*HEADER    METAL BINDING PROTEIN                   17-MAY-01   1J7O              
*TITLE     SOLUTION STRUCTURE OF CALCIUM-CALMODULIN N-TERMINAL DOMAIN            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALMODULIN;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN;                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: AR58                                       
*KEYWDS    EF HANDS, CALCIUM BINDING, HELIX BUNDLE, MINI BETA STRAND             
*EXPDTA    NMR, 3 STRUCTURES                                                     
*AUTHOR    J.J.CHOU, C.B.KLEE, A.BAX                                             
*REVDAT   2   31-MAR-09 1J7O    1       REMOVE NON ASCII CHARACTERS  
*REVDAT   1   07-NOV-01 1J7O    0                                                

!Dipolar couplings measured in ~18mg/ml Pf1 at 10mM KCl, pH 7.0
!No buffer was used. The quadrapolar splitting of the liquid crystal
!is 18.3 Hz
! NH Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     4 and name    N and segid AN1)
       ( resid     4 and name   HN and segid AN1) -8.3420  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     5 and name    N and segid AN1)
       ( resid     5 and name   HN and segid AN1) -1.9190  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     6 and name    N and segid AN1)
       ( resid     6 and name   HN and segid AN1) 14.7200  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     7 and name    N and segid AN1)
       ( resid     7 and name   HN and segid AN1) 11.1630  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     8 and name    N and segid AN1)
       ( resid     8 and name   HN and segid AN1) 14.6630  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     9 and name    N and segid AN1)
       ( resid     9 and name   HN and segid AN1) 18.5660  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    10 and name    N and segid AN1)
       ( resid    10 and name   HN and segid AN1) 15.2060  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    11 and name    N and segid AN1)
       ( resid    11 and name   HN and segid AN1) 14.3640  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    12 and name    N and segid AN1)
       ( resid    12 and name   HN and segid AN1) 20.1750  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    13 and name    N and segid AN1)
       ( resid    13 and name   HN and segid AN1) 13.7480  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    14 and name    N and segid AN1)
       ( resid    14 and name   HN and segid AN1)  6.5490  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    15 and name    N and segid AN1)
       ( resid    15 and name   HN and segid AN1) 17.2930  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    16 and name    N and segid AN1)
       ( resid    16 and name   HN and segid AN1) 18.2210  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    17 and name    N and segid AN1)
       ( resid    17 and name   HN and segid AN1)  9.5650  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    18 and name    N and segid AN1)
       ( resid    18 and name   HN and segid AN1) 10.1480  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    19 and name    N and segid AN1)
       ( resid    19 and name   HN and segid AN1) 19.6000  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    20 and name    N and segid AN1)
       ( resid    20 and name   HN and segid AN1)  8.3270  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    21 and name    N and segid AN1)
       ( resid    21 and name   HN and segid AN1) -7.6820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    22 and name    N and segid AN1)
       ( resid    22 and name   HN and segid AN1) -1.2640  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    23 and name    N and segid AN1)
       ( resid    23 and name   HN and segid AN1) -18.5060  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    24 and name    N and segid AN1)
       ( resid    24 and name   HN and segid AN1) -1.1270  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    25 and name    N and segid AN1)
       ( resid    25 and name   HN and segid AN1)  0.0530  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    26 and name    N and segid AN1)
       ( resid    26 and name   HN and segid AN1) 15.5030  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    27 and name    N and segid AN1)
       ( resid    27 and name   HN and segid AN1) 17.2710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    28 and name    N and segid AN1)
       ( resid    28 and name   HN and segid AN1)  5.9240  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    29 and name    N and segid AN1)
       ( resid    29 and name   HN and segid AN1) -8.7610  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    31 and name    N and segid AN1)
       ( resid    31 and name   HN and segid AN1) -3.6940  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    32 and name    N and segid AN1)
       ( resid    32 and name   HN and segid AN1) -9.6310  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    33 and name    N and segid AN1)
       ( resid    33 and name   HN and segid AN1) -13.9480  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    34 and name    N and segid AN1)
       ( resid    34 and name   HN and segid AN1) -12.2980  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    35 and name    N and segid AN1)
       ( resid    35 and name   HN and segid AN1) -6.8760  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    36 and name    N and segid AN1)
       ( resid    36 and name   HN and segid AN1) -10.8950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    37 and name    N and segid AN1)
       ( resid    37 and name   HN and segid AN1) -17.6970  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    38 and name    N and segid AN1)
       ( resid    38 and name   HN and segid AN1) -7.3340  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    41 and name    N and segid AN1)
       ( resid    41 and name   HN and segid AN1) -10.9010  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    44 and name    N and segid AN1)
       ( resid    44 and name   HN and segid AN1)  2.9320  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    45 and name    N and segid AN1)
       ( resid    45 and name   HN and segid AN1) 16.2800  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    46 and name    N and segid AN1)
       ( resid    46 and name   HN and segid AN1) 11.3100  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    47 and name    N and segid AN1)
       ( resid    47 and name   HN and segid AN1) 18.5160  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    48 and name    N and segid AN1)
       ( resid    48 and name   HN and segid AN1) 21.0200  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    49 and name    N and segid AN1)
       ( resid    49 and name   HN and segid AN1) 13.7660  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    50 and name    N and segid AN1)
       ( resid    50 and name   HN and segid AN1) 12.2270  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    51 and name    N and segid AN1)
       ( resid    51 and name   HN and segid AN1) 19.4250  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    52 and name    N and segid AN1)
       ( resid    52 and name   HN and segid AN1) 18.6360  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    53 and name    N and segid AN1)
       ( resid    53 and name   HN and segid AN1) 14.5340  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    54 and name    N and segid AN1)
       ( resid    54 and name   HN and segid AN1) 14.1000  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    55 and name    N and segid AN1)
       ( resid    55 and name   HN and segid AN1) 21.4370  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    56 and name    N and segid AN1)
       ( resid    56 and name   HN and segid AN1)  1.7330  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    57 and name    N and segid AN1)
       ( resid    57 and name   HN and segid AN1) -5.0470  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    58 and name    N and segid AN1)
       ( resid    58 and name   HN and segid AN1)  6.0630  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    59 and name    N and segid AN1)
       ( resid    59 and name   HN and segid AN1) -14.1860  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    60 and name    N and segid AN1)
       ( resid    60 and name   HN and segid AN1)  2.9730  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    61 and name    N and segid AN1)
       ( resid    61 and name   HN and segid AN1)  9.9850  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    62 and name    N and segid AN1)
       ( resid    62 and name   HN and segid AN1) 12.3960  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    63 and name    N and segid AN1)
       ( resid    63 and name   HN and segid AN1) 17.8180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    64 and name    N and segid AN1)
       ( resid    64 and name   HN and segid AN1)  5.9380  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    65 and name    N and segid AN1)
       ( resid    65 and name   HN and segid AN1) -14.9820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    67 and name    N and segid AN1)
       ( resid    67 and name   HN and segid AN1) -9.6140  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    68 and name    N and segid AN1)
       ( resid    68 and name   HN and segid AN1) -16.2530  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    69 and name    N and segid AN1)
       ( resid    69 and name   HN and segid AN1) -21.1440  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    70 and name    N and segid AN1)
       ( resid    70 and name   HN and segid AN1) -16.9480  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    71 and name    N and segid AN1)
       ( resid    71 and name   HN and segid AN1) -17.2570  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    72 and name    N and segid AN1)
       ( resid    72 and name   HN and segid AN1) -18.7580  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    73 and name    N and segid AN1)
       ( resid    73 and name   HN and segid AN1) -17.4170  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    74 and name    N and segid AN1)
       ( resid    74 and name   HN and segid AN1) -10.9470  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    75 and name    N and segid AN1)
       ( resid    75 and name   HN and segid AN1) -10.6910  1.0000  1.0000
!
! CAHA Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     2 and name   CA and segid AN1)
       ( resid     2 and name   HA and segid AN1)  4.7690  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     3 and name   CA and segid AN1)
       ( resid     3 and name   HA and segid AN1) -8.4360  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     4 and name   CA and segid AN1)
       ( resid     4 and name   HA and segid AN1) -24.8020  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     5 and name   CA and segid AN1)
       ( resid     5 and name   HA and segid AN1) 32.0150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     6 and name   CA and segid AN1)
       ( resid     6 and name   HA and segid AN1) -14.8120  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     9 and name   CA and segid AN1)
       ( resid     9 and name   HA and segid AN1) -8.1430  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    10 and name   CA and segid AN1)
       ( resid    10 and name   HA and segid AN1) -28.0020  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    11 and name   CA and segid AN1)
       ( resid    11 and name   HA and segid AN1) 22.7090  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    12 and name   CA and segid AN1)
       ( resid    12 and name   HA and segid AN1) 16.3860  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    13 and name   CA and segid AN1)
       ( resid    13 and name   HA and segid AN1) -9.9750  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    14 and name   CA and segid AN1)
       ( resid    14 and name   HA and segid AN1) -20.3140  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    15 and name   CA and segid AN1)
       ( resid    15 and name   HA and segid AN1) 34.1150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    16 and name   CA and segid AN1)
       ( resid    16 and name   HA and segid AN1) -10.4310  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    17 and name   CA and segid AN1)
       ( resid    17 and name   HA and segid AN1) -25.0550  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    19 and name   CA and segid AN1)
       ( resid    19 and name   HA and segid AN1) 24.5880  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    21 and name   CA and segid AN1)
       ( resid    21 and name   HA and segid AN1) -11.9410  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    22 and name   CA and segid AN1)
       ( resid    22 and name   HA and segid AN1) 25.9470  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    24 and name   CA and segid AN1)
       ( resid    24 and name   HA and segid AN1) -14.0510  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    25 and name   CA and segid AN1)
       ( resid    25 and name   HA# and segid AN1) -19.9230  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    26 and name   CA and segid AN1)
       ( resid    26 and name   HA and segid AN1) 42.2150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    27 and name   CA and segid AN1)
       ( resid    27 and name   HA and segid AN1) 16.9570  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    28 and name   CA and segid AN1)
       ( resid    28 and name   HA and segid AN1) 15.3690  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    30 and name   CA and segid AN1)
       ( resid    30 and name   HA and segid AN1) -5.7370  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    31 and name   CA and segid AN1)
       ( resid    31 and name   HA and segid AN1) 29.1090  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    32 and name   CA and segid AN1)
       ( resid    32 and name   HA and segid AN1)  3.7010  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    33 and name   CA and segid AN1)
       ( resid    33 and name   HA# and segid AN1) -13.0090  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    34 and name   CA and segid AN1)
       ( resid    34 and name   HA and segid AN1) 38.8620  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    35 and name   CA and segid AN1)
       ( resid    35 and name   HA and segid AN1) -7.9740  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    36 and name   CA and segid AN1)
       ( resid    36 and name   HA and segid AN1)  8.1220  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    39 and name   CA and segid AN1)
       ( resid    39 and name   HA and segid AN1) -15.5370  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    40 and name   CA and segid AN1)
       ( resid    40 and name   HA# and segid AN1) 18.8490  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    43 and name   CA and segid AN1)
       ( resid    43 and name   HA and segid AN1) -15.3400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    44 and name   CA and segid AN1)
       ( resid    44 and name   HA and segid AN1) 36.9680  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    45 and name   CA and segid AN1)
       ( resid    45 and name   HA and segid AN1) -11.5560  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    46 and name   CA and segid AN1)
       ( resid    46 and name   HA and segid AN1) -26.2070  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    47 and name   CA and segid AN1)
       ( resid    47 and name   HA and segid AN1) 20.6810  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    48 and name   CA and segid AN1)
       ( resid    48 and name   HA and segid AN1) -2.3790  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    49 and name   CA and segid AN1)
       ( resid    49 and name   HA and segid AN1) -22.2710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    50 and name   CA and segid AN1)
       ( resid    50 and name   HA and segid AN1) -2.6130  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    51 and name   CA and segid AN1)
       ( resid    51 and name   HA and segid AN1)  5.6130  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    52 and name   CA and segid AN1)
       ( resid    52 and name   HA and segid AN1) -0.0610  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    53 and name   CA and segid AN1)
       ( resid    53 and name   HA and segid AN1) -27.6740  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    54 and name   CA and segid AN1)
       ( resid    54 and name   HA and segid AN1) -0.5740  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    55 and name   CA and segid AN1)
       ( resid    55 and name   HA and segid AN1) 33.9220  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    56 and name   CA and segid AN1)
       ( resid    56 and name   HA and segid AN1)  2.6620  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    57 and name   CA and segid AN1)
       ( resid    57 and name   HA and segid AN1) -12.3750  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    58 and name   CA and segid AN1)
       ( resid    58 and name   HA and segid AN1) 40.9050  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    59 and name   CA and segid AN1)
       ( resid    59 and name   HA# and segid AN1) -30.2710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    60 and name   CA and segid AN1)
       ( resid    60 and name   HA and segid AN1) -24.0180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    61 and name   CA and segid AN1)
       ( resid    61 and name   HA# and segid AN1) -11.2060  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    62 and name   CA and segid AN1)
       ( resid    62 and name   HA and segid AN1) -3.8220  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    63 and name   CA and segid AN1)
       ( resid    63 and name   HA and segid AN1) 38.5530  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    64 and name   CA and segid AN1)
       ( resid    64 and name   HA and segid AN1) 36.9580  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    66 and name   CA and segid AN1)
       ( resid    66 and name   HA and segid AN1) -4.4380  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    67 and name   CA and segid AN1)
       ( resid    67 and name   HA and segid AN1) 21.1010  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    68 and name   CA and segid AN1)
       ( resid    68 and name   HA and segid AN1) -7.0480  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    69 and name   CA and segid AN1)
       ( resid    69 and name   HA and segid AN1) -10.9070  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    70 and name   CA and segid AN1)
       ( resid    70 and name   HA and segid AN1) 27.7890  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    71 and name   CA and segid AN1)
       ( resid    71 and name   HA and segid AN1) -10.6340  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    72 and name   CA and segid AN1)
       ( resid    72 and name   HA and segid AN1)  5.5230  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    73 and name   CA and segid AN1)
       ( resid    73 and name   HA and segid AN1) -13.4850  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    74 and name   CA and segid AN1)
       ( resid    74 and name   HA and segid AN1) 30.1680  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    75 and name   CA and segid AN1)
       ( resid    75 and name   HA and segid AN1) -14.0050  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    76 and name   CA and segid AN1)
       ( resid    76 and name   HA and segid AN1)  9.9870  1.0000  1.0000
!
! COCA Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     3 and name    C and segid AN1)
       ( resid     3 and name   CA and segid AN1)  1.3550  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     4 and name    C and segid AN1)
       ( resid     4 and name   CA and segid AN1) -0.6330  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     5 and name    C and segid AN1)
       ( resid     5 and name   CA and segid AN1) -0.2340  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     6 and name    C and segid AN1)
       ( resid     6 and name   CA and segid AN1)  2.7970  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     7 and name    C and segid AN1)
       ( resid     7 and name   CA and segid AN1) -0.2440  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     8 and name    C and segid AN1)
       ( resid     8 and name   CA and segid AN1) -1.5140  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     9 and name    C and segid AN1)
       ( resid     9 and name   CA and segid AN1)  1.9570  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    10 and name    C and segid AN1)
       ( resid    10 and name   CA and segid AN1)  2.4080  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    11 and name    C and segid AN1)
       ( resid    11 and name   CA and segid AN1)  0.4160  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    12 and name    C and segid AN1)
       ( resid    12 and name   CA and segid AN1) -2.1430  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    13 and name    C and segid AN1)
       ( resid    13 and name   CA and segid AN1)  3.7010  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    14 and name    C and segid AN1)
       ( resid    14 and name   CA and segid AN1)  0.9390  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    15 and name    C and segid AN1)
       ( resid    15 and name   CA and segid AN1) -1.5800  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    16 and name    C and segid AN1)
       ( resid    16 and name   CA and segid AN1)  1.0700  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    17 and name    C and segid AN1)
       ( resid    17 and name   CA and segid AN1)  3.2620  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    18 and name    C and segid AN1)
       ( resid    18 and name   CA and segid AN1)  0.1970  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    19 and name    C and segid AN1)
       ( resid    19 and name   CA and segid AN1) -3.0020  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    20 and name    C and segid AN1)
       ( resid    20 and name   CA and segid AN1)  1.7830  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    21 and name    C and segid AN1)
       ( resid    21 and name   CA and segid AN1) -3.5330  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    22 and name    C and segid AN1)
       ( resid    22 and name   CA and segid AN1)  1.9430  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    23 and name    C and segid AN1)
       ( resid    23 and name   CA and segid AN1) -0.6070  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    24 and name    C and segid AN1)
       ( resid    24 and name   CA and segid AN1)  3.3090  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    25 and name    C and segid AN1)
       ( resid    25 and name   CA and segid AN1) -1.6170  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    26 and name    C and segid AN1)
       ( resid    26 and name   CA and segid AN1)  0.8400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    27 and name    C and segid AN1)
       ( resid    27 and name   CA and segid AN1) -0.5120  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    28 and name    C and segid AN1)
       ( resid    28 and name   CA and segid AN1) -2.3690  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    29 and name    C and segid AN1)
       ( resid    29 and name   CA and segid AN1)  2.7150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    30 and name    C and segid AN1)
       ( resid    30 and name   CA and segid AN1) -1.1110  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    31 and name    C and segid AN1)
       ( resid    31 and name   CA and segid AN1) -2.5980  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    32 and name    C and segid AN1)
       ( resid    32 and name   CA and segid AN1)  0.6230  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    33 and name    C and segid AN1)
       ( resid    33 and name   CA and segid AN1) -0.0470  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    34 and name    C and segid AN1)
       ( resid    34 and name   CA and segid AN1) -0.4240  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    35 and name    C and segid AN1)
       ( resid    35 and name   CA and segid AN1) -3.2210  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    36 and name    C and segid AN1)
       ( resid    36 and name   CA and segid AN1)  2.2930  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    37 and name    C and segid AN1)
       ( resid    37 and name   CA and segid AN1) -0.6820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    38 and name    C and segid AN1)
       ( resid    38 and name   CA and segid AN1) -1.5330  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    39 and name    C and segid AN1)
       ( resid    39 and name   CA and segid AN1) -1.9590  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    40 and name    C and segid AN1)
       ( resid    40 and name   CA and segid AN1) -0.5160  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    43 and name    C and segid AN1)
       ( resid    43 and name   CA and segid AN1)  0.0210  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    44 and name    C and segid AN1)
       ( resid    44 and name   CA and segid AN1) -1.5140  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    45 and name    C and segid AN1)
       ( resid    45 and name   CA and segid AN1)  3.0210  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    46 and name    C and segid AN1)
       ( resid    46 and name   CA and segid AN1)  1.5760  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    47 and name    C and segid AN1)
       ( resid    47 and name   CA and segid AN1) -1.1480  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    48 and name    C and segid AN1)
       ( resid    48 and name   CA and segid AN1) -0.0270  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    49 and name    C and segid AN1)
       ( resid    49 and name   CA and segid AN1)  2.7400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    50 and name    C and segid AN1)
       ( resid    50 and name   CA and segid AN1) -0.0020  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    51 and name    C and segid AN1)
       ( resid    51 and name   CA and segid AN1) -1.8710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    52 and name    C and segid AN1)
       ( resid    52 and name   CA and segid AN1)  1.8180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    53 and name    C and segid AN1)
       ( resid    53 and name   CA and segid AN1)  2.6930  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    54 and name    C and segid AN1)
       ( resid    54 and name   CA and segid AN1)  0.1090  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    55 and name    C and segid AN1)
       ( resid    55 and name   CA and segid AN1) -3.7320  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    56 and name    C and segid AN1)
       ( resid    56 and name   CA and segid AN1)  2.0310  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    57 and name    C and segid AN1)
       ( resid    57 and name   CA and segid AN1) -3.3090  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    58 and name    C and segid AN1)
       ( resid    58 and name   CA and segid AN1)  1.5920  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    59 and name    C and segid AN1)
       ( resid    59 and name   CA and segid AN1)  1.3670  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    60 and name    C and segid AN1)
       ( resid    60 and name   CA and segid AN1)  2.1290  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    61 and name    C and segid AN1)
       ( resid    61 and name   CA and segid AN1) -0.7340  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    62 and name    C and segid AN1)
       ( resid    62 and name   CA and segid AN1)  2.5040  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    63 and name    C and segid AN1)
       ( resid    63 and name   CA and segid AN1) -1.1720  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    64 and name    C and segid AN1)
       ( resid    64 and name   CA and segid AN1) -0.7640  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    66 and name    C and segid AN1)
       ( resid    66 and name   CA and segid AN1) -1.9140  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    67 and name    C and segid AN1)
       ( resid    67 and name   CA and segid AN1) -1.9180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    68 and name    C and segid AN1)
       ( resid    68 and name   CA and segid AN1)  0.6620  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    69 and name    C and segid AN1)
       ( resid    69 and name   CA and segid AN1) -1.3790  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    70 and name    C and segid AN1)
       ( resid    70 and name   CA and segid AN1) -0.2460  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    71 and name    C and segid AN1)
       ( resid    71 and name   CA and segid AN1) -2.6110  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    72 and name    C and segid AN1)
       ( resid    72 and name   CA and segid AN1)  1.2990  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    73 and name    C and segid AN1)
       ( resid    73 and name   CA and segid AN1) -2.6000  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    74 and name    C and segid AN1)
       ( resid    74 and name   CA and segid AN1) -0.5200  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    75 and name    C and segid AN1)
       ( resid    75 and name   CA and segid AN1) -1.7580  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    76 and name    C and segid AN1)
       ( resid    76 and name   CA and segid AN1) -0.6780  1.0000  1.0000
!
! NC' Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     3 and name    C and segid AN1)
       ( resid     4 and name    N and segid AN1)  0.2360  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     5 and name    C and segid AN1)
       ( resid     6 and name    N and segid AN1) -0.5060  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     6 and name    C and segid AN1)
       ( resid     7 and name    N and segid AN1) -1.8040  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     8 and name    C and segid AN1)
       ( resid     9 and name    N and segid AN1) -0.4860  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     9 and name    C and segid AN1)
       ( resid    10 and name    N and segid AN1) -0.3980  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    10 and name    C and segid AN1)
       ( resid    11 and name    N and segid AN1) -2.1880  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    11 and name    C and segid AN1)
       ( resid    12 and name    N and segid AN1)  0.3320  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    12 and name    C and segid AN1)
       ( resid    13 and name    N and segid AN1) -0.4200  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    14 and name    C and segid AN1)
       ( resid    15 and name    N and segid AN1) -0.8360  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    15 and name    C and segid AN1)
       ( resid    16 and name    N and segid AN1)  0.2860  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    16 and name    C and segid AN1)
       ( resid    17 and name    N and segid AN1) -0.6340  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    17 and name    C and segid AN1)
       ( resid    18 and name    N and segid AN1) -2.1640  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    18 and name    C and segid AN1)
       ( resid    19 and name    N and segid AN1)  0.5280  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    19 and name    C and segid AN1)
       ( resid    20 and name    N and segid AN1) -0.1440  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    20 and name    C and segid AN1)
       ( resid    21 and name    N and segid AN1)  2.1860  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    21 and name    C and segid AN1)
       ( resid    22 and name    N and segid AN1) -0.7820  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    22 and name    C and segid AN1)
       ( resid    23 and name    N and segid AN1)  1.2340  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    24 and name    C and segid AN1)
       ( resid    25 and name    N and segid AN1) -1.4000  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    25 and name    C and segid AN1)
       ( resid    26 and name    N and segid AN1)  1.4480  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    26 and name    C and segid AN1)
       ( resid    27 and name    N and segid AN1) -1.8220  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    27 and name    C and segid AN1)
       ( resid    28 and name    N and segid AN1)  2.2060  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    28 and name    C and segid AN1)
       ( resid    29 and name    N and segid AN1)  0.1040  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    30 and name    C and segid AN1)
       ( resid    31 and name    N and segid AN1)  1.2260  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    31 and name    C and segid AN1)
       ( resid    32 and name    N and segid AN1)  0.4140  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    32 and name    C and segid AN1)
       ( resid    33 and name    N and segid AN1)  1.5340  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    33 and name    C and segid AN1)
       ( resid    34 and name    N and segid AN1) -1.4040  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    34 and name    C and segid AN1)
       ( resid    35 and name    N and segid AN1)  2.2060  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    35 and name    C and segid AN1)
       ( resid    36 and name    N and segid AN1)  0.1740  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    36 and name    C and segid AN1)
       ( resid    37 and name    N and segid AN1)  0.9380  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    37 and name    C and segid AN1)
       ( resid    38 and name    N and segid AN1) -0.3880  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    40 and name    C and segid AN1)
       ( resid    41 and name    N and segid AN1) -0.6640  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    44 and name    C and segid AN1)
       ( resid    45 and name    N and segid AN1) -0.1700  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    45 and name    C and segid AN1)
       ( resid    46 and name    N and segid AN1) -1.1560  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    46 and name    C and segid AN1)
       ( resid    47 and name    N and segid AN1) -1.0520  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    47 and name    C and segid AN1)
       ( resid    48 and name    N and segid AN1) -0.0660  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    48 and name    C and segid AN1)
       ( resid    49 and name    N and segid AN1) -0.1640  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    49 and name    C and segid AN1)
       ( resid    50 and name    N and segid AN1) -1.9580  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    50 and name    C and segid AN1)
       ( resid    51 and name    N and segid AN1)  0.1520  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    51 and name    C and segid AN1)
       ( resid    52 and name    N and segid AN1) -0.7200  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    52 and name    C and segid AN1)
       ( resid    53 and name    N and segid AN1) -0.5760  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    54 and name    C and segid AN1)
       ( resid    55 and name    N and segid AN1) -1.1940  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    55 and name    C and segid AN1)
       ( resid    56 and name    N and segid AN1) -0.0300  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    56 and name    C and segid AN1)
       ( resid    57 and name    N and segid AN1)  1.6460  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    57 and name    C and segid AN1)
       ( resid    58 and name    N and segid AN1) -0.2260  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    58 and name    C and segid AN1)
       ( resid    59 and name    N and segid AN1) -0.1580  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    59 and name    C and segid AN1)
       ( resid    60 and name    N and segid AN1) -0.5760  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    60 and name    C and segid AN1)
       ( resid    61 and name    N and segid AN1) -2.2420  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    61 and name    C and segid AN1)
       ( resid    62 and name    N and segid AN1)  0.5320  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    62 and name    C and segid AN1)
       ( resid    63 and name    N and segid AN1) -0.7440  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    63 and name    C and segid AN1)
       ( resid    64 and name    N and segid AN1)  2.1460  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    64 and name    C and segid AN1)
       ( resid    65 and name    N and segid AN1)  0.1660  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    66 and name    C and segid AN1)
       ( resid    67 and name    N and segid AN1)  1.4100  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    67 and name    C and segid AN1)
       ( resid    68 and name    N and segid AN1)  0.6980  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    68 and name    C and segid AN1)
       ( resid    69 and name    N and segid AN1)  1.3380  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    69 and name    C and segid AN1)
       ( resid    70 and name    N and segid AN1) -0.4060  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    70 and name    C and segid AN1)
       ( resid    71 and name    N and segid AN1)  2.1820  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    71 and name    C and segid AN1)
       ( resid    72 and name    N and segid AN1) -0.2100  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    72 and name    C and segid AN1)
       ( resid    73 and name    N and segid AN1)  1.8080  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    73 and name    C and segid AN1)
       ( resid    74 and name    N and segid AN1)  0.3120  0.1200  0.1200

