*HEADER    TOXIN                                   12-JUN-00   1F53              
*TITLE     NMR STRUCTURE OF KILLER TOXIN-LIKE PROTEIN SKLP                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: YEAST KILLER TOXIN-LIKE PROTEIN;                           
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 CELL: F-287                                                          
*KEYWDS    KILLER TOXIN-LIKE PROTEIN,SKLP, CRYSTALLIN FAMILY                     
*EXPDTA    NMR                                                                   
*AUTHOR    S.OHKI, E.KARIYA, K.HIRAGA, A.WAKAMIYA, T.ISOBE, K.ODA,               
*AUTHOR   2 M.KAINOSHO                                                           
*REVDAT   1   27-DEC-00 1F53    0                                                
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assign (resid   77 and  name HA   )(resid   78 and  name HN   ) 0.0 0.0 2.7 
assign (resid   77 and  name HB#  )(resid   77 and  name HN   ) 0.0 0.6 3.3 
assign (resid   77 and  name HB#  )(resid   78 and  name HN   ) 0.0 1.0 6.0 
assign (resid   77 and  name HG#  )(resid   77 and  name HN   ) 0.0 1.0 6.0 
assign (resid   77 and  name HG#  )(resid   78 and  name HN   ) 0.0 1.0 4.5 
assign (resid   78 and  name HA   )(resid   78 and  name HB   ) 0.0 0.0 3.5 
assign (resid   78 and  name HA   )(resid   78 and  name HG1# ) 0.0 1.5 5.0 
assign (resid   78 and  name HA   )(resid   78 and  name HG2# ) 0.0 1.5 5.0 
assign (resid   78 and  name HA   )(resid   78 and  name HN   ) 0.0 0.0 3.5 
assign (resid   78 and  name HA   )(resid   79 and  name HN   ) 0.0 0.0 2.7 
assign (resid   78 and  name HA   )(resid   80 and  name HN   ) 0.0 0.0 3.5 
assign (resid   78 and  name HB   )(resid   78 and  name HG1# ) 0.0 1.5 5.0 
assign (resid   78 and  name HB   )(resid   78 and  name HG2# ) 0.0 1.5 5.0 
assign (resid   78 and  name HB   )(resid   78 and  name HN   ) 0.0 0.0 2.7 
assign (resid   78 and  name HB   )(resid   79 and  name HN   ) 0.0 0.0 5.0 
assign (resid   78 and  name HG1# )(resid   78 and  name HN   ) 0.0 1.5 5.0 
assign (resid   78 and  name HG1# )(resid   79 and  name HN   ) 0.0 1.5 5.0 
assign (resid   78 and  name HG1# )(resid   80 and  name HA   ) 0.0 1.5 5.0 
assign (resid   78 and  name HG1# )(resid   80 and  name HN   ) 0.0 1.5 4.2 
assign (resid   78 and  name HG2# )(resid   78 and  name HN   ) 0.0 1.5 5.0 
assign (resid   78 and  name HG2# )(resid   79 and  name HN   ) 0.0 1.5 6.5 
assign (resid   78 and  name HG2# )(resid   80 and  name HN   ) 0.0 1.5 6.5 
assign (resid   78 and  name HN   )(resid   79 and  name HD2# ) 0.0 1.0 6.0 
assign (resid   79 and  name HA   )(resid   79 and  name HB#  ) 0.0 1.0 3.7 
assign (resid   79 and  name HA   )(resid   79 and  name HN   ) 0.0 0.0 5.0 
assign (resid   79 and  name HA   )(resid   80 and  name HN   ) 0.0 0.0 3.5 
assign (resid   79 and  name HB#  )(resid   79 and  name HN   ) 0.0 0.6 4.1 
assign (resid   79 and  name HB#  )(resid   80 and  name HN   ) 0.0 1.0 4.5 
assign (resid   79 and  name HD2# )(resid   80 and  name HN   ) 0.0 1.0 6.0 
assign (resid   79 and  name HN   )(resid   80 and  name HB#  ) 0.0 1.0 6.0 
assign (resid   79 and  name HN   )(resid   80 and  name HN   ) 0.0 0.0 2.7 
assign (resid   80 and  name HA   )(resid   80 and  name HN   ) 0.0 0.0 3.5 
assign (resid   80 and  name HA   )(resid   81 and  name HN   ) 0.0 0.0 2.7 
assign (resid   80 and  name HB#  )(resid   80 and  name HN   ) 0.0 0.6 4.1 
assign (resid   80 and  name HB#  )(resid   81 and  name HN   ) 0.0 1.0 4.5 
assign (resid   80 and  name HN   )(resid   81 and  name HN   ) 0.0 0.0 5.0 
assign (resid   81 and  name HA   )(resid   81 and  name HD#  ) 0.0 1.5 6.5 
assign (resid   81 and  name HA   )(resid   81 and  name HG1# ) 0.0 1.0 6.0 
assign (resid   81 and  name HA   )(resid   81 and  name HN   ) 0.0 0.0 3.5 
assign (resid   81 and  name HA   )(resid   82 and  name HN   ) 0.0 0.0 2.7 
assign (resid   81 and  name HA   )(resid   83 and  name HN   ) 0.0 0.0 5.0 
assign (resid   81 and  name HB   )(resid   81 and  name HD#  ) 0.0 1.5 5.0 
assign (resid   81 and  name HB   )(resid   81 and  name HG2* ) 0.0 0.0 3.5 
assign (resid   81 and  name HB   )(resid   81 and  name HN   ) 0.0 0.0 3.5 
assign (resid   81 and  name HB   )(resid   82 and  name HN   ) 0.0 0.0 3.5 
assign (resid   81 and  name HD#  )(resid   81 and  name HG1# ) 0.0 2.5 5.2 
assign (resid   81 and  name HD#  )(resid   81 and  name HG2* ) 0.0 1.5 5.0 
assign (resid   81 and  name HD#  )(resid   81 and  name HN   ) 0.0 1.5 6.5 
assign (resid   81 and  name HD#  )(resid   82 and  name HN   ) 0.0 1.5 6.5 
assign (resid   81 and  name HD#  )(resid   83 and  name HD#  ) 0.0 3.0 6.5 
assign (resid   81 and  name HG1# )(resid   81 and  name HG2* ) 0.0 1.0 6.0 
assign (resid   81 and  name HG1# )(resid   82 and  name HN   ) 0.0 1.0 6.0 
assign (resid   81 and  name HG2* )(resid   82 and  name HA   ) 0.0 0.0 3.5 
assign (resid   81 and  name HG2* )(resid   82 and  name HN   ) 0.0 0.0 3.5 
assign (resid   81 and  name HN   )(resid   82 and  name HA   ) 0.0 0.0 5.0 
assign (resid   81 and  name HN   )(resid   82 and  name HN   ) 0.0 0.0 5.0 
assign (resid   82 and  name HA   )(resid   82 and  name HB#  ) 0.0 1.0 4.5 
assign (resid   82 and  name HA   )(resid   82 and  name HG#  ) 0.0 1.0 4.5 
assign (resid   82 and  name HA   )(resid   82 and  name HN   ) 0.0 0.0 3.5 
assign (resid   82 and  name HA   )(resid   83 and  name HN   ) 0.0 0.0 2.7 
assign (resid   82 and  name HB#  )(resid   82 and  name HN   ) 0.0 0.6 4.1 
assign (resid   82 and  name HB#  )(resid   83 and  name HN   ) 0.0 1.0 4.5 
assign (resid   82 and  name HB#  )(resid   84 and  name HD2# ) 0.0 2.5 7.5 
assign (resid   82 and  name HG#  )(resid   82 and  name HN   ) 0.0 1.0 6.0 
assign (resid   83 and  name HA   )(resid   83 and  name HB   ) 0.0 0.0 3.5 
assign (resid   83 and  name HA   )(resid   83 and  name HD#  ) 0.0 1.5 5.0 
assign (resid   83 and  name HA   )(resid   83 and  name HG1# ) 0.0 1.0 4.5 
assign (resid   83 and  name HA   )(resid   83 and  name HG2* ) 0.0 0.0 3.5 
assign (resid   83 and  name HA   )(resid   83 and  name HN   ) 0.0 0.0 3.5 
assign (resid   83 and  name HA   )(resid   84 and  name HN   ) 0.0 0.0 2.7 
assign (resid   83 and  name HB   )(resid   83 and  name HN   ) 0.0 0.0 2.7 
assign (resid   83 and  name HB   )(resid   84 and  name HN   ) 0.0 0.0 5.0 
assign (resid   83 and  name HD#  )(resid   83 and  name HN   ) 0.0 1.5 5.0 
assign (resid   83 and  name HG2* )(resid   84 and  name HN   ) 0.0 0.0 3.5 
assign (resid   83 and  name HN   )(resid   84 and  name HA   ) 0.0 0.0 5.0 
assign (resid   84 and  name HA   )(resid   84 and  name HN   ) 0.0 0.0 3.5 
assign (resid   84 and  name HB#  )(resid   84 and  name HN   ) 0.0 0.6 3.3 
assign (resid   84 and  name HD*  )(resid   84 and  name HN   ) 0.0 0.0 3.5 


! S-S bridge
!
!
assign (resi    6  and name SG   ) (resi   27  and name SG   ) 2.0 0.1 0.1 ! med 
assign (resi    6  and name CB   ) (resi   27  and name SG   ) 3.0 0.5 0.5 ! med 
assign (resi    6  and name SG   ) (resi   27  and name CB   ) 3.0 0.5 0.5 ! med 

!H-bonds 
!
!
!  2D (NH) & 29A (CO)  
assign (resid   2  and   name N    )(resid   29 and   name O    )  0.0 0.0 3.3
assign (resid   2  and   name HN   )(resid   29 and   name O    )  0.0 0.0 2.3
!
!  4V (NH) & 27C (CO)
assign (resid   4  and   name N    )(resid   27 and   name O    )  0.0 0.0 3.3
assign (resid   4  and   name HN   )(resid   27 and   name O    )  0.0 0.0 2.3
!
! 14K (NH) & 45S (CO)
assign (resid   14 and   name N    )(resid   45 and   name O    )  0.0 0.0 3.3
assign (resid   14 and   name HN   )(resid   45 and   name O    )  0.0 0.0 2.3
!
