HH2      ARG  12  13.067 -15.498  -6.600
  100    H    ALA  13           H        ALA  13   7.715  -7.127  -6.467
  101    HA   ALA  13           HA       ALA  13   8.433  -6.813  -9.283
  102   1HB   ALA  13          1HB       ALA  13   6.558  -5.695  -7.278
  103   2HB   ALA  13          2HB       ALA  13   6.266  -6.146  -8.958
  104   3HB   ALA  13          3HB       ALA  13   7.012  -4.593  -8.578
  105    H    GLY  14           H        GLY  14   8.681  -4.592  -6.471
  106   1HA   GLY  14          2HA       GLY  14  10.457  -3.140  -5.895
  107   2HA   GLY  14          1HA       GLY  14  11.390  -3.803  -7.239
  108    H    GLU  15           H        GLU  15   8.148  -2.356  -7.378
  109    HA   GLU  15           HA       GLU  15   9.148  -0.477  -9.456
  110   1HB   GLU  15          2HB       GLU  15   6.812  -2.025  -8.976
  111   2HB   GLU  15          1HB       GLU  15   6.324  -0.332  -8.907
  112   1HG   GLU  15          2HG       GLU  15   7.866  -0.176 -11.076
  113   2HG   GLU  15          1HG       GLU  15   7.456  -1.886 -11.194
  114    H    LEU  16           H        LEU  16  10.126   1.216  -8.259
  115    HA   LEU  16           HA       LEU  16   8.509   2.508  -6.108
  116   1HB   LEU  16          2HB       LEU  16  10.756   1.943  -5.489
  117   2HB   LEU  16          1HB       LEU  16  11.405   2.612  -6.987
  118    HG   LEU  16           HG       LEU  16   9.821   4.529  -5.414
  119   1HD1  LEU  16          1HD1      LEU  16  11.007   3.117  -3.655
  120   2HD1  LEU  16          2HD1      LEU  16  11.399   4.836  -3.637
  121   3HD1  LEU  16          3HD1      LEU  16  12.525   3.681  -4.352
  122   1HD2  LEU  16          1HD2      LEU  16  12.612   5.152  -5.987
  123   2HD2  LEU  16          2HD2      LEU  16  11.150   5.953  -6.561
  124   3HD2  LEU  16          3HD2      LEU  16  11.775   4.542  -7.414
  125    H    LYS  17           H        LYS  17   8.146   4.818  -6.200
  126    HA   LYS  17           HA       LYS  17   8.802   6.241  -8.714
  127   1HB   LYS  17          2HB       LYS  17   6.336   4.887  -8.216
  128   2HB   LYS  17          1HB       LYS  17   6.013   6.621  -8.176
  129   1HG   LYS  17          2HG       LYS  17   6.190   6.743 -10.413
  130   2HG   LYS  17          1HG       LYS  17   7.808   6.043 -10.348
  131   1HD   LYS  17          2HD       LYS  17   6.811   4.348 -11.518
  132   2HD   LYS  17          1HD       LYS  17   6.329   3.820  -9.905
  133   1HE   LYS  17          2HE       LYS  17   4.318   3.827 -11.231
  134   2HE   LYS  17          1HE       LYS  17   4.234   5.287 -10.225
  135   1HZ   LYS  17          1HZ       LYS  17   3.930   5.462 -12.799
  136   2HZ   LYS  17          2HZ       LYS  17   5.630   5.411 -12.807
  137   3HZ   LYS  17          3HZ       LYS  17   4.817   6.641 -11.962
  138    H    VAL  18           H        VAL  18   7.127   8.435  -8.346
  139    HA   VAL  18           HA       VAL  18   7.911   9.429  -5.626
  140    HB   VAL  18           HB       VAL  18   8.139  11.633  -6.898
  141   1HG1  VAL  18          1HG1      VAL  18  10.340  10.976  -7.876
  142   2HG1  VAL  18          2HG1      VAL  18   9.897   9.283  -7.662
  143   3HG1  VAL  18          3HG1      VAL  18  10.102  10.325  -6.255
  144   1HG2  VAL  18          1HG2      VAL  18   6.860  10.237  -8.893
  145   2HG2  VAL  18          2HG2      VAL  18   8.542  10.159  -9.416
  146   3HG2  VAL  18          3HG2      VAL  18   7.775  11.723  -9.141
  147    H    CYS  19           H        CYS  19   6.346  10.681  -4.547
  148    HA   CYS  19           HA       CYS  19   3.957  11.691  -5.876
  149   1HB   CYS  19          2HB       CYS  19   2.400  10.097  -4.846
  150   2HB   CYS  19          1HB       CYS  19   3.585   9.225  -5.817
  151    H    ALA  20           H        ALA  20   5.532  10.730  -2.839
  152    HA   ALA  20           HA       ALA  20   3.907  12.379  -1.109
  153   1HB   ALA  20          1HB       ALA  20   5.258  10.416  -0.413
  154   2HB   ALA  20          2HB       ALA  20   5.701  11.856   0.504
  155   3HB   ALA  20          3HB       ALA  20   6.731  11.300  -0.815
  156    H    SER  21           H        SER  21   4.342  14.149  -3.073
  157    HA   SER  21           HA       SER  21   6.766  15.758  -2.509
  158   1HB   SER  21          2HB       SER  21   6.181  15.466  -4.811
  159   2HB   SER  21          1HB       SER  21   4.490  15.847  -4.501
  160    HG   SER  21           HG       SER  21   5.149  17.767  -5.115
  161    H    GLY  22           H        GLY  22   3.350  15.717  -1.774
  162   1HA   GLY  22          2HA       GLY  22   3.719  18.239  -0.227
  163   2HA   GLY  22          1HA       GLY  22   2.314  18.069  -1.281
  164    H    GLU  23           H        GLU  23   0.765  16.352  -0.768
  165    HA   GLU  23           HA       GLU  23   0.947  15.371   2.060
  166   1HB   GLU  23          2HB       GLU  23  -1.451  15.967   2.266
  167   2HB   GLU  23          1HB       GLU  23  -0.474  17.383   1.877
  168   1HG   GLU  23          2HG       GLU  23  -1.205  16.166  -0.589
  169   2HG   GLU  23          1HG       GLU  23  -2.665  16.274   0.395
  170    H    LYS  24           H        LYS  24   1.668  13.386   0.751
  171    HA   LYS  24           HA       LYS  24  -0.729  11.735   0.140
  172   1HB   LYS  24          2HB       LYS  24   1.607  12.262  -1.726
  173   2HB   LYS  24          1HB       LYS  24   0.370  11.036  -2.007
  174   1HG   LYS  24          2HG       LYS  24  -1.371  12.797  -1.969
  175   2HG   LYS  24          1HG       LYS  24  -0.120  14.017  -1.728
  176   1HD   LYS  24          2HD       LYS  24   0.661  12.412  -3.952
  177   2HD   LYS  24          1HD       LYS  24  -1.024  12.873  -4.192
  178   1HE   LYS  24          2HE       LYS  24  -0.452  15.242  -3.841
  179   2HE   LYS  24          1HE       LYS  24   1.242  14.798  -3.555
  180   1HZ   LYS  24          1HZ       LYS  24  -0.302  14.728  -6.040
  181   2HZ   LYS  24          2HZ       LYS  24   0.847  13.500  -5.800
  182   3HZ   LYS  24          3HZ       LYS  24   1.328  15.129  -5.793
  183    H    TYR  25           H        TYR  25  -0.223  10.408   1.948
  184    HA   TYR  25           HA       TYR  25   2.483   9.312   2.297
  185   1HB   TYR  25          2HB       TYR  25  -0.153   8.596   3.620
  186   2HB   TYR  25          1HB       TYR  25   1.461   8.268   4.248
  187    HD1  TYR  25           HD1      TYR  25   2.624  10.986   3.254
  188    HD2  TYR  25           HD2      TYR  25  -0.852   9.930   5.545
  189    HE1  TYR  25           HE1      TYR  25   2.661  13.216   4.338
  190    HE2  TYR  25           HE2      TYR  25  -0.816  12.162   6.629
  191    HH   TYR  25           HH       TYR  25   1.861  14.313   6.311
  192    H    CYS  26           H        CYS  26   3.107   7.191   1.753
  193    HA   CYS  26           HA       CYS  26   1.740   5.845  -0.375
  194   1HB   CYS  26          2HB       CYS  26   4.108   5.562   1.296
  195   2HB   CYS  26          1HB       CYS  26   3.381   3.994   0.953
  196    H    PHE  27           H        PHE  27  -0.390   5.239   0.102
  197    HA   PHE  27           HA       PHE  27  -1.073   3.974   2.658
  198   1HB   PHE  27          2HB       PHE  27  -3.297   4.183   1.855
  199   2HB   PHE  27          1HB       PHE  27  -2.457   5.580   1.187
  200    HD1  PHE  27           HD1      PHE  27  -1.851   5.672  -1.196
  201    HD2  PHE  27           HD2      PHE  27  -3.995   2.330   0.443
  202    HE1  PHE  27           HE1      PHE  27  -2.440   4.927  -3.486
  203    HE2  PHE  27           HE2      PHE  27  -4.583   1.584  -1.848
  204    HZ   PHE  27           HZ       PHE  27  -3.806   2.882  -3.813
  205    H    LYS  28           H        LYS  28  -0.744   1.834   3.013
  206    HA   LYS  28           HA       LYS  28  -0.336  -0.013   0.739
  207   1HB   LYS  28          2HB       LYS  28   1.026   0.171   2.933
  208   2HB   LYS  28          1HB       LYS  28  -0.341  -0.643   3.696
  209   1HG   LYS  28          2HG       LYS  28   0.672  -1.866   1.186
  210   2HG   LYS  28          1HG       LYS  28   1.731  -1.985   2.593
  211   1HD   LYS  28          2HD       LYS  28  -1.191  -2.646   2.860
  212   2HD   LYS  28          1HD       LYS  28  -0.076  -3.843   2.200
  213   1HE   LYS  28          2HE       LYS  28   1.137  -2.685   4.531
  214   2HE   LYS  28          1HE       LYS  28  -0.505  -3.216   4.946
  215   1HZ   LYS  28          1HZ       LYS  28   1.688  -4.795   3.744
  216   2HZ   LYS  28          2HZ       LYS  28   0.067  -5.276   3.579
  217   3HZ   LYS  28          3HZ       LYS  28   0.766  -5.149   5.123
  218    H    GLU  29           H        GLU  29  -2.276  -0.674  -0.160
  219    HA   GLU  29           HA       GLU  29  -4.535  -1.344   1.682
  220   1HB   GLU  29          2HB       GLU  29  -4.674   0.357  -0.243
  221   2HB   GLU  29          1HB       GLU  29  -4.586  -1.034  -1.324
  222   1HG   GLU  29          2HG       GLU  29  -6.560  -2.020  -0.163
  223   2HG   GLU  29          1HG       GLU  29  -6.677  -0.561   0.821
  224    H    SER  30           H        SER  30  -4.335  -3.510   2.225
  225    HA   SER  30           HA       SER  30  -3.737  -5.449   0.016
  226   1HB   SER  30          2HB       SER  30  -2.199  -5.258   2.016
  227   2HB   SER  30          1HB       SER  30  -3.537  -5.798   3.024
  228    HG   SER  30           HG       SER  30  -2.591  -7.219   0.759
  229    H    TRP  31           H        TRP  31  -5.650  -6.305  -0.731
  230    HA   TRP  31           HA       TRP  31  -8.025  -6.478   0.993
  231   1HB   TRP  31          2HB       TRP  31  -7.359  -6.374  -1.785
  232   2HB   TRP  31          1HB       TRP  31  -8.293  -7.844  -1.509
  233    HD1  TRP  31           HD1      TRP  31 -10.280  -6.994   0.671
  234    HE1  TRP  31           HE1      TRP  31 -12.100  -5.226   0.217
  235    HE3  TRP  31           HE3      TRP  31  -8.207  -4.596  -3.336
  236    HZ2  TRP  31           HZ2      TRP  31 -12.611  -3.081  -1.602
  237    HZ3  TRP  31           HZ3      TRP  31  -9.383  -2.694  -4.408
  238    HH2  TRP  31           HH2      TRP  31 -11.580  -1.936  -3.547
  239    H    ARG  32           H        ARG  32  -8.728  -8.327   2.015
  240    HA   ARG  32           HA       ARG  32  -7.221 -10.868   1.473
  241   1HB   ARG  32          2HB       ARG  32  -7.094  -9.425   3.712
  242   2HB   ARG  32          1HB       ARG  32  -8.594 -10.281   4.072
  243   1HG   ARG  32          2HG       ARG  32  -6.905 -12.268   3.082
  244   2HG   ARG  32          1HG       ARG  32  -5.854 -11.276   4.092
  245   1HD   ARG  32          2HD       ARG  32  -8.547 -12.344   5.009
  246   2HD   ARG  32          1HD       ARG  32  -6.991 -13.109   5.385
  247    HE   ARG  32           HE       ARG  32  -6.502 -10.554   6.160
  248   1HH1  ARG  32          1HH2      ARG  32  -9.481 -10.126   6.340
  249   2HH1  ARG  32          2HH2      ARG  32  -9.797 -10.532   7.994
  250   1HH2  ARG  32          2HH1      ARG  32  -6.775 -12.168   8.449
  251   2HH2  ARG  32          1HH1      ARG  32  -8.266 -11.688   9.188
  252    H    GLU  33           H        GLU  33  -8.526 -12.855   1.856
  253    HA   GLU  33           HA       GLU  33 -11.454 -12.589   2.024
  254   1HB   GLU  33          2HB       GLU  33 -11.150 -12.052  -0.291
  255   2HB   GLU  33          1HB       GLU  33  -9.958 -13.333  -0.501
  256   1HG   GLU  33          2HG       GLU  33 -11.587 -14.789  -1.026
  257   2HG   GLU  33          1HG       GLU  33 -12.369 -14.492   0.528
  258    H    ALA  34           H        ALA  34  -9.529 -15.062   0.365
  259    HA   ALA  34           HA       ALA  34  -9.105 -16.876   2.494
  260   1HB   ALA  34          1HB       ALA  34 -11.850 -16.856   1.246
  261   2HB   ALA  34          2HB       ALA  34 -11.416 -16.942   2.954
  262   3HB   ALA  34          3HB       ALA  34 -11.191 -18.348   1.913
  263    H    ARG  35           H        ARG  35  -9.970 -16.386  -0.880
  264    HA   ARG  35           HA       ARG  35  -8.594 -18.932  -1.636
  265   1HB   ARG  35          2HB       ARG  35 -10.552 -17.044  -2.953
  266   2HB   ARG  35          1HB       ARG  35  -9.694 -18.269  -3.887
  267   1HG   ARG  35          2HG       ARG  35 -11.232 -18.955  -1.378
  268   2HG   ARG  35          1HG       ARG  35 -11.993 -18.944  -2.970
  269   1HD   ARG  35          2HD       ARG  35 -10.769 -20.781  -3.718
  270   2HD   ARG  35          1HD       ARG  35  -9.423 -20.461  -2.606
  271    HE   ARG  35           HE       ARG  35 -10.573 -21.728  -0.984
  272   1HH1  ARG  35          1HH2      ARG  35 -12.930 -19.971  -0.723
  273   2HH1  ARG  35          2HH2      ARG  35 -14.233 -20.990  -1.236
  274   1HH2  ARG  35          2HH1      ARG  35 -12.165 -23.297  -2.794
  275   2HH2  ARG  35          1HH1      ARG  35 -13.800 -22.873  -2.410
  276    H    GLY  36           H        GLY  36  -7.984 -15.632  -1.324
  277   1HA   GLY  36          2HA       GLY  36  -5.377 -15.724  -2.404
  278   2HA   GLY  36          1HA       GLY  36  -6.430 -15.095  -3.673
  279    H    THR  37           H        THR  37  -4.553 -13.363  -2.817
  280    HA   THR  37           HA       THR  37  -6.126 -11.424  -1.160
  281    HB   THR  37           HB       THR  37  -3.885 -10.829  -0.131
  282    HG1  THR  37           HG1      THR  37  -3.160 -13.223  -1.466
  283   1HG2  THR  37          1HG2      THR  37  -4.580 -13.737   0.291
  284   2HG2  THR  37          2HG2      THR  37  -5.630 -12.436   0.852
  285   3HG2  THR  37          3HG2      THR  37  -3.986 -12.575   1.477
  286    H    ARG  38           H        ARG  38  -5.455  -9.154  -1.568
  287    HA   ARG  38           HA       ARG  38  -4.058  -8.786  -4.198
  288   1HB   ARG  38          2HB       ARG  38  -6.788  -8.387  -3.504
  289   2HB   ARG  38          1HB       ARG  38  -6.073  -6.788  -3.713
  290   1HG   ARG  38          2HG       ARG  38  -6.011  -7.048  -5.946
  291   2HG   ARG  38          1HG       ARG  38  -5.128  -8.567  -5.784
  292   1HD   ARG  38          2HD       ARG  38  -7.093  -9.326  -6.793
  293   2HD   ARG  38          1HD       ARG  38  -7.543  -9.479  -5.082
  294    HE   ARG  38           HE       ARG  38  -8.085  -6.807  -5.948
  295   1HH1  ARG  38          2HH1      ARG  38  -9.296  -9.998  -5.702
  296   2HH1  ARG  38          1HH1      ARG  38 -10.869  -9.603  -6.309
  297   1HH2  ARG  38          1HH2      ARG  38 -10.064  -6.303  -7.006
  298   2HH2  ARG  38          2HH2      ARG  38 -11.305  -7.510  -7.045
  299    H    ILE  39           H        ILE  39  -2.134  -8.151  -2.988
  300    HA   ILE  39           HA       ILE  39  -2.296  -5.897  -1.105
  301    HB   ILE  39           HB       ILE  39  -0.745  -7.914  -0.994
  302   1HG1  ILE  39          2HG1      ILE  39   0.537  -5.163  -1.058
  303   2HG1  ILE  39          1HG1      ILE  39  -0.336  -5.854   0.310
  304   1HG2  ILE  39          1HG2      ILE  39  -0.221  -7.775  -3.483
  305   2HG2  ILE  39          2HG2      ILE  39   1.176  -7.982  -2.427
  306   3HG2  ILE  39          3HG2      ILE  39   0.808  -6.395  -3.103
  307   1HD1  ILE  39          1HD1      ILE  39   1.556  -6.855   0.994
  308   2HD1  ILE  39          2HD1      ILE  39   2.417  -6.213  -0.404
  309   3HD1  ILE  39          3HD1      ILE  39   1.600  -7.772  -0.511
  310    H    GLU  40           H        GLU  40  -2.336  -3.807  -1.831
  311    HA   GLU  40           HA       GLU  40  -0.652  -3.034  -4.148
  312   1HB   GLU  40          2HB       GLU  40  -3.524  -3.475  -4.190
  313   2HB   GLU  40          1HB       GLU  40  -3.140  -1.805  -4.609
  314   1HG   GLU  40          2HG       GLU  40  -2.517  -2.480  -6.661
  315   2HG   GLU  40          1HG       GLU  40  -1.246  -3.466  -5.936
  316    H    ARG  41           H        ARG  41   0.242  -1.043  -3.733
  317    HA   ARG  41           HA       ARG  41  -1.145   0.739  -1.757
  318   1HB   ARG  41          2HB       ARG  41   1.104   1.241  -0.867
  319   2HB   ARG  41          1HB       ARG  41   0.777  -0.491  -0.785
  320   1HG   ARG  41          2HG       ARG  41   1.975  -0.740  -2.992
  321   2HG   ARG  41          1HG       ARG  41   2.445   0.955  -2.861
  322   1HD   ARG  41          2HD       ARG  41   4.276   0.097  -1.775
  323   2HD   ARG  41          1HD       ARG  41   3.174   0.005  -0.387
  324    HE   ARG  41           HE       ARG  41   2.913  -2.292  -2.153
  325   1HH1  ARG  41          2HH1      ARG  41   5.537  -1.104  -0.428
  326   2HH1  ARG  41          1HH1      ARG  41   5.728  -2.498   0.582
  327   1HH2  ARG  41          1HH2      ARG  41   2.795  -4.006  -0.487
  328   2HH2  ARG  41          2HH2      ARG  41   4.177  -4.141   0.549
  329    H    GLY  42           H        GLY  42  -0.176   3.051  -1.944
  330   1HA   GLY  42          2HA       GLY  42   1.004   3.778  -4.511
  331   2HA   GLY  42          1HA       GLY  42  -0.698   4.225  -4.385
  332    H    CYS  43           H        CYS  43  -1.083   6.213  -3.546
  333    HA   CYS  43           HA       CYS  43   0.582   7.279  -1.358
  334   1HB   CYS  43          2HB       CYS  43   1.378   7.678  -3.968
  335   2HB   CYS  43          1HB       CYS  43   0.427   9.128  -3.648
  336    H    ALA  44           H        ALA  44  -1.338   7.560  -0.144
  337    HA   ALA  44           HA       ALA  44  -3.194   9.669  -1.178
  338   1HB   ALA  44          1HB       ALA  44  -4.897   8.079   0.166
  339   2HB   ALA  44          2HB       ALA  44  -3.709   6.863  -0.302
  340   3HB   ALA  44          3HB       ALA  44  -4.527   7.819  -1.539
  341    H    ALA  45           H        ALA  45  -4.779  10.149   0.878
  342    HA   ALA  45           HA       ALA  45  -3.148  10.216   3.380
  343   1HB   ALA  45          1HB       ALA  45  -3.631  12.361   1.527
  344   2HB   ALA  45          2HB       ALA  45  -2.714  12.406   3.033
  345   3HB   ALA  45          3HB       ALA  45  -4.447  12.730   3.046
  346    H    THR  46           H        THR  46  -5.920   9.224   2.067
  347    HA   THR  46           HA       THR  46  -7.790  10.289   4.108
  348    HB   THR  46           HB       THR  46  -9.055   8.347   2.547
  349    HG1  THR  46           HG1      THR  46  -7.545   9.888   0.771
  350   1HG2  THR  46          1HG2      THR  46 -10.373  10.123   2.106
  351   2HG2  THR  46          2HG2      THR  46  -9.051  11.002   1.336
  352   3HG2  THR  46          3HG2      THR  46  -9.252  11.067   3.086
  353    H    CYS  47           H        CYS  47  -6.179   7.264   3.202
  354    HA   CYS  47           HA       CYS  47  -6.240   5.127   4.221
  355   1HB   CYS  47          2HB       CYS  47  -5.950   6.862   6.675
  356   2HB   CYS  47          1HB       CYS  47  -5.160   5.336   6.310
  357    HA   PRO  48           HA       PRO  48 -10.565   5.264   5.712
  358   1HB   PRO  48          2HB       PRO  48 -11.351   3.022   4.359
  359   2HB   PRO  48          1HB       PRO  48 -11.336   4.635   3.622
  360   1HG   PRO  48          2HG       PRO  48  -9.397   2.404   3.333
  361   2HG   PRO  48          1HG       PRO  48  -9.951   3.582   2.135
  362   1HD   PRO  48          2HD       PRO  48  -7.538   3.722   3.438
  363   2HD   PRO  48          1HD       PRO  48  -8.381   5.121   2.738
  364    H    LYS  49           H        LYS  49 -11.758   2.800   6.254
  365    HA   LYS  49           HA       LYS  49  -9.890   1.664   8.296
  366   1HB   LYS  49          2HB       LYS  49 -12.916   1.583   8.045
  367   2HB   LYS  49          1HB       LYS  49 -11.978   1.028   9.433
  368   1HG   LYS  49          2HG       LYS  49 -12.154   3.869   8.388
  369   2HG   LYS  49          1HG       LYS  49 -12.816   3.262   9.905
  370   1HD   LYS  49          2HD       LYS  49 -10.198   2.494  10.125
  371   2HD   LYS  49          1HD       LYS  49 -10.040   4.006   9.229
  372   1HE   LYS  49          2HE       LYS  49 -10.827   5.285  10.983
  373   2HE   LYS  49          1HE       LYS  49 -11.900   4.001  11.572
  374   1HZ   LYS  49          1HZ       LYS  49  -8.965   3.671  11.608
  375   2HZ   LYS  49          2HZ       LYS  49 -10.138   2.842  12.516
  376   3HZ   LYS  49          3HZ       LYS  49  -9.761   4.457  12.883
  377    H    GLY  50           H        GLY  50 -11.959  -0.594   8.488
  378   1HA   GLY  50          2HA       GLY  50 -12.606  -2.442   6.963
  379   2HA   GLY  50          1HA       GLY  50 -11.142  -2.104   6.039
  380    H    SER  51           H        SER  51 -11.869  -4.657   7.229
  381    HA   SER  51           HA       SER  51  -9.388  -5.481   8.318
  382   1HB   SER  51          2HB       SER  51  -9.674  -4.189  10.242
  383   2HB   SER  51          1HB       SER  51 -11.425  -4.374  10.224
  384    HG   SER  51           HG       SER  51  -9.659  -6.544  10.655
  385    H    VAL  52           H        VAL  52 -12.370  -6.304   9.998
  386    HA   VAL  52           HA       VAL  52 -12.263  -9.057   9.795
  387    HB   VAL  52           HB       VAL  52 -14.775  -8.905   9.965
  388   1HG1  VAL  52          1HG1      VAL  52 -14.473  -6.972  11.883
  389   2HG1  VAL  52          2HG1      VAL  52 -12.801  -7.476  11.632