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    74 and name    C and segid AN1)
       ( resid    75 and name    N and segid AN1)  0.9720  0.1200  0.1200
!
! COHA Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     3 and name    C and segid AN1)
       ( resid     3 and name   HA and segid AN1) -0.2500  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     4 and name    C and segid AN1)
       ( resid     4 and name   HA and segid AN1) -1.0820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     5 and name    C and segid AN1)
       ( resid     5 and name   HA and segid AN1)  3.8900  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     6 and name    C and segid AN1)
       ( resid     6 and name   HA and segid AN1) -1.0840  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     8 and name    C and segid AN1)
       ( resid     8 and name   HA and segid AN1) -3.9820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     9 and name    C and segid AN1)
       ( resid     9 and name   HA and segid AN1) -0.4800  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    10 and name    C and segid AN1)
       ( resid    10 and name   HA and segid AN1) -2.2770  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    11 and name    C and segid AN1)
       ( resid    11 and name   HA and segid AN1) -1.1620  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    12 and name    C and segid AN1)
       ( resid    12 and name   HA and segid AN1) -4.3530  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    13 and name    C and segid AN1)
       ( resid    13 and name   HA and segid AN1)  1.0530  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    14 and name    C and segid AN1)
       ( resid    14 and name   HA and segid AN1) -2.4300  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    15 and name    C and segid AN1)
       ( resid    15 and name   HA and segid AN1) -2.6980  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    16 and name    C and segid AN1)
       ( resid    16 and name   HA and segid AN1) -1.3110  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    17 and name    C and segid AN1)
       ( resid    17 and name   HA and segid AN1) -0.8010  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    18 and name    C and segid AN1)
       ( resid    18 and name   HA and segid AN1) -1.1310  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    19 and name    C and segid AN1)
       ( resid    19 and name   HA and segid AN1) -4.8180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    20 and name    C and segid AN1)
       ( resid    20 and name   HA and segid AN1) -0.3530  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    21 and name    C and segid AN1)
       ( resid    21 and name   HA and segid AN1) -4.5840  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    22 and name    C and segid AN1)
       ( resid    22 and name   HA and segid AN1)  4.9760  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    24 and name    C and segid AN1)
       ( resid    24 and name   HA and segid AN1) -0.5710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    26 and name    C and segid AN1)
       ( resid    26 and name   HA and segid AN1)  4.1760  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    28 and name    C and segid AN1)
       ( resid    28 and name   HA and segid AN1) -1.5350  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    29 and name    C and segid AN1)
       ( resid    29 and name   HA and segid AN1)  4.3380  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    30 and name    C and segid AN1)
       ( resid    30 and name   HA and segid AN1)  0.1440  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    31 and name    C and segid AN1)
       ( resid    31 and name   HA and segid AN1)  1.1850  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    32 and name    C and segid AN1)
       ( resid    32 and name   HA and segid AN1)  2.0080  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    34 and name    C and segid AN1)
       ( resid    34 and name   HA and segid AN1)  3.3870  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    35 and name    C and segid AN1)
       ( resid    35 and name   HA and segid AN1) -2.3380  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    36 and name    C and segid AN1)
       ( resid    36 and name   HA and segid AN1)  5.6720  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    37 and name    C and segid AN1)
       ( resid    37 and name   HA and segid AN1) -1.5840  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    38 and name    C and segid AN1)
       ( resid    38 and name   HA and segid AN1)  4.2710  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    39 and name    C and segid AN1)
       ( resid    39 and name   HA and segid AN1) -0.9850  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    44 and name    C and segid AN1)
       ( resid    44 and name   HA and segid AN1)  2.5240  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    45 and name    C and segid AN1)
       ( resid    45 and name   HA and segid AN1)  0.1560  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    46 and name    C and segid AN1)
       ( resid    46 and name   HA and segid AN1) -2.6950  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    47 and name    C and segid AN1)
       ( resid    47 and name   HA and segid AN1) -1.7670  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    49 and name    C and segid AN1)
       ( resid    49 and name   HA and segid AN1) -0.3400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    51 and name    C and segid AN1)
       ( resid    51 and name   HA and segid AN1) -4.0430  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    52 and name    C and segid AN1)
       ( resid    52 and name   HA and segid AN1) -0.8240  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    53 and name    C and segid AN1)
       ( resid    53 and name   HA and segid AN1) -2.0390  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    54 and name    C and segid AN1)
       ( resid    54 and name   HA and segid AN1) -1.5880  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    55 and name    C and segid AN1)
       ( resid    55 and name   HA and segid AN1) -2.2200  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    56 and name    C and segid AN1)
       ( resid    56 and name   HA and segid AN1)  0.6700  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    57 and name    C and segid AN1)
       ( resid    57 and name   HA and segid AN1) -4.6640  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    58 and name    C and segid AN1)
       ( resid    58 and name   HA and segid AN1)  5.0150  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    60 and name    C and segid AN1)
       ( resid    60 and name   HA and segid AN1) -1.4450  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    62 and name    C and segid AN1)
       ( resid    62 and name   HA and segid AN1)  4.4180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    63 and name    C and segid AN1)
       ( resid    63 and name   HA and segid AN1)  0.2140  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    64 and name    C and segid AN1)
       ( resid    64 and name   HA and segid AN1)  1.2970  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    66 and name    C and segid AN1)
       ( resid    66 and name   HA and segid AN1)  0.0630  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    67 and name    C and segid AN1)
       ( resid    67 and name   HA and segid AN1)  1.7230  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    68 and name    C and segid AN1)
       ( resid    68 and name   HA and segid AN1)  2.6890  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    69 and name    C and segid AN1)
       ( resid    69 and name   HA and segid AN1)  0.4400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    70 and name    C and segid AN1)
       ( resid    70 and name   HA and segid AN1)  3.7720  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    71 and name    C and segid AN1)
       ( resid    71 and name   HA and segid AN1) -1.9670  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    72 and name    C and segid AN1)
       ( resid    72 and name   HA and segid AN1)  5.5050  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    73 and name    C and segid AN1)
       ( resid    73 and name   HA and segid AN1) -1.1620  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    74 and name    C and segid AN1)
       ( resid    74 and name   HA and segid AN1)  3.5180  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    75 and name    C and segid AN1)
       ( resid    75 and name   HA and segid AN1)  1.0200  1.0000  1.0000
!
! CBHB Couplings
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     9 and name   CB and segid AN1)
       ( resid     9 and name   HB and segid AN1) -0.7220  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    11 and name   CB and segid AN1)
       ( resid    11 and name  HB# and segid AN1) 36.9220  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    12 and name   CB and segid AN1)
       ( resid    12 and name  HB# and segid AN1) 11.8400  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    14 and name   CB and segid AN1)
       ( resid    14 and name  HB# and segid AN1)  9.1770  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    16 and name   CB and segid AN1)
       ( resid    16 and name  HB# and segid AN1) -3.4910  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    18 and name   CB and segid AN1)
       ( resid    18 and name  HB# and segid AN1)  39.484  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    19 and name   CB and segid AN1)
       ( resid    19 and name  HB# and segid AN1) 18.4120  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    26 and name   CB and segid AN1)
       ( resid    26 and name   HB and segid AN1) -6.9640  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    28 and name   CB and segid AN1)
       ( resid    28 and name   HB and segid AN1)  2.3510  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    31 and name   CB and segid AN1)
       ( resid    31 and name  HB# and segid AN1)  9.957  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    34 and name   CB and segid AN1)
       ( resid    34 and name   HB and segid AN1) 21.893  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    35 and name   CB and segid AN1)
       ( resid    35 and name   HB and segid AN1) -3.4990  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    36 and name   CB and segid AN1)
       ( resid    36 and name  HB# and segid AN1) -28.9790  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    45 and name   CB and segid AN1)
       ( resid    45 and name  HB# and segid AN1) -0.508  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    47 and name   CB and segid AN1)
       ( resid    47 and name  HB# and segid AN1) 36.9790  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    49 and name   CB and segid AN1)
       ( resid    49 and name  HB# and segid AN1)  3.1360  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    51 and name   CB and segid AN1)
       ( resid    51 and name  HB# and segid AN1)  7.4780  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    52 and name   CB and segid AN1)
       ( resid    52 and name   HB and segid AN1)  9.898  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    60 and name   CB and segid AN1)
       ( resid    60 and name  HB# and segid AN1)  24.813  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    62 and name   CB and segid AN1)
       ( resid    62 and name   HB and segid AN1) -14.8510  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    64 and name   CB and segid AN1)
       ( resid    64 and name  HB# and segid AN1) -12.0690  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    67 and name   CB and segid AN1)
       ( resid    67 and name  HB# and segid AN1) 14.751  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    68 and name   CB and segid AN1)
       ( resid    68 and name  HB# and segid AN1)  8.6540  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    71 and name   CB and segid AN1)
       ( resid    71 and name  HB# and segid AN1) -20.392  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    74 and name   CB and segid AN1)
       ( resid    74 and name  HB# and segid AN1)  5.4550  1.0000  1.0000

!Derived from Methyl CH3 Dipolar Couplings. Use the lower limit
assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     9 and name   CB and segid AN1)
       ( resid     9 and name  CG2 and segid AN1) -2.117  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid     9 and name   CB and segid AN1)
       ( resid     9 and name  CD1 and segid AN1)  1.800  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    26 and name   CB and segid AN1)
       ( resid    26 and name  CG2 and segid AN1)  1.008  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    29 and name   CB and segid AN1)
       ( resid    29 and name  CG2 and segid AN1)  0.105  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    35 and name   CB and segid AN1)
       ( resid    35 and name  CG1 and segid AN1)  0.438  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    52 and name   CB and segid AN1)
       ( resid    52 and name  CG2 and segid AN1) -0.820  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    52 and name   CB and segid AN1)
       ( resid    52 and name  CD1 and segid AN1) -0.356  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    62 and name   CB and segid AN1)
       ( resid    62 and name  CG2 and segid AN1)  1.555  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    63 and name   CB and segid AN1)
       ( resid    63 and name  CG2 and segid AN1)  0.533  1.0000  1.0000

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    63 and name   CB and segid AN1)
       ( resid    63 and name  CD1 and segid AN1) -0.444  1.0000  1.0000

!
! H-Bond restraints for the known secondary elements
! Helix I
assign (segid AN1 and resid 6 and name      O) (segid AN1 and resid 10 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 6 and name      O) (segid AN1 and resid 10 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 7 and name      O) (segid AN1 and resid 11 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 7 and name      O) (segid AN1 and resid 11 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 8 and name      O) (segid AN1 and resid 12 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 8 and name      O) (segid AN1 and resid 12 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 9 and name      O) (segid AN1 and resid 13 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 9 and name      O) (segid AN1 and resid 13 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 10 and name     O) (segid AN1 and resid 14 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 10 and name     O) (segid AN1 and resid 14 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 11 and name     O) (segid AN1 and resid 15 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 11 and name     O) (segid AN1 and resid 15 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 12 and name     O) (segid AN1 and resid 16 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 12 and name     O) (segid AN1 and resid 16 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 13 and name     O) (segid AN1 and resid 17 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 13 and name     O) (segid AN1 and resid 17 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 14 and name     O) (segid AN1 and resid 18 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 14 and name     O) (segid AN1 and resid 18 and name     N) 3.00 0.20 0.20
! Helix II
assign (segid AN1 and resid 29 and name     O) (segid AN1 and resid 33 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 29 and name     O) (segid AN1 and resid 33 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 30 and name     O) (segid AN1 and resid 34 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 30 and name     O) (segid AN1 and resid 34 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 31 and name     O) (segid AN1 and resid 35 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 31 and name     O) (segid AN1 and resid 35 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 32 and name     O) (segid AN1 and resid 36 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 32 and name     O) (segid AN1 and resid 36 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 33 and name     O) (segid AN1 and resid 37 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 33 and name     O) (segid AN1 and resid 37 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 34 and name     O) (segid AN1 and resid 38 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 34 and name     O) (segid AN1 and resid 38 and name     N) 3.00 0.20 0.20
! Helix III
assign (segid AN1 and resid 45 and name     O) (segid AN1 and resid 49 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 45 and name     O) (segid AN1 and resid 49 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 46 and name     O) (segid AN1 and resid 50 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 46 and name     O) (segid AN1 and resid 50 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 47 and name     O) (segid AN1 and resid 51 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 47 and name     O) (segid AN1 and resid 51 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 48 and name     O) (segid AN1 and resid 52 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 48 and name     O) (segid AN1 and resid 52 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 49 and name     O) (segid AN1 and resid 53 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 49 and name     O) (segid AN1 and resid 53 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 50 and name     O) (segid AN1 and resid 54 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 50 and name     O) (segid AN1 and resid 54 and name     N) 3.00 0.20 0.20
! Helix IV
assign (segid AN1 and resid 65 and name     O) (segid AN1 and resid 69 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 65 and name     O) (segid AN1 and resid 69 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 66 and name     O) (segid AN1 and resid 70 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 66 and name     O) (segid AN1 and resid 70 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 67 and name     O) (segid AN1 and resid 71 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 67 and name     O) (segid AN1 and resid 71 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 68 and name     O) (segid AN1 and resid 72 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 68 and name     O) (segid AN1 and resid 72 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 69 and name     O) (segid AN1 and resid 73 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 69 and name     O) (segid AN1 and resid 73 and name     N) 3.00 0.20 0.20
assign (segid AN1 and resid 70 and name     O) (segid AN1 and resid 74 and name    HN) 2.00 0.20 0.20
assign (segid AN1 and resid 70 and name     O) (segid AN1 and resid 74 and name     N) 3.00 0.20 0.20
!
assign (segid AN1 and resid 27 and name     O) (segid AN1 and resid 63 and name    HN) 2.00 0.20 0.20 
assign (segid AN1 and resid 27 and name     O) (segid AN1 and resid 63 and name     N) 3.00 0.20 0.20 
assign (segid AN1 and resid 63 and name     O) (segid AN1 and resid 27 and name    HN) 2.00 0.20 0.20 
assign (segid AN1 and resid 63 and name     O) (segid AN1 and resid 27 and name     N) 3.00 0.20 0.20 
! 
!
!Constraints to satisfy Calcium coordination by the Ca-ligating groups. Segid AN1 and CSM correspond to
!the protein and Calcium, respectively. Note that these constraints do not affect the outcome of
!backbone structure. One get the same backbone structure when refining without these constraints.
assign (segid AN1 and resid 31 and name  OE1) (segid CSM and resid 1 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid 31 and name  OE2) (segid CSM and resid 1 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid 26 and name    O) (segid CSM and resid 1 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid 24 and name  OD1) (segid CSM and resid 1 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid 22 and name  OD1) (segid CSM and resid 1 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid 20 and name  OD1) (segid CSM and resid 1 and name   CC) 2.418 0.085 0.085
!
assign (segid AN1 and resid 67 and name  OE1) (segid CSM and resid 2 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid 67 and name  OE2) (segid CSM and resid 2 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid 62 and name    O) (segid CSM and resid 2 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid 60 and name  OD1) (segid CSM and resid 2 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid 58 and name  OD1) (segid CSM and resid 2 and name   CC) 2.418 0.085 0.085
assign (segid AN1 and resid 56 and name  OD1) (segid CSM and resid 2 and name   CC) 2.418 0.085 0.085
!
!CHI1 angles determined by the 3-bond N-Cg and C'-Cg Couplings, along with CBHB dipolar couplings
assign (segid AN1 and resid 9 and name  N )
       (segid AN1 and resid 9 and name  CA)
       (segid AN1 and resid 9 and name  CB)
       (segid AN1 and resid 9 and name  CG1)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 11 and name  N )
       (segid AN1 and resid 11 and name  CA)
       (segid AN1 and resid 11 and name  CB)
       (segid AN1 and resid 11 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 12 and name  N )
       (segid AN1 and resid 12 and name  CA)
       (segid AN1 and resid 12 and name  CB)
       (segid AN1 and resid 12 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 14 and name  N )
       (segid AN1 and resid 14 and name  CA)
       (segid AN1 and resid 14 and name  CB)
       (segid AN1 and resid 14 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 16 and name  N )
       (segid AN1 and resid 16 and name  CA)
       (segid AN1 and resid 16 and name  CB)
       (segid AN1 and resid 16 and name  CG)  1.00 180.0 30.00  2