! 15I (NH) & 26D (CO)
assign (resid   15 and   name N    )(resid   26 and   name O    )  0.0 0.0 3.3
assign (resid   15 and   name HN   )(resid   26 and   name O    )  0.0 0.0 2.3
!
! 16W (NH) & 43K (CO)
assign (resid   16 and   name N    )(resid   43 and   name O    )  0.0 0.0 3.3
assign (resid   16 and   name HN   )(resid   43 and   name O    )  0.0 0.0 2.3
!
! 17S (NH) & 24S (CO)
assign (resid   17 and   name N    )(resid   24 and   name O    )  0.0 0.0 3.3
assign (resid   17 and   name HN   )(resid   24 and   name O    )  0.0 0.0 2.3
!
! 24S (NH) & 17S (CO)
assign (resid   24 and   name N    )(resid   17 and   name O    )  0.0 0.0 3.3
assign (resid   24 and   name HN   )(resid   17 and   name O    )  0.0 0.0 2.3
!
! 26D (NH) & 15I (CO)
assign (resid   26 and   name N    )(resid   15 and   name O    )  0.0 0.0 3.3
assign (resid   26 and   name HN   )(resid   15 and   name O    )  0.0 0.0 2.3
!
! 28Y (NH) & 13L (CO)
assign (resid   28 and   name N    )(resid   13 and   name O    )  0.0 0.0 3.3
assign (resid   28 and   name HN   )(resid   13 and   name O    )  0.0 0.0 2.3
!
! 29A (NH) &  2D (CO)
assign (resid   29 and   name N    )(resid    2 and   name O    )  0.0 0.0 3.3
assign (resid   29 and   name HN   )(resid    2 and   name O    )  0.0 0.0 2.3
!
! 32G (NH) & 83I (CO)
assign (resid   32 and   name N    )(resid   83 and   name O    )  0.0 0.0 3.3
assign (resid   32 and   name HN   )(resid   83 and   name O    )  0.0 0.0 2.3
!
! 34I (NH) & 81I (CO)
assign (resid   34 and   name N    )(resid   81 and   name O    )  0.0 0.0 3.3
assign (resid   34 and   name HN   )(resid   81 and   name O    )  0.0 0.0 2.3 
!
! 36F (NH) & 79N (CO)
assign (resid   36 and   name N    )(resid   79 and   name O    )  0.0 0.0 3.3
assign (resid   36 and   name HN   )(resid   79 and   name O    )  0.0 0.0 2.3 
!
! 43K (NH) & 16W (CO)
assign (resid   43 and   name N    )(resid   16 and   name O    )  0.0 0.0 3.3
assign (resid   43 and   name HN   )(resid   16 and   name O    )  0.0 0.0 2.3
!
! 44I (NH) & 69I (CO)
assign (resid   44 and   name N    )(resid   69 and   name O    )  0.0 0.0 3.3
assign (resid   44 and   name HN   )(resid   69 and   name O    )  0.0 0.0 2.3
!
! 45S (NH) & 14K (CO)
assign (resid   45 and   name N    )(resid   14 and   name O    )  0.0 0.0 3.3
assign (resid   45 and   name HN   )(resid   14 and   name O    )  0.0 0.0 2.3 
!
! 46T (NH) & 67H (CO)
assign (resid   46 and   name N    )(resid   67 and   name O    )  0.0 0.0 3.3
assign (resid   46 and   name HN   )(resid   67 and   name O    )  0.0 0.0 2.3 
!
! 50D (NH) & 84L (CO)
assign (resid   50 and   name N    )(resid   84 and   name O    )  0.0 0.0 3.3
assign (resid   50 and   name HN   )(resid   84 and   name O    )  0.0 0.0 2.3
!
! 51L (NH) & 63V (CO)
assign (resid   51 and   name N    )(resid   63 and   name O    )  0.0 0.0 3.3
assign (resid   51 and   name HN   )(resid   63 and   name O    )  0.0 0.0 2.3
!
! 52I (NH) & 82E (CO)
assign (resid   52 and   name N    )(resid   82 and   name O    )  0.0 0.0 3.3
assign (resid   52 and   name HN   )(resid   82 and   name O    )  0.0 0.0 2.3
!
! 53Y (NH) & 61V (CO)
assign (resid   53 and   name N    )(resid   61 and   name O    )  0.0 0.0 3.3
assign (resid   53 and   name HN   )(resid   61 and   name O    )  0.0 0.0 2.3
!
! 54Y (NH) & 80S (CO)
assign (resid   54 and   name N    )(resid   80 and   name O    )  0.0 0.0 3.3
assign (resid   54 and   name HN   )(resid   80 and   name O    )  0.0 0.0 2.3
!
! 55D (NH) & 59D (CO)
assign (resid   55 and   name N    )(resid   59 and   name O    )  0.0 0.0 3.3
assign (resid   55 and   name HN   )(resid   59 and   name O    )  0.0 0.0 2.3
!
! 61V (NH) & 53Y (CO)
assign (resid   61 and   name N    )(resid   53 and   name O    )  0.0 0.0 3.3
assign (resid   61 and   name HN   )(resid   53 and   name O    )  0.0 0.0 2.3
!
! 63V (NH) & 51L (CO)
assign (resid   63 and   name N    )(resid   51 and   name O    )  0.0 0.0 3.3
assign (resid   63 and   name HN   )(resid   51 and   name O    )  0.0 0.0 2.3
!
! 65R (NH) & 49N(CO)
!assign (resid   65 and   name N    )(resid   49 and   name O    )  0.0 0.0 3.3
!assign (resid   65 and   name HN   )(resid   49 and   name O    )  0.0 0.0 2.3
!
! 67H (NH) & 46T (CO)
assign (resid   67 and   name N    )(resid   46 and   name O    )  0.0 0.0 3.3
assign (resid   67 and   name HN   )(resid   46 and   name O    )  0.0 0.0 2.3 
!
! 69I (NH) & 44I (CO)
assign (resid   69 and   name N    )(resid   44 and   name O    )  0.0 0.0 3.3
assign (resid   69 and   name HN   )(resid   44 and   name O    )  0.0 0.0 2.3
!
! 79N (NH) & 36F (CO)
!assign (resid   79 and   name N    )(resid   36 and   name O    )  0.0 0.0 3.3
!assign (resid   79 and   name HN   )(resid   36 and   name O    )  0.0 0.0 2.3
!
! 80S (NH) & 54Y (CO)
!assign (resid   80 and   name N    )(resid   54 and   name O    )  0.0 0.0 3.3
!assign (resid   80 and   name HN   )(resid   54 and   name O    )  0.0 0.0 2.3
!
! 81I (NH) & 34I (CO)
assign (resid   81 and   name N    )(resid   34 and   name O    )  0.0 0.0 3.3
assign (resid   81 and   name HN   )(resid   34 and   name O    )  0.0 0.0 2.3
!
! 82E (NH) & 52I (CO)
assign (resid   82 and   name N    )(resid   52 and   name O    )  0.0 0.0 3.3
assign (resid   82 and   name HN   )(resid   52 and   name O    )  0.0 0.0 2.3
!
! 83I (NH) & 32G (CO)
assign (resid   83 and   name N    )(resid   32 and   name O    )  0.0 0.0 3.3
assign (resid   83 and   name HN   )(resid   32 and   name O    )  0.0 0.0 2.3
!
! 84L (NH) & 50D (CO)
assign (resid   84 and   name N    )(resid   50 and   name O    )  0.0 0.0 3.3
assign (resid   84 and   name HN   )(resid   50 and   name O    )  0.0 0.0 2.3 
set message=off echo=off end
restraints dihedral reset
 

!! phi torsion constraints
!!
!!
!!
!  D2 - sheet
assign (resid   1 and name c) (resid   2 and name n)
       (resid   2 and name ca)(resid   2 and name c) 1 -120.0   50.0  2
!
!  H3 - sheet
assign (resid   2 and name c) (resid   3 and name n)
       (resid   3 and name ca)(resid   3 and name c) 1 -120.0   50.0  2
!
!  V4 - sheet
assign (resid   3 and name c) (resid   4 and name n)
       (resid   4 and name ca)(resid   4 and name c) 1 -120.0   50.0  2
!
!  E10 - sheet
assign (resid   9 and name c) (resid  10 and name n)
       (resid  10 and name ca)(resid  10 and name c) 1 -120.0   50.0  2
!
!  N11 - sheet
!assign (resid  10 and name c) (resid  11 and name n)
!       (resid  11 and name ca)(resid  11 and name c) 1 -120.0   50.0  2
!
!  K14 - sheet
assign (resid  13 and name c) (resid  14 and name n)
       (resid  14 and name ca)(resid  14 and name c) 1 -120.0   50.0  2
!
!  I15 - sheet
assign (resid  14 and name c) (resid  15 and name n)
       (resid  15 and name ca)(resid  15 and name c) 1 -120.0   50.0  2
!
!  W16 - sheet
assign (resid  15 and name c) (resid  16 and name n)
       (resid  16 and name ca)(resid  16 and name c) 1 -120.0   50.0  2
!
!  S17 - sheet
assign (resid  16 and name c) (resid  17 and name n)
       (resid  17 and name ca)(resid  17 and name c) 1 -120.0   50.0  2
!
!  H18 - sheet
assign (resid  17 and name c) (resid  18 and name n)
       (resid  18 and name ca)(resid  18 and name c) 1 -120.0   50.0  2
!
!  Q22 - sheet
assign (resid  21 and name c) (resid  22 and name n)
       (resid  22 and name ca)(resid  22 and name c) 1 -120.0   50.0  2
!
!  Q23 - sheet
assign (resid  22 and name c) (resid  23 and name n)
       (resid  23 and name ca)(resid  23 and name c) 1 -120.0   50.0  2
!
!  S24 - sheet
assign (resid  23 and name c) (resid  24 and name n)
       (resid  24 and name ca)(resid  24 and name c) 1 -120.0   50.0  2
!
!  V25 - sheet
assign (resid  24 and name c) (resid  25 and name n)
       (resid  25 and name ca)(resid  25 and name c) 1 -120.0   50.0  2
!
!  D26 - sheet
assign (resid  25 and name c) (resid  26 and name n)
       (resid  26 and name ca)(resid  26 and name c) 1 -120.0   50.0  2
!
!  C27 - sheet
assign (resid  26 and name c) (resid  27 and name n)
       (resid  27 and name ca)(resid  27 and name c) 1 -120.0   50.0  2
!