  390   3HG1  VAL  52          3HG1      VAL  52 -14.020  -8.662  12.100
  391   1HG2  VAL  52          1HG2      VAL  52 -15.164  -7.051   8.440
  392   2HG2  VAL  52          2HG2      VAL  52 -14.168  -5.982   9.427
  393   3HG2  VAL  52          3HG2      VAL  52 -15.709  -6.572  10.047
  394    H    TYR  53           H        TYR  53 -13.321  -6.790   7.285
  395    HA   TYR  53           HA       TYR  53 -14.267  -8.910   5.494
  396   1HB   TYR  53          2HB       TYR  53 -14.128  -5.970   5.642
  397   2HB   TYR  53          1HB       TYR  53 -13.948  -6.610   4.009
  398    HD1  TYR  53           HD1      TYR  53 -16.333  -5.188   5.833
  399    HD2  TYR  53           HD2      TYR  53 -15.596  -9.012   4.022
  400    HE1  TYR  53           HE1      TYR  53 -18.775  -5.607   5.726
  401    HE2  TYR  53           HE2      TYR  53 -18.039  -9.432   3.914
  402    HH   TYR  53           HH       TYR  53 -20.055  -8.707   4.543
  403    H    GLY  54           H        GLY  54 -11.302  -7.063   5.984
  404   1HA   GLY  54          2HA       GLY  54  -9.190  -8.178   5.261
  405   2HA   GLY  54          1HA       GLY  54 -10.041  -8.667   3.794
  406    H    LEU  55           H        LEU  55  -9.259  -5.665   5.585
  407    HA   LEU  55           HA       LEU  55  -8.482  -4.431   2.976
  408   1HB   LEU  55          2HB       LEU  55 -10.570  -3.595   4.970
  409   2HB   LEU  55          1HB       LEU  55  -9.727  -2.358   4.037
  410    HG   LEU  55           HG       LEU  55 -10.523  -4.530   2.306
  411   1HD1  LEU  55          1HD1      LEU  55 -12.470  -5.089   3.348
  412   2HD1  LEU  55          2HD1      LEU  55 -13.057  -3.571   2.669
  413   3HD1  LEU  55          3HD1      LEU  55 -12.476  -3.627   4.333
  414   1HD2  LEU  55          1HD2      LEU  55 -10.224  -1.745   2.263
  415   2HD2  LEU  55          2HD2      LEU  55 -11.948  -2.008   2.000
  416   3HD2  LEU  55          3HD2      LEU  55 -10.769  -2.757   0.926
  417    H    TYR  56           H        TYR  56  -6.281  -4.789   3.900
  418    HA   TYR  56           HA       TYR  56  -5.540  -3.409   6.377
  419   1HB   TYR  56          2HB       TYR  56  -4.502  -5.369   4.562
  420   2HB   TYR  56          1HB       TYR  56  -3.300  -4.091   4.742
  421    HD1  TYR  56           HD1      TYR  56  -5.512  -6.388   6.685
  422    HD2  TYR  56           HD2      TYR  56  -1.995  -3.921   6.705
  423    HE1  TYR  56           HE1      TYR  56  -4.903  -7.273   8.920
  424    HE2  TYR  56           HE2      TYR  56  -1.386  -4.807   8.941
  425    HH   TYR  56           HH       TYR  56  -3.509  -7.107  10.645
  426    H    VAL  57           H        VAL  57  -5.404  -1.189   6.360
  427    HA   VAL  57           HA       VAL  57  -4.290   0.127   3.901
  428    HB   VAL  57           HB       VAL  57  -6.656   0.609   4.352
  429   1HG1  VAL  57          1HG1      VAL  57  -7.407   0.726   6.469
  430   2HG1  VAL  57          2HG1      VAL  57  -6.406   2.149   6.757
  431   3HG1  VAL  57          3HG1      VAL  57  -5.755   0.538   7.055
  432   1HG2  VAL  57          1HG2      VAL  57  -4.571   2.724   4.707
  433   2HG2  VAL  57          2HG2      VAL  57  -6.255   3.177   4.973
  434   3HG2  VAL  57          3HG2      VAL  57  -5.754   2.522   3.414
  435    H    LEU  58           H        LEU  58  -2.149   0.544   4.399
  436    HA   LEU  58           HA       LEU  58  -1.580   1.814   7.065
  437   1HB   LEU  58          2HB       LEU  58  -0.465  -0.465   5.625
  438   2HB   LEU  58          1HB       LEU  58   0.783   0.709   6.044
  439    HG   LEU  58           HG       LEU  58  -1.183   0.128   8.182
  440   1HD1  LEU  58          1HD1      LEU  58   0.212  -1.958   8.770
  441   2HD1  LEU  58          2HD1      LEU  58   0.732  -1.934   7.085
  442   3HD1  LEU  58          3HD1      LEU  58  -0.976  -2.131   7.477
  443   1HD2  LEU  58          1HD2      LEU  58   1.848   0.158   8.159
  444   2HD2  LEU  58          2HD2      LEU  58   0.795   0.310   9.566
  445   3HD2  LEU  58          3HD2      LEU  58   0.858   1.604   8.368
  446    H    CYS  59           H        CYS  59  -1.471   4.004   6.501
  447    HA   CYS  59           HA       CYS  59  -0.142   4.827   3.993
  448   1HB   CYS  59          2HB       CYS  59  -1.380   6.396   6.276
  449   2HB   CYS  59          1HB       CYS  59  -0.917   7.057   4.708
  450    H    CYS  60           H        CYS  60   1.990   5.340   3.909
  451    HA   CYS  60           HA       CYS  60   3.400   5.980   6.484
  452   1HB   CYS  60          2HB       CYS  60   3.785   3.950   4.520
  453   2HB   CYS  60          1HB       CYS  60   5.125   5.068   4.382
  454    H    THR  61           H        THR  61   5.279   7.488   6.178
  455    HA   THR  61           HA       THR  61   5.301   9.047   3.682
  456    HB   THR  61           HB       THR  61   3.487   9.919   5.197
  457    HG1  THR  61           HG1      THR  61   5.662  11.706   4.903
  458   1HG2  THR  61          1HG2      THR  61   5.760  10.876   6.937
  459   2HG2  THR  61          2HG2      THR  61   4.885   9.385   7.282
  460   3HG2  THR  61          3HG2      THR  61   4.031  10.927   7.276
  461    H    THR  62           H        THR  62   7.214  10.301   3.440
  462    HA   THR  62           HA       THR  62   9.418  11.040   3.893
  463    HB   THR  62           HB       THR  62   9.265  10.017   6.688
  464    HG1  THR  62           HG1      THR  62   7.898  11.925   7.095
  465   1HG2  THR  62          1HG2      THR  62  10.864  11.784   5.323
  466   2HG2  THR  62          2HG2      THR  62  10.674  11.753   7.076
  467   3HG2  THR  62          3HG2      THR  62   9.712  12.867   6.104
  468    H    ASP  63           H        ASP  63  11.264   9.987   3.342
  469    HA   ASP  63           HA       ASP  63  12.699   8.170   2.831
  470   1HB   ASP  63          2HB       ASP  63  12.335   8.658   5.624
  471   2HB   ASP  63          1HB       ASP  63  12.566   6.923   5.399
  472    H    ASP  64           H        ASP  64  11.775   6.668   1.420
  473    HA   ASP  64           HA       ASP  64  10.724   4.638   0.773
  474   1HB   ASP  64          2HB       ASP  64  11.662   4.353   3.566
  475   2HB   ASP  64          1HB       ASP  64  10.435   3.184   3.076
  476    H    CYS  65           H        CYS  65   9.333   4.979   4.080
  477    HA   CYS  65           HA       CYS  65   6.709   4.331   3.514
  478   1HB   CYS  65          2HB       CYS  65   8.176   6.100   5.419
  479   2HB   CYS  65          1HB       CYS  65   6.424   6.268   5.368
  480    H    ASN  66           HN       ASN  66   8.469   7.235   2.644
  481    HA   ASN  66           HA       ASN  66   6.274   8.999   2.119
  482   1HB   ASN  66          2HB       ASN  66   8.029  10.074   0.612
  483   2HB   ASN  66          1HB       ASN  66   8.537   9.811   2.278
  484   1HD2  ASN  66          1HD2      ASN  66  10.604  10.030   0.511
  485   2HD2  ASN  66          2HD2      ASN  66  11.289   8.514   0.171
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1  13.021  11.984  -2.460
    2   2H    MET   1          2H        MET   1  12.894  12.836  -0.996
    3   3H    MET   1          3H        MET   1  11.784  13.125  -2.249
    4    HA   MET   1           HA       MET   1  11.933  10.853  -0.385
    5   1HB   MET   1          2HB       MET   1   9.614  12.327  -1.654
    6   2HB   MET   1          1HB       MET   1   9.621  11.420  -0.141
    7   1HG   MET   1          2HG       MET   1  11.057  13.066   0.910
    8   2HG   MET   1          1HG       MET   1  11.262  13.922  -0.619
    9   1HE   MET   1          1HE       MET   1   8.644  12.940   2.242
   10   2HE   MET   1          2HE       MET   1   8.314  14.641   2.562
   11   3HE   MET   1          3HE       MET   1   9.978  14.064   2.534
   12    H    LYS   2           H        LYS   2  11.064   8.822  -1.007
   13    HA   LYS   2           HA       LYS   2  10.159   8.466  -3.817
   14   1HB   LYS   2          2HB       LYS   2  12.461   6.933  -2.567
   15   2HB   LYS   2          1HB       LYS   2  11.872   6.775  -4.222
   16   1HG   LYS   2          2HG       LYS   2  12.378   9.290  -4.456
   17   2HG   LYS   2          1HG       LYS   2  13.311   9.114  -2.969
   18   1HD   LYS   2          2HD       LYS   2  14.920   7.793  -3.965
   19   2HD   LYS   2          1HD       LYS   2  13.791   7.128  -5.146
   20   1HE   LYS   2          2HE       LYS   2  13.755   9.707  -5.945
   21   2HE   LYS   2          1HE       LYS   2  15.398   9.633  -5.275
   22   1HZ   LYS   2          1HZ       LYS   2  14.524   7.345  -6.852
   23   2HZ   LYS   2          2HZ       LYS   2  16.049   8.086  -6.769
   24   3HZ   LYS   2          3HZ       LYS   2  14.819   8.774  -7.715
   25    H    CYS   3           H        CYS   3   9.273   6.226  -4.128
   26    HA   CYS   3           HA       CYS   3   8.569   4.827  -1.583
   27   1HB   CYS   3          2HB       CYS   3   6.876   6.607  -2.468
   28   2HB   CYS   3          1HB       CYS   3   6.521   5.421  -3.722
   29    H    LYS   4           H        LYS   4   9.159   2.720  -1.921
   30    HA   LYS   4           HA       LYS   4   9.592   1.654  -4.598
   31   1HB   LYS   4          2HB       LYS   4  10.353  -0.298  -3.341
   32   2HB   LYS   4          1HB       LYS   4  10.957   1.161  -2.556
   33   1HG   LYS   4          2HG       LYS   4   9.064   1.079  -0.963
   34   2HG   LYS   4          1HG       LYS   4   8.492  -0.402  -1.731
   35   1HD   LYS   4          2HD       LYS   4  10.923  -1.267  -1.262
   36   2HD   LYS   4          1HD       LYS   4  10.955   0.031  -0.067
   37   1HE   LYS   4          2HE       LYS   4   9.800  -1.293   1.359
   38   2HE   LYS   4          1HE       LYS   4   8.451  -1.326   0.205
   39   1HZ   LYS   4          1HZ       LYS   4  10.092  -2.949  -1.037
   40   2HZ   LYS   4          2HZ       LYS   4   9.027  -3.517   0.158
   41   3HZ   LYS   4          3HZ       LYS   4  10.657  -3.224   0.539
   42    H    ILE   5           H        ILE   5   8.297   0.178  -5.696
   43    HA   ILE   5           HA       ILE   5   5.735  -0.656  -4.380
   44    HB   ILE   5           HB       ILE   5   6.254   0.472  -7.147
   45   1HG1  ILE   5          2HG1      ILE   5   4.101   1.662  -5.630
   46   2HG1  ILE   5          1HG1      ILE   5   5.580   1.662  -4.670
   47   1HG2  ILE   5          1HG2      ILE   5   3.755  -0.767  -5.959
   48   2HG2  ILE   5          2HG2      ILE   5   4.650  -1.331  -7.371
   49   3HG2  ILE   5          3HG2      ILE   5   3.770   0.195  -7.437
   50   1HD1  ILE   5          1HD1      ILE   5   6.513   3.262  -5.958
   51   2HD1  ILE   5          2HD1      ILE   5   4.927   3.472  -6.699
   52   3HD1  ILE   5          3HD1      ILE   5   6.109   2.392  -7.438
   53    H    CYS   6           H        CYS   6   5.686  -2.861  -4.337
   54    HA   CYS   6           HA       CYS   6   6.423  -4.403  -6.749
   55   1HB   CYS   6          2HB       CYS   6   8.448  -3.881  -5.157
   56   2HB   CYS   6          1HB       CYS   6   7.726  -5.117  -4.128
   57    H    ASN   7           H        ASN   7   4.107  -3.846  -4.736
   58    HA   ASN   7           HA       ASN   7   2.385  -5.105  -3.705
   59   1HB   ASN   7          2HB       ASN   7   2.291  -5.798  -6.088
   60   2HB   ASN   7          1HB       ASN   7   3.444  -7.089  -5.747
   61   1HD2  ASN   7          1HD2      ASN   7   0.414  -7.066  -6.511
   62   2HD2  ASN   7          2HD2      ASN   7  -0.280  -8.117  -5.373
   63    H    PHE   8           H        PHE   8   3.689  -5.248  -1.680
   64    HA   PHE   8           HA       PHE   8   5.595  -7.084  -0.914
   65   1HB   PHE   8          2HB       PHE   8   3.897  -5.323   0.305
   66   2HB   PHE   8          1HB       PHE   8   3.287  -6.857   0.927
   67    HD1  PHE   8           HD1      PHE   8   6.241  -4.641   0.711
   68    HD2  PHE   8           HD2      PHE   8   4.615  -8.241   2.399
   69    HE1  PHE   8           HE1      PHE   8   8.152  -4.766   2.286
   70    HE2  PHE   8           HE2      PHE   8   6.526  -8.366   3.973
   71    HZ   PHE   8           HZ       PHE   8   8.295  -6.629   3.916
   72    H    ASP   9           H        ASP   9   5.315  -9.171   0.324
   73    HA   ASP   9           HA       ASP   9   4.429 -11.353   0.600
   74   1HB   ASP   9          2HB       ASP   9   2.245  -9.663   0.310
   75   2HB   ASP   9          1HB       ASP   9   1.976 -10.883  -0.936
   76    H    THR  10           H        THR  10   5.107  -9.828  -2.310
   77    HA   THR  10           HA       THR  10   5.927 -12.173  -3.684
   78    HB   THR  10           HB       THR  10   3.620 -12.811  -3.767
   79    HG1  THR  10           HG1      THR  10   3.146 -12.255  -6.093
   80   1HG2  THR  10          1HG2      THR  10   1.837 -11.301  -4.435
   81   2HG2  THR  10          2HG2      THR  10   3.006 -10.027  -4.788
   82   3HG2  THR  10          3HG2      THR  10   2.753 -10.557  -3.125
   83    H    CYS  11           H        CYS  11   7.514 -10.264  -3.841
   84    HA   CYS  11           HA       CYS  11   7.141  -7.878  -5.211
   85   1HB   CYS  11          2HB       CYS  11   9.252  -9.460  -4.313
   86   2HB   CYS  11          1HB       CYS  11   9.566  -9.279  -6.039
   87    H    ARG  12           H        ARG  12   5.649  -8.022  -6.951
   88    HA   ARG  12           HA       ARG  12   6.385  -9.796  -9.237
   89   1HB   ARG  12          2HB       ARG  12   3.916  -8.556  -8.117
   90   2HB   ARG  12          1HB       ARG  12   3.968  -8.780  -9.865
   91   1HG   ARG  12          2HG       ARG  12   4.834 -11.194  -9.207
   92   2HG   ARG  12          1HG       ARG  12   4.005 -10.840  -7.691
   93   1HD   ARG  12          2HD       ARG  12   1.987 -11.215  -8.651
   94   2HD   ARG  12          1HD       ARG  12   2.356 -10.078  -9.964
   95    HE   ARG  12           HE       ARG  12   3.167 -12.956  -9.952
   96   1HH1  ARG  12          2HH1      ARG  12   1.142 -11.184 -11.694
   97   2HH1  ARG  12          1HH1      ARG  12   1.986 -11.251 -13.205
   98   1HH2  ARG  12          1HH2      ARG  12   4.905 -12.513 -11.823
   99   2HH2  ARG  12          2HH2      ARG  12   4.117 -12.003 -13.278
  100    H    ALA  13           H        ALA  13   6.214  -6.487  -8.222
  101    HA   ALA  13           HA       ALA  13   6.521  -5.490 -11.015
  102   1HB   ALA  13          1HB       ALA  13   5.095  -3.984 -10.095
  103   2HB   ALA  13          2HB       ALA  13   6.496  -3.348  -9.232
  104   3HB   ALA  13          3HB       ALA  13   5.453  -4.543  -8.461
  105    H    GLY  14           H        GLY  14   7.889  -4.068  -8.083
  106   1HA   GLY  14          2HA       GLY  14  10.206  -4.041  -7.418
  107   2HA   GLY  14          1HA       GLY  14  10.636  -4.731  -8.986
  108    H    GLU  15           H        GLU  15   8.504  -1.954  -8.465
  109    HA   GLU  15           HA       GLU  15  10.587  -0.213  -9.751
  110   1HB   GLU  15          2HB       GLU  15   8.659   0.825 -10.965
  111   2HB   GLU  15          1HB       GLU  15   8.854  -0.886 -11.350
  112   1HG   GLU  15          2HG       GLU  15   6.766  -1.299 -10.628
  113   2HG   GLU  15          1HG       GLU  15   7.189  -0.677  -9.032
  114    H    LEU  16           H        LEU  16  10.805   1.825  -8.798
  115    HA   LEU  16           HA       LEU  16   9.147   2.317  -6.363
  116   1HB   LEU  16          2HB       LEU  16  11.630   3.826  -7.151
  117   2HB   LEU  16          1HB       LEU  16  11.027   3.457  -5.537
  118    HG   LEU  16           HG       LEU  16  12.336   1.551  -7.495
  119   1HD1  LEU  16          1HD1      LEU  16  13.130   3.015  -5.075
  120   2HD1  LEU  16          2HD1      LEU  16  14.136   2.273  -6.319
  121   3HD1  LEU  16          3HD1      LEU  16  13.495   1.291  -5.002
  122   1HD2  LEU  16          1HD2      LEU  16  11.288   0.785  -4.772
  123   2HD2  LEU  16          2HD2      LEU  16  11.756  -0.269  -6.104
  124   3HD2  LEU  16          3HD2      LEU  16  10.260   0.658  -6.199
  125    H    LYS  17           H        LYS  17   9.138   4.919  -5.986
  126    HA   LYS  17           HA       LYS  17   8.645   6.459  -8.443
  127   1HB   LYS  17          2HB       LYS  17   6.601   4.921  -7.168
  128   2HB   LYS  17          1HB       LYS  17   6.245   6.625  -6.880
  129   1HG   LYS  17          2HG       LYS  17   6.596   7.027  -9.350
  130   2HG   LYS  17          1HG       LYS  17   6.690   5.277  -9.556
  131   1HD   LYS  17          2HD       LYS  17   4.449   4.999  -9.278
  132   2HD   LYS  17          1HD       LYS  17   4.365   6.200  -7.989
  133   1HE   LYS  17          2HE       LYS  17   4.807   7.912  -9.957
  134   2HE   LYS  17          1HE       LYS  17   4.152   6.599 -10.958
  135   1HZ   LYS  17          1HZ       LYS  17   2.768   7.126  -8.455
  136   2HZ   LYS  17          2HZ       LYS  17   2.137   6.722  -9.980
  137   3HZ   LYS  17          3HZ       LYS  17   2.605   8.321  -9.648
  138    H    VAL  18           H        VAL  18   7.260   8.583  -7.419
  139    HA   VAL  18           HA       VAL  18   8.855   9.412  -5.023
  140    HB   VAL  18           HB       VAL  18   9.004  11.593  -6.110
  141   1HG1  VAL  18          1HG1      VAL  18  10.148  10.816  -8.294
  142   2HG1  VAL  18          2HG1      VAL  18   9.720   9.185  -7.778
  143   3HG1  VAL  18          3HG1      VAL  18  10.780  10.178  -6.776
  144   1HG2  VAL  18          1HG2      VAL  18   6.898  11.771  -7.225
  145   2HG2  VAL  18          2HG2      VAL  18   7.184  10.295  -8.145
  146   3HG2  VAL  18          3HG2      VAL  18   8.113  11.751  -8.502
  147    H    CYS  19           H        CYS  19   7.617  10.175  -3.339
  148    HA   CYS  19           HA       CYS  19   5.080  11.559  -3.770
  149   1HB   CYS  19          2HB       CYS  19   5.113   8.748  -3.728
  150   2HB   CYS  19          1HB       CYS  19   4.526   9.221  -2.134
  151    H    ALA  20           H        ALA  20   4.056  10.741  -1.123
  152    HA   ALA  20           HA       ALA  20   4.252  11.502   1.108
  153   1HB   ALA  20          1HB       ALA  20   7.207  11.021   0.734
  154   2HB   ALA  20          2HB       ALA  20   6.071   9.673   0.723
  155   3HB   ALA  20          3HB       ALA  20   6.212  10.695   2.152
  156    H    SER  21           H        SER  21   4.665  13.450  -1.168
  157    HA   SER  21           HA       SER  21   6.752  15.306  -0.563
  158   1HB   SER  21          2HB       SER  21   4.139  15.291  -2.023
  159   2HB   SER  21          1HB       SER  21   4.909  16.847  -1.724
  160    HG   SER  21           HG       SER  21   6.606  16.253  -2.930
  161    H    GLY  22           H        GLY  22   3.394  16.349  -0.218
  162   1HA   GLY  22          2HA       GLY  22   4.032  17.231   2.571
  163   2HA   GLY  22          1HA       GLY  22   3.179  18.280   1.437
  164    H    GLU  23           H        GLU  23   1.311  16.681   0.296
  165    HA   GLU  23           HA       GLU  23  -0.262  15.647   2.637
  166   1HB   GLU  23          2HB       GLU  23  -0.770  17.626   0.542
  167   2HB   GLU  23          1HB       GLU  23  -2.045  16.410   0.638
  168   1HG   GLU  23          2HG       GLU  23  -2.748  17.125   2.682
  169   2HG   GLU  23          1HG       GLU  23  -1.103  17.413   3.251
  170    H    LYS  24           H        LYS  24   1.409  14.583   0.038
  171    HA   LYS  24           HA       LYS  24  -0.632  12.559  -0.794
  172   1HB   LYS  24          2HB       LYS  24   1.801  13.841  -1.989
  173   2HB   LYS  24          1HB       LYS  24   1.347  12.229  -2.544
  174   1HG   LYS  24          2HG       LYS  24  -0.822  12.983  -3.238
  175   2HG   LYS  24          1HG       LYS  24  -0.608  14.537  -2.431
  176   1HD   LYS  24          2HD       LYS  24   1.588  14.141  -4.231
  177   2HD   LYS  24          1HD       LYS  24   0.085  13.851  -5.107
  178   1HE   LYS  24          2HE       LYS  24  -0.626  16.036  -4.880
  179   2HE   LYS  24          1HE       LYS  24   0.172  16.239  -3.308
  180   1HZ   LYS  24          1HZ       LYS  24   2.149  16.716  -4.261
  181   2HZ   LYS  24          2HZ       LYS  24   1.180  17.209  -5.566
  182   3HZ   LYS  24          3HZ       LYS  24   1.905  15.673  -5.575
  183    H    TYR  25           H        TYR  25  -0.450  10.856   0.680
  184    HA   TYR  25           HA       TYR  25   2.291   9.915   1.413
  185   1HB   TYR  25          2HB       TYR  25  -0.384   9.114   2.585
  186   2HB   TYR  25          1HB       TYR  25   1.206   8.976   3.329
  187    HD1  TYR  25           HD1      TYR  25  -1.352  10.444   4.384
  188    HD2  TYR  25           HD2      TYR  25   2.172  11.756   2.308
  189    HE1  TYR  25           HE1      TYR  25  -1.614  12.705   5.368
  190    HE2  TYR  25           HE2      TYR  25   1.910  14.018   3.293
  191    HH   TYR  25           HH       TYR  25   0.658  15.336   4.561
  192    H    CYS  26           H        CYS  26   2.865   7.725   1.045
  193    HA   CYS  26           HA       CYS  26   1.616   6.387  -1.201
  194   1HB   CYS  26          2HB       CYS  26   3.958   6.220   0.474
  195   2HB   CYS  26          1HB       CYS  26   3.257   4.613   0.296