assign (segid AN1 and resid 18 and name  N )
       (segid AN1 and resid 18 and name  CA)
       (segid AN1 and resid 18 and name  CB)
       (segid AN1 and resid 18 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 19 and name  N )
       (segid AN1 and resid 19 and name  CA)
       (segid AN1 and resid 19 and name  CB)
       (segid AN1 and resid 19 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 26 and name  N )
       (segid AN1 and resid 26 and name  CA)
       (segid AN1 and resid 26 and name  CB)
       (segid AN1 and resid 26 and name  OG1)  1.00  60.0 30.00  2

assign (segid AN1 and resid 28 and name  N )
       (segid AN1 and resid 28 and name  CA)
       (segid AN1 and resid 28 and name  CB)
       (segid AN1 and resid 28 and name  OG1)  1.00  60.0 30.00  2

assign (segid AN1 and resid 29 and name  N )
       (segid AN1 and resid 29 and name  CA)
       (segid AN1 and resid 29 and name  CB)
       (segid AN1 and resid 29 and name  OG1)  1.00  60.0 30.00  2

assign (segid AN1 and resid 31 and name  N )
       (segid AN1 and resid 31 and name  CA)
       (segid AN1 and resid 31 and name  CB)
       (segid AN1 and resid 31 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 34 and name  N )
       (segid AN1 and resid 34 and name  CA)
       (segid AN1 and resid 34 and name  CB)
       (segid AN1 and resid 34 and name  OG1)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 35 and name  N )
       (segid AN1 and resid 35 and name  CA)
       (segid AN1 and resid 35 and name  CB)
       (segid AN1 and resid 35 and name  CG1)  1.00 180.0 30.00  2

assign (segid AN1 and resid 36 and name  N )
       (segid AN1 and resid 36 and name  CA)
       (segid AN1 and resid 36 and name  CB)
       (segid AN1 and resid 36 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 45 and name  N )
       (segid AN1 and resid 45 and name  CA)
       (segid AN1 and resid 45 and name  CB)
       (segid AN1 and resid 45 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 47 and name  N )
       (segid AN1 and resid 47 and name  CA)
       (segid AN1 and resid 47 and name  CB)
       (segid AN1 and resid 47 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 49 and name  N )
       (segid AN1 and resid 49 and name  CA)
       (segid AN1 and resid 49 and name  CB)
       (segid AN1 and resid 49 and name  CG)  1.00 180.0 30.00  2

assign (segid AN1 and resid 51 and name  N )
       (segid AN1 and resid 51 and name  CA)
       (segid AN1 and resid 51 and name  CB)
       (segid AN1 and resid 51 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 52 and name  N )
       (segid AN1 and resid 52 and name  CA)
       (segid AN1 and resid 52 and name  CB)
       (segid AN1 and resid 52 and name  CG1)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 60 and name  N )
       (segid AN1 and resid 60 and name  CA)
       (segid AN1 and resid 60 and name  CB)
       (segid AN1 and resid 60 and name  CG)  1.00  60.0 30.00  2

assign (segid AN1 and resid 62 and name  N )
       (segid AN1 and resid 62 and name  CA)
       (segid AN1 and resid 62 and name  CB)
       (segid AN1 and resid 62 and name  OG1)  1.00  60.0 30.00  2

assign (segid AN1 and resid 63 and name  N )
       (segid AN1 and resid 63 and name  CA)
       (segid AN1 and resid 63 and name  CB)
       (segid AN1 and resid 63 and name  CG1)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 64 and name  N )
       (segid AN1 and resid 64 and name  CA)
       (segid AN1 and resid 64 and name  CB)
       (segid AN1 and resid 64 and name  CG)  1.00  60.0 30.00  2

assign (segid AN1 and resid 65 and name  N )
       (segid AN1 and resid 65 and name  CA)
       (segid AN1 and resid 65 and name  CB)
       (segid AN1 and resid 65 and name  CG)  1.00 180.0 30.00  2

assign (segid AN1 and resid 68 and name  N )
       (segid AN1 and resid 68 and name  CA)
       (segid AN1 and resid 68 and name  CB)
       (segid AN1 and resid 68 and name  CG)  1.00 180.0 30.00  2

assign (segid AN1 and resid 71 and name  N )
       (segid AN1 and resid 71 and name  CA)
       (segid AN1 and resid 71 and name  CB)
       (segid AN1 and resid 71 and name  CG)  1.00 180.0 30.00  2

assign (segid AN1 and resid 72 and name  N )
       (segid AN1 and resid 72 and name  CA)
       (segid AN1 and resid 72 and name  CB)
       (segid AN1 and resid 72 and name  CG)  1.00 -60.0 30.00  2

assign (segid AN1 and resid 74 and name  N )
       (segid AN1 and resid 74 and name  CA)
       (segid AN1 and resid 74 and name  CB)
       (segid AN1 and resid 74 and name  CG)  1.00 -60.0 30.00  2

!CHI2 angles of LEU and ILE determined by the 3-bond Cd-Ca couplings and CH3 dipolar couplings
assign  (segid AN1 and resid  4   and name CA )
        (segid AN1 and resid  4   and name CB)
        (segid AN1 and resid  4   and name CG)
        (segid AN1 and resid  4   and name CD1) 1.00 180.00 30.00  2

assign  (segid AN1 and resid  9   and name CA )
        (segid AN1 and resid  9   and name CB)
        (segid AN1 and resid  9   and name CG1)
        (segid AN1 and resid  9   and name CD1) 1.00 180.00 30.00  2

assign  (segid AN1 and resid 27   and name CA )
        (segid AN1 and resid 27   and name CB)
        (segid AN1 and resid 27   and name CG1)
        (segid AN1 and resid 27   and name CD1) 1.00 180.00 30.00  2

assign  (segid AN1 and resid 32   and name CA )
        (segid AN1 and resid 32   and name CB)
        (segid AN1 and resid 32   and name CG)
        (segid AN1 and resid 32   and name CD1) 1.00 180.00 30.00  2

assign  (segid AN1 and resid 39   and name CA )
        (segid AN1 and resid 39   and name CB)
        (segid AN1 and resid 39   and name CG)
        (segid AN1 and resid 39   and name CD1) 1.00 180.00 30.00  2

assign  (segid AN1 and resid 48   and name CA )
        (segid AN1 and resid 48   and name CB)
        (segid AN1 and resid 48   and name CG)
        (segid AN1 and resid 48   and name CD1) 1.00 180.00 30.00  2

assign  (segid AN1 and resid 52   and name CA )
        (segid AN1 and resid 52   and name CB)
        (segid AN1 and resid 52   and name CG1)
        (segid AN1 and resid 52   and name CD1) 1.00 180.00 30.00  2