!  Y28 - sheet
assign (resid  27 and name c) (resid  28 and name n)
       (resid  28 and name ca)(resid  28 and name c) 1 -120.0   50.0  2
!
!  A29 - sheet
assign (resid  28 and name c) (resid  29 and name n)
       (resid  29 and name ca)(resid  29 and name c) 1 -120.0   50.0  2
!
!  G32 - sheet
!assign (resid  31 and name c) (resid  32 and name n)
!       (resid  32 and name ca)(resid  32 and name c) 1 -120.0   50.0  2
!
!  R33 - sheet
assign (resid  32 and name c) (resid  33 and name n)
       (resid  33 and name ca)(resid  33 and name c) 1 -120.0   50.0  2
!
!  I34 - sheet
assign (resid  33 and name c) (resid  34 and name n)
       (resid  34 and name ca)(resid  34 and name c) 1 -120.0   50.0  2
!
!  D35 - sheet 
!assign (resid  34 and name c) (resid  35 and name n)
!       (resid  35 and name ca)(resid  35 and name c) 1 -120.0   50.0  2
!
!  F36 - sheet
assign (resid  35 and name c) (resid  36 and name n)
       (resid  36 and name ca)(resid  36 and name c) 1 -120.0   50.0  2
!
!  W39 - sheet
!assign (resid  38 and name c) (resid  39 and name n)
!       (resid  39 and name ca)(resid  39 and name c) 1 -120.0   50.0  2
!
!  W40 - sheet
!assign (resid  39 and name c) (resid  40 and name n)
!       (resid  40 and name ca)(resid  40 and name c) 1 -120.0   50.0  2
!
!  V41 - sheet
assign (resid  40 and name c) (resid  41 and name n)
       (resid  41 and name ca)(resid  41 and name c) 1 -120.0   50.0  2
!
!  D42 - sheet
!assign (resid  41 and name c) (resid  42 and name n)
!       (resid  42 and name ca)(resid  42 and name c) 1 -120.0   50.0  2
!
!  I44 - sheet
assign (resid  43 and name c) (resid  44 and name n)
       (resid  44 and name ca)(resid  44 and name c) 1 -120.0   50.0  2
!
!  S45 - sheet
assign (resid  44 and name c) (resid  45 and name n)
       (resid  45 and name ca)(resid  45 and name c) 1 -120.0   50.0  2
!
!  N48 - sheet
!assign (resid  47 and name c) (resid  48 and name n)
!       (resid  48 and name ca)(resid  48 and name c) 1 -120.0   50.0  2
!
!  N49 - sheet
assign (resid  48 and name c) (resid  49 and name n)
       (resid  49 and name ca)(resid  49 and name c) 1 -120.0   50.0  2
!
!  D50 - sheet
!assign (resid  49 and name c) (resid  50 and name n)
!       (resid  50 and name ca)(resid  50 and name c) 1 -120.0   50.0  2
!
!  L51 - sheet
assign (resid  50 and name c) (resid  51 and name n)
       (resid  51 and name ca)(resid  51 and name c) 1 -120.0   50.0  2
!
!  I52 - sheet
assign (resid  51 and name c) (resid  52 and name n)
       (resid  52 and name ca)(resid  52 and name c) 1 -120.0   50.0  2
!
!  Y53 - sheet
assign (resid  52 and name c) (resid  53 and name n)
       (resid  53 and name ca)(resid  53 and name c) 1 -120.0   50.0  2
!
!  Y54 - sheet
assign (resid  53 and name c) (resid  54 and name n)
       (resid  54 and name ca)(resid  54 and name c) 1 -120.0   50.0  2
!
!  D55 - sheet
assign (resid  54 and name c) (resid  55 and name n)
       (resid  55 and name ca)(resid  55 and name c) 1 -120.0   50.0  2
!
!  N57 - sheet
assign (resid  56 and name c) (resid  57 and name n)
       (resid  57 and name ca)(resid  57 and name c) 1 -120.0   50.0  2
!
!  D59 - sheet
assign (resid  58 and name c) (resid  59 and name n)
       (resid  59 and name ca)(resid  59 and name c) 1 -120.0   50.0  2
!
!  S60 - sheet
!assign (resid  59 and name c) (resid  60 and name n)
!       (resid  60 and name ca)(resid  60 and name c) 1 -120.0   50.0  2
!
!  V61 - sheet
assign (resid  60 and name c) (resid  61 and name n)
       (resid  61 and name ca)(resid  61 and name c) 1 -120.0   50.0  2
!
!  R62 - sheet
assign (resid  61 and name c) (resid  62 and name n)
       (resid  62 and name ca)(resid  62 and name c) 1 -120.0   50.0  2
!
!  V63 - sheet
assign (resid  62 and name c) (resid  63 and name n)
       (resid  63 and name ca)(resid  63 and name c) 1 -120.0   50.0  2
!
!  H67 - sheet
assign (resid  66 and name c) (resid  67 and name n)
       (resid  67 and name ca)(resid  67 and name c) 1 -120.0   50.0  2
!
!  D68 - sheet
assign (resid  67 and name c) (resid  68 and name n)
       (resid  68 and name ca)(resid  68 and name c) 1 -120.0   50.0  2
!
!  I69 - sheet
assign (resid  68 and name c) (resid  69 and name n)
       (resid  69 and name ca)(resid  69 and name c) 1 -120.0   50.0  2
!
!  T70 - sheet
assign (resid  69 and name c) (resid  69 and name n)
       (resid  70 and name ca)(resid  70 and name c) 1 -120.0   50.0  2
!
!  Y71 - sheet
!assign (resid  70 and name c) (resid  71 and name n)
!       (resid  71 and name ca)(resid  71 and name c) 1 -120.0   50.0  2
!
!  K77 - sheet
!assign (resid  76 and name c) (resid  77 and name n)
!       (resid  77 and name ca)(resid  77 and name c) 1 -120.0   50.0  2
!
!  V78 - sheet
!assign (resid  77 and name c) (resid  78 and name n)
!       (resid  78 and name ca)(resid  78 and name c) 1 -120.0   50.0  2
!
!  N79 - sheet
assign (resid  78 and name c) (resid  79 and name n)
       (resid  79 and name ca)(resid  79 and name c) 1 -120.0   50.0  2
!
!  I81 - sheet
assign (resid  80 and name c) (resid  81 and name n)
       (resid  81 and name ca)(resid  81 and name c) 1 -120.0   50.0  2
!
!  E82 - sheet
assign (resid  81 and name c) (resid  82 and name n)
       (resid  82 and name ca)(resid  82 and name c) 1 -120.0   50.0  2
!
!  I83 - sheet
assign (resid  82 and name c) (resid  83 and name n)
       (resid  83 and name ca)(resid  83 and name c) 1 -120.0   50.0  2
!
!  L84 - sheet
!assign (resid  83 and name c) (resid  84 and name n)
!       (resid  84 and name ca)(resid  84 and name c) 1 -120.0   50.0  2
 
end
set message=on echo=on end


  Entry H atom name         Submitted Coord H atom name
    1   1H    ILE   1          1H        ILE   1  53.846  -0.739   3.451
    2   2H    ILE   1          2H        ILE   1  53.458   0.625   2.514
    3   3H    ILE   1          3H        ILE   1  54.866   0.616   3.465
    4    HA   ILE   1           HA       ILE   1  55.493   0.255   1.175
    5    HB   ILE   1           HB       ILE   1  55.562  -2.106   3.077
    6   1HG1  ILE   1          1HG1      ILE   1  56.625   0.058   3.768
    7   2HG1  ILE   1          2HG1      ILE   1  57.769  -1.275   3.626
    8   1HG2  ILE   1          1HG2      ILE   1  57.535  -2.857   1.718
    9   2HG2  ILE   1          2HG2      ILE   1  57.103  -1.648   0.510
   10   3HG2  ILE   1          3HG2      ILE   1  56.000  -2.979   0.858
   11   1HD1  ILE   1          1HD1      ILE   1  58.790  -0.384   1.773
   12   2HD1  ILE   1          2HD1      ILE   1  58.229   1.117   2.507
   13   3HD1  ILE   1          3HD1      ILE   1  57.310   0.381   1.195
   14    H    ASP   2           H        ASP   2  55.529  -1.585  -0.500
   15    HA   ASP   2           HA       ASP   2  53.084  -3.218  -0.694
   16   1HB   ASP   2          1HB       ASP   2  53.307  -0.556  -1.795
   17   2HB   ASP   2          2HB       ASP   2  53.130  -1.726  -3.103
   18    H    HIS   3           H        HIS   3  53.141  -4.521  -2.779
   19    HA   HIS   3           HA       HIS   3  55.969  -5.186  -3.450
   20   1HB   HIS   3          1HB       HIS   3  53.535  -6.601  -2.930
   21   2HB   HIS   3          2HB       HIS   3  54.045  -6.976  -4.576
   22    HD1  HIS   3           HD1      HIS   3  55.427  -9.044  -4.556
   23    HD2  HIS   3           HD2      HIS   3  56.202  -6.663  -1.223
   24    HE1  HIS   3           HE1      HIS   3  57.256 -10.212  -3.251
   25    H    VAL   4           H        VAL   4  56.751  -4.361  -5.349
   26    HA   VAL   4           HA       VAL   4  55.103  -4.430  -7.788
   27    HB   VAL   4           HB       VAL   4  55.545  -1.900  -8.067
   28   1HG1  VAL   4          1HG1      VAL   4  53.481  -1.369  -7.026
   29   2HG1  VAL   4          2HG1      VAL   4  53.710  -2.585  -5.768
   30   3HG1  VAL   4          3HG1      VAL   4  53.347  -3.083  -7.421
   31   1HG2  VAL   4          1HG2      VAL   4  55.787  -2.049  -5.054
   32   2HG2  VAL   4          2HG2      VAL   4  55.981  -0.630  -6.084
   33   3HG2  VAL   4          3HG2      VAL   4  57.190  -1.915  -6.115
   34    HA   PRO   5           HA       PRO   5  59.281  -5.079  -9.147
   35   1HB   PRO   5          1HB       PRO   5  58.701  -5.406 -11.800
   36   2HB   PRO   5          2HB       PRO   5  58.411  -6.667 -10.586
   37   1HG   PRO   5          1HG       PRO   5  56.493  -4.779 -11.847
   38   2HG   PRO   5          2HG       PRO   5  56.274  -6.474 -11.388
   39   1HD   PRO   5          1HD       PRO   5  55.331  -4.360  -9.925
   40   2HD   PRO   5          2HD       PRO   5  55.715  -5.953  -9.237
   41    H    CYS   6           H        CYS   6  58.952  -2.450  -8.589