  196    H    PHE  27           H        PHE  27  -0.445   5.559  -0.890
  197    HA   PHE  27           HA       PHE  27  -1.184   4.370   1.714
  198   1HB   PHE  27          2HB       PHE  27  -3.394   4.583   0.895
  199   2HB   PHE  27          1HB       PHE  27  -2.554   5.965   0.194
  200    HD1  PHE  27           HD1      PHE  27  -2.054   6.068  -2.186
  201    HD2  PHE  27           HD2      PHE  27  -3.970   2.624  -0.477
  202    HE1  PHE  27           HE1      PHE  27  -2.629   5.259  -4.459
  203    HE2  PHE  27           HE2      PHE  27  -4.545   1.815  -2.750
  204    HZ   PHE  27           HZ       PHE  27  -3.874   3.134  -4.741
  205    H    LYS  28           H        LYS  28  -1.085   2.203   2.084
  206    HA   LYS  28           HA       LYS  28  -0.659   0.371  -0.242
  207   1HB   LYS  28          2HB       LYS  28   1.089   0.263   1.384
  208   2HB   LYS  28          1HB       LYS  28  -0.060   0.280   2.724
  209   1HG   LYS  28          2HG       LYS  28  -0.724  -1.929   1.042
  210   2HG   LYS  28          1HG       LYS  28   1.012  -1.987   1.347
  211   1HD   LYS  28          2HD       LYS  28  -0.903  -1.471   3.610
  212   2HD   LYS  28          1HD       LYS  28  -0.596  -3.120   3.064
  213   1HE   LYS  28          2HE       LYS  28   1.750  -2.946   3.558
  214   2HE   LYS  28          1HE       LYS  28   1.628  -1.193   3.809
  215   1HZ   LYS  28          1HZ       LYS  28   1.546  -2.628   5.879
  216   2HZ   LYS  28          2HZ       LYS  28   0.006  -3.124   5.361
  217   3HZ   LYS  28          3HZ       LYS  28   0.303  -1.487   5.704
  218    H    GLU  29           H        GLU  29  -2.533  -0.628  -0.891
  219    HA   GLU  29           HA       GLU  29  -4.739  -1.009   1.067
  220   1HB   GLU  29          2HB       GLU  29  -4.963   0.051  -1.243
  221   2HB   GLU  29          1HB       GLU  29  -4.673  -1.556  -1.910
  222   1HG   GLU  29          2HG       GLU  29  -6.603  -2.417  -0.586
  223   2HG   GLU  29          1HG       GLU  29  -6.923  -0.772  -0.033
  224    H    SER  30           H        SER  30  -4.434  -2.899   2.223
  225    HA   SER  30           HA       SER  30  -3.631  -5.353   0.704
  226   1HB   SER  30          2HB       SER  30  -2.979  -6.154   2.987
  227   2HB   SER  30          1HB       SER  30  -2.132  -4.685   2.513
  228    HG   SER  30           HG       SER  30  -3.433  -3.509   3.832
  229    H    TRP  31           H        TRP  31  -5.401  -6.606   0.210
  230    HA   TRP  31           HA       TRP  31  -7.656  -6.660   2.190
  231   1HB   TRP  31          2HB       TRP  31  -9.103  -6.988   0.251
  232   2HB   TRP  31          1HB       TRP  31  -8.082  -5.577  -0.025
  233    HD1  TRP  31           HD1      TRP  31  -7.963  -9.376  -0.780
  234    HE1  TRP  31           HE1      TRP  31  -6.880  -9.691  -3.099
  235    HE3  TRP  31           HE3      TRP  31  -6.887  -4.516  -1.919
  236    HZ2  TRP  31           HZ2      TRP  31  -5.711  -8.092  -5.164
  237    HZ3  TRP  31           HZ3      TRP  31  -5.791  -3.940  -4.065
  238    HH2  TRP  31           HH2      TRP  31  -5.202  -5.720  -5.688
  239    H    ARG  32           H        ARG  32  -8.553  -8.694   2.685
  240    HA   ARG  32           HA       ARG  32  -6.904 -11.053   1.858
  241   1HB   ARG  32          2HB       ARG  32  -7.574 -10.000   4.334
  242   2HB   ARG  32          1HB       ARG  32  -8.741 -11.307   4.139
  243   1HG   ARG  32          2HG       ARG  32  -6.904 -12.877   3.638
  244   2HG   ARG  32          1HG       ARG  32  -5.734 -11.571   3.834
  245   1HD   ARG  32          2HD       ARG  32  -7.591 -11.856   6.112
  246   2HD   ARG  32          1HD       ARG  32  -6.511 -13.244   5.870
  247    HE   ARG  32           HE       ARG  32  -5.594 -10.424   6.244
  248   1HH1  ARG  32          1HH2      ARG  32  -5.285 -13.303   7.718
  249   2HH1  ARG  32          2HH2      ARG  32  -3.564 -13.448   7.581
  250   1HH2  ARG  32          2HH1      ARG  32  -3.256 -10.821   5.340
  251   2HH2  ARG  32          1HH1      ARG  32  -2.417 -12.043   6.235
  252    H    GLU  33           H        GLU  33  -8.139 -13.099   1.564
  253    HA   GLU  33           HA       GLU  33 -11.045 -13.006   1.255
  254   1HB   GLU  33          2HB       GLU  33  -9.320 -12.141  -0.859
  255   2HB   GLU  33          1HB       GLU  33 -10.064 -13.663  -1.352
  256   1HG   GLU  33          2HG       GLU  33 -12.232 -12.804  -1.212
  257   2HG   GLU  33          1HG       GLU  33 -11.757 -11.521  -0.100
  258    H    ALA  34           H        ALA  34 -11.539 -15.137  -0.306
  259    HA   ALA  34           HA       ALA  34 -10.381 -17.376   1.196
  260   1HB   ALA  34          1HB       ALA  34 -12.655 -16.770  -0.546
  261   2HB   ALA  34          2HB       ALA  34 -12.526 -17.965   0.745
  262   3HB   ALA  34          3HB       ALA  34 -11.962 -18.358  -0.878
  263    H    ARG  35           H        ARG  35 -10.322 -16.203  -2.176
  264    HA   ARG  35           HA       ARG  35  -8.755 -18.349  -3.259
  265   1HB   ARG  35          2HB       ARG  35 -10.047 -16.027  -4.113
  266   2HB   ARG  35          1HB       ARG  35  -8.346 -15.715  -4.462
  267   1HG   ARG  35          2HG       ARG  35  -9.911 -18.167  -5.327
  268   2HG   ARG  35          1HG       ARG  35  -9.424 -16.832  -6.372
  269   1HD   ARG  35          2HD       ARG  35  -7.018 -17.495  -5.255
  270   2HD   ARG  35          1HD       ARG  35  -7.808 -19.083  -5.338
  271    HE   ARG  35           HE       ARG  35  -8.386 -17.919  -7.790
  272   1HH1  ARG  35          2HH1      ARG  35  -5.942 -19.662  -6.286
  273   2HH1  ARG  35          1HH1      ARG  35  -4.754 -19.402  -7.519
  274   1HH2  ARG  35          1HH2      ARG  35  -6.684 -17.109  -9.265
  275   2HH2  ARG  35          2HH2      ARG  35  -5.175 -17.957  -9.206
  276    H    GLY  36           H        GLY  36  -7.931 -15.871  -1.070
  277   1HA   GLY  36          2HA       GLY  36  -5.522 -16.387  -0.199
  278   2HA   GLY  36          1HA       GLY  36  -5.054 -15.969  -1.848
  279    H    THR  37           H        THR  37  -3.863 -14.378  -0.150
  280    HA   THR  37           HA       THR  37  -5.577 -11.965   0.274
  281    HB   THR  37           HB       THR  37  -3.965 -11.386   1.944
  282    HG1  THR  37           HG1      THR  37  -1.950 -12.183   1.958
  283   1HG2  THR  37          1HG2      THR  37  -5.405 -13.278   2.579
  284   2HG2  THR  37          2HG2      THR  37  -3.810 -13.434   3.316
  285   3HG2  THR  37          3HG2      THR  37  -4.228 -14.406   1.905
  286    H    ARG  38           H        ARG  38  -4.717  -9.877  -0.422
  287    HA   ARG  38           HA       ARG  38  -2.335  -9.819  -2.152
  288   1HB   ARG  38          2HB       ARG  38  -5.080 -10.173  -3.126
  289   2HB   ARG  38          1HB       ARG  38  -4.261  -8.800  -3.870
  290   1HG   ARG  38          2HG       ARG  38  -2.869 -10.136  -5.051
  291   2HG   ARG  38          1HG       ARG  38  -2.545 -11.164  -3.654
  292   1HD   ARG  38          2HD       ARG  38  -3.730 -12.707  -4.892
  293   2HD   ARG  38          1HD       ARG  38  -5.127 -11.870  -4.186
  294    HE   ARG  38           HE       ARG  38  -5.220 -10.473  -6.234
  295   1HH1  ARG  38          1HH2      ARG  38  -4.557 -13.703  -6.520
  296   2HH1  ARG  38          2HH2      ARG  38  -3.886 -13.628  -8.114
  297   1HH2  ARG  38          2HH1      ARG  38  -3.755 -10.165  -8.186
  298   2HH2  ARG  38          1HH1      ARG  38  -3.433 -11.626  -9.058
  299    H    ILE  39           H        ILE  39  -1.449  -7.788  -1.980
  300    HA   ILE  39           HA       ILE  39  -3.234  -5.557  -1.089
  301    HB   ILE  39           HB       ILE  39  -1.443  -4.862   0.326
  302   1HG1  ILE  39          2HG1      ILE  39   0.222  -6.774  -1.320
  303   2HG1  ILE  39          1HG1      ILE  39   0.444  -5.034  -1.128
  304   1HG2  ILE  39          1HG2      ILE  39  -1.402  -7.890   0.373
  305   2HG2  ILE  39          2HG2      ILE  39  -2.681  -6.905   1.081
  306   3HG2  ILE  39          3HG2      ILE  39  -1.040  -6.813   1.721
  307   1HD1  ILE  39          1HD1      ILE  39   1.472  -7.185   0.512
  308   2HD1  ILE  39          2HD1      ILE  39   0.483  -6.095   1.483
  309   3HD1  ILE  39          3HD1      ILE  39   1.855  -5.465   0.571
  310    H    GLU  40           H        GLU  40  -2.082  -3.360  -1.603
  311    HA   GLU  40           HA       GLU  40  -0.418  -3.421  -4.053
  312   1HB   GLU  40          2HB       GLU  40  -3.286  -2.491  -3.860
  313   2HB   GLU  40          1HB       GLU  40  -2.205  -1.861  -5.104
  314   1HG   GLU  40          2HG       GLU  40  -1.706  -4.498  -5.387
  315   2HG   GLU  40          1HG       GLU  40  -3.369  -4.581  -4.809
  316    H    ARG  41           H        ARG  41   0.255  -1.145  -4.641
  317    HA   ARG  41           HA       ARG  41   0.330   0.588  -2.194
  318   1HB   ARG  41          2HB       ARG  41   2.296  -0.397  -4.140
  319   2HB   ARG  41          1HB       ARG  41   2.410   1.341  -3.864
  320   1HG   ARG  41          2HG       ARG  41   2.441   0.894  -1.399
  321   2HG   ARG  41          1HG       ARG  41   2.493  -0.834  -1.754
  322   1HD   ARG  41          2HD       ARG  41   4.716  -0.751  -2.214
  323   2HD   ARG  41          1HD       ARG  41   4.512   0.669  -3.259
  324    HE   ARG  41           HE       ARG  41   5.298   1.903  -1.411
  325   1HH1  ARG  41          2HH1      ARG  41   5.058  -1.049  -0.054
  326   2HH1  ARG  41          1HH1      ARG  41   4.406  -0.545   1.469
  327   1HH2  ARG  41          1HH2      ARG  41   3.732   2.689   0.413
  328   2HH2  ARG  41          2HH2      ARG  41   3.655   1.570   1.733
  329    H    GLY  42           H        GLY  42   1.262   2.919  -3.343
  330   1HA   GLY  42          2HA       GLY  42   0.425   4.012  -5.658
  331   2HA   GLY  42          1HA       GLY  42  -1.122   3.822  -4.833
  332    H    CYS  43           H        CYS  43  -1.133   6.246  -5.001
  333    HA   CYS  43           HA       CYS  43   0.292   7.436  -2.647
  334   1HB   CYS  43          2HB       CYS  43   0.162   8.260  -5.530
  335   2HB   CYS  43          1HB       CYS  43   0.280   9.516  -4.297
  336    H    ALA  44           H        ALA  44  -1.366   7.945  -1.252
  337    HA   ALA  44           HA       ALA  44  -3.612   9.596  -2.286
  338   1HB   ALA  44          1HB       ALA  44  -4.434   7.336  -2.478
  339   2HB   ALA  44          2HB       ALA  44  -5.189   8.035  -1.046
  340   3HB   ALA  44          3HB       ALA  44  -3.831   6.923  -0.872
  341    H    ALA  45           H        ALA  45  -5.133   9.792  -0.036
  342    HA   ALA  45           HA       ALA  45  -3.447  10.168   2.352
  343   1HB   ALA  45          1HB       ALA  45  -4.647  12.701   1.875
  344   2HB   ALA  45          2HB       ALA  45  -3.865  12.212   0.372
  345   3HB   ALA  45          3HB       ALA  45  -2.928  12.307   1.864
  346    H    THR  46           H        THR  46  -6.163   9.002   1.279
  347    HA   THR  46           HA       THR  46  -8.013  10.340   3.202
  348    HB   THR  46           HB       THR  46  -8.717   8.176   1.227
  349    HG1  THR  46           HG1      THR  46  -8.254  10.922   0.706
  350   1HG2  THR  46          1HG2      THR  46 -10.431  10.519   1.455
  351   2HG2  THR  46          2HG2      THR  46 -10.155   9.754   3.020
  352   3HG2  THR  46          3HG2      THR  46 -10.828   8.817   1.686
  353    H    CYS  47           H        CYS  47  -6.399   7.284   2.522
  354    HA   CYS  47           HA       CYS  47  -6.495   5.195   3.632
  355   1HB   CYS  47          2HB       CYS  47  -6.452   6.997   6.051
  356   2HB   CYS  47          1HB       CYS  47  -5.569   5.504   5.770
  357    HA   PRO  48           HA       PRO  48 -10.936   5.297   4.724
  358   1HB   PRO  48          2HB       PRO  48 -11.531   2.936   3.478
  359   2HB   PRO  48          1HB       PRO  48 -11.485   4.492   2.624
  360   1HG   PRO  48          2HG       PRO  48  -9.461   2.315   2.703
  361   2HG   PRO  48          1HG       PRO  48  -9.939   3.365   1.361
  362   1HD   PRO  48          2HD       PRO  48  -7.664   3.718   2.842
  363   2HD   PRO  48          1HD       PRO  48  -8.503   5.027   1.982
  364    H    LYS  49           H        LYS  49 -12.088   2.789   5.271
  365    HA   LYS  49           HA       LYS  49 -10.318   1.729   7.452
  366   1HB   LYS  49          2HB       LYS  49 -13.196   2.559   7.306
  367   2HB   LYS  49          1HB       LYS  49 -12.755   1.263   8.417
  368   1HG   LYS  49          2HG       LYS  49 -12.286   2.969   9.851
  369   2HG   LYS  49          1HG       LYS  49 -10.782   3.078   8.934
  370   1HD   LYS  49          2HD       LYS  49 -12.792   4.497   7.485
  371   2HD   LYS  49          1HD       LYS  49 -12.855   5.036   9.163
  372   1HE   LYS  49          2HE       LYS  49 -10.162   4.758   7.864
  373   2HE   LYS  49          1HE       LYS  49 -11.154   6.178   7.479
  374   1HZ   LYS  49          1HZ       LYS  49  -9.934   5.408  10.000
  375   2HZ   LYS  49          2HZ       LYS  49 -11.525   5.996  10.111
  376   3HZ   LYS  49          3HZ       LYS  49 -10.311   6.952   9.407
  377    H    GLY  50           H        GLY  50 -11.716  -0.480   8.200
  378   1HA   GLY  50          2HA       GLY  50 -12.640  -2.013   5.887
  379   2HA   GLY  50          1HA       GLY  50 -11.059  -2.520   6.482
  380    H    SER  51           H        SER  51 -11.865  -4.562   7.199
  381    HA   SER  51           HA       SER  51 -13.638  -4.395   9.618
  382   1HB   SER  51          2HB       SER  51 -13.965  -6.927   8.606
  383   2HB   SER  51          1HB       SER  51 -15.023  -5.567   8.234
  384    HG   SER  51           HG       SER  51 -12.745  -6.445   6.781
  385    H    VAL  52           H        VAL  52 -13.355  -6.848  10.678
  386    HA   VAL  52           HA       VAL  52 -10.937  -6.914  12.052
  387    HB   VAL  52           HB       VAL  52 -13.099  -8.283  12.317
  388   1HG1  VAL  52          1HG1      VAL  52 -11.598 -10.140  10.447
  389   2HG1  VAL  52          2HG1      VAL  52 -13.032  -9.216   9.998
  390   3HG1  VAL  52          3HG1      VAL  52 -13.141 -10.469  11.235
  391   1HG2  VAL  52          1HG2      VAL  52 -10.715  -8.577  13.457
  392   2HG2  VAL  52          2HG2      VAL  52 -10.725 -10.093  12.556
  393   3HG2  VAL  52          3HG2      VAL  52 -11.998  -9.757  13.730
  394    H    TYR  53           H        TYR  53 -11.674  -8.393   8.899
  395    HA   TYR  53           HA       TYR  53  -8.820  -8.384   8.184
  396   1HB   TYR  53          2HB       TYR  53 -10.413 -10.882   8.788
  397   2HB   TYR  53          1HB       TYR  53  -8.988 -10.926   7.751
  398    HD1  TYR  53           HD1      TYR  53 -10.018 -11.471  11.001
  399    HD2  TYR  53           HD2      TYR  53  -6.966  -9.381   8.816
  400    HE1  TYR  53           HE1      TYR  53  -8.557 -11.508  13.005
  401    HE2  TYR  53           HE2      TYR  53  -5.506  -9.419  10.820
  402    HH   TYR  53           HH       TYR  53  -5.515 -11.223  13.068
  403    H    GLY  54           H        GLY  54 -10.394  -6.920   6.724
  404   1HA   GLY  54          2HA       GLY  54 -11.035  -8.578   4.331
  405   2HA   GLY  54          1HA       GLY  54 -12.222  -7.414   4.919
  406    H    LEU  55           H        LEU  55 -10.603  -5.258   5.589
  407    HA   LEU  55           HA       LEU  55  -9.081  -4.631   3.093
  408   1HB   LEU  55          2HB       LEU  55 -11.666  -3.619   4.006
  409   2HB   LEU  55          1HB       LEU  55 -10.506  -2.318   3.736
  410    HG   LEU  55           HG       LEU  55 -11.668  -2.750   1.649
  411   1HD1  LEU  55          1HD1      LEU  55  -8.876  -2.911   1.996
  412   2HD1  LEU  55          2HD1      LEU  55  -9.738  -2.486   0.517
  413   3HD1  LEU  55          3HD1      LEU  55  -9.279  -4.162   0.820
  414   1HD2  LEU  55          1HD2      LEU  55 -10.636  -5.485   1.288
  415   2HD2  LEU  55          2HD2      LEU  55 -12.232  -4.830   0.922
  416   3HD2  LEU  55          3HD2      LEU  55 -11.845  -5.342   2.565
  417    H    TYR  56           H        TYR  56  -7.066  -4.283   4.012
  418    HA   TYR  56           HA       TYR  56  -6.932  -2.475   6.404
  419   1HB   TYR  56          2HB       TYR  56  -6.083  -4.634   6.952
  420   2HB   TYR  56          1HB       TYR  56  -5.250  -4.783   5.405
  421    HD1  TYR  56           HD1      TYR  56  -5.288  -1.673   7.393
  422    HD2  TYR  56           HD2      TYR  56  -3.038  -5.172   6.328
  423    HE1  TYR  56           HE1      TYR  56  -3.252  -0.665   8.386
  424    HE2  TYR  56           HE2      TYR  56  -1.001  -4.166   7.322
  425    HH   TYR  56           HH       TYR  56  -0.349  -2.494   8.875
  426    H    VAL  57           H        VAL  57  -6.489  -0.436   5.585
  427    HA   VAL  57           HA       VAL  57  -4.474  -0.219   3.380
  428    HB   VAL  57           HB       VAL  57  -6.863   0.650   3.158
  429   1HG1  VAL  57          1HG1      VAL  57  -6.497   1.619   5.657
  430   2HG1  VAL  57          2HG1      VAL  57  -7.653   2.314   4.522
  431   3HG1  VAL  57          3HG1      VAL  57  -6.063   3.049   4.720
  432   1HG2  VAL  57          1HG2      VAL  57  -5.225   3.079   2.912
  433   2HG2  VAL  57          2HG2      VAL  57  -6.057   2.155   1.661
  434   3HG2  VAL  57          3HG2      VAL  57  -4.464   1.647   2.219
  435    H    LEU  58           H        LEU  58  -2.572   0.897   3.777
  436    HA   LEU  58           HA       LEU  58  -2.340   2.382   6.374
  437   1HB   LEU  58          2HB       LEU  58  -1.371  -0.050   6.131
  438   2HB   LEU  58          1HB       LEU  58  -0.099   0.747   5.204
  439    HG   LEU  58           HG       LEU  58   0.583   0.612   7.541
  440   1HD1  LEU  58          1HD1      LEU  58  -0.262   3.473   7.286
  441   2HD1  LEU  58          2HD1      LEU  58   0.793   2.799   6.044
  442   3HD1  LEU  58          3HD1      LEU  58   1.309   2.804   7.730
  443   1HD2  LEU  58          1HD2      LEU  58  -1.390   2.447   8.643
  444   2HD2  LEU  58          2HD2      LEU  58  -0.877   0.871   9.246
  445   3HD2  LEU  58          3HD2      LEU  58  -2.154   0.978   8.035
  446    H    CYS  59           H        CYS  59  -1.864   4.483   5.855
  447    HA   CYS  59           HA       CYS  59  -0.451   5.078   3.303
  448   1HB   CYS  59          2HB       CYS  59  -1.654   6.980   5.330
  449   2HB   CYS  59          1HB       CYS  59  -1.329   7.289   3.626
  450    H    CYS  60           H        CYS  60   1.647   5.846   3.290
  451    HA   CYS  60           HA       CYS  60   2.878   6.572   5.928
  452   1HB   CYS  60          2HB       CYS  60   3.333   4.250   4.704
  453   2HB   CYS  60          1HB       CYS  60   4.442   5.234   3.752
  454    H    THR  61           H        THR  61   4.706   8.071   5.719
  455    HA   THR  61           HA       THR  61   5.216   9.338   3.129
  456    HB   THR  61           HB       THR  61   3.074  10.319   3.947
  457    HG1  THR  61           HG1      THR  61   3.939  11.919   2.910
  458   1HG2  THR  61          1HG2      THR  61   2.875  11.367   6.023
  459   2HG2  THR  61          2HG2      THR  61   4.617  11.591   6.187
  460   3HG2  THR  61          3HG2      THR  61   3.909   9.991   6.409
  461    H    THR  62           H        THR  62   7.165   8.119   4.428
  462    HA   THR  62           HA       THR  62   8.773  10.334   5.614
  463    HB   THR  62           HB       THR  62   8.186   7.619   6.829
  464    HG1  THR  62           HG1      THR  62   6.703   8.944   7.585
  465   1HG2  THR  62          1HG2      THR  62  10.623   8.999   6.907
  466   2HG2  THR  62          2HG2      THR  62  10.111   7.707   7.993
  467   3HG2  THR  62          3HG2      THR  62   9.831   9.392   8.433
  468    H    ASP  63           H        ASP  63   9.350   6.822   5.459
  469    HA   ASP  63           HA       ASP  63  11.441   7.296   3.368
  470   1HB   ASP  63          2HB       ASP  63  12.416   7.322   5.648
  471   2HB   ASP  63          1HB       ASP  63  11.720   5.730   5.954
  472    H    ASP  64           H        ASP  64  11.497   5.664   1.814
  473    HA   ASP  64           HA       ASP  64  10.900   3.652   0.711
  474   1HB   ASP  64          2HB       ASP  64  11.203   3.088   3.577
  475   2HB   ASP  64          1HB       ASP  64  10.167   1.926   2.747
  476    H    CYS  65           H        CYS  65   8.662   3.439   3.536
  477    HA   CYS  65           HA       CYS  65   6.403   2.781   1.887
  478   1HB   CYS  65          2HB       CYS  65   5.182   3.130   4.017
  479   2HB   CYS  65          1HB       CYS  65   6.668   2.219   4.286
  480    H    ASN  66           HN       ASN  66   7.960   5.762   2.617
  481    HA   ASN  66           HA       ASN  66   5.799   7.612   2.528
  482   1HB   ASN  66          2HB       ASN  66   7.532   9.195   2.324
  483   2HB   ASN  66          1HB       ASN  66   8.351   7.823   3.065
  484   1HD2  ASN  66          1HD2      ASN  66  10.200   7.107   2.006
  485   2HD2  ASN  66          2HD2      ASN  66  10.596   7.458   0.395
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1  11.545  10.283   1.815