assign  (segid AN1 and resid 63   and name CA )
        (segid AN1 and resid 63   and name CB)
        (segid AN1 and resid 63   and name CG1)
        (segid AN1 and resid 63   and name CD1) 1.00 180.00 30.00  2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ALA   1           H        ALA   1  43.782  16.628  21.294
    2    HA   ALA   1           HA       ALA   1  44.566  16.608  19.241
    3   1HB   ALA   1          HB1       ALA   1  43.799  14.922  17.690
    4   2HB   ALA   1          HB2       ALA   1  42.240  14.809  18.506
    5   3HB   ALA   1          HB3       ALA   1  43.700  14.235  19.312
    6    H    ASP   2           HN       ASP   2  44.213  18.742  18.609
    7    HA   ASP   2           HA       ASP   2  41.658  19.794  17.825
    8   1HB   ASP   2          HB1       ASP   2  44.345  20.800  16.866
    9   2HB   ASP   2          HB2       ASP   2  43.746  21.109  18.496
   10    H    GLN   3           HN       GLN   3  44.449  19.486  15.622
   11    HA   GLN   3           HA       GLN   3  42.579  18.906  13.398
   12   1HB   GLN   3          HB1       GLN   3  44.791  18.995  12.067
   13   2HB   GLN   3          HB2       GLN   3  45.527  19.559  13.567
   14   1HG   GLN   3          HG1       GLN   3  43.242  20.864  12.058
   15   2HG   GLN   3          HG2       GLN   3  44.877  21.496  12.253
   16   1HE2  GLN   3          HE21      GLN   3  45.534  22.063  14.543
   17   2HE2  GLN   3          HE22      GLN   3  44.333  22.531  15.648
   18    H    LEU   4           HN       LEU   4  45.784  17.564  13.316
   19    HA   LEU   4           HA       LEU   4  44.929  14.897  14.167
   20   1HB   LEU   4          HB1       LEU   4  45.958  14.294  11.611
   21   2HB   LEU   4          HB2       LEU   4  44.932  15.697  11.332
   22    HG   LEU   4           HG       LEU   4  43.150  14.409  12.730
   23   1HD1  LEU   4          HD11      LEU   4  43.035  14.810  10.277
   24   2HD1  LEU   4          HD12      LEU   4  42.360  13.245  10.729
   25   3HD1  LEU   4          HD13      LEU   4  43.970  13.338  10.015
   26   1HD2  LEU   4          HD21      LEU   4  44.921  12.683  13.438
   27   2HD2  LEU   4          HD22      LEU   4  44.786  12.038  11.802
   28   3HD2  LEU   4          HD23      LEU   4  43.381  12.038  12.868
   29    H    THR   5           HN       THR   5  46.898  13.315  13.724
   30    HA   THR   5           HA       THR   5  49.266  14.696  14.755
   31    HB   THR   5           HB       THR   5  50.034  12.605  15.370
   32    HG1  THR   5           HG1      THR   5  50.100  10.956  14.018
   33   1HG2  THR   5          HG21      THR   5  48.214  11.204  16.040
   34   2HG2  THR   5          HG22      THR   5  47.184  11.808  14.742
   35   3HG2  THR   5          HG23      THR   5  47.610  12.860  16.092
   36    H    GLU   6           HN       GLU   6  51.023  15.319  13.534
   37    HA   GLU   6           HA       GLU   6  50.885  15.332  10.677
   38   1HB   GLU   6          HB1       GLU   6  53.395  15.555  12.371
   39   2HB   GLU   6          HB2       GLU   6  52.283  16.893  12.084
   40   1HG   GLU   6          HG1       GLU   6  53.658  15.329   9.877
   41   2HG   GLU   6          HG2       GLU   6  54.255  16.859  10.518
   42    H    GLU   7           HN       GLU   7  52.268  13.031  12.957
   43    HA   GLU   7           HA       GLU   7  53.729  11.539  10.936
   44   1HB   GLU   7          HB1       GLU   7  53.851   9.779  12.708
   45   2HB   GLU   7          HB2       GLU   7  52.774  10.755  13.707
   46   1HG   GLU   7          HG1       GLU   7  54.402  12.592  13.695
   47   2HG   GLU   7          HG2       GLU   7  55.466  11.662  12.639
   48    H    GLN   8           HN       GLN   8  50.710  10.752  12.758
   49    HA   GLN   8           HA       GLN   8  50.001   8.464  11.326
   50   1HB   GLN   8          HB1       GLN   8  48.018  10.602  12.161
   51   2HB   GLN   8          HB2       GLN   8  48.731   9.440  13.280
   52   1HG   GLN   8          HG1       GLN   8  47.205   8.649  10.782
   53   2HG   GLN   8          HG2       GLN   8  46.471   8.763  12.381
   54   1HE2  GLN   8          HE21      GLN   8  47.719   6.514  10.310
   55   2HE2  GLN   8          HE22      GLN   8  48.304   5.378  11.427
   56    H    ILE   9           HN       ILE   9  49.356  11.856  10.423
   57    HA   ILE   9           HA       ILE   9  47.913  11.279   8.033
   58    HB   ILE   9           HB       ILE   9  49.678  13.639   8.754
   59   1HG1  ILE   9          HG11      ILE   9  47.603  13.165  10.135
   60   2HG1  ILE   9          HG12      ILE   9  46.657  13.392   8.665
   61   1HG2  ILE   9          HG21      ILE   9  48.304  14.764   6.911
   62   2HG2  ILE   9          HG22      ILE   9  47.838  13.142   6.402
   63   3HG2  ILE   9          HG23      ILE   9  49.533  13.624   6.366
   64   1HD1  ILE   9          HD11      ILE   9  47.849  15.666   8.457
   65   2HD1  ILE   9          HD12      ILE   9  48.360  15.418  10.126
   66   3HD1  ILE   9          HD13      ILE   9  46.644  15.516   9.735
   67    H    ALA  10           HN       ALA  10  51.379  11.950   8.562
   68    HA   ALA  10           HA       ALA  10  52.279  11.685   5.916
   69   1HB   ALA  10          HB1       ALA  10  53.689  10.740   8.431
   70   2HB   ALA  10          HB2       ALA  10  53.729  12.385   7.795
   71   3HB   ALA  10          HB3       ALA  10  54.461  11.068   6.879
   72    H    GLU  11           HN       GLU  11  52.231   9.110   8.380
   73    HA   GLU  11           HA       GLU  11  52.937   6.897   6.803
   74   1HB   GLU  11          HB1       GLU  11  51.391   5.577   8.308
   75   2HB   GLU  11          HB2       GLU  11  50.883   7.111   9.018
   76   1HG   GLU  11          HG1       GLU  11  53.187   7.593   9.690
   77   2HG   GLU  11          HG2       GLU  11  53.746   6.113   8.908
   78    H    PHE  12           HN       PHE  12  49.674   8.305   7.151
   79    HA   PHE  12           HA       PHE  12  48.478   6.462   5.263
   80   1HB   PHE  12          HB1       PHE  12  46.726   8.391   5.123
   81   2HB   PHE  12          HB2       PHE  12  47.681   9.156   6.386
   82    HD1  PHE  12           HD1      PHE  12  48.435   6.211   7.593
   83    HD2  PHE  12           HD2      PHE  12  44.795   8.309   6.649
   84    HE1  PHE  12           HE1      PHE  12  47.229   4.888   9.286
   85    HE2  PHE  12           HE2      PHE  12  43.598   6.975   8.358
   86    HZ   PHE  12           HZ       PHE  12  44.812   5.265   9.673
   87    H    LYS  13           HN       LYS  13  50.054   9.626   4.963
   88    HA   LYS  13           HA       LYS  13  49.386  10.091   2.230
   89   1HB   LYS  13          HB1       LYS  13  52.003  10.832   3.575
   90   2HB   LYS  13          HB2       LYS  13  50.507  11.739   3.795
   91   1HG   LYS  13          HG1       LYS  13  50.391  12.167   1.382
   92   2HG   LYS  13          HG2       LYS  13  51.842  11.199   1.123
   93   1HD   LYS  13          HD1       LYS  13  53.181  12.765   2.402
   94   2HD   LYS  13          HD2       LYS  13  51.744  13.668   2.882
   95   1HE   LYS  13          HE1       LYS  13  51.333  14.319   0.567
   96   2HE   LYS  13          HE2       LYS  13  52.676  13.317   0.016
   97   1HZ   LYS  13          HZ1       LYS  13  52.835  15.938   0.693
   98   2HZ   LYS  13          HZ2       LYS  13  54.149  14.866   0.579
   99   3HZ   LYS  13          HZ3       LYS  13  53.417  15.161   2.084
  100    H    GLU  14           HN       GLU  14  52.195   8.392   3.676
  101    HA   GLU  14           HA       GLU  14  53.414   7.669   1.187
  102   1HB   GLU  14          HB1       GLU  14  54.436   5.786   2.533
  103   2HB   GLU  14          HB2       GLU  14  53.450   6.298   3.894
  104   1HG   GLU  14          HG1       GLU  14  55.294   8.213   2.441
  105   2HG   GLU  14          HG2       GLU  14  55.859   7.211   3.775
  106    H    ALA  15           HN       ALA  15  50.878   6.168   3.143
  107    HA   ALA  15           HA       ALA  15  50.636   3.788   1.517
  108   1HB   ALA  15          HB1       ALA  15  48.409   3.563   2.613
  109   2HB   ALA  15          HB2       ALA  15  48.604   5.175   3.300
  110   3HB   ALA  15          HB3       ALA  15  49.687   3.871   3.788
  111    H    PHE  16           HN       PHE  16  49.190   7.016   1.360
  112    HA   PHE  16           HA       PHE  16  47.270   6.447  -0.666
  113   1HB   PHE  16          HB1       PHE  16  48.819   8.990  -0.099
  114   2HB   PHE  16          HB2       PHE  16  47.253   8.542   0.583
  115    HD1  PHE  16           HD1      PHE  16  48.974  10.038  -2.216
  116    HD2  PHE  16           HD2      PHE  16  45.280   8.212  -1.005
  117    HE1  PHE  16           HE1      PHE  16  47.841  11.025  -4.186
  118    HE2  PHE  16           HE2      PHE  16  44.147   9.199  -2.979
  119    HZ   PHE  16           HZ       PHE  16  45.427  10.605  -4.569
  120    H    SER  17           HN       SER  17  50.654   7.521  -0.847
  121    HA   SER  17           HA       SER  17  50.812   7.707  -3.687
  122   1HB   SER  17          HB1       SER  17  53.044   6.996  -1.762
  123   2HB   SER  17          HB2       SER  17  52.493   8.638  -2.082
  124    HG   SER  17           HG       SER  17  52.843   7.843  -4.418
  125    H    LEU  18           HN       LEU  18  51.506   4.976  -1.496
  126    HA   LEU  18           HA       LEU  18  52.533   3.192  -3.442
  127   1HB   LEU  18          HB1       LEU  18  51.633   1.376  -1.935
  128   2HB   LEU  18          HB2       LEU  18  50.860   2.641  -0.977
  129    HG   LEU  18           HG       LEU  18  53.103   3.690  -0.630
  130   1HD1  LEU  18          HD11      LEU  18  52.033   2.002   0.946
  131   2HD1  LEU  18          HD12      LEU  18  53.783   2.157   1.084
  132   3HD1  LEU  18          HD13      LEU  18  53.085   0.786   0.224
  133   1HD2  LEU  18          HD21      LEU  18  55.028   1.890  -1.069
  134   2HD2  LEU  18          HD22      LEU  18  54.541   3.011  -2.334
  135   3HD2  LEU  18          HD23      LEU  18  53.930   1.357  -2.344
  136    H    PHE  19           HN       PHE  19  49.187   3.985  -2.604
  137    HA   PHE  19           HA       PHE  19  48.099   2.010  -4.467
  138   1HB   PHE  19          HB1       PHE  19  45.971   2.762  -3.766
  139   2HB   PHE  19          HB2       PHE  19  46.585   4.345  -3.291
  140    HD1  PHE  19           HD1      PHE  19  48.049   0.965  -2.495
  141    HD2  PHE  19           HD2      PHE  19  46.075   4.479  -0.997
  142    HE1  PHE  19           HE1      PHE  19  48.416   0.184  -0.185
  143    HE2  PHE  19           HE2      PHE  19  46.458   3.689   1.319
  144    HZ   PHE  19           HZ       PHE  19  47.620   1.543   1.726
  145    H    ASP  20           HN       ASP  20  48.962   5.409  -4.565
  146    HA   ASP  20           HA       ASP  20  47.595   5.865  -7.116
  147   1HB   ASP  20          HB1       ASP  20  49.781   7.513  -5.803
  148   2HB   ASP  20          HB2       ASP  20  48.062   7.694  -5.448
  149    H    LYS  21           HN       LYS  21  48.582   3.954  -8.171
  150    HA   LYS  21           HA       LYS  21  51.413   3.752  -8.606
  151   1HB   LYS  21          HB1       LYS  21  49.794   1.867  -8.858
  152   2HB   LYS  21          HB2       LYS  21  50.844   2.066 -10.260
  153   1HG   LYS  21          HG1       LYS  21  49.102   3.165 -11.504
  154   2HG   LYS  21          HG2       LYS  21  48.081   3.295 -10.071
  155   1HD   LYS  21          HD1       LYS  21  47.703   0.936 -10.017
  156   2HD   LYS  21          HD2       LYS  21  48.996   0.631 -11.177
  157   1HE   LYS  21          HE1       LYS  21  47.739   1.555 -12.974
  158   2HE   LYS  21          HE2       LYS  21  46.581   2.310 -11.878
  159   1HZ   LYS  21          HZ1       LYS  21  46.721  -0.422 -12.826
  160   2HZ   LYS  21          HZ2       LYS  21  45.377   0.493 -12.332
  161   3HZ   LYS  21          HZ3       LYS  21  46.371  -0.256 -11.175
  162    H    ASP  22           HN       ASP  22  48.858   5.495 -10.326
  163    HA   ASP  22           HA       ASP  22  50.625   6.034 -12.612
  164   1HB   ASP  22          HB1       ASP  22  48.224   5.807 -13.018
  165   2HB   ASP  22          HB2       ASP  22  48.740   7.447 -13.410
  166    H    GLY  23           HN       GLY  23  50.001   7.404  -9.531
  167   1HA   GLY  23          HA1       GLY  23  51.997   9.446  -9.920
  168   2HA   GLY  23          HA2       GLY  23  50.990   9.255  -8.487
  169    H    ASP  24           HN       ASP  24  48.557   9.389 -10.417
  170    HA   ASP  24           HA       ASP  24  48.708  12.205 -11.288
  171   1HB   ASP  24          HB1       ASP  24  47.545  10.547 -12.720
  172   2HB   ASP  24          HB2       ASP  24  46.438  11.814 -12.190
  173    H    GLY  25           HN       GLY  25  48.232  10.822  -8.360
  174   1HA   GLY  25          HA1       GLY  25  47.087  13.234  -7.276
  175   2HA   GLY  25          HA2       GLY  25  47.442  11.766  -6.367
  176    H    THR  26           HN       THR  26  45.713  10.127  -8.231
  177    HA   THR  26           HA       THR  26  43.139  10.822  -6.930
  178    HB   THR  26           HB       THR  26  42.003  10.439  -9.197
  179    HG1  THR  26           HG1      THR  26  44.347   9.815  -9.923
  180   1HG2  THR  26          HG21      THR  26  42.245  12.660  -8.090
  181   2HG2  THR  26          HG22      THR  26  42.299  12.771  -9.849
  182   3HG2  THR  26          HG23      THR  26  43.790  12.871  -8.913
  183    H    ILE  27           HN       ILE  27  42.829   8.784  -5.870
  184    HA   ILE  27           HA       ILE  27  43.730   6.321  -7.164
  185    HB   ILE  27           HB       ILE  27  42.151   6.791  -4.619
  186   1HG1  ILE  27          HG11      ILE  27  44.530   7.634  -4.715
  187   2HG1  ILE  27          HG12      ILE  27  45.044   5.975  -5.022
  188   1HG2  ILE  27          HG21      ILE  27  41.646   4.571  -5.403
  189   2HG2  ILE  27          HG22      ILE  27  42.866   4.399  -4.143
  190   3HG2  ILE  27          HG23      ILE  27  43.330   4.281  -5.839
  191   1HD1  ILE  27          HD11      ILE  27  45.236   6.458  -2.633
  192   2HD1  ILE  27          HD12      ILE  27  43.947   5.282  -2.890
  193   3HD1  ILE  27          HD13      ILE  27  43.549   6.971  -2.576
  194    H    THR  28           HN       THR  28  42.502   5.351  -8.713
  195    HA   THR  28           HA       THR  28  39.602   5.934  -8.893
  196    HB   THR  28           HB       THR  28  39.789   4.679 -11.047
  197    HG1  THR  28           HG1      THR  28  42.566   4.687 -10.677
  198   1HG2  THR  28          HG21      THR  28  40.104   7.003 -11.295
  199   2HG2  THR  28          HG22      THR  28  41.518   6.305 -12.083
  200   3HG2  THR  28          HG23      THR  28  41.656   6.975 -10.458
  201    H    THR  29           HN       THR  29  38.306   3.829  -9.630
  202    HA   THR  29           HA       THR  29  38.286   2.006  -7.399
  203    HB   THR  29           HB       THR  29  36.409   1.085  -8.414
  204    HG1  THR  29           HG1      THR  29  36.270   0.774 -10.634
  205   1HG2  THR  29          HG21      THR  29  35.146   2.817  -9.361
  206   2HG2  THR  29          HG22      THR  29  36.528   3.479 -10.232
  207   3HG2  THR  29          HG23      THR  29  36.396   3.705  -8.489
  208    H    LYS  30           HN       LYS  30  39.683   1.886 -10.654
  209    HA   LYS  30           HA       LYS  30  40.375  -0.877 -10.632
  210   1HB   LYS  30          HB1       LYS  30  41.900   1.374 -11.979
  211   2HB   LYS  30          HB2       LYS  30  40.452   0.621 -12.648
  212   1HG   LYS  30          HG1       LYS  30  41.586  -1.560 -12.680
  213   2HG   LYS  30          HG2       LYS  30  43.025  -0.836 -11.961
  214   1HD   LYS  30          HD1       LYS  30  43.329   0.592 -13.913
  215   2HD   LYS  30          HD2       LYS  30  41.817   0.010 -14.613
  216   1HE   LYS  30          HE1       LYS  30  43.862  -1.104 -15.562
  217   2HE   LYS  30          HE2       LYS  30  42.722  -2.232 -14.830
  218   1HZ   LYS  30          HZ1       LYS  30  45.201  -1.160 -13.599
  219   2HZ   LYS  30          HZ2       LYS  30  44.917  -2.761 -14.092
  220   3HZ   LYS  30          HZ3       LYS  30  44.061  -2.109 -12.777
  221    H    GLU  31           HN       GLU  31  42.144   1.988  -9.469
  222    HA   GLU  31           HA       GLU  31  44.488   0.465  -8.735
  223   1HB   GLU  31          HB1       GLU  31  45.010   2.535  -7.337
  224   2HB   GLU  31          HB2       GLU  31  43.483   3.205  -7.918
  225   1HG   GLU  31          HG1       GLU  31  44.259   2.964 -10.245
  226   2HG   GLU  31          HG2       GLU  31  45.781   2.279  -9.671
  227    H    LEU  32           HN       LEU  32  41.584   1.563  -7.027
  228    HA   LEU  32           HA       LEU  32  42.398   0.711  -4.431
  229   1HB   LEU  32          HB1       LEU  32  39.492   0.593  -5.209
  230   2HB   LEU  32          HB2       LEU  32  40.310   2.149  -5.312
  231    HG   LEU  32           HG       LEU  32  40.922   2.061  -2.971
  232   1HD1  LEU  32          HD11      LEU  32  38.582   2.765  -3.639
  233   2HD1  LEU  32          HD12      LEU  32  38.735   2.208  -1.973
  234   3HD1  LEU  32          HD13      LEU  32  38.042   1.145  -3.198
  235   1HD2  LEU  32          HD21      LEU  32  39.940   0.062  -1.619
  236   2HD2  LEU  32          HD22      LEU  32  41.419  -0.206  -2.537
  237   3HD2  LEU  32          HD23      LEU  32  39.873  -0.766  -3.175
  238    H    GLY  33           HN       GLY  33  40.820  -0.971  -7.111
  239   1HA   GLY  33          HA1       GLY  33  40.313  -3.239  -7.412
  240   2HA   GLY  33          HA2       GLY  33  40.223  -3.396  -5.655
  241    H    THR  34           HN       THR  34  42.952  -2.335  -7.680
  242    HA   THR  34           HA       THR  34  44.440  -4.735  -7.691
  243    HB   THR  34           HB       THR  34  45.342  -1.846  -7.670
  244    HG1  THR  34           HG1      THR  34  45.629  -3.568  -9.816
  245   1HG2  THR  34          HG21      THR  34  46.917  -4.410  -7.951
  246   2HG2  THR  34          HG22      THR  34  47.241  -3.047  -6.879
  247   3HG2  THR  34          HG23      THR  34  47.488  -2.880  -8.617
  248    H    VAL  35           HN       VAL  35  44.563  -2.026  -5.371
  249    HA   VAL  35           HA       VAL  35  46.468  -3.198  -3.579
  250    HB   VAL  35           HB       VAL  35  44.257  -1.206  -3.022
  251   1HG1  VAL  35          HG11      VAL  35  46.782  -1.963  -1.524
  252   2HG1  VAL  35          HG12      VAL  35  45.121  -2.092  -0.945
  253   3HG1  VAL  35          HG13      VAL  35  45.849  -0.504  -1.188
  254   1HG2  VAL  35          HG21      VAL  35  47.170  -0.790  -3.755
  255   2HG2  VAL  35          HG22      VAL  35  45.979   0.472  -3.447
  256   3HG2  VAL  35          HG23      VAL  35  45.815  -0.567  -4.859
  257    H    MET  36           HN       MET  36  42.918  -2.882  -3.150
  258    HA   MET  36           HA       MET  36  42.667  -4.447  -0.848
  259   1HB   MET  36          HB1       MET  36  40.368  -5.103  -1.854
  260   2HB   MET  36          HB2       MET  36  40.830  -4.098  -3.223
  261   1HG   MET  36          HG1       MET  36  39.632  -2.636  -1.785
  262   2HG   MET  36          HG2       MET  36  41.327  -2.268  -1.467
  263   1HE   MET  36          HE1       MET  36  40.361  -1.766   2.060
  264   2HE   MET  36          HE2       MET  36  40.305  -1.058   0.447
  265   3HE   MET  36          HE3       MET  36  41.820  -1.716   1.061
  266    H    ARG  37           HN       ARG  37  43.056  -5.509  -4.189
  267    HA   ARG  37           HA       ARG  37  42.600  -8.312  -3.672
  268   1HB   ARG  37          HB1       ARG  37  44.243  -7.001  -5.860
  269   2HB   ARG  37          HB2       ARG  37  42.509  -7.308  -5.946
  270   1HG   ARG  37          HG1       ARG  37  42.955  -9.739  -5.645
  271   2HG   ARG  37          HG2       ARG  37  44.687  -9.401  -5.643
  272   1HD   ARG  37          HD1       ARG  37  42.776  -8.757  -7.912
  273   2HD   ARG  37          HD2       ARG  37  43.899 -10.116  -7.883
  274    HE   ARG  37           HE       ARG  37  45.238  -7.571  -7.450
  275   1HH1  ARG  37          HH11      ARG  37  46.583  -6.869  -9.123
  276   2HH1  ARG  37          HH12      ARG  37  46.448  -7.597 -10.689
  277   1HH2  ARG  37          HH21      ARG  37  43.910  -9.766  -9.754
  278   2HH2  ARG  37          HH22      ARG  37  44.935  -9.237 -11.046
  279    H    SER  38           HN       SER  38  45.458  -6.219  -3.637
  280    HA   SER  38           HA       SER  38  47.368  -8.343  -3.272
  281   1HB   SER  38          HB1       SER  38  47.916  -5.989  -3.988
  282   2HB   SER  38          HB2       SER  38  48.926  -6.590  -2.676
  283    HG   SER  38           HG       SER  38  48.145  -4.504  -2.222
  284    H    LEU  39           HN       LEU  39  45.250  -6.606  -1.096
  285    HA   LEU  39           HA       LEU  39  46.637  -7.566   1.316
  286   1HB   LEU  39          HB1       LEU  39  44.932  -6.361   2.539