   42    HA   CYS   6           HA       CYS   6  59.631  -0.286  -9.261
   43   1HB   CYS   6          1HB       CYS   6  60.805  -1.731 -11.645
   44   2HB   CYS   6          2HB       CYS   6  61.430  -0.299 -10.830
   45    H    ARG   7           H        ARG   7  59.187   1.381 -10.920
   46    HA   ARG   7           HA       ARG   7  56.746   0.729 -12.481
   47   1HB   ARG   7          1HB       ARG   7  57.403   2.774 -10.842
   48   2HB   ARG   7          2HB       ARG   7  57.932   3.460 -12.379
   49   1HG   ARG   7          1HG       ARG   7  55.383   2.199 -12.763
   50   2HG   ARG   7          2HG       ARG   7  55.277   3.285 -11.377
   51   1HD   ARG   7          1HD       ARG   7  54.919   4.867 -13.013
   52   2HD   ARG   7          2HD       ARG   7  56.691   4.843 -13.122
   53    HE   ARG   7           HE       ARG   7  56.520   3.375 -15.042
   54   1HH1  ARG   7          1HH1      ARG   7  54.103   5.504 -15.021
   55   2HH1  ARG   7          2HH1      ARG   7  52.906   4.522 -15.797
   56   1HH2  ARG   7          1HH2      ARG   7  54.721   1.585 -15.468
   57   2HH2  ARG   7          2HH2      ARG   7  53.256   2.303 -16.050
   58    H    GLY   8           H        GLY   8  58.726  -0.534 -13.770
   59   1HA   GLY   8          1HA       GLY   8  59.515  -0.685 -16.000
   60   2HA   GLY   8          2HA       GLY   8  58.989   0.978 -16.264
   61    H    GLY   9           H        GLY   9  60.655   1.185 -13.481
   62   1HA   GLY   9          1HA       GLY   9  63.060   1.278 -13.052
   63   2HA   GLY   9          2HA       GLY   9  63.325   1.383 -14.793
   64    H    GLU  10           H        GLU  10  60.872   3.248 -13.083
   65    HA   GLU  10           HA       GLU  10  62.528   5.675 -12.992
   66   1HB   GLU  10          1HB       GLU  10  61.903   5.365 -15.396
   67   2HB   GLU  10          2HB       GLU  10  60.204   5.429 -14.929
   68   1HG   GLU  10          1HG       GLU  10  60.389   7.692 -14.192
   69   2HG   GLU  10          2HG       GLU  10  62.151   7.640 -14.249
   70    H    ASN  11           H        ASN  11  61.009   4.255 -11.004
   71    HA   ASN  11           HA       ASN  11  59.617   6.320  -9.710
   72   1HB   ASN  11          1HB       ASN  11  58.236   5.316 -11.953
   73   2HB   ASN  11          2HB       ASN  11  57.404   4.649 -10.549
   74   1HD2  ASN  11          1HD2      ASN  11  58.113   6.944  -8.788
   75   2HD2  ASN  11          2HD2      ASN  11  57.151   8.244  -9.303
   76    H    PHE  12           H        PHE  12  57.433   4.718  -8.630
   77    HA   PHE  12           HA       PHE  12  57.182   3.297  -6.750
   78   1HB   PHE  12          1HB       PHE  12  58.438   1.869  -9.029
   79   2HB   PHE  12          2HB       PHE  12  58.489   1.025  -7.480
   80    HD1  PHE  12           HD1      PHE  12  56.762   0.700 -10.234
   81    HD2  PHE  12           HD2      PHE  12  55.976   2.024  -6.224
   82    HE1  PHE  12           HE1      PHE  12  54.378   0.076 -10.497
   83    HE2  PHE  12           HE2      PHE  12  53.590   1.401  -6.488
   84    HZ   PHE  12           HZ       PHE  12  52.791   0.427  -8.623
   85    H    LEU  13           H        LEU  13  58.785   1.496  -5.483
   86    HA   LEU  13           HA       LEU  13  61.169   3.142  -4.705
   87   1HB   LEU  13          1HB       LEU  13  59.612   1.059  -3.139
   88   2HB   LEU  13          2HB       LEU  13  60.858   2.130  -2.502
   89    HG   LEU  13           HG       LEU  13  58.830   3.182  -1.892
   90   1HD1  LEU  13          1HD1      LEU  13  59.814   4.360  -4.502
   91   2HD1  LEU  13          2HD1      LEU  13  60.301   4.819  -2.871
   92   3HD1  LEU  13          3HD1      LEU  13  58.669   5.174  -3.439
   93   1HD2  LEU  13          1HD2      LEU  13  56.875   2.845  -2.972
   94   2HD2  LEU  13          2HD2      LEU  13  57.758   1.704  -3.984
   95   3HD2  LEU  13          3HD2      LEU  13  57.552   3.373  -4.512
   96    H    LYS  14           H        LYS  14  63.160   2.222  -5.038
   97    HA   LYS  14           HA       LYS  14  63.287  -0.747  -5.458
   98   1HB   LYS  14          1HB       LYS  14  63.732   1.397  -7.265
   99   2HB   LYS  14          2HB       LYS  14  65.317   0.721  -6.891
  100   1HG   LYS  14          1HG       LYS  14  63.762  -1.540  -7.212
  101   2HG   LYS  14          2HG       LYS  14  63.109  -0.444  -8.431
  102   1HD   LYS  14          1HD       LYS  14  66.077  -0.916  -8.103
  103   2HD   LYS  14          2HD       LYS  14  65.078  -1.893  -9.179
  104   1HE   LYS  14          1HE       LYS  14  64.762   1.054  -9.448
  105   2HE   LYS  14          2HE       LYS  14  66.303   0.373 -10.010
  106   1HZ   LYS  14          1HZ       LYS  14  63.560  -0.333 -10.857
  107   2HZ   LYS  14          2HZ       LYS  14  64.846  -1.425 -11.061
  108   3HZ   LYS  14          3HZ       LYS  14  64.888   0.094 -11.823
  109    H    ILE  15           H        ILE  15  64.801  -1.723  -4.151
  110    HA   ILE  15           HA       ILE  15  66.954   0.001  -2.967
  111    HB   ILE  15           HB       ILE  15  65.488  -2.272  -1.620
  112   1HG1  ILE  15          1HG1      ILE  15  63.988  -0.325  -2.170
  113   2HG1  ILE  15          2HG1      ILE  15  64.206  -0.576  -0.438
  114   1HG2  ILE  15          1HG2      ILE  15  66.742  -0.187  -0.010
  115   2HG2  ILE  15          2HG2      ILE  15  67.897  -0.980  -1.082
  116   3HG2  ILE  15          3HG2      ILE  15  66.956  -1.936   0.063
  117   1HD1  ILE  15          1HD1      ILE  15  66.095   1.252  -1.867
  118   2HD1  ILE  15          2HD1      ILE  15  65.546   1.297  -0.192
  119   3HD1  ILE  15          3HD1      ILE  15  64.477   1.841  -1.485
  120    H    TRP  16           H        TRP  16  68.995  -0.886  -3.062
  121    HA   TRP  16           HA       TRP  16  69.265  -3.538  -4.387
  122   1HB   TRP  16          1HB       TRP  16  71.044  -1.184  -3.810
  123   2HB   TRP  16          2HB       TRP  16  71.746  -2.732  -4.283
  124    HD1  TRP  16           HD1      TRP  16  71.932  -3.118  -6.797
  125    HE1  TRP  16           HE1      TRP  16  70.800  -2.133  -8.897
  126    HE3  TRP  16           HE3      TRP  16  68.562  -0.008  -4.587
  127    HZ2  TRP  16           HZ2      TRP  16  68.723  -0.259  -9.540
  128    HZ3  TRP  16           HZ3      TRP  16  67.029   1.356  -5.946
  129    HH2  TRP  16           HH2      TRP  16  67.099   1.236  -8.420
  130    H    SER  17           H        SER  17  69.171  -5.194  -2.945
  131    HA   SER  17           HA       SER  17  70.536  -4.875  -0.312
  132   1HB   SER  17          1HB       SER  17  69.027  -6.972   0.106
  133   2HB   SER  17          2HB       SER  17  68.265  -5.388   0.014
  134    HG   SER  17           HG       SER  17  67.122  -6.371  -1.472
  135    H    HIS  18           H        HIS  18  72.441  -6.019  -0.080
  136    HA   HIS  18           HA       HIS  18  72.918  -8.339  -1.925
  137   1HB   HIS  18          1HB       HIS  18  74.380  -6.447  -2.358
  138   2HB   HIS  18          2HB       HIS  18  74.778  -6.312  -0.645
  139    HD1  HIS  18           HD1      HIS  18  74.550  -9.746  -2.023
  140    HD2  HIS  18           HD2      HIS  18  77.536  -6.915  -1.353
  141    HE1  HIS  18           HE1      HIS  18  76.757 -10.970  -2.231
  142    H    SER  19           H        SER  19  73.129 -10.297  -0.899
  143    HA   SER  19           HA       SER  19  74.558 -10.730   1.537
  144   1HB   SER  19          1HB       SER  19  72.963 -10.481   3.171
  145   2HB   SER  19          2HB       SER  19  72.256  -9.370   2.001
  146    HG   SER  19           HG       SER  19  71.406 -11.835   2.854
  147    H    GLY  20           H        GLY  20  74.137 -12.982   2.400
  148   1HA   GLY  20          1HA       GLY  20  74.123 -15.277   1.844
  149   2HA   GLY  20          2HA       GLY  20  72.447 -14.924   1.423
  150    H    GLY  21           H        GLY  21  71.922 -15.477  -0.619
  151   1HA   GLY  21          1HA       GLY  21  73.534 -16.570  -2.560
  152   2HA   GLY  21          2HA       GLY  21  72.101 -15.628  -2.971
  153    H    GLN  22           H        GLN  22  72.360 -13.488  -3.693
  154    HA   GLN  22           HA       GLN  22  75.113 -12.358  -3.772
  155   1HB   GLN  22          1HB       GLN  22  75.025 -12.161  -6.194
  156   2HB   GLN  22          2HB       GLN  22  74.710 -13.843  -5.765
  157   1HG   GLN  22          1HG       GLN  22  72.323 -13.530  -6.039
  158   2HG   GLN  22          2HG       GLN  22  72.535 -11.795  -6.276
  159   1HE2  GLN  22          1HE2      GLN  22  72.448 -14.838  -7.898