    2   2H    MET   1          2H        MET   1  12.601  10.780   0.579
    3   3H    MET   1          3H        MET   1  11.916   9.225   0.542
    4    HA   MET   1           HA       MET   1   9.704  10.767   0.632
    5   1HB   MET   1          2HB       MET   1  11.788  12.513   0.272
    6   2HB   MET   1          1HB       MET   1  11.321  12.185  -1.397
    7   1HG   MET   1          2HG       MET   1   9.580  13.587  -1.159
    8   2HG   MET   1          1HG       MET   1   8.918  12.519   0.079
    9   1HE   MET   1          1HE       MET   1   9.133  12.456   2.129
   10   2HE   MET   1          2HE       MET   1   8.587  13.973   2.839
   11   3HE   MET   1          3HE       MET   1  10.190  13.354   3.227
   12    H    LYS   2           H        LYS   2   9.974   8.275  -0.151
   13    HA   LYS   2           HA       LYS   2   9.530   8.346  -3.097
   14   1HB   LYS   2          2HB       LYS   2  11.639   6.861  -1.551
   15   2HB   LYS   2          1HB       LYS   2  10.982   6.136  -3.019
   16   1HG   LYS   2          2HG       LYS   2  11.868   7.771  -4.392
   17   2HG   LYS   2          1HG       LYS   2  11.827   9.002  -3.131
   18   1HD   LYS   2          2HD       LYS   2  13.666   6.620  -2.930
   19   2HD   LYS   2          1HD       LYS   2  14.143   8.075  -3.805
   20   1HE   LYS   2          2HE       LYS   2  13.400   9.329  -1.623
   21   2HE   LYS   2          1HE       LYS   2  13.604   7.739  -0.862
   22   1HZ   LYS   2          1HZ       LYS   2  15.601   9.431  -2.185
   23   2HZ   LYS   2          2HZ       LYS   2  15.777   7.745  -2.298
   24   3HZ   LYS   2          3HZ       LYS   2  15.744   8.500  -0.775
   25    H    CYS   3           H        CYS   3   8.906   5.876  -3.699
   26    HA   CYS   3           HA       CYS   3   7.361   4.576  -1.524
   27   1HB   CYS   3          2HB       CYS   3   6.207   5.891  -3.999
   28   2HB   CYS   3          1HB       CYS   3   5.315   4.691  -3.066
   29    H    LYS   4           H        LYS   4   8.170   2.509  -1.785
   30    HA   LYS   4           HA       LYS   4   8.894   1.463  -4.431
   31   1HB   LYS   4          2HB       LYS   4  10.129   1.026  -2.293
   32   2HB   LYS   4          1HB       LYS   4   8.727   0.128  -1.710
   33   1HG   LYS   4          2HG       LYS   4   9.208  -1.685  -2.987
   34   2HG   LYS   4          1HG       LYS   4   9.632  -0.696  -4.385
   35   1HD   LYS   4          2HD       LYS   4  11.845  -0.671  -3.856
   36   2HD   LYS   4          1HD       LYS   4  11.528  -0.510  -2.128
   37   1HE   LYS   4          2HE       LYS   4  12.596  -2.718  -2.788
   38   2HE   LYS   4          1HE       LYS   4  11.044  -2.896  -1.944
   39   1HZ   LYS   4          1HZ       LYS   4   9.908  -3.199  -3.958
   40   2HZ   LYS   4          2HZ       LYS   4  11.295  -4.168  -4.106
   41   3HZ   LYS   4          3HZ       LYS   4  11.218  -2.663  -4.891
   42    H    ILE   5           H        ILE   5   7.369   0.574  -5.763
   43    HA   ILE   5           HA       ILE   5   4.877  -0.545  -4.537
   44    HB   ILE   5           HB       ILE   5   5.404   0.224  -7.418
   45   1HG1  ILE   5          2HG1      ILE   5   5.907   2.132  -5.888
   46   2HG1  ILE   5          1HG1      ILE   5   4.485   2.431  -6.887
   47   1HG2  ILE   5          1HG2      ILE   5   3.397  -1.135  -6.974
   48   2HG2  ILE   5          2HG2      ILE   5   2.945   0.504  -7.438
   49   3HG2  ILE   5          3HG2      ILE   5   2.880   0.019  -5.744
   50   1HD1  ILE   5          1HD1      ILE   5   3.418   2.901  -4.947
   51   2HD1  ILE   5          2HD1      ILE   5   4.693   2.165  -3.975
   52   3HD1  ILE   5          3HD1      ILE   5   3.423   1.159  -4.670
   53    H    CYS   6           H        CYS   6   4.494  -2.725  -4.752
   54    HA   CYS   6           HA       CYS   6   5.959  -4.256  -6.851
   55   1HB   CYS   6          2HB       CYS   6   6.889  -5.739  -5.223
   56   2HB   CYS   6          1HB       CYS   6   7.163  -4.124  -4.580
   57    H    ASN   7           H        ASN   7   5.117  -6.814  -6.067
   58    HA   ASN   7           HA       ASN   7   2.346  -6.969  -5.301
   59   1HB   ASN   7          2HB       ASN   7   2.869  -5.927  -7.870
   60   2HB   ASN   7          1HB       ASN   7   2.303  -7.576  -8.133
   61   1HD2  ASN   7          1HD2      ASN   7   0.349  -6.290  -9.059
   62   2HD2  ASN   7          2HD2      ASN   7  -0.869  -5.852  -7.961
   63    H    PHE   8           H        PHE   8   1.534  -9.110  -6.942
   64    HA   PHE   8           HA       PHE   8   1.813 -11.434  -7.256
   65   1HB   PHE   8          2HB       PHE   8   4.761 -10.853  -6.870
   66   2HB   PHE   8          1HB       PHE   8   4.031 -12.152  -7.812
   67    HD1  PHE   8           HD1      PHE   8   5.090  -8.681  -7.808
   68    HD2  PHE   8           HD2      PHE   8   2.715 -11.593  -9.891
   69    HE1  PHE   8           HE1      PHE   8   5.053  -7.219  -9.813
   70    HE2  PHE   8           HE2      PHE   8   2.679 -10.131 -11.894
   71    HZ   PHE   8           HZ       PHE   8   3.849  -7.944 -11.855
   72    H    ASP   9           H        ASP   9   0.945 -10.931  -4.799
   73    HA   ASP   9           HA       ASP   9   0.806 -11.964  -2.671
   74   1HB   ASP   9          2HB       ASP   9   1.821 -13.836  -4.182
   75   2HB   ASP   9          1HB       ASP   9   3.335 -13.446  -3.365
   76    H    THR  10           H        THR  10   4.159 -11.102  -3.642
   77    HA   THR  10           HA       THR  10   4.467  -9.785  -0.984
   78    HB   THR  10           HB       THR  10   6.775 -10.645  -1.009
   79    HG1  THR  10           HG1      THR  10   5.975 -11.429  -3.552
   80   1HG2  THR  10          1HG2      THR  10   4.603 -12.050  -0.345
   81   2HG2  THR  10          2HG2      THR  10   6.219 -12.751  -0.266
   82   3HG2  THR  10          3HG2      THR  10   5.184 -13.076  -1.656
   83    H    CYS  11           H        CYS  11   7.043  -9.897  -3.328
   84    HA   CYS  11           HA       CYS  11   6.288  -7.327  -4.569
   85   1HB   CYS  11          2HB       CYS  11   8.542  -7.723  -2.592
   86   2HB   CYS  11          1HB       CYS  11   8.545  -6.389  -3.744
   87    H    ARG  12           H        ARG  12   6.429  -8.812  -6.463
   88    HA   ARG  12           HA       ARG  12   9.176  -9.740  -7.150
   89   1HB   ARG  12          2HB       ARG  12   6.361 -10.373  -7.897
   90   2HB   ARG  12          1HB       ARG  12   7.587 -10.625  -9.140
   91   1HG   ARG  12          2HG       ARG  12   8.470 -11.620  -6.549
   92   2HG   ARG  12          1HG       ARG  12   6.965 -12.384  -7.062
   93   1HD   ARG  12          2HD       ARG  12   8.083 -12.773  -9.331
   94   2HD   ARG  12          1HD       ARG  12   9.607 -12.317  -8.543
   95    HE   ARG  12           HE       ARG  12   7.881 -14.498  -7.434
   96   1HH1  ARG  12          1HH2      ARG  12  10.656 -13.150  -6.549
   97   2HH1  ARG  12          2HH2      ARG  12  11.697 -14.501  -6.846
   98   1HH2  ARG  12          2HH1      ARG  12   9.322 -16.274  -8.646
   99   2HH2  ARG  12          1HH1      ARG  12  10.941 -16.270  -8.032
  100    H    ALA  13           H        ALA  13   7.386  -6.970  -7.532
  101    HA   ALA  13           HA       ALA  13   8.190  -6.450 -10.344
  102   1HB   ALA  13          1HB       ALA  13   6.027  -5.786  -8.715
  103   2HB   ALA  13          2HB       ALA  13   6.383  -5.079 -10.290
  104   3HB   ALA  13          3HB       ALA  13   6.945  -4.283  -8.820
  105    H    GLY  14           H        GLY  14   8.294  -4.384  -7.424
  106   1HA   GLY  14          2HA       GLY  14  10.228  -3.358  -6.454
  107   2HA   GLY  14          1HA       GLY  14  11.196  -3.969  -7.797
  108    H    GLU  15           H        GLU  15   8.162  -2.154  -8.046
  109    HA   GLU  15           HA       GLU  15   9.599  -0.128  -9.695
  110   1HB   GLU  15          2HB       GLU  15   7.480  -1.530 -10.329
  111   2HB   GLU  15          1HB       GLU  15   6.620  -0.369  -9.316
  112   1HG   GLU  15          2HG       GLU  15   6.498   0.699 -11.372
  113   2HG   GLU  15          1HG       GLU  15   7.989   1.396 -10.737
  114    H    LEU  16           H        LEU  16  10.466   1.253  -8.058
  115    HA   LEU  16           HA       LEU  16   8.568   2.392  -6.064
  116   1HB   LEU  16          2HB       LEU  16  10.644   1.610  -5.166
  117   2HB   LEU  16          1HB       LEU  16  11.571   2.386  -6.450
  118    HG   LEU  16           HG       LEU  16   9.846   4.185  -4.843
  119   1HD1  LEU  16          1HD1      LEU  16  12.306   2.819  -3.716
  120   2HD1  LEU  16          2HD1      LEU  16  10.676   2.792  -3.044
  121   3HD1  LEU  16          3HD1      LEU  16  11.604   4.292  -3.043
  122   1HD2  LEU  16          1HD2      LEU  16  12.763   4.342  -5.660
  123   2HD2  LEU  16          2HD2      LEU  16  11.735   5.677  -5.137
  124   3HD2  LEU  16          3HD2      LEU  16  11.428   4.881  -6.680
  125    H    LYS  17           H        LYS  17   8.385   4.729  -5.869
  126    HA   LYS  17           HA       LYS  17   9.444   6.365  -8.113
  127   1HB   LYS  17          2HB       LYS  17   6.982   5.186  -8.271
  128   2HB   LYS  17          1HB       LYS  17   6.565   6.719  -7.503
  129   1HG   LYS  17          2HG       LYS  17   6.936   7.884  -9.403
  130   2HG   LYS  17          1HG       LYS  17   8.466   7.057  -9.699
  131   1HD   LYS  17          2HD       LYS  17   5.808   5.706 -10.189
  132   2HD   LYS  17          1HD       LYS  17   6.600   6.682 -11.428
  133   1HE   LYS  17          2HE       LYS  17   8.670   5.242 -11.102
  134   2HE   LYS  17          1HE       LYS  17   7.667   4.169 -10.106
  135   1HZ   LYS  17          1HZ       LYS  17   7.212   4.948 -12.936
  136   2HZ   LYS  17          2HZ       LYS  17   6.044   4.161 -11.984
  137   3HZ   LYS  17          3HZ       LYS  17   7.517   3.391 -12.335
  138    H    VAL  18           H        VAL  18   7.628   8.558  -7.440
  139    HA   VAL  18           HA       VAL  18   8.251   9.115  -4.581
  140    HB   VAL  18           HB       VAL  18   8.989  10.983  -6.846
  141   1HG1  VAL  18          1HG1      VAL  18  10.628  11.518  -4.736
  142   2HG1  VAL  18          2HG1      VAL  18   9.178  10.976  -3.892
  143   3HG1  VAL  18          3HG1      VAL  18   9.091  12.336  -5.010
  144   1HG2  VAL  18          1HG2      VAL  18  10.400   9.132  -7.238
  145   2HG2  VAL  18          2HG2      VAL  18  10.542   8.763  -5.519
  146   3HG2  VAL  18          3HG2      VAL  18  11.371  10.167  -6.190
  147    H    CYS  19           H        CYS  19   6.662  10.366  -3.631
  148    HA   CYS  19           HA       CYS  19   5.035  12.306  -4.971
  149   1HB   CYS  19          2HB       CYS  19   2.943  10.893  -5.072
  150   2HB   CYS  19          1HB       CYS  19   4.202  10.385  -6.198
  151    H    ALA  20           H        ALA  20   6.387  11.724  -2.372
  152    HA   ALA  20           HA       ALA  20   4.017  12.002  -0.549
  153   1HB   ALA  20          1HB       ALA  20   5.906  11.150   1.111
  154   2HB   ALA  20          2HB       ALA  20   6.646  10.565  -0.380
  155   3HB   ALA  20          3HB       ALA  20   5.039  10.006   0.087
  156    H    SER  21           H        SER  21   4.591  14.371  -1.516
  157    HA   SER  21           HA       SER  21   5.650  15.904   0.680
  158   1HB   SER  21          2HB       SER  21   7.621  14.697  -0.694
  159   2HB   SER  21          1HB       SER  21   7.433  16.129  -1.703
  160    HG   SER  21           HG       SER  21   7.735  17.394   0.158
  161    H    GLY  22           H        GLY  22   3.571  16.931   0.112
  162   1HA   GLY  22          2HA       GLY  22   3.812  19.305  -1.399
  163   2HA   GLY  22          1HA       GLY  22   3.057  18.105  -2.450
  164    H    GLU  23           H        GLU  23   1.634  16.712  -0.360
  165    HA   GLU  23           HA       GLU  23  -0.002  18.498   1.201
  166   1HB   GLU  23          2HB       GLU  23  -0.445  18.881  -1.402
  167   2HB   GLU  23          1HB       GLU  23  -1.483  17.470  -1.190
  168   1HG   GLU  23          2HG       GLU  23  -1.879  19.310   0.999
  169   2HG   GLU  23          1HG       GLU  23  -2.095  20.150  -0.537
  170    H    LYS  24           H        LYS  24  -0.101  15.501  -0.752
  171    HA   LYS  24           HA       LYS  24  -1.644  14.167   1.429
  172   1HB   LYS  24          2HB       LYS  24  -2.183  12.553  -0.300
  173   2HB   LYS  24          1HB       LYS  24  -2.387  14.165  -0.987
  174   1HG   LYS  24          2HG       LYS  24  -0.145  14.029  -1.999
  175   2HG   LYS  24          1HG       LYS  24   0.077  12.423  -1.302
  176   1HD   LYS  24          2HD       LYS  24  -1.220  11.429  -2.877
  177   2HD   LYS  24          1HD       LYS  24  -2.419  12.723  -2.834
  178   1HE   LYS  24          2HE       LYS  24  -1.112  12.491  -5.032
  179   2HE   LYS  24          1HE       LYS  24  -1.092  14.108  -4.302
  180   1HZ   LYS  24          1HZ       LYS  24   1.048  13.901  -3.660
  181   2HZ   LYS  24          2HZ       LYS  24   1.126  12.787  -4.940
  182   3HZ   LYS  24          3HZ       LYS  24   0.919  12.240  -3.345
  183    H    TYR  25           H        TYR  25  -0.785  11.516   0.717
  184    HA   TYR  25           HA       TYR  25   2.146  11.462   1.171
  185   1HB   TYR  25          2HB       TYR  25   1.691  10.002   3.218
  186   2HB   TYR  25          1HB       TYR  25   1.289  11.709   3.402
  187    HD1  TYR  25           HD1      TYR  25  -0.882  12.353   4.026
  188    HD2  TYR  25           HD2      TYR  25  -0.214   8.420   2.431
  189    HE1  TYR  25           HE1      TYR  25  -3.232  11.748   4.531
  190    HE2  TYR  25           HE2      TYR  25  -2.565   7.816   2.937
  191    HH   TYR  25           HH       TYR  25  -4.778  10.167   4.458
  192    H    CYS  26           H        CYS  26   2.589   8.872   1.682
  193    HA   CYS  26           HA       CYS  26   1.389   7.477  -0.667
  194   1HB   CYS  26          2HB       CYS  26   3.963   7.772   0.388
  195   2HB   CYS  26          1HB       CYS  26   3.512   6.122   0.813
  196    H    PHE  27           H        PHE  27   0.388   5.396  -0.396
  197    HA   PHE  27           HA       PHE  27   0.118   4.315   2.347
  198   1HB   PHE  27          2HB       PHE  27  -2.260   4.615   2.415
  199   2HB   PHE  27          1HB       PHE  27  -1.585   6.170   1.923
  200    HD1  PHE  27           HD1      PHE  27  -1.188   6.350  -0.744
  201    HD2  PHE  27           HD2      PHE  27  -4.067   3.817   1.190
  202    HE1  PHE  27           HE1      PHE  27  -2.520   6.267  -2.836
  203    HE2  PHE  27           HE2      PHE  27  -5.399   3.733  -0.900
  204    HZ   PHE  27           HZ       PHE  27  -4.625   4.958  -2.913
  205    H    LYS  28           H        LYS  28  -0.189   2.116   2.317
  206    HA   LYS  28           HA       LYS  28  -0.609   0.822  -0.354
  207   1HB   LYS  28          2HB       LYS  28   0.718  -0.996   0.570
  208   2HB   LYS  28          1HB       LYS  28   1.572   0.515   0.886
  209   1HG   LYS  28          2HG       LYS  28   0.720   0.575   3.166
  210   2HG   LYS  28          1HG       LYS  28  -0.270  -0.854   2.867
  211   1HD   LYS  28          2HD       LYS  28   2.549  -1.264   2.184
  212   2HD   LYS  28          1HD       LYS  28   2.307  -0.874   3.887
  213   1HE   LYS  28          2HE       LYS  28   0.251  -2.689   3.296
  214   2HE   LYS  28          1HE       LYS  28   1.687  -3.345   2.483
  215   1HZ   LYS  28          1HZ       LYS  28   1.943  -2.225   5.190
  216   2HZ   LYS  28          2HZ       LYS  28   2.879  -3.422   4.429
  217   3HZ   LYS  28          3HZ       LYS  28   1.326  -3.794   5.007
  218    H    GLU  29           H        GLU  29  -1.954  -1.168  -0.304
  219    HA   GLU  29           HA       GLU  29  -3.663  -1.503   2.112
  220   1HB   GLU  29          2HB       GLU  29  -5.683  -1.244   0.719
  221   2HB   GLU  29          1HB       GLU  29  -4.693   0.214   0.651
  222   1HG   GLU  29          2HG       GLU  29  -3.611  -1.129  -1.418
  223   2HG   GLU  29          1HG       GLU  29  -5.240  -1.803  -1.467
  224    H    SER  30           H        SER  30  -3.946  -3.664   2.470
  225    HA   SER  30           HA       SER  30  -3.572  -5.542   0.158
  226   1HB   SER  30          2HB       SER  30  -2.053  -5.322   2.376
  227   2HB   SER  30          1HB       SER  30  -3.285  -6.419   2.995
  228    HG   SER  30           HG       SER  30  -2.201  -6.921   0.467
  229    H    TRP  31           H        TRP  31  -5.317  -6.855  -0.303
  230    HA   TRP  31           HA       TRP  31  -7.673  -6.715   1.522
  231   1HB   TRP  31          2HB       TRP  31  -7.297  -7.617  -1.352
  232   2HB   TRP  31          1HB       TRP  31  -8.850  -7.548  -0.517
  233    HD1  TRP  31           HD1      TRP  31  -7.018  -5.603  -2.858
  234    HE1  TRP  31           HE1      TRP  31  -7.583  -3.091  -2.722
  235    HE3  TRP  31           HE3      TRP  31  -9.333  -5.464   1.692
  236    HZ2  TRP  31           HZ2      TRP  31  -8.853  -1.265  -0.923
  237    HZ3  TRP  31           HZ3      TRP  31 -10.212  -3.328   2.591
  238    HH2  TRP  31           HH2      TRP  31  -9.975  -1.231   1.290
  239    H    ARG  32           H        ARG  32  -8.452  -8.556   2.536
  240    HA   ARG  32           HA       ARG  32  -6.864 -11.065   2.186
  241   1HB   ARG  32          2HB       ARG  32  -7.304  -9.693   4.402
  242   2HB   ARG  32          1HB       ARG  32  -8.854 -10.536   4.376
  243   1HG   ARG  32          2HG       ARG  32  -7.584 -12.701   4.137
  244   2HG   ARG  32          1HG       ARG  32  -6.096 -11.790   4.399
  245   1HD   ARG  32          2HD       ARG  32  -6.466 -12.196   6.615
  246   2HD   ARG  32          1HD       ARG  32  -7.715 -10.940   6.491
  247    HE   ARG  32           HE       ARG  32  -8.204 -13.871   6.323
  248   1HH1  ARG  32          2HH1      ARG  32  -9.375 -11.604   8.173
  249   2HH1  ARG  32          1HH1      ARG  32 -11.003 -11.576   7.583
  250   1HH2  ARG  32          1HH2      ARG  32 -10.285 -13.417   4.735
  251   2HH2  ARG  32          2HH2      ARG  32 -11.518 -12.601   5.637
  252    H    GLU  33           H        GLU  33  -7.848 -12.509   0.815
  253    HA   GLU  33           HA       GLU  33 -10.841 -12.584   0.735
  254   1HB   GLU  33          2HB       GLU  33  -8.890 -12.362  -1.235
  255   2HB   GLU  33          1HB       GLU  33  -9.347 -14.065  -1.304
  256   1HG   GLU  33          2HG       GLU  33 -11.500 -11.983  -1.133
  257   2HG   GLU  33          1HG       GLU  33 -10.716 -12.283  -2.685
  258    H    ALA  34           H        ALA  34 -11.844 -14.729   0.679
  259    HA   ALA  34           HA       ALA  34 -10.644 -16.613   2.534
  260   1HB   ALA  34          1HB       ALA  34 -12.742 -17.729   2.298
  261   2HB   ALA  34          2HB       ALA  34 -13.000 -17.055   0.688
  262   3HB   ALA  34          3HB       ALA  34 -13.111 -16.015   2.108
  263    H    ARG  35           H        ARG  35 -10.249 -16.110  -0.806
  264    HA   ARG  35           HA       ARG  35  -9.425 -18.964  -1.227
  265   1HB   ARG  35          2HB       ARG  35 -11.298 -17.886  -2.596
  266   2HB   ARG  35          1HB       ARG  35 -10.055 -16.860  -3.310
  267   1HG   ARG  35          2HG       ARG  35  -8.852 -19.232  -3.651
  268   2HG   ARG  35          1HG       ARG  35 -10.529 -19.783  -3.657
  269   1HD   ARG  35          2HD       ARG  35 -10.562 -19.176  -5.852
  270   2HD   ARG  35          1HD       ARG  35 -10.565 -17.498  -5.273
  271    HE   ARG  35           HE       ARG  35  -7.965 -18.932  -5.564
  272   1HH1  ARG  35          1HH2      ARG  35  -9.150 -17.885  -8.149
  273   2HH1  ARG  35          2HH2      ARG  35  -8.428 -16.313  -8.247
  274   1HH2  ARG  35          2HH1      ARG  35  -7.459 -16.259  -4.918
  275   2HH2  ARG  35          1HH1      ARG  35  -7.471 -15.394  -6.418
  276    H    GLY  36           H        GLY  36  -8.170 -15.943  -0.583
  277   1HA   GLY  36          2HA       GLY  36  -5.480 -16.578  -0.903
  278   2HA   GLY  36          1HA       GLY  36  -5.956 -15.887  -2.454
  279    H    THR  37           H        THR  37  -4.310 -14.207  -1.731
  280    HA   THR  37           HA       THR  37  -5.737 -12.059  -0.216
  281    HB   THR  37           HB       THR  37  -2.794 -12.438   0.152
  282    HG1  THR  37           HG1      THR  37  -3.607 -14.521   0.428
  283   1HG2  THR  37          1HG2      THR  37  -3.214 -11.443   2.256
  284   2HG2  THR  37          2HG2      THR  37  -4.927 -11.859   2.205
  285   3HG2  THR  37          3HG2      THR  37  -4.294 -10.594   1.150
  286    H    ARG  38           H        ARG  38  -5.213  -9.942  -0.941
  287    HA   ARG  38           HA       ARG  38  -3.465  -9.811  -3.380
  288   1HB   ARG  38          2HB       ARG  38  -6.089  -8.454  -2.686
  289   2HB   ARG  38          1HB       ARG  38  -5.110  -8.021  -4.090
  290   1HG   ARG  38          2HG       ARG  38  -6.084 -10.839  -3.556
  291   2HG   ARG  38          1HG       ARG  38  -6.967  -9.686  -4.558
  292   1HD   ARG  38          2HD       ARG  38  -5.256  -9.615  -6.196