  287   2HB   LEU  39          HB2       LEU  39  43.936  -6.214   1.092
  288    HG   LEU  39           HG       LEU  39  45.770  -4.887   0.024
  289   1HD1  LEU  39          HD11      LEU  39  45.445  -2.856   1.508
  290   2HD1  LEU  39          HD12      LEU  39  44.606  -3.912   2.644
  291   3HD1  LEU  39          HD13      LEU  39  43.955  -3.666   1.024
  292   1HD2  LEU  39          HD21      LEU  39  47.015  -5.322   2.745
  293   2HD2  LEU  39          HD22      LEU  39  47.439  -3.914   1.772
  294   3HD2  LEU  39          HD23      LEU  39  47.746  -5.534   1.154
  295    H    GLY  40           HN       GLY  40  44.629  -9.062  -0.860
  296   1HA   GLY  40          HA1       GLY  40  43.863 -11.079   1.184
  297   2HA   GLY  40          HA2       GLY  40  43.855 -11.329  -0.561
  298    H    GLN  41           HN       GLN  41  42.457  -8.446  -0.413
  299    HA   GLN  41           HA       GLN  41  39.726  -9.419   0.335
  300   1HB   GLN  41          HB1       GLN  41  39.131  -6.985   0.196
  301   2HB   GLN  41          HB2       GLN  41  40.825  -6.633  -0.144
  302   1HG   GLN  41          HG1       GLN  41  41.480  -7.632   2.002
  303   2HG   GLN  41          HG2       GLN  41  39.798  -8.046   2.336
  304   1HE2  GLN  41          HE21      GLN  41  42.149  -5.446   2.349
  305   2HE2  GLN  41          HE22      GLN  41  41.117  -4.253   2.977
  306    H    ASN  42           HN       ASN  42  38.173  -9.658  -1.229
  307    HA   ASN  42           HA       ASN  42  38.917  -8.947  -4.054
  308   1HB   ASN  42          HB1       ASN  42  36.971 -11.089  -3.186
  309   2HB   ASN  42          HB2       ASN  42  38.688 -11.408  -3.439
  310   1HD2  ASN  42          HD21      ASN  42  36.760 -12.676  -5.095
  311   2HD2  ASN  42          HD22      ASN  42  36.871 -12.035  -6.663
  312    HA   PRO  43           HA       PRO  43  35.086  -6.574  -3.020
  313   1HB   PRO  43          HB1       PRO  43  36.383  -4.773  -2.312
  314   2HB   PRO  43          HB2       PRO  43  35.870  -4.135  -3.887
  315   1HG   PRO  43          HG1       PRO  43  38.463  -4.357  -3.222
  316   2HG   PRO  43          HG2       PRO  43  37.898  -4.637  -4.879
  317   1HD   PRO  43          HD1       PRO  43  38.886  -6.602  -2.866
  318   2HD   PRO  43          HD2       PRO  43  38.824  -6.736  -4.637
  319    H    THR  44           HN       THR  44  33.391  -6.182  -4.446
  320    HA   THR  44           HA       THR  44  33.843  -6.841  -7.281
  321    HB   THR  44           HB       THR  44  31.280  -6.085  -5.843
  322    HG1  THR  44           HG1      THR  44  31.590  -7.961  -4.968
  323   1HG2  THR  44          HG21      THR  44  31.911  -7.262  -8.551
  324   2HG2  THR  44          HG22      THR  44  30.926  -5.848  -8.177
  325   3HG2  THR  44          HG23      THR  44  30.330  -7.462  -7.795
  326    H    GLU  45           HN       GLU  45  32.815  -5.393  -8.966
  327    HA   GLU  45           HA       GLU  45  33.890  -2.761  -8.831
  328   1HB   GLU  45          HB1       GLU  45  32.045  -2.407 -10.749
  329   2HB   GLU  45          HB2       GLU  45  31.960  -4.167 -10.656
  330   1HG   GLU  45          HG1       GLU  45  33.605  -3.638 -12.323
  331   2HG   GLU  45          HG2       GLU  45  34.482  -4.205 -10.900
  332    H    ALA  46           HN       ALA  46  30.588  -3.951  -8.246
  333    HA   ALA  46           HA       ALA  46  29.397  -1.399  -7.797
  334   1HB   ALA  46          HB1       ALA  46  28.085  -3.471  -8.132
  335   2HB   ALA  46          HB2       ALA  46  27.617  -2.651  -6.642
  336   3HB   ALA  46          HB3       ALA  46  28.654  -4.076  -6.576
  337    H    GLU  47           HN       GLU  47  31.102  -3.628  -5.636
  338    HA   GLU  47           HA       GLU  47  30.535  -2.121  -3.231
  339   1HB   GLU  47          HB1       GLU  47  32.454  -3.455  -2.281
  340   2HB   GLU  47          HB2       GLU  47  32.701  -4.143  -3.888
  341   1HG   GLU  47          HG1       GLU  47  30.421  -5.046  -3.872
  342   2HG   GLU  47          HG2       GLU  47  30.119  -4.305  -2.300
  343    H    LEU  48           HN       LEU  48  33.229  -2.081  -5.569
  344    HA   LEU  48           HA       LEU  48  34.842  -0.245  -4.069
  345   1HB   LEU  48          HB1       LEU  48  35.905   0.254  -6.282
  346   2HB   LEU  48          HB2       LEU  48  34.653  -0.711  -7.060
  347    HG   LEU  48           HG       LEU  48  35.361  -2.664  -5.653
  348   1HD1  LEU  48          HD11      LEU  48  37.319  -3.173  -6.994
  349   2HD1  LEU  48          HD12      LEU  48  37.606  -1.460  -7.298
  350   3HD1  LEU  48          HD13      LEU  48  36.189  -2.252  -7.986
  351   1HD2  LEU  48          HD21      LEU  48  36.477  -1.847  -3.767
  352   2HD2  LEU  48          HD22      LEU  48  37.345  -0.612  -4.678
  353   3HD2  LEU  48          HD23      LEU  48  37.847  -2.298  -4.776
  354    H    GLN  49           HN       GLN  49  32.314   0.203  -6.522
  355    HA   GLN  49           HA       GLN  49  32.533   3.035  -6.722
  356   1HB   GLN  49          HB1       GLN  49  30.039   1.340  -7.046
  357   2HB   GLN  49          HB2       GLN  49  31.246   1.601  -8.306
  358   1HG   GLN  49          HG1       GLN  49  29.687   3.822  -6.945
  359   2HG   GLN  49          HG2       GLN  49  29.274   3.128  -8.511
  360   1HE2  GLN  49          HE21      GLN  49  32.138   2.794  -9.314
  361   2HE2  GLN  49          HE22      GLN  49  32.707   4.356  -9.654
  362    H    ASP  50           HN       ASP  50  30.466   0.998  -4.647
  363    HA   ASP  50           HA       ASP  50  29.230   3.225  -3.292
  364   1HB   ASP  50          HB1       ASP  50  28.584   1.482  -1.599
  365   2HB   ASP  50          HB2       ASP  50  29.568   0.320  -2.489
  366    H    MET  51           HN       MET  51  31.945   1.054  -2.426
  367    HA   MET  51           HA       MET  51  32.548   2.193   0.095
  368   1HB   MET  51          HB1       MET  51  34.941   1.471  -0.439
  369   2HB   MET  51          HB2       MET  51  34.355   1.017  -2.035
  370   1HG   MET  51          HG1       MET  51  32.576  -0.380  -0.751
  371   2HG   MET  51          HG2       MET  51  33.621  -0.158   0.650
  372   1HE   MET  51          HE1       MET  51  34.056  -3.810  -0.595
  373   2HE   MET  51          HE2       MET  51  32.820  -2.695  -0.019
  374   3HE   MET  51          HE3       MET  51  34.301  -2.912   0.909
  375    H    ILE  52           HN       ILE  52  33.486   3.226  -3.174
  376    HA   ILE  52           HA       ILE  52  35.089   5.444  -2.204
  377    HB   ILE  52           HB       ILE  52  33.904   4.791  -4.919
  378   1HG1  ILE  52          HG11      ILE  52  35.788   3.392  -3.955
  379   2HG1  ILE  52          HG12      ILE  52  36.780   4.847  -3.969
  380   1HG2  ILE  52          HG21      ILE  52  35.570   7.142  -3.992
  381   2HG2  ILE  52          HG22      ILE  52  34.073   7.169  -4.923
  382   3HG2  ILE  52          HG23      ILE  52  35.568   6.611  -5.674
  383   1HD1  ILE  52          HD11      ILE  52  37.281   3.758  -6.016
  384   2HD1  ILE  52          HD12      ILE  52  36.155   5.041  -6.459
  385   3HD1  ILE  52          HD13      ILE  52  35.586   3.377  -6.318
  386    H    ASN  53           HN       ASN  53  31.772   5.076  -3.394
  387    HA   ASN  53           HA       ASN  53  31.045   7.809  -3.456
  388   1HB   ASN  53          HB1       ASN  53  29.222   5.507  -2.737
  389   2HB   ASN  53          HB2       ASN  53  29.715   5.893  -4.386
  390   1HD2  ASN  53          HD21      ASN  53  29.213   8.254  -5.070
  391   2HD2  ASN  53          HD22      ASN  53  27.779   8.944  -4.478
  392    H    GLU  54           HN       GLU  54  30.854   5.520  -0.726
  393    HA   GLU  54           HA       GLU  54  29.426   7.251   1.013
  394   1HB   GLU  54          HB1       GLU  54  29.659   4.945   1.641
  395   2HB   GLU  54          HB2       GLU  54  30.465   5.906   2.880
  396   1HG   GLU  54          HG1       GLU  54  32.616   5.536   1.494
  397   2HG   GLU  54          HG2       GLU  54  31.704   4.281   0.666
  398    H    VAL  55           HN       VAL  55  32.637   7.539  -0.151
  399    HA   VAL  55           HA       VAL  55  33.243   9.571   1.984
  400    HB   VAL  55           HB       VAL  55  35.675   8.996   1.478
  401   1HG1  VAL  55          HG11      VAL  55  33.717   7.124   2.810
  402   2HG1  VAL  55          HG12      VAL  55  34.861   8.239   3.554
  403   3HG1  VAL  55          HG13      VAL  55  35.440   6.758   2.799
  404   1HG2  VAL  55          HG21      VAL  55  36.080   6.789   0.477
  405   2HG2  VAL  55          HG22      VAL  55  35.203   7.813  -0.660
  406   3HG2  VAL  55          HG23      VAL  55  34.348   6.562   0.241
  407    H    ASP  56           HN       ASP  56  32.695   9.110  -1.348
  408    HA   ASP  56           HA       ASP  56  34.543  11.186  -2.242
  409   1HB   ASP  56          HB1       ASP  56  32.172   9.851  -3.594
  410   2HB   ASP  56          HB2       ASP  56  33.875   9.465  -3.836
  411    H    ALA  57           HN       ALA  57  33.994  12.978  -0.907
  412    HA   ALA  57           HA       ALA  57  31.220  13.953  -0.875
  413   1HB   ALA  57          HB1       ALA  57  32.704  14.070   1.131
  414   2HB   ALA  57          HB2       ALA  57  32.044  15.637   0.663
  415   3HB   ALA  57          HB3       ALA  57  33.715  15.231   0.271
  416    H    ASP  58           HN       ASP  58  33.991  14.504  -2.905
  417    HA   ASP  58           HA       ASP  58  33.104  17.229  -3.597
  418   1HB   ASP  58          HB1       ASP  58  35.513  16.760  -3.550
  419   2HB   ASP  58          HB2       ASP  58  35.011  17.183  -5.186
  420    H    GLY  59           HN       GLY  59  32.486  14.006  -4.510
  421   1HA   GLY  59          HA1       GLY  59  30.705  14.848  -6.672
  422   2HA   GLY  59          HA2       GLY  59  30.929  13.199  -6.093
  423    H    ASN  60           HN       ASN  60  33.996  13.829  -6.475
  424    HA   ASN  60           HA       ASN  60  34.240  14.077  -9.364
  425   1HB   ASN  60          HB1       ASN  60  35.983  14.721  -7.540
  426   2HB   ASN  60          HB2       ASN  60  36.565  14.018  -9.041
  427   1HD2  ASN  60          HD21      ASN  60  38.502  13.279  -7.785
  428   2HD2  ASN  60          HD22      ASN  60  38.391  11.896  -6.807
  429    H    GLY  61           HN       GLY  61  33.947  11.373  -7.126
  430   1HA   GLY  61          HA1       GLY  61  33.823   9.553  -9.485
  431   2HA   GLY  61          HA2       GLY  61  33.153   9.229  -7.889
  432    H    THR  62           HN       THR  62  36.064  10.477  -7.135
  433    HA   THR  62           HA       THR  62  37.274   7.768  -6.914
  434    HB   THR  62           HB       THR  62  39.457   8.616  -7.735
  435    HG1  THR  62           HG1      THR  62  39.695  10.645  -8.218
  436   1HG2  THR  62          HG21      THR  62  37.840   7.477  -9.272
  437   2HG2  THR  62          HG22      THR  62  38.902   8.614 -10.102
  438   3HG2  THR  62          HG23      THR  62  37.236   9.064  -9.748
  439    H    ILE  63           HN       ILE  63  39.259   7.862  -5.500
  440    HA   ILE  63           HA       ILE  63  38.791   9.786  -3.240
  441    HB   ILE  63           HB       ILE  63  40.345   7.187  -3.197
  442   1HG1  ILE  63          HG11      ILE  63  37.895   6.900  -3.823
  443   2HG1  ILE  63          HG12      ILE  63  37.493   7.617  -2.265
  444   1HG2  ILE  63          HG21      ILE  63  40.658   9.022  -1.407
  445   2HG2  ILE  63          HG22      ILE  63  40.271   7.400  -0.840
  446   3HG2  ILE  63          HG23      ILE  63  39.014   8.634  -0.903
  447   1HD1  ILE  63          HD11      ILE  63  38.850   4.992  -2.849
  448   2HD1  ILE  63          HD12      ILE  63  37.479   5.317  -1.790
  449   3HD1  ILE  63          HD13      ILE  63  39.102   5.786  -1.295
  450    H    ASP  64           HN       ASP  64  40.251  11.257  -2.831
  451    HA   ASP  64           HA       ASP  64  42.902  11.116  -4.201
  452   1HB   ASP  64          HB1       ASP  64  41.623  13.134  -4.684
  453   2HB   ASP  64          HB2       ASP  64  43.036  13.566  -3.715
  454    H    PHE  65           HN       PHE  65  44.062  13.106  -2.329
  455    HA   PHE  65           HA       PHE  65  45.025  11.206  -0.360
  456   1HB   PHE  65          HB1       PHE  65  45.653  14.044  -1.095
  457   2HB   PHE  65          HB2       PHE  65  46.721  12.656  -0.989
  458    HD1  PHE  65           HD1      PHE  65  46.096  11.614   1.713
  459    HD2  PHE  65           HD2      PHE  65  46.636  15.650   0.344
  460    HE1  PHE  65           HE1      PHE  65  46.790  12.295   3.994
  461    HE2  PHE  65           HE2      PHE  65  47.330  16.331   2.626
  462    HZ   PHE  65           HZ       PHE  65  47.408  14.653   4.451
  463    HA   PRO  66           HA       PRO  66  42.855  14.091   2.893
  464   1HB   PRO  66          HB1       PRO  66  42.433  16.259   2.237
  465   2HB   PRO  66          HB2       PRO  66  40.804  15.684   1.833
  466   1HG   PRO  66          HG1       PRO  66  42.406  16.779  -0.012
  467   2HG   PRO  66          HG2       PRO  66  41.329  15.427  -0.410
  468   1HD   PRO  66          HD1       PRO  66  44.295  15.406   0.136
  469   2HD   PRO  66          HD2       PRO  66  43.380  14.545  -1.124
  470    H    GLU  67           HN       GLU  67  40.981  13.035   0.085
  471    HA   GLU  67           HA       GLU  67  38.656  12.220   1.584
  472   1HB   GLU  67          HB1       GLU  67  38.058  11.000  -0.499
  473   2HB   GLU  67          HB2       GLU  67  39.659  11.352  -1.142
  474   1HG   GLU  67          HG1       GLU  67  39.177  13.799  -0.827
  475   2HG   GLU  67          HG2       GLU  67  37.547  13.374  -0.313
  476    H    PHE  68           HN       PHE  68  41.532  10.520   0.384
  477    HA   PHE  68           HA       PHE  68  40.748   7.936   1.385
  478   1HB   PHE  68          HB1       PHE  68  43.542   9.026   0.904
  479   2HB   PHE  68          HB2       PHE  68  42.553   8.206  -0.314
  480    HD1  PHE  68           HD1      PHE  68  45.121   7.696   2.011
  481    HD2  PHE  68           HD2      PHE  68  41.496   5.891   0.571
  482    HE1  PHE  68           HE1      PHE  68  45.893   5.486   2.827
  483    HE2  PHE  68           HE2      PHE  68  42.267   3.686   1.393
  484    HZ   PHE  68           HZ       PHE  68  44.464   3.482   2.520
  485    H    LEU  69           HN       LEU  69  42.438  10.691   2.767
  486    HA   LEU  69           HA       LEU  69  43.387   9.479   5.165
  487   1HB   LEU  69          HB1       LEU  69  42.426  12.292   4.562
  488   2HB   LEU  69          HB2       LEU  69  44.090  11.723   4.611
  489    HG   LEU  69           HG       LEU  69  42.184  12.003   6.954
  490   1HD1  LEU  69          HD11      LEU  69  44.299  11.283   8.249
  491   2HD1  LEU  69          HD12      LEU  69  44.871  10.643   6.709
  492   3HD1  LEU  69          HD13      LEU  69  43.389  10.015   7.431
  493   1HD2  LEU  69          HD21      LEU  69  44.916  13.228   6.509
  494   2HD2  LEU  69          HD22      LEU  69  43.710  13.681   7.714
  495   3HD2  LEU  69          HD23      LEU  69  43.424  14.026   6.008
  496    H    THR  70           HN       THR  70  40.317  11.155   4.474
  497    HA   THR  70           HA       THR  70  39.109  10.746   6.997
  498    HB   THR  70           HB       THR  70  36.964  11.072   5.791
  499    HG1  THR  70           HG1      THR  70  38.372  11.376   3.410
  500   1HG2  THR  70          HG21      THR  70  38.121  13.074   6.356
  501   2HG2  THR  70          HG22      THR  70  37.667  13.259   4.662
  502   3HG2  THR  70          HG23      THR  70  39.322  12.824   5.089
  503    H    MET  71           HN       MET  71  38.852   8.827   4.027
  504    HA   MET  71           HA       MET  71  37.120   6.803   4.909
  505   1HB   MET  71          HB1       MET  71  39.436   6.653   2.957
  506   2HB   MET  71          HB2       MET  71  37.744   6.973   2.577
  507   1HG   MET  71          HG1       MET  71  38.925   4.384   3.629
  508   2HG   MET  71          HG2       MET  71  38.210   4.660   2.045
  509   1HE   MET  71          HE1       MET  71  37.509   2.313   3.884
  510   2HE   MET  71          HE2       MET  71  36.662   2.546   2.357
  511   3HE   MET  71          HE3       MET  71  35.743   2.235   3.828
  512    H    MET  72           HN       MET  72  40.702   6.732   4.995
  513    HA   MET  72           HA       MET  72  40.828   4.216   6.345
  514   1HB   MET  72          HB1       MET  72  43.143   5.019   7.060
  515   2HB   MET  72          HB2       MET  72  42.781   6.525   6.218
  516   1HG   MET  72          HG1       MET  72  43.994   5.086   4.699
  517   2HG   MET  72          HG2       MET  72  42.324   5.175   4.148
  518   1HE   MET  72          HE1       MET  72  43.721   2.750   7.267
  519   2HE   MET  72          HE2       MET  72  44.879   3.540   6.202
  520   3HE   MET  72          HE3       MET  72  44.630   1.801   6.084
  521    H    ALA  73           HN       ALA  73  40.518   7.498   7.597
  522    HA   ALA  73           HA       ALA  73  40.961   6.868  10.350
  523   1HB   ALA  73          HB1       ALA  73  40.784   9.189   9.345
  524   2HB   ALA  73          HB2       ALA  73  39.866   8.962  10.833
  525   3HB   ALA  73          HB3       ALA  73  39.038   8.950   9.276
  526    H    ARG  74           HN       ARG  74  38.142   6.612   8.259
  527    HA   ARG  74           HA       ARG  74  36.213   6.058  10.314
  528   1HB   ARG  74          HB1       ARG  74  34.905   5.039   8.398
  529   2HB   ARG  74          HB2       ARG  74  36.289   5.397   7.367
  530   1HG   ARG  74          HG1       ARG  74  36.103   7.776   7.877
  531   2HG   ARG  74          HG2       ARG  74  34.818   7.451   9.038
  532   1HD   ARG  74          HD1       ARG  74  33.228   7.098   7.382
  533   2HD   ARG  74          HD2       ARG  74  34.410   6.456   6.243
  534    HE   ARG  74           HE       ARG  74  34.446   8.572   5.304
  535   1HH1  ARG  74          HH11      ARG  74  34.774  10.791   5.338
  536   2HH1  ARG  74          HH12      ARG  74  34.673  11.649   6.840
  537   1HH2  ARG  74          HH21      ARG  74  33.934   8.837   8.710
  538   2HH2  ARG  74          HH22      ARG  74  34.210  10.543   8.743
  539    H    LYS  75           HN       LYS  75  38.620   4.062   8.729
  540    HA   LYS  75           HA       LYS  75  37.367   1.540   9.350
  541   1HB   LYS  75          HB1       LYS  75  40.329   2.056   8.961
  542   2HB   LYS  75          HB2       LYS  75  39.190   1.897   7.623
  543   1HG   LYS  75          HG1       LYS  75  38.578  -0.358   8.403
  544   2HG   LYS  75          HG2       LYS  75  39.690  -0.196   9.764
  545   1HD   LYS  75          HD1       LYS  75  41.588  -0.039   8.253
  546   2HD   LYS  75          HD2       LYS  75  40.517  -0.019   6.851
  547   1HE   LYS  75          HE1       LYS  75  41.356  -2.268   7.073
  548   2HE   LYS  75          HE2       LYS  75  39.672  -2.290   7.597
  549   1HZ   LYS  75          HZ1       LYS  75  40.252  -2.534   9.776
  550   2HZ   LYS  75          HZ2       LYS  75  41.763  -1.780   9.588
  551   3HZ   LYS  75          HZ3       LYS  75  41.532  -3.373   9.045
  552    H    MET  76           HN       MET  76  39.254   3.771  11.185
  553    HA   MET  76           HA       MET  76  40.068   3.680  13.391
  554   1HB   MET  76          HB1       MET  76  38.468   2.622  14.968
  555   2HB   MET  76          HB2       MET  76  37.613   1.919  13.595
  556   1HG   MET  76          HG1       MET  76  37.153   4.168  12.714
  557   2HG   MET  76          HG2       MET  76  38.052   4.888  14.050
  558   1HE   MET  76          HE1       MET  76  34.839   5.379  13.153
  559   2HE   MET  76          HE2       MET  76  35.932   6.323  14.162
  560   3HE   MET  76          HE3       MET  76  34.372   5.814  14.803
  Start of MODEL    2
    1    H    ALA   1           H        ALA   1  11.547  15.976 -12.801
    2    HA   ALA   1           HA       ALA   1   8.946  14.620 -12.568
    3   1HB   ALA   1          HB1       ALA   1   9.055  15.126 -14.923
    4   2HB   ALA   1          HB2       ALA   1   9.557  13.446 -14.726
    5   3HB   ALA   1          HB3       ALA   1  10.766  14.703 -14.988
    6    H    ASP   2           HN       ASP   2   9.853  13.642 -10.684
    7    HA   ASP   2           HA       ASP   2  12.466  12.325 -10.832
    8   1HB   ASP   2          HB1       ASP   2  11.850  11.484  -8.555
    9   2HB   ASP   2          HB2       ASP   2  10.273  12.255  -8.737
   10    H    GLN   3           HN       GLN   3  12.674  10.434 -11.922
   11    HA   GLN   3           HA       GLN   3  10.320   8.620 -12.175
   12   1HB   GLN   3          HB1       GLN   3  11.592   7.534 -13.947
   13   2HB   GLN   3          HB2       GLN   3  13.022   8.488 -13.548
   14   1HG   GLN   3          HG1       GLN   3  11.922   9.502 -15.465
   15   2HG   GLN   3          HG2       GLN   3  11.707  10.561 -14.071