  160   2HE2  GLN  22          2HE2      GLN  22  72.965 -14.291  -9.419
  161    H    GLN  23           H        GLN  23  74.683 -10.216  -5.396
  162    HA   GLN  23           HA       GLN  23  73.086  -8.446  -3.768
  163   1HB   GLN  23          1HB       GLN  23  73.773  -6.804  -5.457
  164   2HB   GLN  23          2HB       GLN  23  75.134  -7.856  -5.068
  165   1HG   GLN  23          1HG       GLN  23  74.202  -9.301  -7.068
  166   2HG   GLN  23          2HG       GLN  23  73.452  -7.779  -7.550
  167   1HE2  GLN  23          1HE2      GLN  23  74.803  -7.122  -9.274
  168   2HE2  GLN  23          2HE2      GLN  23  76.479  -6.901  -9.130
  169    H    SER  24           H        SER  24  71.146  -7.329  -4.403
  170    HA   SER  24           HA       SER  24  69.692  -7.959  -6.834
  171   1HB   SER  24          1HB       SER  24  69.677 -10.033  -5.196
  172   2HB   SER  24          2HB       SER  24  68.460  -9.095  -4.336
  173    HG   SER  24           HG       SER  24  67.095  -9.529  -5.871
  174    H    VAL  25           H        VAL  25  68.325  -6.211  -7.134
  175    HA   VAL  25           HA       VAL  25  67.885  -4.386  -4.855
  176    HB   VAL  25           HB       VAL  25  68.590  -3.384  -6.920
  177   1HG1  VAL  25          1HG1      VAL  25  66.861  -5.448  -8.035
  178   2HG1  VAL  25          2HG1      VAL  25  68.178  -4.561  -8.803
  179   3HG1  VAL  25          3HG1      VAL  25  66.554  -3.875  -8.771
  180   1HG2  VAL  25          1HG2      VAL  25  65.783  -2.724  -7.374
  181   2HG2  VAL  25          2HG2      VAL  25  67.094  -1.698  -6.791
  182   3HG2  VAL  25          3HG2      VAL  25  66.197  -2.710  -5.660
  183    H    ASP  26           H        ASP  26  66.055  -4.506  -3.652
  184    HA   ASP  26           HA       ASP  26  63.739  -6.080  -4.609
  185   1HB   ASP  26          1HB       ASP  26  65.009  -5.504  -2.156
  186   2HB   ASP  26          2HB       ASP  26  63.438  -4.707  -2.067
  187    H    CYS  27           H        CYS  27  61.705  -5.125  -5.068
  188    HA   CYS  27           HA       CYS  27  61.626  -2.127  -4.990
  189   1HB   CYS  27          1HB       CYS  27  61.980  -3.572  -7.215
  190   2HB   CYS  27          2HB       CYS  27  60.222  -3.671  -7.125
  191    H    TYR  28           H        TYR  28  59.996  -1.504  -3.649
  192    HA   TYR  28           HA       TYR  28  57.486  -3.149  -3.607
  193   1HB   TYR  28          1HB       TYR  28  57.361  -2.098  -1.215
  194   2HB   TYR  28          2HB       TYR  28  58.438  -3.464  -1.488
  195    HD1  TYR  28           HD1      TYR  28  58.197  -0.081  -0.364
  196    HD2  TYR  28           HD2      TYR  28  60.899  -2.924  -2.112
  197    HE1  TYR  28           HE1      TYR  28  60.124   1.283   0.392
  198    HE2  TYR  28           HE2      TYR  28  62.824  -1.555  -1.361
  199    HH   TYR  28           HH       TYR  28  62.427   1.642  -0.105
  200    H    ALA  29           H        ALA  29  55.917  -1.331  -2.170
  201    HA   ALA  29           HA       ALA  29  56.062   1.193  -3.754
  202   1HB   ALA  29          1HB       ALA  29  53.360   0.232  -3.657
  203   2HB   ALA  29          2HB       ALA  29  54.405  -1.046  -4.279
  204   3HB   ALA  29          3HB       ALA  29  54.369   0.528  -5.072
  205    H    ASN  30           H        ASN  30  54.571   2.851  -2.983
  206    HA   ASN  30           HA       ASN  30  53.500   4.121  -1.316
  207   1HB   ASN  30          1HB       ASN  30  53.139   1.475   0.081
  208   2HB   ASN  30          2HB       ASN  30  52.108   2.903   0.181
  209   1HD2  ASN  30          1HD2      ASN  30  50.784   0.610  -0.540
  210   2HD2  ASN  30          2HD2      ASN  30  50.429   0.601  -2.200
  211    H    ARG  31           H        ARG  31  53.397   3.815   1.399
  212    HA   ARG  31           HA       ARG  31  56.275   3.899   2.199
  213   1HB   ARG  31          1HB       ARG  31  55.591   5.675   3.723
  214   2HB   ARG  31          2HB       ARG  31  54.977   6.056   2.114
  215   1HG   ARG  31          1HG       ARG  31  52.811   4.904   2.803
  216   2HG   ARG  31          2HG       ARG  31  53.444   4.896   4.450
  217   1HD   ARG  31          1HD       ARG  31  53.820   7.441   4.115
  218   2HD   ARG  31          2HD       ARG  31  52.717   7.275   2.734
  219    HE   ARG  31           HE       ARG  31  51.619   5.929   5.025
  220   1HH1  ARG  31          1HH1      ARG  31  51.365   8.611   3.020
  221   2HH1  ARG  31          2HH1      ARG  31  50.440   9.570   4.126
  222   1HH2  ARG  31          1HH2      ARG  31  50.797   7.348   6.765
  223   2HH2  ARG  31          2HH2      ARG  31  50.118   8.855   6.247
  224    H    GLY  32           H        GLY  32  56.713   3.220   4.408
  225   1HA   GLY  32          1HA       GLY  32  55.304   2.285   6.455
  226   2HA   GLY  32          2HA       GLY  32  54.873   1.050   5.271
  227    H    ARG  33           H        ARG  33  56.162   0.143   7.475
  228    HA   ARG  33           HA       ARG  33  59.049  -0.057   6.751
  229   1HB   ARG  33          1HB       ARG  33  59.356  -0.651   9.050
  230   2HB   ARG  33          2HB       ARG  33  58.169   0.653   9.050
  231   1HG   ARG  33          1HG       ARG  33  56.390  -1.215   8.957
  232   2HG   ARG  33          2HG       ARG  33  57.698  -2.303   9.423
  233   1HD   ARG  33          1HD       ARG  33  58.059  -1.144  11.491
  234   2HD   ARG  33          2HD       ARG  33  57.037   0.215  10.981
  235    HE   ARG  33           HE       ARG  33  55.499  -2.181  10.808
  236   1HH1  ARG  33          1HH1      ARG  33  55.384   0.602  12.426
  237   2HH1  ARG  33          2HH1      ARG  33  54.951  -0.036  13.977
  238   1HH2  ARG  33          1HH2      ARG  33  55.628  -3.324  13.110
  239   2HH2  ARG  33          2HH2      ARG  33  55.089  -2.258  14.364
  240    H    ILE  34           H        ILE  34  59.913  -1.971   6.079
  241    HA   ILE  34           HA       ILE  34  58.247  -4.443   6.289
  242    HB   ILE  34           HB       ILE  34  57.902  -3.579   4.086
  243   1HG1  ILE  34          1HG1      ILE  34  59.876  -5.835   4.331
  244   2HG1  ILE  34          2HG1      ILE  34  58.192  -5.883   3.815
  245   1HG2  ILE  34          1HG2      ILE  34  59.858  -2.013   4.243
  246   2HG2  ILE  34          2HG2      ILE  34  59.705  -2.819   2.682
  247   3HG2  ILE  34          3HG2      ILE  34  60.906  -3.375   3.847
  248   1HD1  ILE  34          1HD1      ILE  34  60.632  -5.348   2.236
  249   2HD1  ILE  34          2HD1      ILE  34  59.276  -4.274   1.892
  250   3HD1  ILE  34          3HD1      ILE  34  59.083  -6.019   1.723
  251    H    ASP  35           H        ASP  35  59.483  -5.822   7.522
  252    HA   ASP  35           HA       ASP  35  62.152  -5.695   8.214
  253   1HB   ASP  35          1HB       ASP  35  60.179  -7.385   8.712
  254   2HB   ASP  35          2HB       ASP  35  60.955  -8.341   7.448
  255    H    PHE  36           H        PHE  36  64.112  -6.062   7.186
  256    HA   PHE  36           HA       PHE  36  64.009  -6.706   4.276
  257   1HB   PHE  36          1HB       PHE  36  65.355  -4.834   5.887
  258   2HB   PHE  36          2HB       PHE  36  66.597  -5.980   5.382
  259    HD1  PHE  36           HD1      PHE  36  65.385  -6.829   2.746
  260    HD2  PHE  36           HD2      PHE  36  65.896  -2.949   4.519
  261    HE1  PHE  36           HE1      PHE  36  65.426  -5.803   0.489
  262    HE2  PHE  36           HE2      PHE  36  65.937  -1.924   2.262
  263    HZ   PHE  36           HZ       PHE  36  65.701  -3.350   0.247
  264    H    GLY  37           H        GLY  37  65.602  -7.733   7.301
  265   1HA   GLY  37          1HA       GLY  37  65.698 -10.357   7.265
  266   2HA   GLY  37          2HA       GLY  37  66.723 -10.083   5.856
  267    H    GLY  38           H        GLY  38  67.408  -7.499   7.687
  268   1HA   GLY  38          1HA       GLY  38  69.011  -7.029   9.374
  269   2HA   GLY  38          2HA       GLY  38  69.142  -8.760   9.686
  270    H    TRP  39           H        TRP  39  69.386  -7.864   6.389
  271    HA   TRP  39           HA       TRP  39  72.126  -7.170   6.118
  272   1HB   TRP  39          1HB       TRP  39  71.815  -9.680   7.241
  273   2HB   TRP  39          2HB       TRP  39  72.033 -10.053   5.532
  274    HD1  TRP  39           HD1      TRP  39  73.932  -9.216   8.576
  275    HE1  TRP  39           HE1      TRP  39  76.394  -8.707   8.004
  276    HE3  TRP  39           HE3      TRP  39  73.588  -8.790   3.499
  277    HZ2  TRP  39           HZ2      TRP  39  78.005  -8.193   5.697