  293   2HD   ARG  38          1HD       ARG  38  -4.056 -10.319  -5.093
  294    HE   ARG  38           HE       ARG  38  -6.429 -11.856  -6.092
  295   1HH1  ARG  38          2HH1      ARG  38  -4.369 -12.576  -3.795
  296   2HH1  ARG  38          1HH1      ARG  38  -3.452 -13.789  -4.625
  297   1HH2  ARG  38          1HH2      ARG  38  -4.718 -12.989  -7.751
  298   2HH2  ARG  38          2HH2      ARG  38  -3.649 -14.022  -6.863
  299    H    ILE  39           H        ILE  39  -2.227  -7.854  -3.603
  300    HA   ILE  39           HA       ILE  39  -2.243  -5.996  -1.261
  301    HB   ILE  39           HB       ILE  39  -0.560  -7.921  -1.106
  302   1HG1  ILE  39          2HG1      ILE  39   0.557  -5.100  -1.227
  303   2HG1  ILE  39          1HG1      ILE  39  -0.339  -5.771   0.137
  304   1HG2  ILE  39          1HG2      ILE  39   0.942  -6.331  -3.191
  305   2HG2  ILE  39          2HG2      ILE  39  -0.051  -7.723  -3.623
  306   3HG2  ILE  39          3HG2      ILE  39   1.331  -7.925  -2.546
  307   1HD1  ILE  39          1HD1      ILE  39   1.434  -6.998   0.856
  308   2HD1  ILE  39          2HD1      ILE  39   2.388  -5.887  -0.126
  309   3HD1  ILE  39          3HD1      ILE  39   1.904  -7.450  -0.783
  310    H    GLU  40           H        GLU  40  -2.240  -3.905  -1.992
  311    HA   GLU  40           HA       GLU  40  -0.922  -3.300  -4.608
  312   1HB   GLU  40          2HB       GLU  40  -3.285  -3.617  -5.053
  313   2HB   GLU  40          1HB       GLU  40  -3.724  -2.598  -3.682
  314   1HG   GLU  40          2HG       GLU  40  -2.348  -0.756  -4.891
  315   2HG   GLU  40          1HG       GLU  40  -2.508  -1.784  -6.316
  316    H    ARG  41           H        ARG  41  -0.182  -1.093  -4.759
  317    HA   ARG  41           HA       ARG  41  -0.364   0.508  -2.231
  318   1HB   ARG  41          2HB       ARG  41   2.057  -0.219  -3.907
  319   2HB   ARG  41          1HB       ARG  41   2.085   1.015  -2.646
  320   1HG   ARG  41          2HG       ARG  41   1.859  -0.526  -0.937
  321   2HG   ARG  41          1HG       ARG  41   0.986  -1.676  -1.950
  322   1HD   ARG  41          2HD       ARG  41   3.072  -2.730  -1.773
  323   2HD   ARG  41          1HD       ARG  41   3.309  -1.777  -3.251
  324    HE   ARG  41           HE       ARG  41   4.341  -0.007  -1.791
  325   1HH1  ARG  41          2HH1      ARG  41   5.027  -3.251  -1.434
  326   2HH1  ARG  41          1HH1      ARG  41   5.807  -3.108   0.105
  327   1HH2  ARG  41          1HH2      ARG  41   4.891   0.205   0.560
  328   2HH2  ARG  41          2HH2      ARG  41   5.728  -1.154   1.236
  329    H    GLY  42           H        GLY  42   0.897   2.767  -2.905
  330   1HA   GLY  42          2HA       GLY  42   0.906   3.853  -5.435
  331   2HA   GLY  42          1HA       GLY  42  -0.800   3.911  -4.989
  332    H    CYS  43           H        CYS  43  -0.853   6.200  -4.858
  333    HA   CYS  43           HA       CYS  43   0.401   7.303  -2.387
  334   1HB   CYS  43          2HB       CYS  43   1.353   7.694  -5.004
  335   2HB   CYS  43          1HB       CYS  43   0.484   9.177  -4.609
  336    H    ALA  44           H        ALA  44  -1.152   8.429  -1.265
  337    HA   ALA  44           HA       ALA  44  -3.154  10.057  -2.679
  338   1HB   ALA  44          1HB       ALA  44  -5.055   8.751  -1.937
  339   2HB   ALA  44          2HB       ALA  44  -4.014   7.691  -0.987
  340   3HB   ALA  44          3HB       ALA  44  -3.942   7.651  -2.750
  341    H    ALA  45           H        ALA  45  -4.987  10.243  -0.529
  342    HA   ALA  45           HA       ALA  45  -3.340  11.022   1.834
  343   1HB   ALA  45          1HB       ALA  45  -3.675  13.237   1.469
  344   2HB   ALA  45          2HB       ALA  45  -5.382  12.987   1.098
  345   3HB   ALA  45          3HB       ALA  45  -4.166  12.780  -0.163
  346    H    THR  46           H        THR  46  -5.662   9.089   0.920
  347    HA   THR  46           HA       THR  46  -7.771   9.890   2.856
  348    HB   THR  46           HB       THR  46  -7.678   7.446   1.081
  349    HG1  THR  46           HG1      THR  46  -8.622  10.006   0.337
  350   1HG2  THR  46          1HG2      THR  46  -9.696   7.211   2.069
  351   2HG2  THR  46          2HG2      THR  46 -10.211   8.567   1.065
  352   3HG2  THR  46          3HG2      THR  46  -9.657   8.852   2.715
  353    H    CYS  47           H        CYS  47  -5.778   6.988   2.139
  354    HA   CYS  47           HA       CYS  47  -5.137   5.205   3.559
  355   1HB   CYS  47          2HB       CYS  47  -3.881   7.233   4.380
  356   2HB   CYS  47          1HB       CYS  47  -5.161   7.479   5.570
  357    HA   PRO  48           HA       PRO  48  -9.432   5.001   5.353
  358   1HB   PRO  48          2HB       PRO  48 -10.228   2.800   3.934
  359   2HB   PRO  48          1HB       PRO  48 -10.417   4.459   3.332
  360   1HG   PRO  48          2HG       PRO  48  -8.364   2.420   2.646
  361   2HG   PRO  48          1HG       PRO  48  -9.166   3.609   1.609
  362   1HD   PRO  48          2HD       PRO  48  -6.628   3.908   2.581
  363   2HD   PRO  48          1HD       PRO  48  -7.688   5.267   2.145
  364    H    LYS  49           H        LYS  49 -10.424   2.724   6.208
  365    HA   LYS  49           HA       LYS  49  -8.149   1.104   7.305
  366   1HB   LYS  49          2HB       LYS  49 -10.551   2.373   8.627
  367   2HB   LYS  49          1HB       LYS  49  -9.688   1.036   9.385
  368   1HG   LYS  49          2HG       LYS  49  -7.862   3.084   8.401
  369   2HG   LYS  49          1HG       LYS  49  -9.011   3.735   9.570
  370   1HD   LYS  49          2HD       LYS  49  -8.049   1.147  10.441
  371   2HD   LYS  49          1HD       LYS  49  -6.694   2.233  10.132
  372   1HE   LYS  49          2HE       LYS  49  -9.072   3.240  11.685
  373   2HE   LYS  49          1HE       LYS  49  -7.816   2.287  12.501
  374   1HZ   LYS  49          1HZ       LYS  49  -7.591   4.890  11.159
  375   2HZ   LYS  49          2HZ       LYS  49  -6.250   3.848  11.142
  376   3HZ   LYS  49          3HZ       LYS  49  -6.902   4.371  12.620
  377    H    GLY  50           H        GLY  50  -9.458  -0.856   8.588
  378   1HA   GLY  50          2HA       GLY  50 -11.750  -1.854   7.071
  379   2HA   GLY  50          1HA       GLY  50 -10.255  -2.735   6.753
  380    H    SER  51           H        SER  51 -11.771  -4.471   7.772
  381    HA   SER  51           HA       SER  51 -10.784  -5.198  10.334
  382   1HB   SER  51          2HB       SER  51 -13.245  -4.696  11.366
  383   2HB   SER  51          1HB       SER  51 -11.901  -3.565  11.497
  384    HG   SER  51           HG       SER  51 -14.205  -3.151  10.346
  385    H    VAL  52           H        VAL  52 -14.207  -5.251   9.340
  386    HA   VAL  52           HA       VAL  52 -14.599  -8.023   9.755
  387    HB   VAL  52           HB       VAL  52 -15.908  -6.013   7.900
  388   1HG1  VAL  52          1HG1      VAL  52 -17.324  -7.608   7.163
  389   2HG1  VAL  52          2HG1      VAL  52 -17.568  -8.233   8.794
  390   3HG1  VAL  52          3HG1      VAL  52 -16.200  -8.793   7.831
  391   1HG2  VAL  52          1HG2      VAL  52 -16.004  -5.473  10.304
  392   2HG2  VAL  52          2HG2      VAL  52 -16.646  -7.081  10.644
  393   3HG2  VAL  52          3HG2      VAL  52 -17.600  -5.930   9.708
  394    H    TYR  53           H        TYR  53 -14.364  -6.443   6.540
  395    HA   TYR  53           HA       TYR  53 -14.084  -8.710   4.942
  396   1HB   TYR  53          2HB       TYR  53 -13.218  -5.868   4.875
  397   2HB   TYR  53          1HB       TYR  53 -12.419  -6.940   3.725
  398    HD1  TYR  53           HD1      TYR  53 -15.858  -7.458   4.987
  399    HD2  TYR  53           HD2      TYR  53 -13.442  -6.061   1.722
  400    HE1  TYR  53           HE1      TYR  53 -17.864  -7.392   3.531
  401    HE2  TYR  53           HE2      TYR  53 -15.447  -5.996   0.265
  402    HH   TYR  53           HH       TYR  53 -17.843  -5.868   0.445
  403    H    GLY  54           H        GLY  54 -11.337  -6.806   6.251
  404   1HA   GLY  54          2HA       GLY  54  -9.474  -7.969   7.392
  405   2HA   GLY  54          1HA       GLY  54  -9.757  -9.343   6.319
  406    H    LEU  55           H        LEU  55  -7.994  -6.454   6.728
  407    HA   LEU  55           HA       LEU  55  -6.613  -6.905   4.171
  408   1HB   LEU  55          2HB       LEU  55  -7.052  -4.433   3.561
  409   2HB   LEU  55          1HB       LEU  55  -8.372  -5.570   3.323
  410    HG   LEU  55           HG       LEU  55  -8.963  -3.348   4.446
  411   1HD1  LEU  55          1HD1      LEU  55 -10.758  -4.381   5.362
  412   2HD1  LEU  55          2HD1      LEU  55  -9.765  -5.417   6.385
  413   3HD1  LEU  55          3HD1      LEU  55 -10.037  -5.846   4.697
  414   1HD2  LEU  55          1HD2      LEU  55  -7.807  -4.646   6.916
  415   2HD2  LEU  55          2HD2      LEU  55  -8.401  -3.000   6.724
  416   3HD2  LEU  55          3HD2      LEU  55  -6.889  -3.486   5.960
  417    H    TYR  56           H        TYR  56  -4.935  -4.940   3.928
  418    HA   TYR  56           HA       TYR  56  -3.895  -4.193   6.631
  419   1HB   TYR  56          2HB       TYR  56  -2.945  -6.273   5.093
  420   2HB   TYR  56          1HB       TYR  56  -1.894  -4.944   4.600
  421    HD1  TYR  56           HD1      TYR  56  -1.201  -3.370   6.727
  422    HD2  TYR  56           HD2      TYR  56  -2.174  -7.550   6.873
  423    HE1  TYR  56           HE1      TYR  56   0.078  -3.593   8.840
  424    HE2  TYR  56           HE2      TYR  56  -0.895  -7.774   8.986
  425    HH   TYR  56           HH       TYR  56   1.017  -5.100  10.267
  426    H    VAL  57           H        VAL  57  -4.361  -1.970   6.318
  427    HA   VAL  57           HA       VAL  57  -3.214  -0.675   3.878
  428    HB   VAL  57           HB       VAL  57  -5.600  -0.353   4.260
  429   1HG1  VAL  57          1HG1      VAL  57  -6.107  -0.671   6.480
  430   2HG1  VAL  57          2HG1      VAL  57  -6.020   1.091   6.488
  431   3HG1  VAL  57          3HG1      VAL  57  -4.642   0.138   7.038
  432   1HG2  VAL  57          1HG2      VAL  57  -4.563   1.596   3.347
  433   2HG2  VAL  57          2HG2      VAL  57  -3.847   2.029   4.899
  434   3HG2  VAL  57          3HG2      VAL  57  -5.588   2.181   4.658
  435    H    LEU  58           H        LEU  58  -1.782   1.100   4.131
  436    HA   LEU  58           HA       LEU  58  -1.075   2.057   6.831
  437   1HB   LEU  58          2HB       LEU  58   0.105  -0.212   6.105
  438   2HB   LEU  58          1HB       LEU  58   1.148   0.883   5.197
  439    HG   LEU  58           HG       LEU  58   0.563   1.586   8.037
  440   1HD1  LEU  58          1HD1      LEU  58   2.831   0.074   8.297
  441   2HD1  LEU  58          2HD1      LEU  58   1.898  -0.895   7.157
  442   3HD1  LEU  58          3HD1      LEU  58   1.213  -0.483   8.728
  443   1HD2  LEU  58          1HD2      LEU  58   3.272   1.580   6.782
  444   2HD2  LEU  58          2HD2      LEU  58   2.534   2.772   7.853
  445   3HD2  LEU  58          3HD2      LEU  58   2.089   2.724   6.147
  446    H    CYS  59           H        CYS  59  -0.632   4.223   6.592
  447    HA   CYS  59           HA       CYS  59   0.450   5.144   3.950
  448   1HB   CYS  59          2HB       CYS  59  -0.933   7.231   4.494
  449   2HB   CYS  59          1HB       CYS  59  -1.849   5.780   4.093
  450    H    CYS  60           H        CYS  60   2.004   6.800   4.029
  451    HA   CYS  60           HA       CYS  60   2.778   7.960   6.640
  452   1HB   CYS  60          2HB       CYS  60   3.895   5.732   6.449
  453   2HB   CYS  60          1HB       CYS  60   4.643   6.265   4.945
  454    H    THR  61           H        THR  61   4.434   9.684   6.316
  455    HA   THR  61           HA       THR  61   4.640  10.643   3.512
  456    HB   THR  61           HB       THR  61   2.776  11.769   4.646
  457    HG1  THR  61           HG1      THR  61   3.422  13.756   4.119
  458   1HG2  THR  61          1HG2      THR  61   3.847  13.336   6.617
  459   2HG2  THR  61          2HG2      THR  61   4.759  11.841   6.827
  460   3HG2  THR  61          3HG2      THR  61   2.997  11.818   6.906
  461    H    THR  62           H        THR  62   6.863   9.600   3.984
  462    HA   THR  62           HA       THR  62   8.743  11.720   4.743
  463    HB   THR  62           HB       THR  62   8.211   9.269   6.432
  464    HG1  THR  62           HG1      THR  62   8.337  12.060   6.821
  465   1HG2  THR  62          1HG2      THR  62  10.769  10.461   5.791
  466   2HG2  THR  62          2HG2      THR  62  10.420   9.050   6.790
  467   3HG2  THR  62          3HG2      THR  62  10.408  10.661   7.507
  468    H    ASP  63           H        ASP  63   9.061   8.175   4.908
  469    HA   ASP  63           HA       ASP  63  10.238   7.916   2.262
  470   1HB   ASP  63          2HB       ASP  63  12.037   9.140   3.333
  471   2HB   ASP  63          1HB       ASP  63  11.991   8.069   4.734
  472    H    ASP  64           H        ASP  64  10.299   5.730   1.702
  473    HA   ASP  64           HA       ASP  64  10.009   3.391   1.962
  474   1HB   ASP  64          2HB       ASP  64  11.620   4.407   4.135
  475   2HB   ASP  64          1HB       ASP  64  10.647   3.047   4.699
  476    H    CYS  65           H        CYS  65   9.142   4.458   5.309
  477    HA   CYS  65           HA       CYS  65   6.968   2.819   5.759
  478   1HB   CYS  65          2HB       CYS  65   6.179   4.637   7.240
  479   2HB   CYS  65          1HB       CYS  65   7.934   4.486   7.323
  480    H    ASN  66           HN       ASN  66   7.143   5.563   3.589
  481    HA   ASN  66           HA       ASN  66   4.546   6.340   3.097
  482   1HB   ASN  66          2HB       ASN  66   6.973   5.805   1.433
  483   2HB   ASN  66          1HB       ASN  66   5.472   6.180   0.591
  484   1HD2  ASN  66          1HD2      ASN  66   8.169   7.610   2.043
  485   2HD2  ASN  66          2HD2      ASN  66   7.540   9.170   2.269
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1  13.985  11.526  -0.591
    2   2H    MET   1          2H        MET   1  13.676  10.590  -1.975
    3   3H    MET   1          3H        MET   1  14.099   9.836  -0.512
    4    HA   MET   1           HA       MET   1  12.018   9.966   0.332
    5   1HB   MET   1          2HB       MET   1  12.449  12.670  -0.727
    6   2HB   MET   1          1HB       MET   1  10.755  12.177  -0.770
    7   1HG   MET   1          2HG       MET   1  11.206  11.353   1.676
    8   2HG   MET   1          1HG       MET   1  12.580  12.459   1.603
    9   1HE   MET   1          1HE       MET   1  10.063  11.996   3.199
   10   2HE   MET   1          2HE       MET   1   8.568  12.632   2.517
   11   3HE   MET   1          3HE       MET   1   9.480  13.596   3.676
   12    H    LYS   2           H        LYS   2  11.230   8.183  -0.820
   13    HA   LYS   2           HA       LYS   2   9.524   8.775  -3.162
   14   1HB   LYS   2          2HB       LYS   2  12.170   7.430  -3.213
   15   2HB   LYS   2          1HB       LYS   2  10.896   6.634  -4.136
   16   1HG   LYS   2          2HG       LYS   2  10.816   8.291  -5.693
   17   2HG   LYS   2          1HG       LYS   2  11.012   9.562  -4.487
   18   1HD   LYS   2          2HD       LYS   2  13.467   8.424  -4.359
   19   2HD   LYS   2          1HD       LYS   2  13.072   8.104  -6.048
   20   1HE   LYS   2          2HE       LYS   2  12.371  10.618  -6.129
   21   2HE   LYS   2          1HE       LYS   2  13.348  10.765  -4.654
   22   1HZ   LYS   2          1HZ       LYS   2  15.250  10.179  -5.733
   23   2HZ   LYS   2          2HZ       LYS   2  14.443  10.917  -7.033
   24   3HZ   LYS   2          3HZ       LYS   2  14.451   9.225  -6.884
   25    H    CYS   3           H        CYS   3   8.850   6.281  -3.958
   26    HA   CYS   3           HA       CYS   3   8.299   4.648  -1.522
   27   1HB   CYS   3          2HB       CYS   3   6.500   6.403  -2.077
   28   2HB   CYS   3          1HB       CYS   3   6.153   5.428  -3.504
   29    H    LYS   4           H        LYS   4   9.036   2.645  -2.093
   30    HA   LYS   4           HA       LYS   4   9.247   1.799  -4.885
   31   1HB   LYS   4          2HB       LYS   4  10.860   1.272  -3.030
   32   2HB   LYS   4          1HB       LYS   4   9.615   0.260  -2.295
   33   1HG   LYS   4          2HG       LYS   4   9.508  -1.013  -4.490
   34   2HG   LYS   4          1HG       LYS   4  10.953  -0.128  -4.983
   35   1HD   LYS   4          2HD       LYS   4  11.620  -1.022  -2.452
   36   2HD   LYS   4          1HD       LYS   4  10.691  -2.369  -3.112
   37   1HE   LYS   4          2HE       LYS   4  12.885  -1.038  -4.717
   38   2HE   LYS   4          1HE       LYS   4  13.219  -2.387  -3.612
   39   1HZ   LYS   4          1HZ       LYS   4  10.993  -2.524  -5.547
   40   2HZ   LYS   4          2HZ       LYS   4  11.802  -3.797  -4.765
   41   3HZ   LYS   4          3HZ       LYS   4  12.568  -2.943  -6.018
   42    H    ILE   5           H        ILE   5   7.676   0.689  -5.995
   43    HA   ILE   5           HA       ILE   5   5.427  -0.509  -4.408
   44    HB   ILE   5           HB       ILE   5   5.438   0.535  -7.255
   45   1HG1  ILE   5          2HG1      ILE   5   3.998   2.073  -5.207
   46   2HG1  ILE   5          1HG1      ILE   5   5.746   2.058  -4.964
   47   1HG2  ILE   5          1HG2      ILE   5   3.148   0.183  -7.256
   48   2HG2  ILE   5          2HG2      ILE   5   3.023   0.308  -5.502
   49   3HG2  ILE   5          3HG2      ILE   5   3.668  -1.160  -6.237
   50   1HD1  ILE   5          1HD1      ILE   5   4.763   2.511  -7.743
   51   2HD1  ILE   5          2HD1      ILE   5   6.169   3.191  -6.922
   52   3HD1  ILE   5          3HD1      ILE   5   4.558   3.830  -6.590
   53    H    CYS   6           H        CYS   6   5.098  -2.683  -4.676
   54    HA   CYS   6           HA       CYS   6   5.624  -4.117  -7.129
   55   1HB   CYS   6          2HB       CYS   6   7.591  -5.406  -6.190
   56   2HB   CYS   6          1HB       CYS   6   7.934  -3.707  -6.515
   57    H    ASN   7           H        ASN   7   3.482  -3.957  -5.191
   58    HA   ASN   7           HA       ASN   7   2.130  -5.335  -3.801
   59   1HB   ASN   7          2HB       ASN   7   3.344  -7.243  -5.826
   60   2HB   ASN   7          1HB       ASN   7   1.903  -7.586  -4.869
   61   1HD2  ASN   7          1HD2      ASN   7   2.809  -6.513  -7.883
   62   2HD2  ASN   7          2HD2      ASN   7   1.450  -5.571  -8.267
   63    H    PHE   8           H        PHE   8   3.310  -5.254  -1.787
   64    HA   PHE   8           HA       PHE   8   5.643  -6.537  -1.019
   65   1HB   PHE   8          2HB       PHE   8   3.223  -5.512   0.184
   66   2HB   PHE   8          1HB       PHE   8   3.764  -6.945   1.059
   67    HD1  PHE   8           HD1      PHE   8   4.726  -3.549  -0.068
   68    HD2  PHE   8           HD2      PHE   8   5.829  -6.955   2.307
   69    HE1  PHE   8           HE1      PHE   8   6.520  -2.218   1.009
   70    HE2  PHE   8           HE2      PHE   8   7.623  -5.624   3.383
   71    HZ   PHE   8           HZ       PHE   8   7.968  -3.255   2.734
   72    H    ASP   9           H        ASP   9   5.908  -8.622   0.221
   73    HA   ASP   9           HA       ASP   9   5.594 -10.957   0.498
   74   1HB   ASP   9          2HB       ASP   9   3.070  -9.815   0.403
   75   2HB   ASP   9          1HB       ASP   9   2.993 -11.039  -0.865
   76    H    THR  10           H        THR  10   5.877  -9.318  -2.346
   77    HA   THR  10           HA       THR  10   6.975 -11.469  -3.844
   78    HB   THR  10           HB       THR  10   4.784 -12.416  -3.913
   79    HG1  THR  10           HG1      THR  10   5.960 -11.822  -6.018
   80   1HG2  THR  10          1HG2      THR  10   3.350 -10.740  -3.136
   81   2HG2  THR  10          2HG2      THR  10   2.880 -10.880  -4.830
   82   3HG2  THR  10          3HG2      THR  10   3.932  -9.563  -4.312
   83    H    CYS  11           H        CYS  11   8.230  -9.286  -3.846
   84    HA   CYS  11           HA       CYS  11   7.201  -7.274  -5.750
   85   1HB   CYS  11          2HB       CYS  11   9.576  -7.578  -3.916
   86   2HB   CYS  11          1HB       CYS  11   9.504  -6.265  -5.092
   87    H    ARG  12           H        ARG  12   7.433  -7.808  -7.888
   88    HA   ARG  12           HA       ARG  12  10.045  -9.009  -8.753
   89   1HB   ARG  12          2HB       ARG  12   7.173  -9.431  -9.568
   90   2HB   ARG  12          1HB       ARG  12   8.477  -9.814 -10.693
   91   1HG   ARG  12          2HG       ARG  12   8.962 -10.841  -7.990
   92   2HG   ARG  12          1HG       ARG  12   7.508 -11.510  -8.731
   93   1HD   ARG  12          2HD       ARG  12   8.798 -12.873  -9.996
   94   2HD   ARG  12          1HD       ARG  12   9.571 -11.450 -10.724
   95    HE   ARG  12           HE       ARG  12  10.959 -11.462  -8.491
   96   1HH1  ARG  12          1HH2      ARG  12   9.739 -14.120  -7.680
   97   2HH1  ARG  12          2HH2      ARG  12  10.956 -15.232  -8.209