   16   1HE2  GLN   3          HE21      GLN   3  10.038   8.638 -16.444
   17   2HE2  GLN   3          HE22      GLN   3   8.467   8.902 -15.857
   18    H    LEU   4           HN       LEU   4  10.326   6.585 -11.247
   19    HA   LEU   4           HA       LEU   4  12.238   6.076  -9.125
   20   1HB   LEU   4          HB1       LEU   4  10.908   4.161  -8.622
   21   2HB   LEU   4          HB2       LEU   4  10.263   4.090 -10.262
   22    HG   LEU   4           HG       LEU   4   9.085   6.219  -9.905
   23   1HD1  LEU   4          HD11      LEU   4   8.607   4.276  -7.628
   24   2HD1  LEU   4          HD12      LEU   4   7.987   4.084  -9.268
   25   3HD1  LEU   4          HD13      LEU   4   7.442   5.433  -8.272
   26   1HD2  LEU   4          HD21      LEU   4  10.473   7.421  -8.402
   27   2HD2  LEU   4          HD22      LEU   4  10.515   6.093  -7.243
   28   3HD2  LEU   4          HD23      LEU   4   9.041   7.040  -7.447
   29    H    THR   5           HN       THR   5  14.007   4.723  -9.158
   30    HA   THR   5           HA       THR   5  14.892   3.735 -11.790
   31    HB   THR   5           HB       THR   5  17.030   3.442 -10.783
   32    HG1  THR   5           HG1      THR   5  15.479   3.121  -8.526
   33   1HG2  THR   5          HG21      THR   5  17.480   5.599  -9.842
   34   2HG2  THR   5          HG22      THR   5  15.819   5.767  -9.276
   35   3HG2  THR   5          HG23      THR   5  16.171   5.823 -11.003
   36    H    GLU   6           HN       GLU   6  15.926   1.443 -11.774
   37    HA   GLU   6           HA       GLU   6  13.919  -0.491 -11.171
   38   1HB   GLU   6          HB1       GLU   6  16.858  -1.187 -11.349
   39   2HB   GLU   6          HB2       GLU   6  15.967  -0.660 -12.777
   40   1HG   GLU   6          HG1       GLU   6  15.924  -3.100 -12.651
   41   2HG   GLU   6          HG2       GLU   6  14.301  -2.474 -12.359
   42    H    GLU   7           HN       GLU   7  16.728   0.619  -9.304
   43    HA   GLU   7           HA       GLU   7  16.458  -1.392  -7.243
   44   1HB   GLU   7          HB1       GLU   7  17.870   0.175  -5.894
   45   2HB   GLU   7          HB2       GLU   7  17.722   1.367  -7.186
   46   1HG   GLU   7          HG1       GLU   7  18.796  -0.167  -8.761
   47   2HG   GLU   7          HG2       GLU   7  18.866  -1.423  -7.524
   48    H    GLN   8           HN       GLN   8  15.539   2.095  -7.280
   49    HA   GLN   8           HA       GLN   8  14.199   2.170  -4.835
   50   1HB   GLN   8          HB1       GLN   8  12.742   3.939  -5.864
   51   2HB   GLN   8          HB2       GLN   8  13.422   3.523  -7.438
   52   1HG   GLN   8          HG1       GLN   8  15.670   4.091  -6.638
   53   2HG   GLN   8          HG2       GLN   8  15.030   4.436  -5.031
   54   1HE2  GLN   8          HE21      GLN   8  16.182   6.631  -5.800
   55   2HE2  GLN   8          HE22      GLN   8  15.151   7.755  -6.545
   56    H    ILE   9           HN       ILE   9  12.908   1.066  -7.971
   57    HA   ILE   9           HA       ILE   9  10.264   0.511  -7.074
   58    HB   ILE   9           HB       ILE   9  11.934  -0.794  -9.242
   59   1HG1  ILE   9          HG11      ILE   9  11.363   1.669  -9.420
   60   2HG1  ILE   9          HG12      ILE   9   9.663   1.208  -9.427
   61   1HG2  ILE   9          HG21      ILE   9   9.614  -1.478 -10.100
   62   2HG2  ILE   9          HG22      ILE   9   9.021  -1.106  -8.482
   63   3HG2  ILE   9          HG23      ILE   9  10.225  -2.374  -8.710
   64   1HD1  ILE   9          HD11      ILE   9  10.185  -0.294 -11.402
   65   2HD1  ILE   9          HD12      ILE   9  11.785   0.445 -11.451
   66   3HD1  ILE   9          HD13      ILE   9  10.349   1.431 -11.727
   67    H    ALA  10           HN       ALA  10  13.138  -1.588  -7.295
   68    HA   ALA  10           HA       ALA  10  12.031  -3.965  -6.299
   69   1HB   ALA  10          HB1       ALA  10  14.785  -2.969  -5.539
   70   2HB   ALA  10          HB2       ALA  10  14.409  -3.577  -7.151
   71   3HB   ALA  10          HB3       ALA  10  14.260  -4.639  -5.751
   72    H    GLU  11           HN       GLU  11  13.458  -1.274  -4.467
   73    HA   GLU  11           HA       GLU  11  13.107  -2.310  -1.842
   74   1HB   GLU  11          HB1       GLU  11  12.969   0.119  -1.170
   75   2HB   GLU  11          HB2       GLU  11  12.992   0.531  -2.887
   76   1HG   GLU  11          HG1       GLU  11  15.160  -0.583  -3.146
   77   2HG   GLU  11          HG2       GLU  11  15.128  -1.078  -1.454
   78    H    PHE  12           HN       PHE  12  10.836  -0.300  -3.757
   79    HA   PHE  12           HA       PHE  12   8.767  -0.449  -1.750
   80   1HB   PHE  12          HB1       PHE  12   7.249   0.265  -3.606
   81   2HB   PHE  12          HB2       PHE  12   8.577   0.038  -4.745
   82    HD1  PHE  12           HD1      PHE  12   9.830   1.944  -5.285
   83    HD2  PHE  12           HD2      PHE  12   7.946   1.709  -1.431
   84    HE1  PHE  12           HE1      PHE  12  10.670   4.209  -4.736
   85    HE2  PHE  12           HE2      PHE  12   8.787   3.975  -0.884
   86    HZ   PHE  12           HZ       PHE  12  10.149   5.226  -2.536
   87    H    LYS  13           HN       LYS  13   9.602  -2.510  -4.520
   88    HA   LYS  13           HA       LYS  13   7.274  -4.147  -4.457
   89   1HB   LYS  13          HB1       LYS  13  10.107  -5.073  -5.038
   90   2HB   LYS  13          HB2       LYS  13   9.085  -4.243  -6.212
   91   1HG   LYS  13          HG1       LYS  13   7.358  -6.062  -5.831
   92   2HG   LYS  13          HG2       LYS  13   8.578  -6.927  -4.898
   93   1HD   LYS  13          HD1       LYS  13   8.803  -6.085  -7.806
   94   2HD   LYS  13          HD2       LYS  13   8.571  -7.730  -7.216
   95   1HE   LYS  13          HE1       LYS  13  11.008  -5.971  -7.000
   96   2HE   LYS  13          HE2       LYS  13  10.890  -7.629  -7.587
   97   1HZ   LYS  13          HZ1       LYS  13  11.878  -7.403  -5.336
   98   2HZ   LYS  13          HZ2       LYS  13  10.516  -8.417  -5.394
   99   3HZ   LYS  13          HZ3       LYS  13  10.380  -6.841  -4.774
  100    H    GLU  14           HN       GLU  14  10.341  -4.398  -2.649
  101    HA   GLU  14           HA       GLU  14   9.660  -6.772  -1.190
  102   1HB   GLU  14          HB1       GLU  14  11.371  -5.992   0.434
  103   2HB   GLU  14          HB2       GLU  14  11.416  -4.431  -0.384
  104   1HG   GLU  14          HG1       GLU  14  13.252  -5.795  -1.212
  105   2HG   GLU  14          HG2       GLU  14  12.055  -5.632  -2.497
  106    H    ALA  15           HN       ALA  15   9.089  -3.330  -0.596
  107    HA   ALA  15           HA       ALA  15   7.863  -3.678   1.992
  108   1HB   ALA  15          HB1       ALA  15   8.641  -1.463   1.226
  109   2HB   ALA  15          HB2       ALA  15   6.917  -1.414   1.594
  110   3HB   ALA  15          HB3       ALA  15   7.459  -1.494  -0.082
  111    H    PHE  16           HN       PHE  16   6.573  -3.700  -1.322
  112    HA   PHE  16           HA       PHE  16   3.823  -3.818  -0.639
  113   1HB   PHE  16          HB1       PHE  16   5.378  -5.021  -2.943
  114   2HB   PHE  16          HB2       PHE  16   4.450  -3.518  -2.931
  115    HD1  PHE  16           HD1      PHE  16   4.355  -7.007  -3.672
  116    HD2  PHE  16           HD2      PHE  16   1.910  -3.737  -2.346
  117    HE1  PHE  16           HE1      PHE  16   2.321  -8.262  -4.332
  118    HE2  PHE  16           HE2      PHE  16  -0.124  -4.991  -3.006
  119    HZ   PHE  16           HZ       PHE  16   0.082  -7.253  -3.999
  120    H    SER  17           HN       SER  17   6.241  -6.405  -1.013
  121    HA   SER  17           HA       SER  17   4.506  -8.597  -0.508
  122   1HB   SER  17          HB1       SER  17   6.531  -9.863   0.000
  123   2HB   SER  17          HB2       SER  17   7.441  -8.371   0.218
  124    HG   SER  17           HG       SER  17   6.249  -8.203  -2.119
  125    H    LEU  18           HN       LEU  18   6.342  -6.533   1.730
  126    HA   LEU  18           HA       LEU  18   5.902  -7.984   4.110
  127   1HB   LEU  18          HB1       LEU  18   5.713  -5.404   5.019
  128   2HB   LEU  18          HB2       LEU  18   6.405  -5.127   3.428
  129    HG   LEU  18           HG       LEU  18   8.282  -5.341   4.823
  130   1HD1  LEU  18          HD11      LEU  18   7.054  -7.801   6.101
  131   2HD1  LEU  18          HD12      LEU  18   6.999  -6.182   6.796
  132   3HD1  LEU  18          HD13      LEU  18   8.547  -6.994   6.574
  133   1HD2  LEU  18          HD21      LEU  18   8.035  -7.092   2.797
  134   2HD2  LEU  18          HD22      LEU  18   8.181  -8.253   4.115
  135   3HD2  LEU  18          HD23      LEU  18   9.451  -7.065   3.840
  136    H    PHE  19           HN       PHE  19   3.738  -5.674   2.478
  137    HA   PHE  19           HA       PHE  19   1.668  -5.902   4.510
  138   1HB   PHE  19          HB1       PHE  19   0.241  -4.898   2.571
  139   2HB   PHE  19          HB2       PHE  19   1.774  -4.781   1.712
  140    HD1  PHE  19           HD1      PHE  19  -0.283  -3.428   4.406
  141    HD2  PHE  19           HD2      PHE  19   3.612  -3.367   2.616
  142    HE1  PHE  19           HE1      PHE  19   0.240  -1.322   5.611
  143    HE2  PHE  19           HE2      PHE  19   4.141  -1.268   3.820
  144    HZ   PHE  19           HZ       PHE  19   2.453  -0.244   5.320
  145    H    ASP  20           HN       ASP  20   2.469  -7.653   1.566
  146    HA   ASP  20           HA       ASP  20  -0.094  -9.095   1.560
  147   1HB   ASP  20          HB1       ASP  20   2.426  -9.837   0.053
  148   2HB   ASP  20          HB2       ASP  20   1.310  -8.596  -0.518
  149    H    LYS  21           HN       LYS  21   0.288  -9.709   3.904
  150    HA   LYS  21           HA       LYS  21   2.357 -11.527   4.664
  151   1HB   LYS  21          HB1       LYS  21  -0.416 -11.338   5.863
  152   2HB   LYS  21          HB2       LYS  21   0.887 -10.206   6.226
  153   1HG   LYS  21          HG1       LYS  21   2.282 -12.060   7.045
  154   2HG   LYS  21          HG2       LYS  21   1.004 -13.209   6.647
  155   1HD   LYS  21          HD1       LYS  21  -0.477 -12.238   8.283
  156   2HD   LYS  21          HD2       LYS  21   0.619 -10.882   8.549
  157   1HE   LYS  21          HE1       LYS  21   1.453 -13.746   9.049
  158   2HE   LYS  21          HE2       LYS  21   0.682 -12.764  10.295
  159   1HZ   LYS  21          HZ1       LYS  21   2.739 -12.064  10.730
  160   2HZ   LYS  21          HZ2       LYS  21   2.599 -11.123   9.322
  161   3HZ   LYS  21          HZ3       LYS  21   3.362 -12.640   9.262
  162    H    ASP  22           HN       ASP  22  -0.768 -12.068   3.096
  163    HA   ASP  22           HA       ASP  22  -0.562 -14.975   3.550
  164   1HB   ASP  22          HB1       ASP  22  -2.776 -13.938   3.632
  165   2HB   ASP  22          HB2       ASP  22  -2.693 -15.091   2.301
  166    H    GLY  23           HN       GLY  23   0.699 -12.784   1.335
  167   1HA   GLY  23          HA1       GLY  23   1.741 -14.889  -0.344
  168   2HA   GLY  23          HA2       GLY  23   1.960 -13.162  -0.608
  169    H    ASP  24           HN       ASP  24  -1.127 -12.916  -0.520
  170    HA   ASP  24           HA       ASP  24  -1.907 -14.374  -2.956
  171   1HB   ASP  24          HB1       ASP  24  -3.545 -14.035  -1.121
  172   2HB   ASP  24          HB2       ASP  24  -4.107 -13.289  -2.617
  173    H    GLY  25           HN       GLY  25  -0.171 -11.592  -2.430
  174   1HA   GLY  25          HA1       GLY  25  -0.358 -10.812  -5.200
  175   2HA   GLY  25          HA2       GLY  25   0.517  -9.939  -3.946
  176    H    THR  26           HN       THR  26  -2.298 -10.063  -2.483
  177    HA   THR  26           HA       THR  26  -3.341  -7.587  -3.799
  178    HB   THR  26           HB       THR  26  -5.643  -8.440  -3.072
  179    HG1  THR  26           HG1      THR  26  -5.617 -10.247  -2.042
  180   1HG2  THR  26          HG21      THR  26  -4.021  -9.826  -5.219
  181   2HG2  THR  26          HG22      THR  26  -5.078  -8.426  -5.406
  182   3HG2  THR  26          HG23      THR  26  -5.768 -10.012  -5.059
  183    H    ILE  27           HN       ILE  27  -3.428  -5.938  -2.221
  184    HA   ILE  27           HA       ILE  27  -3.209  -6.746   0.641
  185    HB   ILE  27           HB       ILE  27  -2.686  -4.144  -0.802
  186   1HG1  ILE  27          HG11      ILE  27  -1.021  -6.034  -0.970
  187   2HG1  ILE  27          HG12      ILE  27  -0.841  -5.948   0.782
  188   1HG2  ILE  27          HG21      ILE  27  -2.720  -4.807   2.147
  189   2HG2  ILE  27          HG22      ILE  27  -3.558  -3.496   1.317
  190   3HG2  ILE  27          HG23      ILE  27  -1.806  -3.443   1.503
  191   1HD1  ILE  27          HD11      ILE  27   0.899  -4.634  -0.433
  192   2HD1  ILE  27          HD12      ILE  27  -0.089  -3.629   0.624
  193   3HD1  ILE  27          HD13      ILE  27  -0.376  -3.627  -1.116
  194    H    THR  28           HN       THR  28  -4.978  -6.561   1.924
  195    HA   THR  28           HA       THR  28  -7.336  -5.006   0.948
  196    HB   THR  28           HB       THR  28  -8.496  -6.321   2.814
  197    HG1  THR  28           HG1      THR  28  -6.557  -8.247   2.644
  198   1HG2  THR  28          HG21      THR  28  -8.893  -7.001   0.571
  199   2HG2  THR  28          HG22      THR  28  -8.418  -8.472   1.421
  200   3HG2  THR  28          HG23      THR  28  -7.256  -7.633   0.393
  201    H    THR  29           HN       THR  29  -8.653  -4.263   3.108
  202    HA   THR  29           HA       THR  29  -7.038  -2.179   4.312
  203    HB   THR  29           HB       THR  29  -9.038  -1.397   5.190
  204    HG1  THR  29           HG1      THR  29  -9.602  -4.131   5.550
  205   1HG2  THR  29          HG21      THR  29  -9.250  -2.081   2.677
  206   2HG2  THR  29          HG22      THR  29 -10.711  -1.651   3.564
  207   3HG2  THR  29          HG23      THR  29 -10.316  -3.346   3.286
  208    H    LYS  30           HN       LYS  30  -8.372  -5.275   5.509
  209    HA   LYS  30           HA       LYS  30  -7.626  -4.970   8.213
  210   1HB   LYS  30          HB1       LYS  30  -9.024  -6.838   7.300
  211   2HB   LYS  30          HB2       LYS  30  -7.747  -7.390   8.384
  212   1HG   LYS  30          HG1       LYS  30  -6.369  -8.070   6.529
  213   2HG   LYS  30          HG2       LYS  30  -7.450  -7.293   5.373
  214   1HD   LYS  30          HD1       LYS  30  -9.182  -8.893   5.788
  215   2HD   LYS  30          HD2       LYS  30  -8.351  -9.523   7.210
  216   1HE   LYS  30          HE1       LYS  30  -6.627 -10.509   5.872
  217   2HE   LYS  30          HE2       LYS  30  -7.152  -9.636   4.432
  218   1HZ   LYS  30          HZ1       LYS  30  -8.386 -11.951   5.755
  219   2HZ   LYS  30          HZ2       LYS  30  -8.095 -11.681   4.103
  220   3HZ   LYS  30          HZ3       LYS  30  -9.370 -10.876   4.886
  221    H    GLU  31           HN       GLU  31  -5.672  -6.119   5.464
  222    HA   GLU  31           HA       GLU  31  -3.398  -6.777   7.121
  223   1HB   GLU  31          HB1       GLU  31  -2.151  -6.641   4.872
  224   2HB   GLU  31          HB2       GLU  31  -3.725  -6.292   4.152
  225   1HG   GLU  31          HG1       GLU  31  -4.621  -8.396   5.008
  226   2HG   GLU  31          HG2       GLU  31  -3.106  -8.731   5.847
  227    H    LEU  32           HN       LEU  32  -4.406  -3.893   5.329
  228    HA   LEU  32           HA       LEU  32  -1.977  -2.436   5.679
  229   1HB   LEU  32          HB1       LEU  32  -3.563  -0.395   5.431
  230   2HB   LEU  32          HB2       LEU  32  -4.845  -1.589   5.240
  231    HG   LEU  32           HG       LEU  32  -3.206  -2.630   3.438
  232   1HD1  LEU  32          HD11      LEU  32  -5.336  -1.838   2.744
  233   2HD1  LEU  32          HD12      LEU  32  -4.183  -0.981   1.725
  234   3HD1  LEU  32          HD13      LEU  32  -4.920  -0.164   3.103
  235   1HD2  LEU  32          HD21      LEU  32  -1.936  -0.823   2.254
  236   2HD2  LEU  32          HD22      LEU  32  -1.300  -1.161   3.859
  237   3HD2  LEU  32          HD23      LEU  32  -2.297   0.266   3.592
  238    H    GLY  33           HN       GLY  33  -4.821  -2.850   7.723
  239   1HA   GLY  33          HA1       GLY  33  -5.214  -2.188   9.940
  240   2HA   GLY  33          HA2       GLY  33  -4.054  -0.879   9.692
  241    H    THR  34           HN       THR  34  -3.625  -4.414   9.434
  242    HA   THR  34           HA       THR  34  -2.355  -4.890  11.894
  243    HB   THR  34           HB       THR  34  -1.952  -6.156   9.176
  244    HG1  THR  34           HG1      THR  34  -3.326  -7.625   9.975
  245   1HG2  THR  34          HG21      THR  34  -0.720  -6.852  11.851
  246   2HG2  THR  34          HG22      THR  34   0.104  -6.606  10.311
  247   3HG2  THR  34          HG23      THR  34  -0.900  -8.035  10.555
  248    H    VAL  35           HN       VAL  35  -0.718  -4.209   8.775
  249    HA   VAL  35           HA       VAL  35   1.904  -3.883   9.894
  250    HB   VAL  35           HB       VAL  35   0.663  -2.791   7.363
  251   1HG1  VAL  35          HG11      VAL  35   3.160  -2.687   6.688
  252   2HG1  VAL  35          HG12      VAL  35   3.495  -2.753   8.417
  253   3HG1  VAL  35          HG13      VAL  35   2.557  -1.416   7.751
  254   1HG2  VAL  35          HG21      VAL  35   2.153  -4.663   6.409
  255   2HG2  VAL  35          HG22      VAL  35   0.690  -5.164   7.253
  256   3HG2  VAL  35          HG23      VAL  35   2.253  -5.267   8.061
  257    H    MET  36           HN       MET  36  -0.348  -1.344   8.721
  258    HA   MET  36           HA       MET  36   1.103   0.876   9.596
  259   1HB   MET  36          HB1       MET  36  -1.173   1.996   9.873
  260   2HB   MET  36          HB2       MET  36  -1.891   0.432   9.504
  261   1HG   MET  36          HG1       MET  36  -0.676   0.390   7.348
  262   2HG   MET  36          HG2       MET  36   0.046   1.953   7.727
  263   1HE   MET  36          HE1       MET  36  -1.635   3.949   8.661
  264   2HE   MET  36          HE2       MET  36  -2.538   4.547   7.271
  265   3HE   MET  36          HE3       MET  36  -0.849   4.083   7.082
  266    H    ARG  37           HN       ARG  37  -1.027  -1.225  11.497
  267    HA   ARG  37           HA       ARG  37  -0.883   0.341  13.914
  268   1HB   ARG  37          HB1       ARG  37  -1.412  -1.985  14.980
  269   2HB   ARG  37          HB2       ARG  37  -1.531  -2.549  13.316
  270   1HG   ARG  37          HG1       ARG  37  -3.751  -1.911  14.022
  271   2HG   ARG  37          HG2       ARG  37  -3.179  -0.695  12.883
  272   1HD   ARG  37          HD1       ARG  37  -3.163   0.960  14.475
  273   2HD   ARG  37          HD2       ARG  37  -2.524  -0.106  15.719
  274    HE   ARG  37           HE       ARG  37  -4.695  -0.176  16.533
  275   1HH1  ARG  37          HH11      ARG  37  -6.891  -0.615  16.398
  276   2HH1  ARG  37          HH12      ARG  37  -7.649  -0.728  14.845
  277   1HH2  ARG  37          HH21      ARG  37  -4.747  -0.080  13.079
  278   2HH2  ARG  37          HH22      ARG  37  -6.435  -0.434  12.972
  279    H    SER  38           HN       SER  38   1.129  -2.169  12.468
  280    HA   SER  38           HA       SER  38   2.826  -2.587  14.757
  281   1HB   SER  38          HB1       SER  38   3.543  -2.909  11.827
  282   2HB   SER  38          HB2       SER  38   2.678  -4.120  12.769
  283    HG   SER  38           HG       SER  38   5.336  -3.348  12.891
  284    H    LEU  39           HN       LEU  39   2.884  -0.303  12.065
  285    HA   LEU  39           HA       LEU  39   5.518   0.753  12.695
  286   1HB   LEU  39          HB1       LEU  39   5.038   2.424  11.017
  287   2HB   LEU  39          HB2       LEU  39   3.313   2.074  11.094
  288    HG   LEU  39           HG       LEU  39   3.788  -0.245  10.302
  289   1HD1  LEU  39          HD11      LEU  39   4.911   1.919   8.496
  290   2HD1  LEU  39          HD12      LEU  39   3.192   1.599   8.730
  291   3HD1  LEU  39          HD13      LEU  39   4.221   0.379   7.980
  292   1HD2  LEU  39          HD21      LEU  39   6.607   0.847  10.281
  293   2HD2  LEU  39          HD22      LEU  39   6.140  -0.460   9.194
  294   3HD2  LEU  39          HD23      LEU  39   6.022  -0.682  10.937
  295    H    GLY  40           HN       GLY  40   2.638   1.018  14.349
  296   1HA   GLY  40          HA1       GLY  40   3.636   3.443  15.745
  297   2HA   GLY  40          HA2       GLY  40   2.414   2.331  16.359
  298    H    GLN  41           HN       GLN  41   1.368   2.669  13.346
  299    HA   GLN  41           HA       GLN  41   0.155   5.364  13.611
  300   1HB   GLN  41          HB1       GLN  41  -0.793   4.843  11.351
  301   2HB   GLN  41          HB2       GLN  41   0.007   3.275  11.420
  302   1HG   GLN  41          HG1       GLN  41   2.192   4.436  11.693
  303   2HG   GLN  41          HG2       GLN  41   1.364   5.985  11.536
  304   1HE2  GLN  41          HE21      GLN  41   2.861   6.182   9.554