  278    HZ3  TRP  39           HZ3      TRP  39  75.600  -8.295   2.139
  279    HH2  TRP  39           HH2      TRP  39  77.806  -7.994   3.231
  280    H    TRP  40           H        TRP  40  70.812  -6.076   4.395
  281    HA   TRP  40           HA       TRP  40  70.917  -7.608   1.884
  282   1HB   TRP  40          1HB       TRP  40  68.438  -7.041   3.434
  283   2HB   TRP  40          2HB       TRP  40  68.338  -6.833   1.687
  284    HD1  TRP  40           HD1      TRP  40  67.780  -9.366   4.161
  285    HE1  TRP  40           HE1      TRP  40  67.970 -11.745   3.185
  286    HE3  TRP  40           HE3      TRP  40  70.125  -8.328  -0.255
  287    HZ2  TRP  40           HZ2      TRP  40  68.982 -13.035   0.842
  288    HZ3  TRP  40           HZ3      TRP  40  70.689 -10.146  -1.841
  289    HH2  TRP  40           HH2      TRP  40  70.121 -12.498  -1.297
  290    H    VAL  41           H        VAL  41  72.464  -5.567   1.898
  291    HA   VAL  41           HA       VAL  41  70.949  -3.321   0.629
  292    HB   VAL  41           HB       VAL  41  72.138  -3.304   3.172
  293   1HG1  VAL  41          1HG1      VAL  41  73.936  -1.633   2.920
  294   2HG1  VAL  41          2HG1      VAL  41  73.776  -1.723   1.165
  295   3HG1  VAL  41          3HG1      VAL  41  74.346  -3.124   2.072
  296   1HG2  VAL  41          1HG2      VAL  41  71.447  -0.976   1.350
  297   2HG2  VAL  41          2HG2      VAL  41  71.521  -0.930   3.112
  298   3HG2  VAL  41          3HG2      VAL  41  70.279  -1.887   2.305
  299    H    ASP  42           H        ASP  42  72.302  -1.953  -0.685
  300    HA   ASP  42           HA       ASP  42  75.002  -2.429  -1.432
  301   1HB   ASP  42          1HB       ASP  42  74.152  -4.624  -2.128
  302   2HB   ASP  42          2HB       ASP  42  72.866  -3.860  -3.063
  303    H    LYS  43           H        LYS  43  72.092  -0.912  -1.563
  304    HA   LYS  43           HA       LYS  43  72.732   1.524  -2.614
  305   1HB   LYS  43          1HB       LYS  43  73.543   0.599  -4.678
  306   2HB   LYS  43          2HB       LYS  43  72.135  -0.442  -4.847
  307   1HG   LYS  43          1HG       LYS  43  70.714   1.641  -4.976
  308   2HG   LYS  43          2HG       LYS  43  72.205   2.578  -5.041
  309   1HD   LYS  43          1HD       LYS  43  71.091   0.652  -7.064
  310   2HD   LYS  43          2HD       LYS  43  71.663   2.302  -7.303
  311   1HE   LYS  43          1HE       LYS  43  73.963   1.204  -6.427
  312   2HE   LYS  43          2HE       LYS  43  73.227  -0.233  -7.163
  313   1HZ   LYS  43          1HZ       LYS  43  74.474   1.125  -8.783
  314   2HZ   LYS  43          2HZ       LYS  43  73.423   2.425  -8.478
  315   3HZ   LYS  43          3HZ       LYS  43  72.829   0.994  -9.174
  316    H    ILE  44           H        ILE  44  70.755   2.789  -3.264
  317    HA   ILE  44           HA       ILE  44  68.189   1.335  -2.901
  318    HB   ILE  44           HB       ILE  44  69.280   3.541  -1.134
  319   1HG1  ILE  44          1HG1      ILE  44  68.300   1.577   0.485
  320   2HG1  ILE  44          2HG1      ILE  44  68.833   0.620  -0.896
  321   1HG2  ILE  44          1HG2      ILE  44  66.769   2.595  -0.219
  322   2HG2  ILE  44          2HG2      ILE  44  66.575   2.985  -1.928
  323   3HG2  ILE  44          3HG2      ILE  44  67.161   4.211  -0.805
  324   1HD1  ILE  44          1HD1      ILE  44  71.033   1.949  -0.750
  325   2HD1  ILE  44          2HD1      ILE  44  70.740   0.754   0.513
  326   3HD1  ILE  44          3HD1      ILE  44  70.475   2.466   0.840
  327    H    SER  45           H        SER  45  66.590   2.250  -4.154
  328    HA   SER  45           HA       SER  45  67.144   4.959  -5.327
  329   1HB   SER  45          1HB       SER  45  67.333   3.191  -6.982
  330   2HB   SER  45          2HB       SER  45  65.804   2.484  -6.469
  331    HG   SER  45           HG       SER  45  65.964   4.050  -8.388
  332    H    THR  46           H        THR  46  65.936   5.703  -3.342
  333    HA   THR  46           HA       THR  46  63.068   5.102  -3.152
  334    HB   THR  46           HB       THR  46  63.230   6.672  -1.261
  335    HG1  THR  46           HG1      THR  46  64.709   8.087  -2.380
  336   1HG2  THR  46          1HG2      THR  46  63.944   4.500  -0.665
  337   2HG2  THR  46          2HG2      THR  46  65.240   5.550  -0.092
  338   3HG2  THR  46          3HG2      THR  46  65.437   4.644  -1.592
  339    H    GLY  47           H        GLY  47  63.122   5.933  -5.616
  340   1HA   GLY  47          1HA       GLY  47  62.999   8.876  -5.776
  341   2HA   GLY  47          2HA       GLY  47  62.886   7.775  -7.140
  342    H    ASN  48           H        ASN  48  61.011   8.260  -4.121
  343    HA   ASN  48           HA       ASN  48  58.689   9.327  -5.245
  344   1HB   ASN  48          1HB       ASN  48  58.456   7.597  -6.785
  345   2HB   ASN  48          2HB       ASN  48  59.059   6.380  -5.661
  346   1HD2  ASN  48          1HD2      ASN  48  57.306   4.959  -5.396
  347   2HD2  ASN  48          2HD2      ASN  48  55.734   5.441  -4.977
  348    H    ASN  49           H        ASN  49  60.324   8.046  -2.661
  349    HA   ASN  49           HA       ASN  49  58.060   8.466  -0.817
  350   1HB   ASN  49          1HB       ASN  49  59.001   5.834  -1.756
  351   2HB   ASN  49          2HB       ASN  49  58.849   5.971  -0.008
  352   1HD2  ASN  49          1HD2      ASN  49  57.039   6.084  -3.052
  353   2HD2  ASN  49          2HD2      ASN  49  55.499   6.011  -2.343
  354    H    ASP  50           H        ASP  50  58.765   8.880   1.302
  355    HA   ASP  50           HA       ASP  50  61.628   9.384   1.661
  356   1HB   ASP  50          1HB       ASP  50  59.097   9.642   3.297
  357   2HB   ASP  50          2HB       ASP  50  60.678   9.930   4.027
  358    H    LEU  51           H        LEU  51  62.453   7.217   1.415
  359    HA   LEU  51           HA       LEU  51  61.388   5.047   3.050
  360   1HB   LEU  51          1HB       LEU  51  62.186   4.301   1.020
  361   2HB   LEU  51          2HB       LEU  51  63.499   5.478   0.991
  362    HG   LEU  51           HG       LEU  51  64.599   4.224   2.837
  363   1HD1  LEU  51          1HD1      LEU  51  62.225   3.139   3.366
  364   2HD1  LEU  51          2HD1      LEU  51  63.722   2.287   3.743
  365   3HD1  LEU  51          3HD1      LEU  51  62.824   1.887   2.278
  366   1HD2  LEU  51          1HD2      LEU  51  65.464   3.729   0.698
  367   2HD2  LEU  51          2HD2      LEU  51  64.003   2.867   0.213
  368   3HD2  LEU  51          3HD2      LEU  51  65.105   2.146   1.385
  369    H    ILE  52           H        ILE  52  62.175   4.219   4.900
  370    HA   ILE  52           HA       ILE  52  64.748   5.330   5.957
  371    HB   ILE  52           HB       ILE  52  62.358   4.377   7.545
  372   1HG1  ILE  52          1HG1      ILE  52  63.205   7.123   6.641
  373   2HG1  ILE  52          2HG1      ILE  52  61.620   6.391   6.546
  374   1HG2  ILE  52          1HG2      ILE  52  64.859   5.908   8.313
  375   2HG2  ILE  52          2HG2      ILE  52  64.641   4.173   8.536
  376   3HG2  ILE  52          3HG2      ILE  52  63.619   5.310   9.415
  377   1HD1  ILE  52          1HD1      ILE  52  61.407   6.458   8.987
  378   2HD1  ILE  52          2HD1      ILE  52  61.746   8.074   8.368
  379   3HD1  ILE  52          3HD1      ILE  52  63.031   7.131   9.123
  380    H    TYR  53           H        TYR  53  66.209   3.710   5.971
  381    HA   TYR  53           HA       TYR  53  65.167   0.944   6.524
  382   1HB   TYR  53          1HB       TYR  53  67.463   0.423   5.198
  383   2HB   TYR  53          2HB       TYR  53  65.910   0.599   4.394
  384    HD1  TYR  53           HD1      TYR  53  69.227   1.524   4.203
  385    HD2  TYR  53           HD2      TYR  53  65.308   3.255   3.998
  386    HE1  TYR  53           HE1      TYR  53  70.125   3.393   2.843
  387    HE2  TYR  53           HE2      TYR  53  66.206   5.130   2.643
  388    HH   TYR  53           HH       TYR  53  68.459   5.274   0.986
  389    H    TYR  54           H        TYR  54  65.755   0.422   8.555
  390    HA   TYR  54           HA       TYR  54  67.848   1.655  10.053
  391   1HB   TYR  54          1HB       TYR  54  66.421  -1.017  10.289
  392   2HB   TYR  54          2HB       TYR  54  67.422  -0.320  11.562
  393    HD1  TYR  54           HD1      TYR  54  64.293   0.035   9.637
  394    HD2  TYR  54           HD2      TYR  54  66.686   1.611  12.836
  395    HE1  TYR  54           HE1      TYR  54  62.371   1.401  10.400
  396    HE2  TYR  54           HE2      TYR  54  64.764   2.978  13.600