   98   1HH2  ARG  12          2HH1      ARG  12  12.543 -12.929 -10.260
   99   2HH2  ARG  12          1HH1      ARG  12  12.545 -14.558  -9.669
  100    H    ALA  13           H        ALA  13   7.903  -6.353  -8.972
  101    HA   ALA  13           HA       ALA  13   8.936  -5.469 -11.618
  102   1HB   ALA  13          1HB       ALA  13   6.654  -5.075 -11.504
  103   2HB   ALA  13          2HB       ALA  13   7.242  -3.541 -10.863
  104   3HB   ALA  13          3HB       ALA  13   6.687  -4.800  -9.761
  105    H    GLY  14           H        GLY  14   8.496  -3.982  -8.376
  106   1HA   GLY  14          2HA       GLY  14  10.042  -2.673  -7.146
  107   2HA   GLY  14          1HA       GLY  14  11.229  -2.936  -8.424
  108    H    GLU  15           H        GLU  15   7.946  -1.605  -8.752
  109    HA   GLU  15           HA       GLU  15   9.037   0.681 -10.261
  110   1HB   GLU  15          2HB       GLU  15   6.633  -0.839 -10.088
  111   2HB   GLU  15          1HB       GLU  15   6.220   0.831  -9.696
  112   1HG   GLU  15          2HG       GLU  15   6.224   1.235 -11.916
  113   2HG   GLU  15          1HG       GLU  15   7.977   1.054 -11.855
  114    H    LEU  16           H        LEU  16  10.055   2.089  -8.773
  115    HA   LEU  16           HA       LEU  16   8.532   2.914  -6.351
  116   1HB   LEU  16          2HB       LEU  16  10.820   2.292  -5.986
  117   2HB   LEU  16          1HB       LEU  16  11.370   3.269  -7.347
  118    HG   LEU  16           HG       LEU  16   9.872   4.669  -5.181
  119   1HD1  LEU  16          1HD1      LEU  16  11.272   3.944  -3.563
  120   2HD1  LEU  16          2HD1      LEU  16  12.545   4.834  -4.397
  121   3HD1  LEU  16          3HD1      LEU  16  12.304   3.119  -4.732
  122   1HD2  LEU  16          1HD2      LEU  16  12.372   5.828  -6.063
  123   2HD2  LEU  16          2HD2      LEU  16  10.733   6.447  -6.268
  124   3HD2  LEU  16          3HD2      LEU  16  11.410   5.335  -7.457
  125    H    LYS  17           H        LYS  17   8.253   5.228  -5.919
  126    HA   LYS  17           HA       LYS  17   8.700   7.140  -8.118
  127   1HB   LYS  17          2HB       LYS  17   6.441   5.620  -8.197
  128   2HB   LYS  17          1HB       LYS  17   5.877   6.968  -7.209
  129   1HG   LYS  17          2HG       LYS  17   5.458   7.477  -9.555
  130   2HG   LYS  17          1HG       LYS  17   6.728   8.543  -8.955
  131   1HD   LYS  17          2HD       LYS  17   7.716   5.990 -10.044
  132   2HD   LYS  17          1HD       LYS  17   6.926   7.027 -11.234
  133   1HE   LYS  17          2HE       LYS  17   8.516   8.789  -9.744
  134   2HE   LYS  17          1HE       LYS  17   9.534   7.353  -9.979
  135   1HZ   LYS  17          1HZ       LYS  17   8.174   8.998 -12.025
  136   2HZ   LYS  17          2HZ       LYS  17   8.635   7.395 -12.353
  137   3HZ   LYS  17          3HZ       LYS  17   9.809   8.553 -11.944
  138    H    VAL  18           H        VAL  18   6.409   8.751  -6.888
  139    HA   VAL  18           HA       VAL  18   7.526   9.303  -4.180
  140    HB   VAL  18           HB       VAL  18   7.109  11.488  -6.225
  141   1HG1  VAL  18          1HG1      VAL  18   7.371  12.534  -4.188
  142   2HG1  VAL  18          2HG1      VAL  18   9.071  12.337  -4.610
  143   3HG1  VAL  18          3HG1      VAL  18   8.300  11.200  -3.505
  144   1HG2  VAL  18          1HG2      VAL  18   9.576   9.800  -5.718
  145   2HG2  VAL  18          2HG2      VAL  18   9.631  11.370  -6.519
  146   3HG2  VAL  18          3HG2      VAL  18   8.737  10.037  -7.252
  147    H    CYS  19           H        CYS  19   6.070  10.734  -2.919
  148    HA   CYS  19           HA       CYS  19   3.397  11.319  -4.002
  149   1HB   CYS  19          2HB       CYS  19   3.455   8.856  -3.456
  150   2HB   CYS  19          1HB       CYS  19   3.756   9.293  -1.774
  151    H    ALA  20           H        ALA  20   5.519  11.089  -1.155
  152    HA   ALA  20           HA       ALA  20   3.995  12.745   0.608
  153   1HB   ALA  20          1HB       ALA  20   6.544  13.140   1.396
  154   2HB   ALA  20          2HB       ALA  20   6.798  11.777   0.305
  155   3HB   ALA  20          3HB       ALA  20   5.699  11.617   1.675
  156    H    SER  21           H        SER  21   3.331  14.372  -1.156
  157    HA   SER  21           HA       SER  21   5.407  16.321  -1.942
  158   1HB   SER  21          2HB       SER  21   2.924  15.380  -2.907
  159   2HB   SER  21          1HB       SER  21   2.661  17.070  -2.486
  160    HG   SER  21           HG       SER  21   3.497  17.201  -4.471
  161    H    GLY  22           H        GLY  22   4.241  15.855   0.944
  162   1HA   GLY  22          2HA       GLY  22   4.517  17.644   2.629
  163   2HA   GLY  22          1HA       GLY  22   3.781  18.760   1.477
  164    H    GLU  23           H        GLU  23   1.922  16.268   0.903
  165    HA   GLU  23           HA       GLU  23   0.257  16.254   3.341
  166   1HB   GLU  23          2HB       GLU  23  -0.034  18.224   1.341
  167   2HB   GLU  23          1HB       GLU  23  -1.363  17.093   1.089
  168   1HG   GLU  23          2HG       GLU  23  -1.055  17.546   3.908
  169   2HG   GLU  23          1HG       GLU  23  -1.151  19.103   3.086
  170    H    LYS  24           H        LYS  24   1.632  14.422   1.238
  171    HA   LYS  24           HA       LYS  24  -0.744  12.642   0.835
  172   1HB   LYS  24          2HB       LYS  24   1.220  13.782  -1.103
  173   2HB   LYS  24          1HB       LYS  24   0.711  12.113  -1.365
  174   1HG   LYS  24          2HG       LYS  24  -1.262  12.807  -2.192
  175   2HG   LYS  24          1HG       LYS  24  -1.592  13.707  -0.711
  176   1HD   LYS  24          2HD       LYS  24  -1.365  15.596  -1.918
  177   2HD   LYS  24          1HD       LYS  24   0.354  15.221  -2.044
  178   1HE   LYS  24          2HE       LYS  24  -1.340  13.714  -3.939
  179   2HE   LYS  24          1HE       LYS  24  -1.312  15.468  -4.210
  180   1HZ   LYS  24          1HZ       LYS  24   0.565  14.356  -5.298
  181   2HZ   LYS  24          2HZ       LYS  24   1.087  13.761  -3.794
  182   3HZ   LYS  24          3HZ       LYS  24   1.089  15.433  -4.098
  183    H    TYR  25           H        TYR  25  -0.057  10.338   0.499
  184    HA   TYR  25           HA       TYR  25   2.701   9.619   1.278
  185   1HB   TYR  25          2HB       TYR  25   1.636   8.234   3.214
  186   2HB   TYR  25          1HB       TYR  25   1.860   9.964   3.457
  187    HD1  TYR  25           HD1      TYR  25  -0.669   7.532   2.124
  188    HD2  TYR  25           HD2      TYR  25   0.043  11.255   4.145
  189    HE1  TYR  25           HE1      TYR  25  -3.107   7.798   2.492
  190    HE2  TYR  25           HE2      TYR  25  -2.395  11.521   4.513
  191    HH   TYR  25           HH       TYR  25  -4.437   9.709   4.669
  192    H    CYS  26           H        CYS  26   2.758   7.073   1.493
  193    HA   CYS  26           HA       CYS  26   1.371   5.997  -0.883
  194   1HB   CYS  26          2HB       CYS  26   3.755   5.495   0.708
  195   2HB   CYS  26          1HB       CYS  26   2.881   3.999   0.385
  196    H    PHE  27           H        PHE  27  -0.395   4.655  -0.774
  197    HA   PHE  27           HA       PHE  27  -1.337   3.822   1.944
  198   1HB   PHE  27          2HB       PHE  27  -3.539   3.906   0.965
  199   2HB   PHE  27          1HB       PHE  27  -2.693   5.363   0.442
  200    HD1  PHE  27           HD1      PHE  27  -4.210   2.223  -0.603
  201    HD2  PHE  27           HD2      PHE  27  -1.696   5.473  -1.856
  202    HE1  PHE  27           HE1      PHE  27  -4.551   1.574  -2.973
  203    HE2  PHE  27           HE2      PHE  27  -2.037   4.824  -4.225
  204    HZ   PHE  27           HZ       PHE  27  -3.463   2.874  -4.783
  205    H    LYS  28           H        LYS  28  -1.211   1.663   2.397
  206    HA   LYS  28           HA       LYS  28  -0.830  -0.248   0.125
  207   1HB   LYS  28          2HB       LYS  28   0.844   0.102   2.066
  208   2HB   LYS  28          1HB       LYS  28  -0.341  -0.736   3.067
  209   1HG   LYS  28          2HG       LYS  28   0.080  -2.163   0.580
  210   2HG   LYS  28          1HG       LYS  28   1.608  -1.921   1.425
  211   1HD   LYS  28          2HD       LYS  28  -0.758  -2.807   3.024
  212   2HD   LYS  28          1HD       LYS  28   0.045  -3.995   1.998
  213   1HE   LYS  28          2HE       LYS  28   2.232  -3.360   3.076
  214   2HE   LYS  28          1HE       LYS  28   1.316  -2.344   4.207
  215   1HZ   LYS  28          1HZ       LYS  28   0.553  -5.155   3.723
  216   2HZ   LYS  28          2HZ       LYS  28   0.167  -4.163   5.046
  217   3HZ   LYS  28          3HZ       LYS  28   1.744  -4.769   4.866
  218    H    GLU  29           H        GLU  29  -2.740  -1.238  -0.423
  219    HA   GLU  29           HA       GLU  29  -4.710  -1.834   1.755
  220   1HB   GLU  29          2HB       GLU  29  -5.331  -0.342  -0.181
  221   2HB   GLU  29          1HB       GLU  29  -5.079  -1.717  -1.255
  222   1HG   GLU  29          2HG       GLU  29  -6.923  -2.876  -0.430
  223   2HG   GLU  29          1HG       GLU  29  -6.888  -2.032   1.119
  224    H    SER  30           H        SER  30  -4.692  -3.957   2.384
  225    HA   SER  30           HA       SER  30  -3.859  -6.022   0.376
  226   1HB   SER  30          2HB       SER  30  -2.551  -5.501   2.564
  227   2HB   SER  30          1HB       SER  30  -3.879  -6.325   3.378
  228    HG   SER  30           HG       SER  30  -3.262  -8.177   2.531
  229    H    TRP  31           H        TRP  31  -5.576  -7.199  -0.357
  230    HA   TRP  31           HA       TRP  31  -8.128  -7.257   1.099
  231   1HB   TRP  31          2HB       TRP  31  -7.236  -7.437  -1.539
  232   2HB   TRP  31          1HB       TRP  31  -7.785  -9.072  -1.172
  233    HD1  TRP  31           HD1      TRP  31 -10.291  -8.964   0.304
  234    HE1  TRP  31           HE1      TRP  31 -12.395  -7.674  -0.441
  235    HE3  TRP  31           HE3      TRP  31  -8.173  -5.602  -2.904
  236    HZ2  TRP  31           HZ2      TRP  31 -13.088  -5.502  -2.169
  237    HZ3  TRP  31           HZ3      TRP  31  -9.576  -3.935  -4.084
  238    HH2  TRP  31           HH2      TRP  31 -12.029  -3.881  -3.721
  239    H    ARG  32           H        ARG  32  -8.619  -8.823   2.599
  240    HA   ARG  32           HA       ARG  32  -7.076 -11.396   2.491
  241   1HB   ARG  32          2HB       ARG  32  -7.628  -9.410   4.595
  242   2HB   ARG  32          1HB       ARG  32  -7.919 -11.076   5.096
  243   1HG   ARG  32          2HG       ARG  32  -5.427 -10.629   3.557
  244   2HG   ARG  32          1HG       ARG  32  -5.468  -9.901   5.163
  245   1HD   ARG  32          2HD       ARG  32  -6.346 -12.229   5.954
  246   2HD   ARG  32          1HD       ARG  32  -5.685 -12.816   4.414
  247    HE   ARG  32           HE       ARG  32  -4.112 -11.920   6.683
  248   1HH1  ARG  32          1HH2      ARG  32  -3.367  -9.973   4.539
  249   2HH1  ARG  32          2HH2      ARG  32  -2.077 -10.797   3.728
  250   1HH2  ARG  32          2HH1      ARG  32  -2.849 -13.894   5.083
  251   2HH2  ARG  32          1HH1      ARG  32  -1.784 -13.016   4.037
  252    H    GLU  33           H        GLU  33  -8.430 -13.042   1.923
  253    HA   GLU  33           HA       GLU  33 -11.033 -13.340   3.277
  254   1HB   GLU  33          2HB       GLU  33 -11.136 -11.814   1.139
  255   2HB   GLU  33          1HB       GLU  33 -11.000 -13.342   0.268
  256   1HG   GLU  33          2HG       GLU  33 -13.037 -14.148   1.097
  257   2HG   GLU  33          1HG       GLU  33 -13.020 -13.049   2.476
  258    H    ALA  34           H        ALA  34 -12.063 -15.479   2.544
  259    HA   ALA  34           HA       ALA  34 -10.085 -17.588   2.594
  260   1HB   ALA  34          1HB       ALA  34 -12.460 -17.546   3.531
  261   2HB   ALA  34          2HB       ALA  34 -12.029 -19.005   2.639
  262   3HB   ALA  34          3HB       ALA  34 -13.024 -17.765   1.875
  263    H    ARG  35           H        ARG  35 -11.153 -15.639   0.071
  264    HA   ARG  35           HA       ARG  35 -11.015 -17.739  -2.018
  265   1HB   ARG  35          2HB       ARG  35 -11.533 -14.748  -2.020
  266   2HB   ARG  35          1HB       ARG  35 -11.591 -15.758  -3.466
  267   1HG   ARG  35          2HG       ARG  35 -13.380 -17.108  -2.502
  268   2HG   ARG  35          1HG       ARG  35 -13.279 -16.209  -0.987
  269   1HD   ARG  35          2HD       ARG  35 -13.652 -14.130  -2.654
  270   2HD   ARG  35          1HD       ARG  35 -14.480 -15.387  -3.592
  271    HE   ARG  35           HE       ARG  35 -15.205 -14.549  -0.829
  272   1HH1  ARG  35          2HH1      ARG  35 -16.499 -15.121  -3.795
  273   2HH1  ARG  35          1HH1      ARG  35 -17.732 -16.222  -3.278
  274   1HH2  ARG  35          1HH2      ARG  35 -16.451 -16.569  -0.074
  275   2HH2  ARG  35          2HH2      ARG  35 -17.704 -17.042  -1.171
  276    H    GLY  36           H        GLY  36  -8.815 -15.892  -0.310
  277   1HA   GLY  36          2HA       GLY  36  -6.432 -16.432  -1.157
  278   2HA   GLY  36          1HA       GLY  36  -6.965 -15.647  -2.645
  279    H    THR  37           H        THR  37  -4.780 -14.749  -0.965
  280    HA   THR  37           HA       THR  37  -5.883 -12.244   0.238
  281    HB   THR  37           HB       THR  37  -3.458 -12.212   1.155
  282    HG1  THR  37           HG1      THR  37  -3.090 -14.025  -0.538
  283   1HG2  THR  37          1HG2      THR  37  -5.820 -13.522   1.985
  284   2HG2  THR  37          2HG2      THR  37  -4.465 -13.017   2.994
  285   3HG2  THR  37          3HG2      THR  37  -4.496 -14.641   2.308
  286    H    ARG  38           H        ARG  38  -4.829 -10.211  -0.314
  287    HA   ARG  38           HA       ARG  38  -3.027 -10.220  -2.681
  288   1HB   ARG  38          2HB       ARG  38  -5.808  -9.956  -2.851
  289   2HB   ARG  38          1HB       ARG  38  -5.209  -8.300  -2.951
  290   1HG   ARG  38          2HG       ARG  38  -3.572  -9.098  -4.707
  291   2HG   ARG  38          1HG       ARG  38  -4.426 -10.642  -4.703
  292   1HD   ARG  38          2HD       ARG  38  -6.239  -9.786  -5.819
  293   2HD   ARG  38          1HD       ARG  38  -6.138  -8.224  -4.981
  294    HE   ARG  38           HE       ARG  38  -3.964  -7.958  -6.444
  295   1HH1  ARG  38          1HH2      ARG  38  -6.996  -7.669  -7.462
  296   2HH1  ARG  38          2HH2      ARG  38  -6.765  -8.220  -9.088
  297   1HH2  ARG  38          2HH1      ARG  38  -3.597  -9.495  -8.491
  298   2HH2  ARG  38          1HH1      ARG  38  -4.844  -9.253  -9.670
  299    H    ILE  39           H        ILE  39  -1.834  -8.238  -2.863
  300    HA   ILE  39           HA       ILE  39  -2.320  -6.181  -0.748
  301    HB   ILE  39           HB       ILE  39  -0.629  -7.991  -0.112
  302   1HG1  ILE  39          2HG1      ILE  39   0.487  -5.180  -0.343
  303   2HG1  ILE  39          1HG1      ILE  39  -0.712  -5.662   0.858
  304   1HG2  ILE  39          1HG2      ILE  39   1.233  -6.553  -1.990
  305   2HG2  ILE  39          2HG2      ILE  39   0.285  -7.925  -2.562
  306   3HG2  ILE  39          3HG2      ILE  39   1.425  -8.134  -1.234
  307   1HD1  ILE  39          1HD1      ILE  39   0.784  -7.085   1.971
  308   2HD1  ILE  39          2HD1      ILE  39   1.814  -5.728   1.517
  309   3HD1  ILE  39          3HD1      ILE  39   1.849  -7.216   0.572
  310    H    GLU  40           H        GLU  40  -2.350  -4.200  -1.732
  311    HA   GLU  40           HA       GLU  40  -0.630  -3.791  -4.155
  312   1HB   GLU  40          2HB       GLU  40  -3.527  -3.693  -3.779
  313   2HB   GLU  40          1HB       GLU  40  -2.897  -2.187  -4.448
  314   1HG   GLU  40          2HG       GLU  40  -1.742  -4.619  -5.649
  315   2HG   GLU  40          1HG       GLU  40  -3.471  -4.418  -5.936
  316    H    ARG  41           H        ARG  41  -0.002  -1.526  -4.472
  317    HA   ARG  41           HA       ARG  41  -0.369   0.221  -2.065
  318   1HB   ARG  41          2HB       ARG  41   1.949  -1.190  -2.877
  319   2HB   ARG  41          1HB       ARG  41   2.243   0.504  -3.273
  320   1HG   ARG  41          2HG       ARG  41   1.026  -0.080  -0.615
  321   2HG   ARG  41          1HG       ARG  41   2.730  -0.480  -0.828
  322   1HD   ARG  41          2HD       ARG  41   2.782   1.972  -1.914
  323   2HD   ARG  41          1HD       ARG  41   1.407   2.198  -0.814
  324    HE   ARG  41           HE       ARG  41   2.909   2.013   0.997
  325   1HH1  ARG  41          1HH2      ARG  41   4.165   0.495  -1.835
  326   2HH1  ARG  41          2HH2      ARG  41   5.744   0.253  -1.164
  327   1HH2  ARG  41          2HH1      ARG  41   4.989   1.782   1.854
  328   2HH2  ARG  41          1HH1      ARG  41   6.210   0.980   0.922
  329    H    GLY  42           H        GLY  42   1.145   2.374  -2.960
  330   1HA   GLY  42          2HA       GLY  42   1.262   3.417  -5.398
  331   2HA   GLY  42          1HA       GLY  42  -0.493   3.297  -5.257
  332    H    CYS  43           H        CYS  43   0.383   5.800  -5.598
  333    HA   CYS  43           HA       CYS  43   0.890   7.090  -2.987
  334   1HB   CYS  43          2HB       CYS  43   2.097   7.919  -4.881
  335   2HB   CYS  43          1HB       CYS  43   0.635   7.996  -5.864
  336    H    ALA  44           H        ALA  44  -0.688   8.165  -1.813
  337    HA   ALA  44           HA       ALA  44  -3.229   8.968  -3.059
  338   1HB   ALA  44          1HB       ALA  44  -3.628   6.612  -2.712
  339   2HB   ALA  44          2HB       ALA  44  -4.508   7.477  -1.451
  340   3HB   ALA  44          3HB       ALA  44  -2.975   6.689  -1.076
  341    H    ALA  45           H        ALA  45  -4.723   9.867  -1.249
  342    HA   ALA  45           HA       ALA  45  -3.078  11.035   0.971
  343   1HB   ALA  45          1HB       ALA  45  -3.409  12.625  -0.885
  344   2HB   ALA  45          2HB       ALA  45  -4.316  13.146   0.536
  345   3HB   ALA  45          3HB       ALA  45  -5.153  12.363  -0.806
  346    H    THR  46           H        THR  46  -5.710   9.145   0.170
  347    HA   THR  46           HA       THR  46  -7.286   9.995   2.571
  348    HB   THR  46           HB       THR  46  -8.979   8.424   1.288
  349    HG1  THR  46           HG1      THR  46  -8.467   8.016  -0.739
  350   1HG2  THR  46          1HG2      THR  46  -9.943  10.346   0.506
  351   2HG2  THR  46          2HG2      THR  46  -8.458  10.900  -0.267
  352   3HG2  THR  46          3HG2      THR  46  -8.677  11.103   1.472
  353    H    CYS  47           H        CYS  47  -7.068   8.671   4.327
  354    HA   CYS  47           HA       CYS  47  -6.063   5.885   3.901
  355   1HB   CYS  47          2HB       CYS  47  -5.949   7.916   6.128
  356   2HB   CYS  47          1HB       CYS  47  -5.611   6.215   6.444
  357    HA   PRO  48           HA       PRO  48 -10.384   5.101   5.064
  358   1HB   PRO  48          2HB       PRO  48 -10.495   2.643   3.867
  359   2HB   PRO  48          1HB       PRO  48 -10.735   4.160   2.978
  360   1HG   PRO  48          2HG       PRO  48  -8.336   2.412   3.124
  361   2HG   PRO  48          1HG       PRO  48  -8.983   3.333   1.758
  362   1HD   PRO  48          2HD       PRO  48  -6.839   4.130   3.269
  363   2HD   PRO  48          1HD       PRO  48  -7.888   5.241   2.361
  364    H    LYS  49           H        LYS  49 -11.063   2.453   5.697
  365    HA   LYS  49           HA       LYS  49  -9.116   1.776   7.879
  366   1HB   LYS  49          2HB       LYS  49 -11.537   2.881   8.232
  367   2HB   LYS  49          1HB       LYS  49 -12.036   1.193   8.115
  368   1HG   LYS  49          2HG       LYS  49 -10.479   0.579   9.907
  369   2HG   LYS  49          1HG       LYS  49  -9.909   2.245  10.003
  370   1HD   LYS  49          2HD       LYS  49 -12.698   2.437  10.201
  371   2HD   LYS  49          1HD       LYS  49 -12.271   1.046  11.198
  372   1HE   LYS  49          2HE       LYS  49 -10.892   2.327  12.617
  373   2HE   LYS  49          1HE       LYS  49 -10.713   3.625  11.421
  374   1HZ   LYS  49          1HZ       LYS  49 -13.338   2.851  12.557
  375   2HZ   LYS  49          2HZ       LYS  49 -12.952   4.254  11.678
  376   3HZ   LYS  49          3HZ       LYS  49 -12.369   4.052  13.261
  377    H    GLY  50           H        GLY  50 -11.987   0.325   6.290
  378   1HA   GLY  50          2HA       GLY  50 -11.282  -1.675   4.770
  379   2HA   GLY  50          1HA       GLY  50 -10.523  -2.272   6.248
  380    H    SER  51           H        SER  51 -11.906  -4.113   6.367
  381    HA   SER  51           HA       SER  51 -14.662  -3.468   7.331
  382   1HB   SER  51          2HB       SER  51 -14.110  -4.390   4.806
  383   2HB   SER  51          1HB       SER  51 -14.358  -5.900   5.677
  384    HG   SER  51           HG       SER  51 -16.115  -3.729   5.296
  385    H    VAL  52           H        VAL  52 -13.297  -3.918   9.380
  386    HA   VAL  52           HA       VAL  52 -12.884  -5.364  11.201
  387    HB   VAL  52           HB       VAL  52 -14.373  -7.375   9.488
  388   1HG1  VAL  52          1HG1      VAL  52 -14.469  -7.027  12.483