  305   2HE2  GLN  41          HE22      GLN  41   2.333   5.493   8.096
  306    H    ASN  42           HN       ASN  42  -2.201   5.608  13.450
  307    HA   ASN  42           HA       ASN  42  -3.771   3.200  14.287
  308   1HB   ASN  42          HB1       ASN  42  -4.853   4.433  16.042
  309   2HB   ASN  42          HB2       ASN  42  -4.076   5.936  15.543
  310   1HD2  ASN  42          HD21      ASN  42  -2.472   2.746  15.753
  311   2HD2  ASN  42          HD22      ASN  42  -1.401   3.184  16.994
  312    HA   PRO  43           HA       PRO  43  -5.881   5.761  11.013
  313   1HB   PRO  43          HB1       PRO  43  -4.507   4.931   9.324
  314   2HB   PRO  43          HB2       PRO  43  -5.942   3.932   9.012
  315   1HG   PRO  43          HG1       PRO  43  -3.548   2.832   9.474
  316   2HG   PRO  43          HG2       PRO  43  -5.035   2.093  10.094
  317   1HD   PRO  43          HD1       PRO  43  -2.888   3.563  11.572
  318   2HD   PRO  43          HD2       PRO  43  -4.007   2.313  12.158
  319    H    THR  44           HN       THR  44  -8.114   5.711  10.716
  320    HA   THR  44           HA       THR  44  -9.603   3.555  12.068
  321    HB   THR  44           HB       THR  44 -11.480   4.989  11.935
  322    HG1  THR  44           HG1      THR  44 -11.587   6.668  10.447
  323   1HG2  THR  44          HG21      THR  44 -10.657   7.146  12.719
  324   2HG2  THR  44          HG22      THR  44  -9.076   6.832  12.006
  325   3HG2  THR  44          HG23      THR  44  -9.636   5.862  13.368
  326    H    GLU  45           HN       GLU  45 -11.567   2.649  10.890
  327    HA   GLU  45           HA       GLU  45 -10.763   1.320   8.504
  328   1HB   GLU  45          HB1       GLU  45 -13.430   1.074   8.295
  329   2HB   GLU  45          HB2       GLU  45 -13.371   1.673   9.954
  330   1HG   GLU  45          HG1       GLU  45 -13.293  -0.726  10.071
  331   2HG   GLU  45          HG2       GLU  45 -11.674  -0.138  10.450
  332    H    ALA  46           HN       ALA  46 -12.786   4.212   8.976
  333    HA   ALA  46           HA       ALA  46 -13.443   4.602   6.231
  334   1HB   ALA  46          HB1       ALA  46 -13.888   6.955   6.890
  335   2HB   ALA  46          HB2       ALA  46 -13.097   6.656   8.437
  336   3HB   ALA  46          HB3       ALA  46 -14.591   5.811   8.033
  337    H    GLU  47           HN       GLU  47 -10.655   5.630   8.160
  338    HA   GLU  47           HA       GLU  47  -9.498   7.270   6.079
  339   1HB   GLU  47          HB1       GLU  47  -7.385   7.007   7.457
  340   2HB   GLU  47          HB2       GLU  47  -8.299   5.948   8.531
  341   1HG   GLU  47          HG1       GLU  47  -9.886   7.752   9.001
  342   2HG   GLU  47          HG2       GLU  47  -9.055   8.809   7.859
  343    H    LEU  48           HN       LEU  48  -9.069   3.851   7.016
  344    HA   LEU  48           HA       LEU  48  -6.944   3.328   5.168
  345   1HB   LEU  48          HB1       LEU  48  -7.673   0.942   5.369
  346   2HB   LEU  48          HB2       LEU  48  -9.098   1.485   6.249
  347    HG   LEU  48           HG       LEU  48  -7.560   2.570   7.925
  348   1HD1  LEU  48          HD11      LEU  48  -8.602   0.327   8.257
  349   2HD1  LEU  48          HD12      LEU  48  -7.043   0.477   9.069
  350   3HD1  LEU  48          HD13      LEU  48  -7.165  -0.414   7.551
  351   1HD2  LEU  48          HD21      LEU  48  -5.180   1.419   7.854
  352   2HD2  LEU  48          HD22      LEU  48  -5.477   2.859   6.889
  353   3HD2  LEU  48          HD23      LEU  48  -5.513   1.269   6.129
  354    H    GLN  49           HN       GLN  49 -10.481   3.132   4.886
  355    HA   GLN  49           HA       GLN  49 -10.564   2.072   2.251
  356   1HB   GLN  49          HB1       GLN  49 -12.528   3.996   3.536
  357   2HB   GLN  49          HB2       GLN  49 -12.539   2.246   3.764
  358   1HG   GLN  49          HG1       GLN  49 -12.806   3.622   1.073
  359   2HG   GLN  49          HG2       GLN  49 -14.159   3.009   2.020
  360   1HE2  GLN  49          HE21      GLN  49 -12.781   2.121  -0.660
  361   2HE2  GLN  49          HE22      GLN  49 -12.592   0.447  -0.451
  362    H    ASP  50           HN       ASP  50 -10.521   5.449   3.392
  363    HA   ASP  50           HA       ASP  50 -10.635   6.658   0.802
  364   1HB   ASP  50          HB1       ASP  50  -9.242   7.714   3.282
  365   2HB   ASP  50          HB2       ASP  50 -10.966   7.891   2.951
  366    H    MET  51           HN       MET  51  -7.873   5.648   2.830
  367    HA   MET  51           HA       MET  51  -5.807   6.590   1.121
  368   1HB   MET  51          HB1       MET  51  -4.437   4.734   2.157
  369   2HB   MET  51          HB2       MET  51  -5.911   4.147   2.917
  370   1HG   MET  51          HG1       MET  51  -4.944   5.515   4.585
  371   2HG   MET  51          HG2       MET  51  -6.125   6.587   3.835
  372   1HE   MET  51          HE1       MET  51  -1.580   6.744   3.719
  373   2HE   MET  51          HE2       MET  51  -2.440   5.277   3.259
  374   3HE   MET  51          HE3       MET  51  -2.654   5.945   4.875
  375    H    ILE  52           HN       ILE  52  -7.609   3.510   1.093
  376    HA   ILE  52           HA       ILE  52  -6.141   2.454  -1.166
  377    HB   ILE  52           HB       ILE  52  -8.827   1.705   0.028
  378   1HG1  ILE  52          HG11      ILE  52  -6.746   1.351   1.401
  379   2HG1  ILE  52          HG12      ILE  52  -6.128   0.319   0.113
  380   1HG2  ILE  52          HG21      ILE  52  -8.432  -0.432  -1.332
  381   2HG2  ILE  52          HG22      ILE  52  -7.212   0.475  -2.223
  382   3HG2  ILE  52          HG23      ILE  52  -8.898   0.989  -2.262
  383   1HD1  ILE  52          HD11      ILE  52  -7.815  -1.307   0.454
  384   2HD1  ILE  52          HD12      ILE  52  -8.823  -0.193   1.376
  385   3HD1  ILE  52          HD13      ILE  52  -7.342  -0.833   2.085
  386    H    ASN  53           HN       ASN  53  -9.311   4.043  -0.810
  387    HA   ASN  53           HA       ASN  53 -10.113   3.901  -3.517
  388   1HB   ASN  53          HB1       ASN  53 -11.533   5.886  -2.984
  389   2HB   ASN  53          HB2       ASN  53 -10.693   6.022  -1.441
  390   1HD2  ASN  53          HD21      ASN  53 -13.313   5.614  -1.060
  391   2HD2  ASN  53          HD22      ASN  53 -13.679   3.998  -0.694
  392    H    GLU  54           HN       GLU  54  -8.074   6.264  -1.871
  393    HA   GLU  54           HA       GLU  54  -7.925   8.156  -3.987
  394   1HB   GLU  54          HB1       GLU  54  -5.773   7.537  -1.946
  395   2HB   GLU  54          HB2       GLU  54  -7.193   8.530  -1.614
  396   1HG   GLU  54          HG1       GLU  54  -6.527  10.085  -3.409
  397   2HG   GLU  54          HG2       GLU  54  -5.115   9.085  -3.757
  398    H    VAL  55           HN       VAL  55  -6.380   5.055  -3.561
  399    HA   VAL  55           HA       VAL  55  -4.630   5.598  -5.950
  400    HB   VAL  55           HB       VAL  55  -3.089   3.925  -5.026
  401   1HG1  VAL  55          HG11      VAL  55  -3.928   6.220  -3.244
  402   2HG1  VAL  55          HG12      VAL  55  -2.557   6.137  -4.350
  403   3HG1  VAL  55          HG13      VAL  55  -2.539   5.209  -2.851
  404   1HG2  VAL  55          HG21      VAL  55  -4.643   2.483  -3.857
  405   2HG2  VAL  55          HG22      VAL  55  -5.144   3.802  -2.800
  406   3HG2  VAL  55          HG23      VAL  55  -3.518   3.133  -2.665
  407    H    ASP  56           HN       ASP  56  -7.325   3.810  -4.876
  408    HA   ASP  56           HA       ASP  56  -6.742   1.411  -6.421
  409   1HB   ASP  56          HB1       ASP  56  -9.291   2.495  -5.177
  410   2HB   ASP  56          HB2       ASP  56  -8.274   1.196  -4.558
  411    H    ALA  57           HN       ALA  57  -6.200   2.348  -8.466
  412    HA   ALA  57           HA       ALA  57  -8.124   4.013  -9.887
  413   1HB   ALA  57          HB1       ALA  57  -6.518   3.815 -11.763
  414   2HB   ALA  57          HB2       ALA  57  -5.598   2.633 -10.832
  415   3HB   ALA  57          HB3       ALA  57  -5.724   4.298 -10.264
  416    H    ASP  58           HN       ASP  58  -7.656   0.554  -9.590
  417    HA   ASP  58           HA       ASP  58  -9.023   0.051 -12.150
  418   1HB   ASP  58          HB1       ASP  58  -7.265  -1.505 -11.492
  419   2HB   ASP  58          HB2       ASP  58  -8.812  -2.350 -11.501
  420    H    GLY  59           HN       GLY  59  -9.820   0.686  -8.907
  421   1HA   GLY  59          HA1       GLY  59 -12.669   0.287  -9.412
  422   2HA   GLY  59          HA2       GLY  59 -11.952   0.922  -7.932
  423    H    ASN  60           HN       ASN  60 -10.144  -1.634  -8.045
  424    HA   ASN  60           HA       ASN  60 -12.021  -3.814  -7.604
  425   1HB   ASN  60          HB1       ASN  60  -9.651  -4.117  -8.414
  426   2HB   ASN  60          HB2       ASN  60 -10.076  -5.138  -7.041
  427   1HD2  ASN  60          HD21      ASN  60  -7.477  -4.955  -7.030
  428   2HD2  ASN  60          HD22      ASN  60  -6.859  -3.737  -6.023
  429    H    GLY  61           HN       GLY  61 -10.689  -1.302  -5.591
  430   1HA   GLY  61          HA1       GLY  61 -12.215  -2.392  -3.295
  431   2HA   GLY  61          HA2       GLY  61 -11.533  -0.772  -3.430
  432    H    THR  62           HN       THR  62  -9.085  -2.626  -4.482
  433    HA   THR  62           HA       THR  62  -7.819  -2.678  -1.793
  434    HB   THR  62           HB       THR  62  -6.937  -4.979  -2.241
  435    HG1  THR  62           HG1      THR  62  -8.454  -4.554  -4.524
  436   1HG2  THR  62          HG21      THR  62  -8.972  -4.563  -0.834
  437   2HG2  THR  62          HG22      THR  62  -8.976  -6.144  -1.616
  438   3HG2  THR  62          HG23      THR  62  -9.964  -4.836  -2.267
  439    H    ILE  63           HN       ILE  63  -5.432  -3.170  -2.031
  440    HA   ILE  63           HA       ILE  63  -4.370  -1.828  -4.508
  441    HB   ILE  63           HB       ILE  63  -3.092  -2.092  -1.774
  442   1HG1  ILE  63          HG11      ILE  63  -5.185  -0.718  -1.770
  443   2HG1  ILE  63          HG12      ILE  63  -4.471   0.300  -3.022
  444   1HG2  ILE  63          HG21      ILE  63  -1.559  -0.380  -2.618
  445   2HG2  ILE  63          HG22      ILE  63  -2.425  -0.338  -4.153
  446   3HG2  ILE  63          HG23      ILE  63  -1.533  -1.783  -3.683
  447   1HD1  ILE  63          HD11      ILE  63  -4.158   1.257  -0.745
  448   2HD1  ILE  63          HD12      ILE  63  -2.620   0.882  -1.523
  449   3HD1  ILE  63          HD13      ILE  63  -3.265  -0.191  -0.281
  450    H    ASP  64           HN       ASP  64  -2.488  -2.655  -5.450
  451    HA   ASP  64           HA       ASP  64  -1.777  -5.469  -4.724
  452   1HB   ASP  64          HB1       ASP  64  -3.152  -5.543  -6.725
  453   2HB   ASP  64          HB2       ASP  64  -1.485  -5.899  -7.182
  454    H    PHE  65           HN       PHE  65   0.213  -5.481  -6.954
  455    HA   PHE  65           HA       PHE  65   2.380  -4.236  -5.461
  456   1HB   PHE  65          HB1       PHE  65   2.171  -6.003  -7.876
  457   2HB   PHE  65          HB2       PHE  65   3.099  -6.230  -6.404
  458    HD1  PHE  65           HD1      PHE  65   4.558  -3.666  -6.193
  459    HD2  PHE  65           HD2      PHE  65   3.772  -6.141  -9.615
  460    HE1  PHE  65           HE1      PHE  65   6.584  -2.771  -7.307
  461    HE2  PHE  65           HE2      PHE  65   5.798  -5.246 -10.728
  462    HZ   PHE  65           HZ       PHE  65   7.205  -3.560  -9.574
  463    HA   PRO  66           HA       PRO  66   2.851  -1.429  -9.398
  464   1HB   PRO  66          HB1       PRO  66   1.958  -2.231 -11.366
  465   2HB   PRO  66          HB2       PRO  66   0.529  -1.258 -10.968
  466   1HG   PRO  66          HG1       PRO  66   0.380  -3.914 -11.289
  467   2HG   PRO  66          HG2       PRO  66  -0.598  -3.073 -10.071
  468   1HD   PRO  66          HD1       PRO  66   1.941  -4.662  -9.713
  469   2HD   PRO  66          HD2       PRO  66   0.466  -4.662  -8.717
  470    H    GLU  67           HN       GLU  67  -0.398  -1.770  -8.015
  471    HA   GLU  67           HA       GLU  67  -0.946   1.069  -7.940
  472   1HB   GLU  67          HB1       GLU  67  -2.800   0.431  -6.445
  473   2HB   GLU  67          HB2       GLU  67  -2.132  -1.191  -6.315
  474   1HG   GLU  67          HG1       GLU  67  -2.334  -1.429  -8.795
  475   2HG   GLU  67          HG2       GLU  67  -3.071   0.170  -8.862
  476    H    PHE  68           HN       PHE  68   0.285  -1.281  -5.591
  477    HA   PHE  68           HA       PHE  68   0.585   0.559  -3.406
  478   1HB   PHE  68          HB1       PHE  68   2.051  -2.011  -4.094
  479   2HB   PHE  68          HB2       PHE  68   0.690  -1.841  -2.984
  480    HD1  PHE  68           HD1      PHE  68   0.978  -0.971  -0.750
  481    HD2  PHE  68           HD2      PHE  68   4.281  -1.139  -3.491
  482    HE1  PHE  68           HE1      PHE  68   2.550  -0.529   1.117
  483    HE2  PHE  68           HE2      PHE  68   5.852  -0.696  -1.625
  484    HZ   PHE  68           HZ       PHE  68   4.987  -0.392   0.679
  485    H    LEU  69           HN       LEU  69   2.578  -0.310  -6.155
  486    HA   LEU  69           HA       LEU  69   4.998   0.995  -5.389
  487   1HB   LEU  69          HB1       LEU  69   4.074   1.038  -8.255
  488   2HB   LEU  69          HB2       LEU  69   4.317  -0.527  -7.485
  489    HG   LEU  69           HG       LEU  69   6.620   0.057  -6.929
  490   1HD1  LEU  69          HD11      LEU  69   6.403  -0.956  -9.076
  491   2HD1  LEU  69          HD12      LEU  69   7.462   0.431  -9.322
  492   3HD1  LEU  69          HD13      LEU  69   5.767   0.523  -9.793
  493   1HD2  LEU  69          HD21      LEU  69   5.844   2.723  -8.136
  494   2HD2  LEU  69          HD22      LEU  69   7.524   2.225  -7.932
  495   3HD2  LEU  69          HD23      LEU  69   6.484   2.411  -6.522
  496    H    THR  70           HN       THR  70   2.265   2.171  -7.357
  497    HA   THR  70           HA       THR  70   3.161   4.822  -7.705
  498    HB   THR  70           HB       THR  70   0.299   3.887  -7.400
  499    HG1  THR  70           HG1      THR  70   2.127   3.165  -9.126
  500   1HG2  THR  70          HG21      THR  70   1.590   6.306  -8.678
  501   2HG2  THR  70          HG22      THR  70   0.385   6.280  -7.390
  502   3HG2  THR  70          HG23      THR  70  -0.065   5.804  -9.027
  503    H    MET  71           HN       MET  71   1.005   3.486  -5.222
  504    HA   MET  71           HA       MET  71   0.465   5.825  -3.763
  505   1HB   MET  71          HB1       MET  71   0.757   2.959  -2.822
  506   2HB   MET  71          HB2       MET  71  -0.731   3.797  -3.267
  507   1HG   MET  71          HG1       MET  71   1.029   4.316  -0.854
  508   2HG   MET  71          HG2       MET  71  -0.635   3.743  -0.863
  509   1HE   MET  71          HE1       MET  71  -0.817   5.423   0.964
  510   2HE   MET  71          HE2       MET  71  -2.350   5.469   0.096
  511   3HE   MET  71          HE3       MET  71  -1.601   6.973   0.628
  512    H    MET  72           HN       MET  72   3.109   3.484  -3.164
  513    HA   MET  72           HA       MET  72   4.252   5.000  -1.028
  514   1HB   MET  72          HB1       MET  72   6.412   3.705  -1.757
  515   2HB   MET  72          HB2       MET  72   5.333   2.877  -2.879
  516   1HG   MET  72          HG1       MET  72   4.955   3.059   0.126
  517   2HG   MET  72          HG2       MET  72   5.534   1.641  -0.746
  518   1HE   MET  72          HE1       MET  72   2.453   3.201   0.822
  519   2HE   MET  72          HE2       MET  72   3.277   1.704   1.253
  520   3HE   MET  72          HE3       MET  72   1.622   1.648   0.652
  521    H    ALA  73           HN       ALA  73   4.720   5.200  -4.517
  522    HA   ALA  73           HA       ALA  73   6.963   6.978  -4.459
  523   1HB   ALA  73          HB1       ALA  73   4.763   7.042  -6.535
  524   2HB   ALA  73          HB2       ALA  73   5.961   5.750  -6.483
  525   3HB   ALA  73          HB3       ALA  73   6.473   7.416  -6.751
  526    H    ARG  74           HN       ARG  74   3.489   7.472  -4.170
  527    HA   ARG  74           HA       ARG  74   3.517  10.338  -4.387
  528   1HB   ARG  74          HB1       ARG  74   1.293  10.158  -3.195
  529   2HB   ARG  74          HB2       ARG  74   1.575   8.422  -3.089
  530   1HG   ARG  74          HG1       ARG  74   1.707   8.261  -5.525
  531   2HG   ARG  74          HG2       ARG  74   1.563  10.011  -5.667
  532   1HD   ARG  74          HD1       ARG  74  -0.699  10.003  -4.967
  533   2HD   ARG  74          HD2       ARG  74  -0.555   8.403  -4.246
  534    HE   ARG  74           HE       ARG  74  -1.244   7.517  -6.265
  535   1HH1  ARG  74          HH11      ARG  74  -1.172   7.227  -8.487
  536   2HH1  ARG  74          HH12      ARG  74  -0.416   8.425  -9.483
  537   1HH2  ARG  74          HH21      ARG  74   0.410  10.497  -6.837
  538   2HH2  ARG  74          HH22      ARG  74   0.485  10.265  -8.550
  539    H    LYS  75           HN       LYS  75   4.194   8.133  -1.744
  540    HA   LYS  75           HA       LYS  75   3.925  10.163   0.327
  541   1HB   LYS  75          HB1       LYS  75   5.077   8.417   1.741
  542   2HB   LYS  75          HB2       LYS  75   5.163   7.399   0.303
  543   1HG   LYS  75          HG1       LYS  75   2.665   7.626   0.087
  544   2HG   LYS  75          HG2       LYS  75   2.654   8.468   1.635
  545   1HD   LYS  75          HD1       LYS  75   3.638   5.638   1.141
  546   2HD   LYS  75          HD2       LYS  75   2.144   6.087   1.962
  547   1HE   LYS  75          HE1       LYS  75   4.988   6.394   2.903
  548   2HE   LYS  75          HE2       LYS  75   3.605   5.711   3.756
  549   1HZ   LYS  75          HZ1       LYS  75   2.719   8.158   3.420
  550   2HZ   LYS  75          HZ2       LYS  75   4.382   8.502   3.410
  551   3HZ   LYS  75          HZ3       LYS  75   3.680   7.727   4.749
  552    H    MET  76           HN       MET  76   6.701   8.571  -1.250
  553    HA   MET  76           HA       MET  76   8.305  10.928  -1.277
  554   1HB   MET  76          HB1       MET  76   8.729   9.035   1.053
  555   2HB   MET  76          HB2       MET  76   8.488  10.779   1.112
  556   1HG   MET  76          HG1       MET  76  10.925   9.284   0.115
  557   2HG   MET  76          HG2       MET  76  10.827  10.412   1.465
  558   1HE   MET  76          HE1       MET  76  12.937  10.452  -0.399
  559   2HE   MET  76          HE2       MET  76  12.943  12.034   0.378
  560   3HE   MET  76          HE3       MET  76  13.076  11.921  -1.375
  Start of MODEL    3
    1    H    ALA   1           H        ALA   1  34.723  27.057  18.993
    2    HA   ALA   1           HA       ALA   1  35.597  25.911  16.398
    3   1HB   ALA   1          HB1       ALA   1  36.244  24.767  18.600
    4   2HB   ALA   1          HB2       ALA   1  35.338  23.786  17.448
    5   3HB   ALA   1          HB3       ALA   1  34.519  24.492  18.842
    6    H    ASP   2           HN       ASP   2  33.702  24.151  15.925
    7    HA   ASP   2           HA       ASP   2  31.321  25.785  15.454
    8   1HB   ASP   2          HB1       ASP   2  30.481  23.705  14.320
    9   2HB   ASP   2          HB2       ASP   2  31.969  22.894  14.807
   10    H    GLN   3           HN       GLN   3  32.361  24.220  18.128
   11    HA   GLN   3           HA       GLN   3  29.987  22.744  18.895
   12   1HB   GLN   3          HB1       GLN   3  31.055  22.975  21.230
   13   2HB   GLN   3          HB2       GLN   3  32.387  23.786  20.406
   14   1HG   GLN   3          HG1       GLN   3  31.356  21.020  19.701
   15   2HG   GLN   3          HG2       GLN   3  32.776  21.333  20.699
   16   1HE2  GLN   3          HE21      GLN   3  31.515  21.439  17.401
   17   2HE2  GLN   3          HE22      GLN   3  33.000  21.773  16.650
   18    H    LEU   4           HN       LEU   4  28.183  23.494  19.989
   19    HA   LEU   4           HA       LEU   4  27.772  26.383  20.106
   20   1HB   LEU   4          HB1       LEU   4  25.532  25.869  20.760
   21   2HB   LEU   4          HB2       LEU   4  25.986  24.252  21.293
   22    HG   LEU   4           HG       LEU   4  26.363  23.521  19.038
   23   1HD1  LEU   4          HD11      LEU   4  23.993  23.658  19.763
   24   2HD1  LEU   4          HD12      LEU   4  24.160  23.888  18.022
   25   3HD1  LEU   4          HD13      LEU   4  23.891  25.278  19.074
   26   1HD2  LEU   4          HD21      LEU   4  27.475  25.363  18.017
   27   2HD2  LEU   4          HD22      LEU   4  26.147  26.465  18.378
   28   3HD2  LEU   4          HD23      LEU   4  25.951  25.224  17.140
   29    H    THR   5           HN       THR   5  27.813  27.672  21.944
   30    HA   THR   5           HA       THR   5  29.055  26.490  24.349
   31    HB   THR   5           HB       THR   5  30.075  28.535  23.920
   32    HG1  THR   5           HG1      THR   5  28.098  29.848  25.279
   33   1HG2  THR   5          HG21      THR   5  27.345  29.420  22.993