  397    HH   TYR  54           HH       TYR  54  62.018   2.633  13.270
  398    H    ASP  55           H        ASP  55  69.873   1.556   8.982
  399    HA   ASP  55           HA       ASP  55  70.884  -0.811   7.672
  400   1HB   ASP  55          1HB       ASP  55  71.503   1.835   7.764
  401   2HB   ASP  55          2HB       ASP  55  72.767   1.184   8.808
  402    H    ALA  56           H        ALA  56  73.132  -1.717   8.480
  403    HA   ALA  56           HA       ALA  56  72.942  -3.430  10.589
  404   1HB   ALA  56          1HB       ALA  56  74.979  -2.314   9.015
  405   2HB   ALA  56          2HB       ALA  56  75.130  -3.711  10.081
  406   3HB   ALA  56          3HB       ALA  56  75.528  -2.101  10.678
  407    H    ASN  57           H        ASN  57  73.462   0.038  10.900
  408    HA   ASN  57           HA       ASN  57  73.895  -0.114  13.825
  409   1HB   ASN  57          1HB       ASN  57  73.766   2.032  11.696
  410   2HB   ASN  57          2HB       ASN  57  73.812   2.456  13.408
  411   1HD2  ASN  57          1HD2      ASN  57  75.552  -0.023  11.420
  412   2HD2  ASN  57          2HD2      ASN  57  77.097   0.414  11.969
  413    H    GLY  58           H        GLY  58  71.240  -0.824  12.316
  414   1HA   GLY  58          1HA       GLY  58  68.936  -0.315  12.580
  415   2HA   GLY  58          2HA       GLY  58  69.384   0.123  14.243
  416    H    ASP  59           H        ASP  59  70.898   1.521  11.484
  417    HA   ASP  59           HA       ASP  59  70.371   4.219  12.336
  418   1HB   ASP  59          1HB       ASP  59  72.242   2.803  10.830
  419   2HB   ASP  59          2HB       ASP  59  71.425   3.820   9.643
  420    H    SER  60           H        SER  60  67.971   4.201  12.134
  421    HA   SER  60           HA       SER  60  66.439   3.544   9.906
  422   1HB   SER  60          1HB       SER  60  65.154   4.313  11.622
  423   2HB   SER  60          2HB       SER  60  66.381   5.460  12.147
  424    HG   SER  60           HG       SER  60  65.205   6.903  11.179
  425    H    VAL  61           H        VAL  61  67.897   3.962   8.093
  426    HA   VAL  61           HA       VAL  61  68.713   6.672   7.399
  427    HB   VAL  61           HB       VAL  61  68.581   4.039   5.914
  428   1HG1  VAL  61          1HG1      VAL  61  69.891   5.186   4.154
  429   2HG1  VAL  61          2HG1      VAL  61  69.730   6.706   5.031
  430   3HG1  VAL  61          3HG1      VAL  61  68.304   5.927   4.348
  431   1HG2  VAL  61          1HG2      VAL  61  70.688   3.716   6.702
  432   2HG2  VAL  61          2HG2      VAL  61  70.331   5.007   7.849
  433   3HG2  VAL  61          3HG2      VAL  61  71.158   5.376   6.336
  434    H    ARG  62           H        ARG  62  66.806   7.862   7.446
  435    HA   ARG  62           HA       ARG  62  64.558   7.061   5.763
  436   1HB   ARG  62          1HB       ARG  62  64.156   8.035   7.944
  437   2HB   ARG  62          2HB       ARG  62  65.174   9.423   7.564
  438   1HG   ARG  62          1HG       ARG  62  62.981   8.950   5.644
  439   2HG   ARG  62          2HG       ARG  62  62.455   9.395   7.268
  440   1HD   ARG  62          1HD       ARG  62  64.661  11.083   6.601
  441   2HD   ARG  62          2HD       ARG  62  63.519  11.117   5.243
  442    HE   ARG  62           HE       ARG  62  61.773  11.833   6.784
  443   1HH1  ARG  62          1HH1      ARG  62  64.900  12.674   7.597
  444   2HH1  ARG  62          2HH1      ARG  62  64.560  13.076   9.248
  445   1HH2  ARG  62          1HH2      ARG  62  61.323  11.836   9.160
  446   2HH2  ARG  62          2HH2      ARG  62  62.535  12.601  10.132
  447    H    VAL  63           H        VAL  63  65.313   7.283   3.594
  448    HA   VAL  63           HA       VAL  63  66.506   9.815   2.690
  449    HB   VAL  63           HB       VAL  63  65.540   7.246   1.396
  450   1HG1  VAL  63          1HG1      VAL  63  65.048   8.879  -0.261
  451   2HG1  VAL  63          2HG1      VAL  63  66.640   8.259  -0.698
  452   3HG1  VAL  63          3HG1      VAL  63  66.493   9.815   0.120
  453   1HG2  VAL  63          1HG2      VAL  63  68.255   8.565   1.714
  454   2HG2  VAL  63          2HG2      VAL  63  67.967   7.073   0.820
  455   3HG2  VAL  63          3HG2      VAL  63  67.687   7.126   2.560
  456    H    ASP  64           H        ASP  64  65.259  11.356   1.390
  457    HA   ASP  64           HA       ASP  64  62.354  11.102   1.881
  458   1HB   ASP  64          1HB       ASP  64  62.473  13.586   1.235
  459   2HB   ASP  64          2HB       ASP  64  63.269  13.119   2.738
  460    H    ARG  65           H        ARG  65  62.336   9.520   0.112
  461    HA   ARG  65           HA       ARG  65  62.038   8.874  -2.126
  462   1HB   ARG  65          1HB       ARG  65  60.400  10.464  -3.216
  463   2HB   ARG  65          2HB       ARG  65  59.955   9.915  -1.614
  464   1HG   ARG  65          1HG       ARG  65  59.518  12.273  -1.685
  465   2HG   ARG  65          2HG       ARG  65  60.943  12.049  -0.686
  466   1HD   ARG  65          1HD       ARG  65  62.247  12.450  -2.963
  467   2HD   ARG  65          2HD       ARG  65  60.732  13.234  -3.445
  468    HE   ARG  65           HE       ARG  65  62.291  14.009  -1.010
  469   1HH1  ARG  65          1HH1      ARG  65  59.288  14.695  -1.452
  470   2HH1  ARG  65          2HH1      ARG  65  59.431  16.331  -2.002
  471   1HH2  ARG  65          1HH2      ARG  65  62.832  16.099  -2.638
  472   2HH2  ARG  65          2HH2      ARG  65  61.438  17.126  -2.673
  473    H    TRP  66           H        TRP  66  62.141   9.795  -4.505
  474    HA   TRP  66           HA       TRP  66  63.842  10.272  -6.114
  475   1HB   TRP  66          1HB       TRP  66  62.981  12.778  -4.677
  476   2HB   TRP  66          2HB       TRP  66  64.046  12.853  -6.084
  477    HD1  TRP  66           HD1      TRP  66  63.031  12.315  -8.434
  478    HE1  TRP  66           HE1      TRP  66  60.627  11.895  -9.254
  479    HE3  TRP  66           HE3      TRP  66  60.616  11.738  -4.005
  480    HZ2  TRP  66           HZ2      TRP  66  58.033  11.404  -8.211
  481    HZ3  TRP  66           HZ3      TRP  66  58.195  11.290  -3.928
  482    HH2  TRP  66           HH2      TRP  66  56.886  11.126  -6.028
  483    H    HIS  67           H        HIS  67  65.300   9.027  -4.289
  484    HA   HIS  67           HA       HIS  67  67.792  10.618  -4.168
  485   1HB   HIS  67          1HB       HIS  67  65.977  10.127  -1.922
  486   2HB   HIS  67          2HB       HIS  67  67.620   9.574  -1.595
  487    HD1  HIS  67           HD1      HIS  67  65.732  12.432  -1.014
  488    HD2  HIS  67           HD2      HIS  67  69.467  11.879  -2.781
  489    HE1  HIS  67           HE1      HIS  67  66.923  14.663  -0.883
  490    H    ASP  68           H        ASP  68  69.512   9.249  -4.539
  491    HA   ASP  68           HA       ASP  68  69.027   6.295  -4.301
  492   1HB   ASP  68          1HB       ASP  68  70.791   6.189  -6.076
  493   2HB   ASP  68          2HB       ASP  68  69.374   7.115  -6.572
  494    H    ILE  69           H        ILE  69  69.926   5.703  -2.325
  495    HA   ILE  69           HA       ILE  69  72.691   6.679  -1.726
  496    HB   ILE  69           HB       ILE  69  70.316   6.973  -0.327
  497   1HG1  ILE  69          1HG1      ILE  69  72.185   8.423   0.021
  498   2HG1  ILE  69          2HG1      ILE  69  71.892   7.631   1.568
  499   1HG2  ILE  69          1HG2      ILE  69  71.968   4.725   0.842
  500   2HG2  ILE  69          2HG2      ILE  69  70.275   4.657   0.351
  501   3HG2  ILE  69          3HG2      ILE  69  70.752   5.623   1.749
  502   1HD1  ILE  69          1HD1      ILE  69  73.618   5.909   0.909
  503   2HD1  ILE  69          2HD1      ILE  69  74.262   7.532   1.157
  504   3HD1  ILE  69          3HD1      ILE  69  74.006   6.925  -0.479
  505    H    THR  70           H        THR  70  74.094   5.049  -0.661
  506    HA   THR  70           HA       THR  70  73.147   2.230  -0.942
  507    HB   THR  70           HB       THR  70  75.867   3.118  -1.880
  508    HG1  THR  70           HG1      THR  70  75.048   3.651  -3.793
  509   1HG2  THR  70          1HG2      THR  70  74.741   1.053  -3.429
  510   2HG2  THR  70          2HG2      THR  70  74.327   0.681  -1.755
  511   3HG2  THR  70          3HG2      THR  70  76.014   0.899  -2.219
  512    H    TYR  71           H        TYR  71  75.449   0.924  -0.263
  513    HA   TYR  71           HA       TYR  71  76.457   2.128   2.269
  514   1HB   TYR  71          1HB       TYR  71  74.864  -0.408   1.882