  389   2HG1  VAL  52          2HG1      VAL  52 -13.215  -8.002  11.717
  390   3HG1  VAL  52          3HG1      VAL  52 -14.912  -8.441  11.528
  391   1HG2  VAL  52          1HG2      VAL  52 -16.330  -6.375  10.974
  392   2HG2  VAL  52          2HG2      VAL  52 -15.882  -5.606   9.451
  393   3HG2  VAL  52          3HG2      VAL  52 -15.300  -4.944  10.979
  394    H    TYR  53           H        TYR  53 -12.829  -7.635   8.433
  395    HA   TYR  53           HA       TYR  53  -9.884  -7.914   8.718
  396   1HB   TYR  53          2HB       TYR  53 -11.416  -9.473  10.233
  397   2HB   TYR  53          1HB       TYR  53 -11.575 -10.389   8.734
  398    HD1  TYR  53           HD1      TYR  53  -9.721 -11.611   7.801
  399    HD2  TYR  53           HD2      TYR  53  -9.178  -9.115  11.253
  400    HE1  TYR  53           HE1      TYR  53  -7.481 -12.609   8.169
  401    HE2  TYR  53           HE2      TYR  53  -6.937 -10.112  11.623
  402    HH   TYR  53           HH       TYR  53  -5.671 -12.639   9.442
  403    H    GLY  54           H        GLY  54 -10.942  -6.754   6.517
  404   1HA   GLY  54          2HA       GLY  54 -10.702  -8.896   4.462
  405   2HA   GLY  54          1HA       GLY  54 -12.053  -7.766   4.362
  406    H    LEU  55           H        LEU  55 -10.705  -5.401   5.160
  407    HA   LEU  55           HA       LEU  55  -8.846  -5.035   2.832
  408   1HB   LEU  55          2HB       LEU  55 -11.114  -3.522   4.012
  409   2HB   LEU  55          1HB       LEU  55  -9.758  -2.550   3.439
  410    HG   LEU  55           HG       LEU  55  -9.916  -4.064   1.306
  411   1HD1  LEU  55          1HD1      LEU  55 -12.031  -5.041   0.863
  412   2HD1  LEU  55          2HD1      LEU  55 -12.794  -4.200   2.213
  413   3HD1  LEU  55          3HD1      LEU  55 -11.667  -5.520   2.521
  414   1HD2  LEU  55          1HD2      LEU  55 -11.860  -1.868   2.059
  415   2HD2  LEU  55          2HD2      LEU  55 -11.731  -2.505   0.419
  416   3HD2  LEU  55          3HD2      LEU  55 -10.347  -1.709   1.168
  417    H    TYR  56           H        TYR  56  -6.833  -5.273   3.864
  418    HA   TYR  56           HA       TYR  56  -6.306  -3.915   6.433
  419   1HB   TYR  56          2HB       TYR  56  -5.453  -6.219   5.269
  420   2HB   TYR  56          1HB       TYR  56  -4.135  -5.138   4.815
  421    HD1  TYR  56           HD1      TYR  56  -6.277  -5.819   7.829
  422    HD2  TYR  56           HD2      TYR  56  -2.350  -5.009   6.291
  423    HE1  TYR  56           HE1      TYR  56  -5.345  -5.984  10.122
  424    HE2  TYR  56           HE2      TYR  56  -1.418  -5.174   8.583
  425    HH   TYR  56           HH       TYR  56  -3.495  -6.003  11.356
  426    H    VAL  57           H        VAL  57  -6.456  -1.666   5.831
  427    HA   VAL  57           HA       VAL  57  -4.742  -0.654   3.645
  428    HB   VAL  57           HB       VAL  57  -7.082   0.131   4.146
  429   1HG1  VAL  57          1HG1      VAL  57  -6.956   0.020   6.595
  430   2HG1  VAL  57          2HG1      VAL  57  -7.357   1.660   6.086
  431   3HG1  VAL  57          3HG1      VAL  57  -5.716   1.274   6.604
  432   1HG2  VAL  57          1HG2      VAL  57  -6.417   2.003   3.085
  433   2HG2  VAL  57          2HG2      VAL  57  -4.750   1.657   3.546
  434   3HG2  VAL  57          3HG2      VAL  57  -5.769   2.643   4.595
  435    H    LEU  58           H        LEU  58  -2.863   0.569   3.983
  436    HA   LEU  58           HA       LEU  58  -2.063   1.251   6.763
  437   1HB   LEU  58          2HB       LEU  58  -1.271  -1.095   5.418
  438   2HB   LEU  58          1HB       LEU  58   0.119  -0.012   5.329
  439    HG   LEU  58           HG       LEU  58   0.216  -1.358   7.384
  440   1HD1  LEU  58          1HD1      LEU  58   0.550   1.360   7.187
  441   2HD1  LEU  58          2HD1      LEU  58   0.992   0.401   8.599
  442   3HD1  LEU  58          3HD1      LEU  58  -0.561   1.236   8.551
  443   1HD2  LEU  58          1HD2      LEU  58  -2.319  -1.598   7.512
  444   2HD2  LEU  58          2HD2      LEU  58  -2.352   0.025   8.199
  445   3HD2  LEU  58          3HD2      LEU  58  -1.513  -1.273   9.047
  446    H    CYS  59           H        CYS  59  -1.694   3.432   6.448
  447    HA   CYS  59           HA       CYS  59  -0.564   4.440   3.922
  448   1HB   CYS  59          2HB       CYS  59  -1.154   5.877   6.527
  449   2HB   CYS  59          1HB       CYS  59  -1.057   6.587   4.914
  450    H    CYS  60           H        CYS  60   1.486   5.530   3.787
  451    HA   CYS  60           HA       CYS  60   3.303   5.348   6.137
  452   1HB   CYS  60          2HB       CYS  60   3.207   3.502   3.952
  453   2HB   CYS  60          1HB       CYS  60   4.686   4.424   3.816
  454    H    THR  61           H        THR  61   5.164   6.751   5.912
  455    HA   THR  61           HA       THR  61   5.315   8.455   3.506
  456    HB   THR  61           HB       THR  61   3.717   9.551   4.993
  457    HG1  THR  61           HG1      THR  61   4.753  11.235   4.314
  458   1HG2  THR  61          1HG2      THR  61   3.887   9.372   7.226
  459   2HG2  THR  61          2HG2      THR  61   5.460  10.170   7.201
  460   3HG2  THR  61          3HG2      THR  61   5.355   8.421   7.003
  461    H    THR  62           H        THR  62   7.357   9.704   3.455
  462    HA   THR  62           HA       THR  62   9.673   9.977   3.813
  463    HB   THR  62           HB       THR  62   9.175   8.821   6.551
  464    HG1  THR  62           HG1      THR  62   7.619  10.223   6.678
  465   1HG2  THR  62          1HG2      THR  62  11.293   9.581   6.745
  466   2HG2  THR  62          2HG2      THR  62  10.600  11.202   6.703
  467   3HG2  THR  62          3HG2      THR  62  11.194  10.458   5.218
  468    H    ASP  63           H        ASP  63  11.568   8.744   3.629
  469    HA   ASP  63           HA       ASP  63  12.717   6.778   2.929
  470   1HB   ASP  63          2HB       ASP  63  12.755   7.117   5.495
  471   2HB   ASP  63          1HB       ASP  63  11.620   5.768   5.552
  472    H    ASP  64           H        ASP  64  11.580   5.837   1.174
  473    HA   ASP  64           HA       ASP  64  10.279   4.162   0.101
  474   1HB   ASP  64          2HB       ASP  64  11.321   3.155   2.594
  475   2HB   ASP  64          1HB       ASP  64   9.738   2.438   2.291
  476    H    CYS  65           H        CYS  65   8.841   3.988   3.400
  477    HA   CYS  65           HA       CYS  65   6.193   3.732   2.817
  478   1HB   CYS  65          2HB       CYS  65   7.816   5.153   4.883
  479   2HB   CYS  65          1HB       CYS  65   6.077   5.424   4.896
  480    H    ASN  66           HN       ASN  66   8.158   6.592   2.261
  481    HA   ASN  66           HA       ASN  66   6.507   8.756   2.121
  482   1HB   ASN  66          2HB       ASN  66   8.897   7.893   0.955
  483   2HB   ASN  66          1HB       ASN  66   7.900   8.389  -0.412
  484   1HD2  ASN  66          1HD2      ASN  66   9.097  10.366  -0.799
  485   2HD2  ASN  66          2HD2      ASN  66   9.046  11.673   0.283
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1  13.880  11.182  -1.916
    2   2H    MET   1          2H        MET   1  14.426  10.226  -0.623
    3   3H    MET   1          3H        MET   1  14.249  11.904  -0.427
    4    HA   MET   1           HA       MET   1  12.418  10.238   0.446
    5   1HB   MET   1          2HB       MET   1  12.422  12.978  -0.754
    6   2HB   MET   1          1HB       MET   1  10.866  12.295  -0.277
    7   1HG   MET   1          2HG       MET   1  12.405  11.672   1.897
    8   2HG   MET   1          1HG       MET   1  13.113  13.211   1.405
    9   1HE   MET   1          1HE       MET   1  10.855  11.245   2.974
   10   2HE   MET   1          2HE       MET   1   9.213  11.872   2.853
   11   3HE   MET   1          3HE       MET   1  10.264  12.421   4.154
   12    H    LYS   2           H        LYS   2  11.912   8.395  -0.847
   13    HA   LYS   2           HA       LYS   2  10.110   8.969  -3.171
   14   1HB   LYS   2          2HB       LYS   2  12.490   7.115  -2.943
   15   2HB   LYS   2          1HB       LYS   2  11.256   6.886  -4.181
   16   1HG   LYS   2          2HG       LYS   2  11.814   8.841  -5.297
   17   2HG   LYS   2          1HG       LYS   2  12.451   9.611  -3.844
   18   1HD   LYS   2          2HD       LYS   2  13.869   7.165  -4.755
   19   2HD   LYS   2          1HD       LYS   2  14.043   8.591  -5.778
   20   1HE   LYS   2          2HE       LYS   2  15.165   9.798  -4.140
   21   2HE   LYS   2          1HE       LYS   2  14.377   8.923  -2.813
   22   1HZ   LYS   2          1HZ       LYS   2  16.770   8.295  -3.308
   23   2HZ   LYS   2          2HZ       LYS   2  16.184   7.573  -4.731
   24   3HZ   LYS   2          3HZ       LYS   2  15.657   7.019  -3.214
   25    H    CYS   3           H        CYS   3   9.112   6.615  -3.784
   26    HA   CYS   3           HA       CYS   3   8.390   5.231  -1.225
   27   1HB   CYS   3          2HB       CYS   3   6.734   6.972  -2.159
   28   2HB   CYS   3          1HB       CYS   3   6.455   5.829  -3.471
   29    H    LYS   4           H        LYS   4   9.091   3.154  -1.483
   30    HA   LYS   4           HA       LYS   4   9.454   1.947  -4.127
   31   1HB   LYS   4          2HB       LYS   4  11.023   1.465  -2.368
   32   2HB   LYS   4          1HB       LYS   4   9.728   1.014  -1.257
   33   1HG   LYS   4          2HG       LYS   4   9.366  -0.614  -3.523
   34   2HG   LYS   4          1HG       LYS   4  11.101  -0.626  -3.208
   35   1HD   LYS   4          2HD       LYS   4  10.134  -0.880  -0.675
   36   2HD   LYS   4          1HD       LYS   4   8.883  -1.726  -1.587
   37   1HE   LYS   4          2HE       LYS   4  11.845  -2.288  -1.947
   38   2HE   LYS   4          1HE       LYS   4  10.800  -3.215  -0.852
   39   1HZ   LYS   4          1HZ       LYS   4  10.796  -4.271  -2.996
   40   2HZ   LYS   4          2HZ       LYS   4  10.400  -2.811  -3.770
   41   3HZ   LYS   4          3HZ       LYS   4   9.275  -3.563  -2.742
   42    H    ILE   5           H        ILE   5   7.906   0.775  -5.196
   43    HA   ILE   5           HA       ILE   5   5.482  -0.085  -3.655
   44    HB   ILE   5           HB       ILE   5   5.958   0.650  -6.559
   45   1HG1  ILE   5          2HG1      ILE   5   3.899   2.016  -4.944
   46   2HG1  ILE   5          1HG1      ILE   5   5.549   2.271  -4.378
   47   1HG2  ILE   5          1HG2      ILE   5   3.484   0.369  -6.783
   48   2HG2  ILE   5          2HG2      ILE   5   3.448  -0.324  -5.162
   49   3HG2  ILE   5          3HG2      ILE   5   4.317  -1.150  -6.456
   50   1HD1  ILE   5          1HD1      ILE   5   5.905   2.581  -7.054
   51   2HD1  ILE   5          2HD1      ILE   5   5.555   3.918  -5.959
   52   3HD1  ILE   5          3HD1      ILE   5   4.252   3.173  -6.883
   53    H    CYS   6           H        CYS   6   5.138  -2.267  -3.504
   54    HA   CYS   6           HA       CYS   6   5.943  -4.111  -5.636
   55   1HB   CYS   6          2HB       CYS   6   7.964  -3.434  -4.078
   56   2HB   CYS   6          1HB       CYS   6   7.215  -4.563  -2.949
   57    H    ASN   7           H        ASN   7   4.047  -5.283  -5.657
   58    HA   ASN   7           HA       ASN   7   2.123  -5.624  -3.699
   59   1HB   ASN   7          2HB       ASN   7   3.041  -6.974  -6.111
   60   2HB   ASN   7          1HB       ASN   7   2.326  -8.114  -4.971
   61   1HD2  ASN   7          1HD2      ASN   7   1.599  -4.767  -6.142
   62   2HD2  ASN   7          2HD2      ASN   7  -0.067  -5.040  -6.317
   63    H    PHE   8           H        PHE   8   1.747  -7.215  -2.045
   64    HA   PHE   8           HA       PHE   8   4.225  -8.232  -0.778
   65   1HB   PHE   8          2HB       PHE   8   1.599  -7.298  -0.006
   66   2HB   PHE   8          1HB       PHE   8   1.907  -8.882   0.709
   67    HD1  PHE   8           HD1      PHE   8   3.437  -9.144   2.506
   68    HD2  PHE   8           HD2      PHE   8   3.318  -5.455   0.307
   69    HE1  PHE   8           HE1      PHE   8   4.940  -8.098   4.178
   70    HE2  PHE   8           HE2      PHE   8   4.822  -4.410   1.980
   71    HZ   PHE   8           HZ       PHE   8   5.632  -5.731   3.916
   72    H    ASP   9           H        ASP   9   4.438 -10.481  -0.173
   73    HA   ASP   9           HA       ASP   9   4.152 -12.816  -0.446
   74   1HB   ASP   9          2HB       ASP   9   1.667 -11.709  -0.121
   75   2HB   ASP   9          1HB       ASP   9   1.486 -12.505  -1.685
   76    H    THR  10           H        THR  10   4.512 -10.651  -2.843
   77    HA   THR  10           HA       THR  10   5.278 -12.590  -4.830
   78    HB   THR  10           HB       THR  10   2.758 -12.756  -4.822
   79    HG1  THR  10           HG1      THR  10   2.647 -12.338  -7.169
   80   1HG2  THR  10          1HG2      THR  10   2.201 -10.425  -6.362
   81   2HG2  THR  10          2HG2      THR  10   3.029  -9.909  -4.892
   82   3HG2  THR  10          3HG2      THR  10   1.551 -10.864  -4.782
   83    H    CYS  11           H        CYS  11   6.578 -10.345  -3.786
   84    HA   CYS  11           HA       CYS  11   6.373  -7.851  -4.966
   85   1HB   CYS  11          2HB       CYS  11   8.345  -9.474  -3.695
   86   2HB   CYS  11          1HB       CYS  11   9.110  -8.713  -5.088
   87    H    ARG  12           H        ARG  12   5.597  -7.846  -7.129
   88    HA   ARG  12           HA       ARG  12   7.373  -9.135  -9.171
   89   1HB   ARG  12          2HB       ARG  12   4.433  -8.399  -9.124
   90   2HB   ARG  12          1HB       ARG  12   5.262  -8.976 -10.571
   91   1HG   ARG  12          2HG       ARG  12   5.947 -10.757  -8.470
   92   2HG   ARG  12          1HG       ARG  12   4.202 -10.515  -8.387
   93   1HD   ARG  12          2HD       ARG  12   3.880 -11.758 -10.256
   94   2HD   ARG  12          1HD       ARG  12   5.096 -10.823 -11.148
   95    HE   ARG  12           HE       ARG  12   6.504 -12.427  -9.299
   96   1HH1  ARG  12          2HH1      ARG  12   3.957 -13.354 -11.322
   97   2HH1  ARG  12          1HH1      ARG  12   4.841 -14.599 -12.139
   98   1HH2  ARG  12          1HH2      ARG  12   7.867 -13.791 -10.651
   99   2HH2  ARG  12          2HH2      ARG  12   7.057 -14.845 -11.760
  100    H    ALA  13           H        ALA  13   6.157  -6.146  -7.958
  101    HA   ALA  13           HA       ALA  13   6.894  -4.683 -10.449
  102   1HB   ALA  13          1HB       ALA  13   4.826  -4.495  -8.592
  103   2HB   ALA  13          2HB       ALA  13   5.236  -3.278  -9.801
  104   3HB   ALA  13          3HB       ALA  13   5.886  -3.151  -8.167
  105    H    GLY  14           H        GLY  14   7.271  -3.969  -6.957
  106   1HA   GLY  14          2HA       GLY  14   9.088  -3.061  -5.782
  107   2HA   GLY  14          1HA       GLY  14  10.112  -3.947  -6.914
  108    H    GLU  15           H        GLU  15   7.786  -1.373  -7.673
  109    HA   GLU  15           HA       GLU  15  10.003   0.125  -8.991
  110   1HB   GLU  15          2HB       GLU  15   7.186  -0.425  -9.456
  111   2HB   GLU  15          1HB       GLU  15   7.506   1.308  -9.519
  112   1HG   GLU  15          2HG       GLU  15   9.398   0.854 -11.092
  113   2HG   GLU  15          1HG       GLU  15   8.934  -0.847 -11.101
  114    H    LEU  16           H        LEU  16  10.864   1.793  -7.820
  115    HA   LEU  16           HA       LEU  16   9.246   3.023  -5.641
  116   1HB   LEU  16          2HB       LEU  16  11.390   2.260  -4.946
  117   2HB   LEU  16          1HB       LEU  16  12.172   2.906  -6.389
  118    HG   LEU  16           HG       LEU  16  10.768   4.995  -4.936
  119   1HD1  LEU  16          1HD1      LEU  16  11.797   4.935  -2.853
  120   2HD1  LEU  16          2HD1      LEU  16  13.132   3.937  -3.427
  121   3HD1  LEU  16          3HD1      LEU  16  11.551   3.212  -3.135
  122   1HD2  LEU  16          1HD2      LEU  16  12.524   6.178  -5.746
  123   2HD2  LEU  16          2HD2      LEU  16  12.975   4.701  -6.598
  124   3HD2  LEU  16          3HD2      LEU  16  13.697   5.072  -5.032
  125    H    LYS  17           H        LYS  17   8.741   5.231  -5.670
  126    HA   LYS  17           HA       LYS  17   9.801   6.928  -7.867
  127   1HB   LYS  17          2HB       LYS  17   7.562   5.529  -8.307
  128   2HB   LYS  17          1HB       LYS  17   6.843   6.873  -7.419
  129   1HG   LYS  17          2HG       LYS  17   7.106   8.287  -9.161
  130   2HG   LYS  17          1HG       LYS  17   8.777   7.782  -9.411
  131   1HD   LYS  17          2HD       LYS  17   7.427   5.566 -10.271
  132   2HD   LYS  17          1HD       LYS  17   6.309   6.848 -10.740
  133   1HE   LYS  17          2HE       LYS  17   7.923   7.912 -12.119
  134   2HE   LYS  17          1HE       LYS  17   9.265   7.016 -11.377
  135   1HZ   LYS  17          1HZ       LYS  17   7.175   6.030 -13.211
  136   2HZ   LYS  17          2HZ       LYS  17   7.943   4.960 -12.138
  137   3HZ   LYS  17          3HZ       LYS  17   8.854   5.808 -13.294
  138    H    VAL  18           H        VAL  18   7.383   8.720  -7.187
  139    HA   VAL  18           HA       VAL  18   8.348   9.679  -4.517
  140    HB   VAL  18           HB       VAL  18   7.877  11.975  -5.588
  141   1HG1  VAL  18          1HG1      VAL  18  10.093  12.107  -6.393
  142   2HG1  VAL  18          2HG1      VAL  18  10.072  10.443  -6.978
  143   3HG1  VAL  18          3HG1      VAL  18  10.147  10.769  -5.246
  144   1HG2  VAL  18          1HG2      VAL  18   8.388  10.750  -8.234
  145   2HG2  VAL  18          2HG2      VAL  18   7.365  12.122  -7.809
  146   3HG2  VAL  18          3HG2      VAL  18   6.772  10.477  -7.584
  147    H    CYS  19           H        CYS  19   6.686  11.097  -3.431
  148    HA   CYS  19           HA       CYS  19   3.995  11.378  -4.273
  149   1HB   CYS  19          2HB       CYS  19   4.816   8.697  -3.583
  150   2HB   CYS  19          1HB       CYS  19   3.581   9.246  -2.449
  151    H    ALA  20           H        ALA  20   5.505  10.086  -1.281
  152    HA   ALA  20           HA       ALA  20   3.985  11.792   0.475
  153   1HB   ALA  20          1HB       ALA  20   4.808   9.913   1.536
  154   2HB   ALA  20          2HB       ALA  20   6.107  11.033   1.952
  155   3HB   ALA  20          3HB       ALA  20   6.302   9.917   0.599
  156    H    SER  21           H        SER  21   4.435  13.884  -0.743
  157    HA   SER  21           HA       SER  21   7.160  15.000  -0.318
  158   1HB   SER  21          2HB       SER  21   6.551  16.501  -2.006
  159   2HB   SER  21          1HB       SER  21   5.598  15.087  -2.445
  160    HG   SER  21           HG       SER  21   3.898  16.062  -1.133
  161    H    GLY  22           H        GLY  22   3.852  15.297   0.837
  162   1HA   GLY  22          2HA       GLY  22   4.215  16.308   3.317
  163   2HA   GLY  22          1HA       GLY  22   4.452  17.759   2.343
  164    H    GLU  23           H        GLU  23   2.475  16.591   0.327
  165    HA   GLU  23           HA       GLU  23   0.045  17.638   1.685
  166   1HB   GLU  23          2HB       GLU  23   0.683  16.951  -1.204
  167   2HB   GLU  23          1HB       GLU  23  -0.777  17.771  -0.650
  168   1HG   GLU  23          2HG       GLU  23   0.289  19.752  -0.629
  169   2HG   GLU  23          1HG       GLU  23   1.544  19.102   0.427
  170    H    LYS  24           H        LYS  24   0.944  14.869  -0.414
  171    HA   LYS  24           HA       LYS  24  -1.300  13.324   0.848
  172   1HB   LYS  24          2HB       LYS  24  -1.083  12.035  -1.391
  173   2HB   LYS  24          1HB       LYS  24  -1.784  13.652  -1.452
  174   1HG   LYS  24          2HG       LYS  24   0.343  14.604  -2.151
  175   2HG   LYS  24          1HG       LYS  24   1.144  13.045  -1.952
  176   1HD   LYS  24          2HD       LYS  24   0.038  12.100  -3.805
  177   2HD   LYS  24          1HD       LYS  24  -1.221  13.335  -3.796
  178   1HE   LYS  24          2HE       LYS  24   0.348  13.754  -5.652
  179   2HE   LYS  24          1HE       LYS  24   0.510  15.039  -4.438
  180   1HZ   LYS  24          1HZ       LYS  24   2.600  13.703  -5.284
  181   2HZ   LYS  24          2HZ       LYS  24   2.099  12.605  -4.088
  182   3HZ   LYS  24          3HZ       LYS  24   2.472  14.209  -3.670
  183    H    TYR  25           H        TYR  25  -0.785  10.828   0.545
  184    HA   TYR  25           HA       TYR  25   2.114  10.306   1.069
  185   1HB   TYR  25          2HB       TYR  25   0.921   8.619   2.832
  186   2HB   TYR  25          1HB       TYR  25   1.457  10.237   3.269
  187    HD1  TYR  25           HD1      TYR  25  -1.518   8.527   1.728
  188    HD2  TYR  25           HD2      TYR  25  -0.074  11.642   4.311
  189    HE1  TYR  25           HE1      TYR  25  -3.854   9.140   2.298
  190    HE2  TYR  25           HE2      TYR  25  -2.408  12.254   4.880
  191    HH   TYR  25           HH       TYR  25  -4.588  11.407   4.845
  192    H    CYS  26           H        CYS  26   2.542   7.863   0.999
  193    HA   CYS  26           HA       CYS  26   1.443   6.755  -1.439
  194   1HB   CYS  26          2HB       CYS  26   3.532   6.240   0.504
  195   2HB   CYS  26          1HB       CYS  26   2.718   4.739   0.069
  196    H    PHE  27           H        PHE  27   0.076   4.872  -1.627
  197    HA   PHE  27           HA       PHE  27  -1.503   4.245   0.848
  198   1HB   PHE  27          2HB       PHE  27  -2.965   5.516  -0.437
  199   2HB   PHE  27          1HB       PHE  27  -2.239   5.000  -1.956
  200    HD1  PHE  27           HD1      PHE  27  -3.382   2.821   0.847
  201    HD2  PHE  27           HD2      PHE  27  -4.124   4.199  -3.153
  202    HE1  PHE  27           HE1      PHE  27  -5.151   1.102   0.581
  203    HE2  PHE  27           HE2      PHE  27  -5.891   2.481  -3.419
  204    HZ   PHE  27           HZ       PHE  27  -6.405   0.933  -1.553
  205    H    LYS  28           H        LYS  28  -1.164   2.136   1.396
  206    HA   LYS  28           HA       LYS  28  -0.694   0.144  -0.797
  207   1HB   LYS  28          2HB       LYS  28   0.711  -1.011   0.768
  208   2HB   LYS  28          1HB       LYS  28   1.128   0.696   0.921
  209   1HG   LYS  28          2HG       LYS  28  -0.876   0.554   2.735
  210   2HG   LYS  28          1HG       LYS  28  -0.254  -1.093   2.846
  211   1HD   LYS  28          2HD       LYS  28   1.779   1.075   2.794
  212   2HD   LYS  28          1HD       LYS  28   0.797   0.962   4.254
  213   1HE   LYS  28          2HE       LYS  28   1.551  -1.216   4.747
  214   2HE   LYS  28          1HE       LYS  28   2.086  -1.505   3.079
  215   1HZ   LYS  28          1HZ       LYS  28   4.036  -0.971   4.239
  216   2HZ   LYS  28          2HZ       LYS  28   3.292   0.287   5.106
  217   3HZ   LYS  28          3HZ       LYS  28   3.615   0.468   3.448
  218    H    GLU  29           H        GLU  29  -2.054  -1.669  -0.829
  219    HA   GLU  29           HA       GLU  29  -4.088  -1.856   1.373
  220   1HB   GLU  29          2HB       GLU  29  -4.622  -0.941  -1.065
  221   2HB   GLU  29          1HB       GLU  29  -4.678  -2.662  -1.451
  222   1HG   GLU  29          2HG       GLU  29  -6.145  -1.685   0.972
  223   2HG   GLU  29          1HG       GLU  29  -6.856  -1.407  -0.618
  224    H    SER  30           H        SER  30  -4.901  -4.023   1.761
  225    HA   SER  30           HA       SER  30  -3.468  -6.287   0.482
  226   1HB   SER  30          2HB       SER  30  -1.966  -6.164   2.206
  227   2HB   SER  30          1HB       SER  30  -3.040  -5.174   3.189
  228    HG   SER  30           HG       SER  30  -2.632  -7.382   3.945
  229    H    TRP  31           H        TRP  31  -5.562  -6.955  -0.277
  230    HA   TRP  31           HA       TRP  31  -7.812  -7.274   1.562
  231   1HB   TRP  31          2HB       TRP  31  -7.527  -6.898  -1.097
  232   2HB   TRP  31          1HB       TRP  31  -7.696  -8.653  -1.074
  233    HD1  TRP  31           HD1      TRP  31  -9.881  -9.523   0.509
  234    HE1  TRP  31           HE1      TRP  31 -12.269  -8.552   0.519
  235    HE3  TRP  31           HE3      TRP  31  -8.965  -4.914  -1.490
  236    HZ2  TRP  31           HZ2      TRP  31 -13.613  -6.137  -0.225
  237    HZ3  TRP  31           HZ3      TRP  31 -10.815  -3.301  -1.828
  238    HH2  TRP  31           HH2      TRP  31 -13.136  -3.905  -1.200
  239    H    ARG  32           H        ARG  32  -7.831  -8.939   3.021
  240    HA   ARG  32           HA       ARG  32  -6.337 -11.441   2.430
  241   1HB   ARG  32          2HB       ARG  32  -6.679  -9.844   4.658
  242   2HB   ARG  32          1HB       ARG  32  -7.810 -11.162   4.965
  243   1HG   ARG  32          2HG       ARG  32  -5.847 -12.043   5.857
  244   2HG   ARG  32          1HG       ARG  32  -5.786 -12.676   4.211
  245   1HD   ARG  32          2HD       ARG  32  -3.850 -11.568   3.834
  246   2HD   ARG  32          1HD       ARG  32  -4.620 -10.029   4.272
  247    HE   ARG  32           HE       ARG  32  -4.251 -10.878   6.716
  248   1HH1  ARG  32          1HH2      ARG  32  -2.083 -10.702   4.108
  249   2HH1  ARG  32          2HH2      ARG  32  -0.724 -11.312   4.992
  250   1HH2  ARG  32          2HH1      ARG  32  -2.567 -12.050   7.835
  251   2HH2  ARG  32          1HH1      ARG  32  -0.997 -12.074   7.103
  252    H    GLU  33           H        GLU  33  -7.604 -12.793   1.152
  253    HA   GLU  33           HA       GLU  33 -10.448 -13.223   2.014
  254   1HB   GLU  33          2HB       GLU  33  -9.797 -12.171  -0.276
  255   2HB   GLU  33          1HB       GLU  33  -9.299 -13.805  -0.715
  256   1HG   GLU  33          2HG       GLU  33 -11.454 -14.619  -0.702
  257   2HG   GLU  33          1HG       GLU  33 -11.985 -13.485   0.541
  258    H    ALA  34           H        ALA  34 -11.229 -15.468   1.732
  259    HA   ALA  34           HA       ALA  34  -9.435 -17.448   2.774
  260   1HB   ALA  34          1HB       ALA  34 -11.346 -18.906   2.489
  261   2HB   ALA  34          2HB       ALA  34 -12.031 -17.845   1.257
  262   3HB   ALA  34          3HB       ALA  34 -11.961 -17.314   2.937
  263    H    ARG  35           H        ARG  35 -10.440 -16.607  -0.512
  264    HA   ARG  35           HA       ARG  35  -9.325 -18.949  -1.802
  265   1HB   ARG  35          2HB       ARG  35 -10.482 -16.303  -2.501
  266   2HB   ARG  35          1HB       ARG  35  -9.420 -17.017  -3.715
  267   1HG   ARG  35          2HG       ARG  35 -10.828 -18.802  -4.102
  268   2HG   ARG  35          1HG       ARG  35 -11.459 -18.794  -2.454
  269   1HD   ARG  35          2HD       ARG  35 -13.160 -18.023  -4.125
  270   2HD   ARG  35          1HD       ARG  35 -12.760 -16.751  -2.952
  271    HE   ARG  35           HE       ARG  35 -10.904 -16.372  -4.967
  272   1HH1  ARG  35          2HH1      ARG  35 -13.148 -14.435  -4.402
  273   2HH1  ARG  35          1HH1      ARG  35 -13.956 -14.376  -5.932
  274   1HH2  ARG  35          1HH2      ARG  35 -12.452 -17.258  -7.136
  275   2HH2  ARG  35          2HH2      ARG  35 -13.560 -15.973  -7.481
  276    H    GLY  36           H        GLY  36  -8.082 -15.739  -0.960
  277   1HA   GLY  36          2HA       GLY  36  -5.371 -16.500  -0.866
  278   2HA   GLY  36          1HA       GLY  36  -5.663 -15.896  -2.498
  279    H    THR  37           H        THR  37  -3.994 -14.268  -1.548
  280    HA   THR  37           HA       THR  37  -5.490 -12.046  -0.193
  281    HB   THR  37           HB       THR  37  -3.447 -11.544   0.964
  282    HG1  THR  37           HG1      THR  37  -1.539 -12.738   0.424
  283   1HG2  THR  37          1HG2      THR  37  -3.808 -13.262   2.363
  284   2HG2  THR  37          2HG2      THR  37  -2.904 -14.334   1.292
  285   3HG2  THR  37          3HG2      THR  37  -4.642 -14.128   1.072
  286    H    ARG  38           H        ARG  38  -5.217  -9.967  -1.089
  287    HA   ARG  38           HA       ARG  38  -3.492  -9.769  -3.535
  288   1HB   ARG  38          2HB       ARG  38  -6.345  -8.823  -3.107
  289   2HB   ARG  38          1HB       ARG  38  -5.385  -8.491  -4.549
  290   1HG   ARG  38          2HG       ARG  38  -5.071 -11.162  -4.443
  291   2HG   ARG  38          1HG       ARG  38  -6.647 -11.035  -3.660
  292   1HD   ARG  38          2HD       ARG  38  -6.695  -9.287  -5.914
  293   2HD   ARG  38          1HD       ARG  38  -6.060 -10.851  -6.460
  294    HE   ARG  38           HE       ARG  38  -8.092 -11.911  -5.694
  295   1HH1  ARG  38          1HH2      ARG  38  -8.450  -9.978  -3.332
  296   2HH1  ARG  38          2HH2      ARG  38  -9.913  -9.174  -3.794
  297   1HH2  ARG  38          2HH1      ARG  38  -9.771 -10.243  -7.090
  298   2HH2  ARG  38          1HH1      ARG  38 -10.661  -9.324  -5.922
  299    H    ILE  39           H        ILE  39  -1.979  -8.216  -3.040
  300    HA   ILE  39           HA       ILE  39  -2.757  -5.969  -1.235
  301    HB   ILE  39           HB       ILE  39  -0.140  -7.160  -2.187
  302   1HG1  ILE  39          2HG1      ILE  39  -0.283  -6.960   0.616
  303   2HG1  ILE  39          1HG1      ILE  39  -1.886  -7.496   0.109
  304   1HG2  ILE  39          1HG2      ILE  39   0.892  -5.214  -1.733
  305   2HG2  ILE  39          2HG2      ILE  39   0.243  -5.257  -0.094
  306   3HG2  ILE  39          3HG2      ILE  39  -0.665  -4.464  -1.381
  307   1HD1  ILE  39          1HD1      ILE  39   0.022  -9.269   0.521
  308   2HD1  ILE  39          2HD1      ILE  39   0.535  -8.794  -1.098
  309   3HD1  ILE  39          3HD1      ILE  39  -1.078  -9.461  -0.844
  310    H    GLU  40           H        GLU  40  -2.697  -3.836  -1.970
  311    HA   GLU  40           HA       GLU  40  -1.995  -3.432  -4.863
  312   1HB   GLU  40          2HB       GLU  40  -4.381  -2.960  -3.301
  313   2HB   GLU  40          1HB       GLU  40  -3.783  -1.433  -3.950
  314   1HG   GLU  40          2HG       GLU  40  -3.673  -3.627  -5.893
  315   2HG   GLU  40          1HG       GLU  40  -5.312  -3.264  -5.347
  316    H    ARG  41           H        ARG  41  -1.600  -0.935  -5.224
  317    HA   ARG  41           HA       ARG  41  -0.358   0.425  -2.911
  318   1HB   ARG  41          2HB       ARG  41   1.757   0.621  -4.528
  319   2HB   ARG  41          1HB       ARG  41   1.563  -0.759  -3.451
  320   1HG   ARG  41          2HG       ARG  41   2.134  -1.581  -5.664
  321   2HG   ARG  41          1HG       ARG  41   0.454  -2.000  -5.329
  322   1HD   ARG  41          2HD       ARG  41  -0.299  -0.028  -6.627
  323   2HD   ARG  41          1HD       ARG  41   1.393   0.371  -6.985
  324    HE   ARG  41           HE       ARG  41   1.033  -2.345  -7.672
  325   1HH1  ARG  41          1HH2      ARG  41   2.096  -0.482  -9.664
  326   2HH1  ARG  41          2HH2      ARG  41   0.821  -0.374 -10.833
  327   1HH2  ARG  41          2HH1      ARG  41  -1.592  -1.677  -8.711
  328   2HH2  ARG  41          1HH1      ARG  41  -1.267  -1.048 -10.293
  329    H    GLY  42           H        GLY  42   0.614   2.599  -3.729
  330   1HA   GLY  42          2HA       GLY  42   0.381   3.980  -5.987
  331   2HA   GLY  42          1HA       GLY  42  -1.335   3.764  -5.641
  332    H    CYS  43           H        CYS  43  -1.134   6.236  -5.589
  333    HA   CYS  43           HA       CYS  43  -0.121   7.201  -2.944
  334   1HB   CYS  43          2HB       CYS  43   0.260   8.078  -5.535
  335   2HB   CYS  43          1HB       CYS  43  -1.023   9.145  -4.963
  336    H    ALA  44           H        ALA  44  -1.525   8.631  -1.709
  337    HA   ALA  44           HA       ALA  44  -4.331   8.967  -2.529
  338   1HB   ALA  44          1HB       ALA  44  -3.609   7.266  -0.123
  339   2HB   ALA  44          2HB       ALA  44  -4.076   6.600  -1.688
  340   3HB   ALA  44          3HB       ALA  44  -5.226   7.564  -0.759
  341    H    ALA  45           H        ALA  45  -5.567  10.068  -0.661
  342    HA   ALA  45           HA       ALA  45  -3.733  11.609   1.134
  343   1HB   ALA  45          1HB       ALA  45  -5.812  13.315   0.212
  344   2HB   ALA  45          2HB       ALA  45  -5.159  12.497  -1.207
  345   3HB   ALA  45          3HB       ALA  45  -4.090  13.428  -0.156
  346    H    THR  46           H        THR  46  -6.196   9.512   1.063
  347    HA   THR  46           HA       THR  46  -7.789  10.884   3.200
  348    HB   THR  46           HB       THR  46  -8.652   8.378   1.806
  349    HG1  THR  46           HG1      THR  46  -8.390   9.324  -0.039
  350   1HG2  THR  46          1HG2      THR  46  -9.829  10.075   3.593
  351   2HG2  THR  46          2HG2      THR  46 -10.720   9.042   2.475
  352   3HG2  THR  46          3HG2      THR  46 -10.416  10.730   2.065
  353    H    CYS  47           H        CYS  47  -6.018   7.932   2.359
  354    HA   CYS  47           HA       CYS  47  -5.240   6.164   3.718
  355   1HB   CYS  47          2HB       CYS  47  -4.307   8.332   4.735
  356   2HB   CYS  47          1HB       CYS  47  -5.585   8.184   5.941
  357    HA   PRO  48           HA       PRO  48  -9.572   5.463   5.287
  358   1HB   PRO  48          2HB       PRO  48 -10.152   3.355   3.640
  359   2HB   PRO  48          1HB       PRO  48 -10.451   5.045   3.187
  360   1HG   PRO  48          2HG       PRO  48  -8.236   3.234   2.383
  361   2HG   PRO  48          1HG       PRO  48  -9.085   4.468   1.442
  362   1HD   PRO  48          2HD       PRO  48  -6.603   4.820   2.550
  363   2HD   PRO  48          1HD       PRO  48  -7.726   6.146   2.177
  364    H    LYS  49           H        LYS  49 -10.394   3.157   6.060
  365    HA   LYS  49           HA       LYS  49  -8.016   1.671   7.130
  366   1HB   LYS  49          2HB       LYS  49 -10.785   2.253   8.213
  367   2HB   LYS  49          1HB       LYS  49  -9.685   1.103   8.973
  368   1HG   LYS  49          2HG       LYS  49  -7.961   3.016   8.970
  369   2HG   LYS  49          1HG       LYS  49  -9.325   4.081   8.626
  370   1HD   LYS  49          2HD       LYS  49 -10.133   2.365  10.740
  371   2HD   LYS  49          1HD       LYS  49  -8.524   2.962  11.150
  372   1HE   LYS  49          2HE       LYS  49  -9.483   5.295  10.410
  373   2HE   LYS  49          1HE       LYS  49 -11.056   4.525  10.701
  374   1HZ   LYS  49          1HZ       LYS  49 -10.318   5.443  12.759
  375   2HZ   LYS  49          2HZ       LYS  49  -8.783   4.733  12.600
  376   3HZ   LYS  49          3HZ       LYS  49 -10.148   3.759  12.869
  377    H    GLY  50           H        GLY  50  -9.002  -0.645   7.934
  378   1HA   GLY  50          2HA       GLY  50 -10.213  -1.838   5.479
  379   2HA   GLY  50          1HA       GLY  50  -9.203  -2.715   6.631
  380    H    SER  51           H        SER  51 -10.897  -4.306   6.896
  381    HA   SER  51           HA       SER  51 -13.080  -3.360   8.717
  382   1HB   SER  51          2HB       SER  51 -14.295  -3.643   6.764
  383   2HB   SER  51          1HB       SER  51 -13.173  -4.840   6.120
  384    HG   SER  51           HG       SER  51 -14.940  -5.980   6.726
  385    H    VAL  52           H        VAL  52 -11.372  -4.270  10.270
  386    HA   VAL  52           HA       VAL  52 -10.774  -5.977  11.787
  387    HB   VAL  52           HB       VAL  52 -12.927  -7.556  10.358
  388   1HG1  VAL  52          1HG1      VAL  52 -11.705  -7.575  13.120
  389   2HG1  VAL  52          2HG1      VAL  52 -11.829  -8.907  11.971
  390   3HG1  VAL  52          3HG1      VAL  52 -13.272  -8.317  12.795
  391   1HG2  VAL  52          1HG2      VAL  52 -13.945  -6.238  12.665
  392   2HG2  VAL  52          2HG2      VAL  52 -14.426  -5.996  10.987
  393   3HG2  VAL  52          3HG2      VAL  52 -13.138  -5.014  11.684
  394    H    TYR  53           H        TYR  53 -11.754  -7.819   8.871
  395    HA   TYR  53           HA       TYR  53  -8.931  -8.516   8.321
  396   1HB   TYR  53          2HB       TYR  53 -10.057 -10.015  10.145
  397   2HB   TYR  53          1HB       TYR  53 -10.932 -10.721   8.787
  398    HD1  TYR  53           HD1      TYR  53  -9.890 -12.281   7.337
  399    HD2  TYR  53           HD2      TYR  53  -7.510  -9.984  10.078
  400    HE1  TYR  53           HE1      TYR  53  -7.911 -13.669   6.781
  401    HE2  TYR  53           HE2      TYR  53  -5.531 -11.371   9.521
  402    HH   TYR  53           HH       TYR  53  -4.710 -12.836   7.908
  403    H    GLY  54           H        GLY  54 -10.399  -7.056   6.590
  404   1HA   GLY  54          2HA       GLY  54 -11.156  -9.039   4.487
  405   2HA   GLY  54          1HA       GLY  54 -12.156  -7.615   4.776
  406    H    LEU  55           H        LEU  55 -10.484  -5.548   4.977
  407    HA   LEU  55           HA       LEU  55  -8.657  -5.689   2.605
  408   1HB   LEU  55          2HB       LEU  55  -9.640  -3.335   2.129
  409   2HB   LEU  55          1HB       LEU  55 -10.656  -4.728   1.761
  410    HG   LEU  55           HG       LEU  55 -10.897  -3.746   4.532
  411   1HD1  LEU  55          1HD1      LEU  55 -12.408  -2.097   2.587
  412   2HD1  LEU  55          2HD1      LEU  55 -10.684  -1.740   2.708
  413   3HD1  LEU  55          3HD1      LEU  55 -11.708  -1.646   4.141
  414   1HD2  LEU  55          1HD2      LEU  55 -12.807  -4.912   4.279
  415   2HD2  LEU  55          2HD2      LEU  55 -12.373  -5.231   2.599
  416   3HD2  LEU  55          3HD2      LEU  55 -13.329  -3.807   3.007
  417    H    TYR  56           H        TYR  56  -6.755  -5.527   3.857
  418    HA   TYR  56           HA       TYR  56  -6.498  -3.550   6.007
  419   1HB   TYR  56          2HB       TYR  56  -5.399  -5.773   5.999
  420   2HB   TYR  56          1HB       TYR  56  -4.484  -5.306   4.566
  421    HD1  TYR  56           HD1      TYR  56  -2.260  -4.869   5.093
  422    HD2  TYR  56           HD2      TYR  56  -5.345  -3.572   7.785
  423    HE1  TYR  56           HE1      TYR  56  -0.551  -3.794   6.534
  424    HE2  TYR  56           HE2      TYR  56  -3.637  -2.497   9.225
  425    HH   TYR  56           HH       TYR  56  -1.234  -2.699   9.687
  426    H    VAL  57           H        VAL  57  -6.593  -1.434   5.188
  427    HA   VAL  57           HA       VAL  57  -4.704  -0.762   2.955
  428    HB   VAL  57           HB       VAL  57  -6.971  -0.346   2.329
  429   1HG1  VAL  57          1HG1      VAL  57  -8.138  -0.546   4.386
  430   2HG1  VAL  57          2HG1      VAL  57  -8.406   1.123   3.883
  431   3HG1  VAL  57          3HG1      VAL  57  -7.214   0.758   5.130
  432   1HG2  VAL  57          1HG2      VAL  57  -5.124   1.721   2.566
  433   2HG2  VAL  57          2HG2      VAL  57  -6.594   2.402   3.266
  434   3HG2  VAL  57          3HG2      VAL  57  -6.611   1.774   1.618
  435    H    LEU  58           H        LEU  58  -3.220   0.909   3.308
  436    HA   LEU  58           HA       LEU  58  -3.416   2.544   5.778
  437   1HB   LEU  58          2HB       LEU  58  -1.907   0.142   5.555
  438   2HB   LEU  58          1HB       LEU  58  -0.752   1.474   5.562
  439    HG   LEU  58           HG       LEU  58  -2.634   2.161   7.519
  440   1HD1  LEU  58          1HD1      LEU  58  -2.162  -0.086   8.920
  441   2HD1  LEU  58          2HD1      LEU  58  -2.239  -0.783   7.303
  442   3HD1  LEU  58          3HD1      LEU  58  -3.612   0.123   7.940
  443   1HD2  LEU  58          1HD2      LEU  58  -0.072   0.712   8.154
  444   2HD2  LEU  58          2HD2      LEU  58  -0.768   2.128   8.943
  445   3HD2  LEU  58          3HD2      LEU  58  -0.022   2.281   7.351
  446    H    CYS  59           H        CYS  59  -1.769   4.307   5.752
  447    HA   CYS  59           HA       CYS  59  -0.752   4.882   2.988
  448   1HB   CYS  59          2HB       CYS  59  -1.357   7.239   3.469
  449   2HB   CYS  59          1HB       CYS  59  -2.764   6.183   3.602
  450    H    CYS  60           H        CYS  60   1.345   5.796   2.900
  451    HA   CYS  60           HA       CYS  60   2.765   6.038   5.538
  452   1HB   CYS  60          2HB       CYS  60   3.493   4.848   2.874
  453   2HB   CYS  60          1HB       CYS  60   4.756   5.431   3.949
  454    H    THR  61           H        THR  61   4.436   7.667   5.630
  455    HA   THR  61           HA       THR  61   4.651   9.576   3.397
  456    HB   THR  61           HB       THR  61   2.672  10.159   4.882
  457    HG1  THR  61           HG1      THR  61   4.897  11.863   4.578
  458   1HG2  THR  61          1HG2      THR  61   2.959  10.700   7.116
  459   2HG2  THR  61          2HG2      THR  61   4.660  11.115   6.904
  460   3HG2  THR  61          3HG2      THR  61   4.163   9.423   6.944
  461    H    THR  62           H        THR  62   6.614   7.818   4.395
  462    HA   THR  62           HA       THR  62   8.573   9.766   5.518
  463    HB   THR  62           HB       THR  62   7.497   8.469   7.361
  464    HG1  THR  62           HG1      THR  62   9.396   8.038   8.319
  465   1HG2  THR  62          1HG2      THR  62   8.476   6.176   5.672
  466   2HG2  THR  62          2HG2      THR  62   6.881   6.421   6.382
  467   3HG2  THR  62          3HG2      THR  62   8.246   5.986   7.410
  468    H    ASP  63           H        ASP  63  10.695   7.971   5.824
  469    HA   ASP  63           HA       ASP  63  11.733   7.697   3.202
  470   1HB   ASP  63          2HB       ASP  63  12.775   7.626   5.614
  471   2HB   ASP  63          1HB       ASP  63  12.519   5.886   5.471
  472    H    ASP  64           H        ASP  64  11.754   5.981   1.719
  473    HA   ASP  64           HA       ASP  64  11.083   3.936   0.725
  474   1HB   ASP  64          2HB       ASP  64  11.862   3.465   3.372
  475   2HB   ASP  64          1HB       ASP  64  10.333   2.603   3.203
  476    H    CYS  65           H        CYS  65   8.931   3.895   3.622
  477    HA   CYS  65           HA       CYS  65   6.611   3.182   2.111
  478   1HB   CYS  65          2HB       CYS  65   7.433   3.353   4.744
  479   2HB   CYS  65          1HB       CYS  65   6.235   4.639   4.648
  480    H    ASN  66           HN       ASN  66   8.255   6.156   2.458
  481    HA   ASN  66           HA       ASN  66   6.773   8.345   2.581
  482   1HB   ASN  66          2HB       ASN  66   8.966   7.534   1.074
  483   2HB   ASN  66          1HB       ASN  66   7.867   8.216  -0.126
  484   1HD2  ASN  66          1HD2      ASN  66   9.406  10.070  -0.329
  485   2HD2  ASN  66          2HD2      ASN  66   9.402  11.296   0.845