  515   2HB   TYR  71          2HB       TYR  71  75.832  -0.126   3.330
  516    HD1  TYR  71           HD1      TYR  71  72.652   0.312   1.871
  517    HD2  TYR  71           HD2      TYR  71  75.478   2.265   4.448
  518    HE1  TYR  71           HE1      TYR  71  70.833   1.718   2.798
  519    HE2  TYR  71           HE2      TYR  71  73.660   3.672   5.375
  520    HH   TYR  71           HH       TYR  71  71.456   4.464   4.748
  521    HA   PRO  72           HA       PRO  72  79.313  -0.754  -0.198
  522   1HB   PRO  72          1HB       PRO  72  80.849   1.111  -1.480
  523   2HB   PRO  72          2HB       PRO  72  79.381   0.413  -2.193
  524   1HG   PRO  72          1HG       PRO  72  79.773   3.049  -0.871
  525   2HG   PRO  72          2HG       PRO  72  78.786   2.627  -2.279
  526   1HD   PRO  72          1HD       PRO  72  77.770   3.010   0.231
  527   2HD   PRO  72          2HD       PRO  72  77.008   1.979  -0.999
  528    H    ASN  73           H        ASN  73  79.354   1.629   2.132
  529    HA   ASN  73           HA       ASN  73  82.068   0.813   3.049
  530   1HB   ASN  73          1HB       ASN  73  81.445   3.252   1.781
  531   2HB   ASN  73          2HB       ASN  73  81.578   3.636   3.498
  532   1HD2  ASN  73          1HD2      ASN  73  83.545   4.556   1.637
  533   2HD2  ASN  73          2HD2      ASN  73  85.007   3.755   1.958
  534    H    ARG  74           H        ARG  74  79.238   2.837   3.839
  535    HA   ARG  74           HA       ARG  74  79.479   2.901   6.647
  536   1HB   ARG  74          1HB       ARG  74  77.516   3.370   4.565
  537   2HB   ARG  74          2HB       ARG  74  76.740   2.673   5.986
  538   1HG   ARG  74          1HG       ARG  74  77.546   4.421   7.403
  539   2HG   ARG  74          2HG       ARG  74  78.671   4.994   6.171
  540   1HD   ARG  74          1HD       ARG  74  76.331   5.198   4.796
  541   2HD   ARG  74          2HD       ARG  74  75.764   5.517   6.448
  542    HE   ARG  74           HE       ARG  74  77.821   7.138   6.514
  543   1HH1  ARG  74          1HH1      ARG  74  75.112   7.321   4.646
  544   2HH1  ARG  74          2HH1      ARG  74  75.757   8.398   3.453
  545   1HH2  ARG  74          1HH2      ARG  74  79.022   8.124   4.587
  546   2HH2  ARG  74          2HH2      ARG  74  77.970   8.853   3.420
  547    HA   PRO  75           HA       PRO  75  78.262  -1.042   8.195
  548   1HB   PRO  75          1HB       PRO  75  75.958  -0.667   9.640
  549   2HB   PRO  75          2HB       PRO  75  77.554  -0.129  10.201
  550   1HG   PRO  75          1HG       PRO  75  75.379   1.436   8.894
  551   2HG   PRO  75          2HG       PRO  75  76.434   1.883  10.246
  552   1HD   PRO  75          1HD       PRO  75  76.844   2.775   7.732
  553   2HD   PRO  75          2HD       PRO  75  78.179   2.474   8.865
  554    HA   PRO  76           HA       PRO  76  75.233  -2.125   5.044
  555   1HB   PRO  76          1HB       PRO  76  76.546  -4.352   4.190
  556   2HB   PRO  76          2HB       PRO  76  76.982  -2.713   3.673
  557   1HG   PRO  76          1HG       PRO  76  78.384  -4.528   5.495
  558   2HG   PRO  76          2HG       PRO  76  78.999  -3.141   4.589
  559   1HD   PRO  76          1HD       PRO  76  78.291  -3.260   7.357
  560   2HD   PRO  76          2HD       PRO  76  78.883  -1.862   6.439
  561    H    LYS  77           H        LYS  77  73.512  -2.828   6.351
  562    HA   LYS  77           HA       LYS  77  72.990  -5.607   6.591
  563   1HB   LYS  77          1HB       LYS  77  74.915  -5.185   8.288
  564   2HB   LYS  77          2HB       LYS  77  73.680  -4.390   9.260
  565   1HG   LYS  77          1HG       LYS  77  72.420  -6.354   9.511
  566   2HG   LYS  77          2HG       LYS  77  73.209  -7.138   8.143
  567   1HD   LYS  77          1HD       LYS  77  75.086  -7.702   9.366
  568   2HD   LYS  77          2HD       LYS  77  74.925  -6.317  10.446
  569   1HE   LYS  77          1HE       LYS  77  72.624  -7.744  10.997
  570   2HE   LYS  77          2HE       LYS  77  73.821  -9.027  10.729
  571   1HZ   LYS  77          1HZ       LYS  77  73.657  -7.823  13.039
  572   2HZ   LYS  77          2HZ       LYS  77  74.623  -6.661  12.263
  573   3HZ   LYS  77          3HZ       LYS  77  75.162  -8.267  12.396
  574    H    VAL  78           H        VAL  78  71.339  -3.797   5.683
  575    HA   VAL  78           HA       VAL  78  69.749  -2.253   7.444
  576    HB   VAL  78           HB       VAL  78  68.899  -3.748   4.943
  577   1HG1  VAL  78          1HG1      VAL  78  67.498  -1.652   4.661
  578   2HG1  VAL  78          2HG1      VAL  78  67.955  -1.210   6.306
  579   3HG1  VAL  78          3HG1      VAL  78  67.023  -2.679   6.014
  580   1HG2  VAL  78          1HG2      VAL  78  69.611  -1.415   3.950
  581   2HG2  VAL  78          2HG2      VAL  78  70.831  -2.656   4.232
  582   3HG2  VAL  78          3HG2      VAL  78  70.634  -1.337   5.384
  583    H    ASN  79           H        ASN  79  68.447  -2.923   9.085
  584    HA   ASN  79           HA       ASN  79  67.723  -5.762   9.354
  585   1HB   ASN  79          1HB       ASN  79  67.046  -3.320  11.025
  586   2HB   ASN  79          2HB       ASN  79  66.914  -5.003  11.540
  587   1HD2  ASN  79          1HD2      ASN  79  69.577  -5.242   9.729
  588   2HD2  ASN  79          2HD2      ASN  79  70.779  -4.827  10.852
  589    H    SER  80           H        SER  80  66.322  -2.908   8.026
  590    HA   SER  80           HA       SER  80  64.016  -4.213   7.000
  591   1HB   SER  80          1HB       SER  80  62.377  -3.118   8.699
  592   2HB   SER  80          2HB       SER  80  63.236  -4.572   9.198
  593    HG   SER  80           HG       SER  80  63.224  -2.559  10.605
  594    H    ILE  81           H        ILE  81  62.297  -2.564   6.299
  595    HA   ILE  81           HA       ILE  81  63.601   0.066   5.681
  596    HB   ILE  81           HB       ILE  81  61.867  -1.872   4.257
  597   1HG1  ILE  81          1HG1      ILE  81  63.847   0.124   3.164
  598   2HG1  ILE  81          2HG1      ILE  81  64.354  -1.421   3.849
  599   1HG2  ILE  81          1HG2      ILE  81  60.965  -0.177   2.754
  600   2HG2  ILE  81          2HG2      ILE  81  61.749   1.090   3.691
  601   3HG2  ILE  81          3HG2      ILE  81  60.443   0.148   4.406
  602   1HD1  ILE  81          1HD1      ILE  81  62.888  -2.603   2.236
  603   2HD1  ILE  81          2HD1      ILE  81  64.100  -1.620   1.415
  604   3HD1  ILE  81          3HD1      ILE  81  62.434  -1.051   1.531
  605    H    GLU  82           H        GLU  82  61.823   1.724   5.231
  606    HA   GLU  82           HA       GLU  82  59.317   1.515   6.560
  607   1HB   GLU  82          1HB       GLU  82  61.051   1.443   8.452
  608   2HB   GLU  82          2HB       GLU  82  61.377   3.132   8.070
  609   1HG   GLU  82          1HG       GLU  82  59.342   3.854   8.860
  610   2HG   GLU  82          2HG       GLU  82  58.524   2.353   8.425
  611    H    ILE  83           H        ILE  83  59.121   2.506   4.351
  612    HA   ILE  83           HA       ILE  83  60.043   5.227   3.898
  613    HB   ILE  83           HB       ILE  83  58.236   3.216   2.583
  614   1HG1  ILE  83          1HG1      ILE  83  60.470   4.965   1.510
  615   2HG1  ILE  83          2HG1      ILE  83  60.699   3.328   2.128
  616   1HG2  ILE  83          1HG2      ILE  83  58.403   6.101   1.670
  617   2HG2  ILE  83          2HG2      ILE  83  57.044   5.454   2.579
  618   3HG2  ILE  83          3HG2      ILE  83  57.413   4.817   0.979
  619   1HD1  ILE  83          1HD1      ILE  83  60.471   3.018  -0.200
  620   2HD1  ILE  83          2HD1      ILE  83  59.187   4.220  -0.324
  621   3HD1  ILE  83          3HD1      ILE  83  58.862   2.658   0.426
  622    H    LEU  84           H        LEU  84  58.731   7.132   4.095
  623    HA   LEU  84           HA       LEU  84  56.033   6.701   5.195
  624   1HB   LEU  84          1HB       LEU  84  56.818   8.717   6.791
  625   2HB   LEU  84          2HB       LEU  84  56.975   7.027   7.240
  626    HG   LEU  84           HG       LEU  84  59.023   8.484   7.611
  627   1HD1  LEU  84          1HD1      LEU  84  60.096   6.481   5.815
  628   2HD1  LEU  84          2HD1      LEU  84  58.773   5.824   6.778
  629   3HD1  LEU  84          3HD1      LEU  84  60.162   6.557   7.576
  630   1HD2  LEU  84          1HD2      LEU  84  60.362   8.478   5.290
  631   2HD2  LEU  84          2HD2      LEU  84  59.370   9.841   5.802
  632   3HD2  LEU  84          3HD2      LEU  84  58.728   8.668   4.659