   34   2HG2  THR   5          HG22      THR   5  28.827  29.288  22.049
   35   3HG2  THR   5          HG23      THR   5  28.658  30.567  23.251
   36    H    GLU   6           HN       GLU   6  28.068  27.507  26.515
   37    HA   GLU   6           HA       GLU   6  25.442  26.422  26.829
   38   1HB   GLU   6          HB1       GLU   6  26.738  28.525  28.590
   39   2HB   GLU   6          HB2       GLU   6  27.124  26.806  28.679
   40   1HG   GLU   6          HG1       GLU   6  24.318  27.917  28.982
   41   2HG   GLU   6          HG2       GLU   6  25.382  27.562  30.343
   42    H    GLU   7           HN       GLU   7  26.549  29.740  26.190
   43    HA   GLU   7           HA       GLU   7  23.921  30.912  26.508
   44   1HB   GLU   7          HB1       GLU   7  26.082  32.056  24.730
   45   2HB   GLU   7          HB2       GLU   7  26.254  32.079  26.485
   46   1HG   GLU   7          HG1       GLU   7  24.275  33.401  26.751
   47   2HG   GLU   7          HG2       GLU   7  23.801  33.153  25.071
   48    H    GLN   8           HN       GLN   8  25.838  30.205  23.534
   49    HA   GLN   8           HA       GLN   8  23.871  30.764  21.643
   50   1HB   GLN   8          HB1       GLN   8  25.782  28.405  21.568
   51   2HB   GLN   8          HB2       GLN   8  26.180  30.050  21.073
   52   1HG   GLN   8          HG1       GLN   8  23.993  28.349  19.835
   53   2HG   GLN   8          HG2       GLN   8  25.590  28.608  19.138
   54   1HE2  GLN   8          HE21      GLN   8  22.623  29.563  18.485
   55   2HE2  GLN   8          HE22      GLN   8  22.852  31.204  18.118
   56    H    ILE   9           HN       ILE   9  24.271  27.730  23.486
   57    HA   ILE   9           HA       ILE   9  22.106  26.326  22.288
   58    HB   ILE   9           HB       ILE   9  23.270  26.185  25.084
   59   1HG1  ILE   9          HG11      ILE   9  24.677  25.540  23.070
   60   2HG1  ILE   9          HG12      ILE   9  23.498  24.270  22.744
   61   1HG2  ILE   9          HG21      ILE   9  22.095  23.914  25.103
   62   2HG2  ILE   9          HG22      ILE   9  21.155  24.495  23.729
   63   3HG2  ILE   9          HG23      ILE   9  21.045  25.319  25.284
   64   1HD1  ILE   9          HD11      ILE   9  25.190  24.588  25.241
   65   2HD1  ILE   9          HD12      ILE   9  25.314  23.308  24.034
   66   3HD1  ILE   9          HD13      ILE   9  23.892  23.406  25.074
   67    H    ALA  10           HN       ALA  10  22.236  28.450  25.146
   68    HA   ALA  10           HA       ALA  10  19.550  28.311  25.947
   69   1HB   ALA  10          HB1       ALA  10  21.398  29.584  27.108
   70   2HB   ALA  10          HB2       ALA  10  19.875  30.465  26.992
   71   3HB   ALA  10          HB3       ALA  10  21.202  30.850  25.896
   72    H    GLU  11           HN       GLU  11  21.010  30.458  23.516
   73    HA   GLU  11           HA       GLU  11  18.662  31.874  22.746
   74   1HB   GLU  11          HB1       GLU  11  19.847  31.989  20.465
   75   2HB   GLU  11          HB2       GLU  11  21.134  31.043  21.210
   76   1HG   GLU  11          HG1       GLU  11  20.099  33.658  22.348
   77   2HG   GLU  11          HG2       GLU  11  21.498  33.542  21.282
   78    H    PHE  12           HN       PHE  12  19.949  28.781  21.487
   79    HA   PHE  12           HA       PHE  12  17.711  28.409  19.690
   80   1HB   PHE  12          HB1       PHE  12  18.473  25.942  19.822
   81   2HB   PHE  12          HB2       PHE  12  19.767  26.524  20.865
   82    HD1  PHE  12           HD1      PHE  12  18.135  27.511  17.617
   83    HD2  PHE  12           HD2      PHE  12  21.800  27.010  19.804
   84    HE1  PHE  12           HE1      PHE  12  19.421  28.190  15.614
   85    HE2  PHE  12           HE2      PHE  12  23.085  27.689  17.793
   86    HZ   PHE  12           HZ       PHE  12  21.897  28.279  15.701
   87    H    LYS  13           HN       LYS  13  18.322  27.462  23.061
   88    HA   LYS  13           HA       LYS  13  16.034  25.794  23.365
   89   1HB   LYS  13          HB1       LYS  13  17.213  27.645  25.463
   90   2HB   LYS  13          HB2       LYS  13  17.876  26.060  25.061
   91   1HG   LYS  13          HG1       LYS  13  15.577  25.101  25.567
   92   2HG   LYS  13          HG2       LYS  13  15.144  26.683  26.214
   93   1HD   LYS  13          HD1       LYS  13  17.507  25.029  27.159
   94   2HD   LYS  13          HD2       LYS  13  15.944  25.082  27.972
   95   1HE   LYS  13          HE1       LYS  13  16.285  27.656  28.009
   96   2HE   LYS  13          HE2       LYS  13  17.973  27.294  27.647
   97   1HZ   LYS  13          HZ1       LYS  13  18.250  26.934  29.799
   98   2HZ   LYS  13          HZ2       LYS  13  17.246  25.569  29.669
   99   3HZ   LYS  13          HZ3       LYS  13  16.589  27.073  30.109
  100    H    GLU  14           HN       GLU  14  16.417  29.316  23.848
  101    HA   GLU  14           HA       GLU  14  13.703  29.842  24.594
  102   1HB   GLU  14          HB1       GLU  14  14.183  32.159  23.811
  103   2HB   GLU  14          HB2       GLU  14  15.696  31.586  23.110
  104   1HG   GLU  14          HG1       GLU  14  16.445  30.853  25.350
  105   2HG   GLU  14          HG2       GLU  14  14.929  31.427  26.044
  106    H    ALA  15           HN       ALA  15  15.323  29.589  21.458
  107    HA   ALA  15           HA       ALA  15  13.009  30.346  19.897
  108   1HB   ALA  15          HB1       ALA  15  15.504  30.186  19.149
  109   2HB   ALA  15          HB2       ALA  15  14.262  29.674  18.007
  110   3HB   ALA  15          HB3       ALA  15  15.168  28.470  18.924
  111    H    PHE  16           HN       PHE  16  14.200  27.266  21.178
  112    HA   PHE  16           HA       PHE  16  12.391  25.564  19.798
  113   1HB   PHE  16          HB1       PHE  16  13.531  25.295  22.594
  114   2HB   PHE  16          HB2       PHE  16  14.281  24.714  21.104
  115    HD1  PHE  16           HD1      PHE  16  11.651  24.156  23.591
  116    HD2  PHE  16           HD2      PHE  16  13.272  22.841  19.840
  117    HE1  PHE  16           HE1      PHE  16  10.334  22.063  23.757
  118    HE2  PHE  16           HE2      PHE  16  11.953  20.748  20.003
  119    HZ   PHE  16           HZ       PHE  16  10.484  20.358  21.963
  120    H    SER  17           HN       SER  17  12.101  27.237  22.928
  121    HA   SER  17           HA       SER  17   9.501  26.274  23.582
  122   1HB   SER  17          HB1       SER  17  11.070  27.431  25.161
  123   2HB   SER  17          HB2       SER  17   9.431  28.075  25.203
  124    HG   SER  17           HG       SER  17  11.344  29.580  24.987
  125    H    LEU  18           HN       LEU  18  10.532  29.163  21.773
  126    HA   LEU  18           HA       LEU  18   7.941  30.323  21.500
  127   1HB   LEU  18          HB1       LEU  18   8.910  31.406  19.437
  128   2HB   LEU  18          HB2       LEU  18  10.357  30.422  19.675
  129    HG   LEU  18           HG       LEU  18  10.595  31.408  21.962
  130   1HD1  LEU  18          HD11      LEU  18  11.550  33.478  21.193
  131   2HD1  LEU  18          HD12      LEU  18  10.464  33.530  19.804
  132   3HD1  LEU  18          HD13      LEU  18  11.734  32.310  19.885
  133   1HD2  LEU  18          HD21      LEU  18   8.527  32.215  22.672
  134   2HD2  LEU  18          HD22      LEU  18   8.100  32.844  21.081
  135   3HD2  LEU  18          HD23      LEU  18   9.248  33.714  22.096
  136    H    PHE  19           HN       PHE  19   9.593  27.818  19.625
  137    HA   PHE  19           HA       PHE  19   7.423  27.663  17.665
  138   1HB   PHE  19          HB1       PHE  19   8.701  25.930  16.636
  139   2HB   PHE  19          HB2       PHE  19   9.612  25.626  18.111
  140    HD1  PHE  19           HD1      PHE  19   8.795  28.919  16.442
  141    HD2  PHE  19           HD2      PHE  19  11.845  26.115  17.595
  142    HE1  PHE  19           HE1      PHE  19  10.535  30.522  15.744
  143    HE2  PHE  19           HE2      PHE  19  13.581  27.730  16.888
  144    HZ   PHE  19           HZ       PHE  19  12.930  29.932  15.965
  145    H    ASP  20           HN       ASP  20   8.334  25.970  20.620
  146    HA   ASP  20           HA       ASP  20   6.349  23.859  20.191
  147   1HB   ASP  20          HB1       ASP  20   7.547  24.568  22.875
  148   2HB   ASP  20          HB2       ASP  20   8.519  23.759  21.647
  149    H    LYS  21           HN       LYS  21   4.567  25.387  19.746
  150    HA   LYS  21           HA       LYS  21   3.607  27.256  21.683
  151   1HB   LYS  21          HB1       LYS  21   1.516  27.208  20.368
  152   2HB   LYS  21          HB2       LYS  21   2.097  25.783  19.507
  153   1HG   LYS  21          HG1       LYS  21   3.977  27.044  18.606
  154   2HG   LYS  21          HG2       LYS  21   3.532  28.456  19.566
  155   1HD   LYS  21          HD1       LYS  21   1.457  28.705  18.334
  156   2HD   LYS  21          HD2       LYS  21   1.736  27.188  17.476
  157   1HE   LYS  21          HE1       LYS  21   2.336  29.409  16.265
  158   2HE   LYS  21          HE2       LYS  21   3.511  28.095  16.216
  159   1HZ   LYS  21          HZ1       LYS  21   3.554  30.242  18.259
  160   2HZ   LYS  21          HZ2       LYS  21   4.437  30.317  16.809
  161   3HZ   LYS  21          HZ3       LYS  21   4.760  29.093  17.942
  162    H    ASP  22           HN       ASP  22   3.101  23.775  21.340
  163    HA   ASP  22           HA       ASP  22   0.872  23.779  23.246
  164   1HB   ASP  22          HB1       ASP  22   0.933  22.098  21.460
  165   2HB   ASP  22          HB2       ASP  22   1.014  21.315  23.038
  166    H    GLY  23           HN       GLY  23   4.316  23.664  23.409
  167   1HA   GLY  23          HA1       GLY  23   4.272  23.701  26.290
  168   2HA   GLY  23          HA2       GLY  23   5.720  23.596  25.292
  169    H    ASP  24           HN       ASP  24   4.337  21.116  23.984
  170    HA   ASP  24           HA       ASP  24   4.460  19.203  26.231
  171   1HB   ASP  24          HB1       ASP  24   2.708  18.929  24.499
  172   2HB   ASP  24          HB2       ASP  24   3.776  17.525  24.551
  173    H    GLY  25           HN       GLY  25   6.767  20.662  24.419
  174   1HA   GLY  25          HA1       GLY  25   8.765  18.732  25.178
  175   2HA   GLY  25          HA2       GLY  25   9.043  20.156  24.178
  176    H    THR  26           HN       THR  26   6.921  19.239  22.221
  177    HA   THR  26           HA       THR  26   8.673  17.357  20.745
  178    HB   THR  26           HB       THR  26   6.587  16.011  20.151
  179    HG1  THR  26           HG1      THR  26   5.223  16.359  22.303
  180   1HG2  THR  26          HG21      THR  26   7.454  16.001  23.055
  181   2HG2  THR  26          HG22      THR  26   8.355  15.251  21.737
  182   3HG2  THR  26          HG23      THR  26   6.754  14.649  22.164
  183    H    ILE  27           HN       ILE  27   8.973  19.052  19.076
  184    HA   ILE  27           HA       ILE  27   6.592  20.462  18.121
  185    HB   ILE  27           HB       ILE  27   8.300  21.351  16.373
  186   1HG1  ILE  27          HG11      ILE  27   9.832  19.378  16.865
  187   2HG1  ILE  27          HG12      ILE  27  10.245  20.184  18.372
  188   1HG2  ILE  27          HG21      ILE  27   9.449  22.724  18.240
  189   2HG2  ILE  27          HG22      ILE  27   8.470  21.778  19.362
  190   3HG2  ILE  27          HG23      ILE  27   7.691  22.798  18.153
  191   1HD1  ILE  27          HD11      ILE  27  11.905  20.882  16.808
  192   2HD1  ILE  27          HD12      ILE  27  10.786  22.239  16.932
  193   3HD1  ILE  27          HD13      ILE  27  10.707  21.154  15.543
  194    H    THR  28           HN       THR  28   5.287  19.743  16.569
  195    HA   THR  28           HA       THR  28   5.997  17.338  14.984
  196    HB   THR  28           HB       THR  28   3.551  17.542  14.299
  197    HG1  THR  28           HG1      THR  28   2.963  19.103  16.428
  198   1HG2  THR  28          HG21      THR  28   2.763  17.027  16.732
  199   2HG2  THR  28          HG22      THR  28   4.471  17.172  17.145
  200   3HG2  THR  28          HG23      THR  28   3.944  15.956  15.982
  201    H    THR  29           HN       THR  29   4.743  17.571  12.658
  202    HA   THR  29           HA       THR  29   6.307  19.474  11.135
  203    HB   THR  29           HB       THR  29   5.407  18.428   9.265
  204    HG1  THR  29           HG1      THR  29   3.343  18.743   9.133
  205   1HG2  THR  29          HG21      THR  29   6.190  16.720  11.079
  206   2HG2  THR  29          HG22      THR  29   5.295  16.120   9.684
  207   3HG2  THR  29          HG23      THR  29   4.473  16.345  11.228
  208    H    LYS  30           HN       LYS  30   3.002  19.393  12.402
  209    HA   LYS  30           HA       LYS  30   2.004  21.629  10.940
  210   1HB   LYS  30          HB1       LYS  30   0.230  21.710  12.563
  211   2HB   LYS  30          HB2       LYS  30   1.221  20.898  13.774
  212   1HG   LYS  30          HG1       LYS  30  -0.373  19.312  12.796
  213   2HG   LYS  30          HG2       LYS  30   1.270  18.868  12.337
  214   1HD   LYS  30          HD1       LYS  30   0.994  19.701  10.131
  215   2HD   LYS  30          HD2       LYS  30  -0.443  20.625  10.570
  216   1HE   LYS  30          HE1       LYS  30  -1.761  18.640  10.780
  217   2HE   LYS  30          HE2       LYS  30  -0.334  17.605  10.735
  218   1HZ   LYS  30          HZ1       LYS  30   0.070  18.466   8.453
  219   2HZ   LYS  30          HZ2       LYS  30  -1.443  19.236   8.520
  220   3HZ   LYS  30          HZ3       LYS  30  -1.344  17.542   8.604
  221    H    GLU  31           HN       GLU  31   3.758  21.437  14.031
  222    HA   GLU  31           HA       GLU  31   3.579  24.286  14.506
  223   1HB   GLU  31          HB1       GLU  31   5.457  23.819  16.158
  224   2HB   GLU  31          HB2       GLU  31   5.399  22.134  15.628
  225   1HG   GLU  31          HG1       GLU  31   3.028  22.005  16.285
  226   2HG   GLU  31          HG2       GLU  31   3.070  23.693  16.793
  227    H    LEU  32           HN       LEU  32   5.970  22.115  13.061
  228    HA   LEU  32           HA       LEU  32   7.997  24.075  12.644
  229   1HB   LEU  32          HB1       LEU  32   7.657  21.802  10.698
  230   2HB   LEU  32          HB2       LEU  32   7.945  21.405  12.389
  231    HG   LEU  32           HG       LEU  32  10.015  22.660  12.402
  232   1HD1  LEU  32          HD11      LEU  32   9.901  21.053   9.834
  233   2HD1  LEU  32          HD12      LEU  32   9.983  20.330  11.441
  234   3HD1  LEU  32          HD13      LEU  32  11.313  21.330  10.854
  235   1HD2  LEU  32          HD21      LEU  32   9.062  23.564   9.681
  236   2HD2  LEU  32          HD22      LEU  32  10.773  23.620  10.106
  237   3HD2  LEU  32          HD23      LEU  32   9.602  24.545  11.042
  238    H    GLY  33           HN       GLY  33   5.206  23.062  10.716
  239   1HA   GLY  33          HA1       GLY  33   4.251  23.989   8.793
  240   2HA   GLY  33          HA2       GLY  33   5.850  24.601   8.361
  241    H    THR  34           HN       THR  34   3.950  25.263  11.291
  242    HA   THR  34           HA       THR  34   2.915  27.795  10.557
  243    HB   THR  34           HB       THR  34   3.745  26.697  13.253
  244    HG1  THR  34           HG1      THR  34   1.134  27.186  12.745
  245   1HG2  THR  34          HG21      THR  34   3.782  29.057  13.554
  246   2HG2  THR  34          HG22      THR  34   2.174  28.555  14.077
  247   3HG2  THR  34          HG23      THR  34   2.396  29.291  12.490
  248    H    VAL  35           HN       VAL  35   5.963  26.958  12.205
  249    HA   VAL  35           HA       VAL  35   6.964  29.641  12.437
  250    HB   VAL  35           HB       VAL  35   8.419  26.991  12.314
  251   1HG1  VAL  35          HG11      VAL  35  10.163  28.338  13.607
  252   2HG1  VAL  35          HG12      VAL  35   9.294  29.782  13.089
  253   3HG1  VAL  35          HG13      VAL  35  10.023  28.714  11.890
  254   1HG2  VAL  35          HG21      VAL  35   8.446  27.300  14.798
  255   2HG2  VAL  35          HG22      VAL  35   6.827  27.073  14.145
  256   3HG2  VAL  35          HG23      VAL  35   7.377  28.685  14.600
  257    H    MET  36           HN       MET  36   8.141  27.061  10.252
  258    HA   MET  36           HA       MET  36   9.786  28.648   8.658
  259   1HB   MET  36          HB1       MET  36   9.188  26.980   6.787
  260   2HB   MET  36          HB2       MET  36   8.104  26.237   7.957
  261   1HG   MET  36          HG1       MET  36  10.133  25.032   8.203
  262   2HG   MET  36          HG2       MET  36  10.169  26.193   9.529
  263   1HE   MET  36          HE1       MET  36  12.569  24.857   8.991
  264   2HE   MET  36          HE2       MET  36  13.793  25.548   7.928
  265   3HE   MET  36          HE3       MET  36  12.495  24.570   7.247
  266    H    ARG  37           HN       ARG  37   6.282  28.210   8.412
  267    HA   ARG  37           HA       ARG  37   5.955  29.704   5.975
  268   1HB   ARG  37          HB1       ARG  37   3.956  29.375   8.231
  269   2HB   ARG  37          HB2       ARG  37   4.237  28.162   6.981
  270   1HG   ARG  37          HG1       ARG  37   3.586  29.762   5.246
  271   2HG   ARG  37          HG2       ARG  37   3.390  31.029   6.459
  272   1HD   ARG  37          HD1       ARG  37   1.217  29.989   5.824
  273   2HD   ARG  37          HD2       ARG  37   1.591  29.755   7.531
  274    HE   ARG  37           HE       ARG  37   2.523  27.547   5.883
  275   1HH1  ARG  37          HH11      ARG  37   1.430  25.588   6.156
  276   2HH1  ARG  37          HH12      ARG  37  -0.103  25.572   6.962
  277   1HH2  ARG  37          HH21      ARG  37  -0.146  28.995   7.516
  278   2HH2  ARG  37          HH22      ARG  37  -0.996  27.501   7.731
  279    H    SER  38           HN       SER  38   6.016  30.594   9.402
  280    HA   SER  38           HA       SER  38   5.183  33.321   9.019
  281   1HB   SER  38          HB1       SER  38   6.916  32.159  11.221
  282   2HB   SER  38          HB2       SER  38   5.154  32.155  11.219
  283    HG   SER  38           HG       SER  38   6.168  34.613  10.685
  284    H    LEU  39           HN       LEU  39   8.310  31.712   8.793
  285    HA   LEU  39           HA       LEU  39   9.903  34.110   8.882
  286   1HB   LEU  39          HB1       LEU  39  11.705  32.717   7.989
  287   2HB   LEU  39          HB2       LEU  39  10.544  31.471   7.535
  288    HG   LEU  39           HG       LEU  39   9.918  31.230   9.937
  289   1HD1  LEU  39          HD11      LEU  39  12.910  30.952   9.602
  290   2HD1  LEU  39          HD12      LEU  39  11.770  29.897   8.767
  291   3HD1  LEU  39          HD13      LEU  39  11.820  29.922  10.529
  292   1HD2  LEU  39          HD21      LEU  39  10.421  33.276  10.979
  293   2HD2  LEU  39          HD22      LEU  39  12.005  33.393  10.213
  294   3HD2  LEU  39          HD23      LEU  39  11.743  32.252  11.531
  295    H    GLY  40           HN       GLY  40   8.583  32.237   6.137
  296   1HA   GLY  40          HA1       GLY  40   9.515  34.387   4.286
  297   2HA   GLY  40          HA2       GLY  40   7.788  34.040   4.370
  298    H    GLN  41           HN       GLN  41   8.987  31.120   4.956
  299    HA   GLN  41           HA       GLN  41   9.296  30.396   2.052
  300   1HB   GLN  41          HB1       GLN  41  11.353  29.820   3.064
  301   2HB   GLN  41          HB2       GLN  41  10.447  28.307   3.068
  302   1HG   GLN  41          HG1       GLN  41   9.730  28.783   5.403
  303   2HG   GLN  41          HG2       GLN  41  10.718  30.244   5.389
  304   1HE2  GLN  41          HE21      GLN  41  12.503  29.732   6.697
  305   2HE2  GLN  41          HE22      GLN  41  13.460  28.343   6.515
  306    H    ASN  42           HN       ASN  42   8.002  28.717   1.297
  307    HA   ASN  42           HA       ASN  42   5.856  27.772   3.167
  308   1HB   ASN  42          HB1       ASN  42   5.784  27.824   0.148
  309   2HB   ASN  42          HB2       ASN  42   5.219  29.160   1.152
  310   1HD2  ASN  42          HD21      ASN  42   4.690  25.653   0.560
  311   2HD2  ASN  42          HD22      ASN  42   3.074  25.653   1.078
  312    HA   PRO  43           HA       PRO  43   8.127  23.916   2.049
  313   1HB   PRO  43          HB1       PRO  43   9.208  23.996   4.113
  314   2HB   PRO  43          HB2       PRO  43   8.053  22.691   4.459
  315   1HG   PRO  43          HG1       PRO  43   8.185  24.903   5.973
  316   2HG   PRO  43          HG2       PRO  43   6.643  24.098   5.634
  317   1HD   PRO  43          HD1       PRO  43   7.684  26.696   4.602
  318   2HD   PRO  43          HD2       PRO  43   6.005  26.127   4.741
  319    H    THR  44           HN       THR  44   7.192  21.964   1.398
  320    HA   THR  44           HA       THR  44   4.269  21.728   1.687
  321    HB   THR  44           HB       THR  44   4.396  20.100  -0.025
  322    HG1  THR  44           HG1      THR  44   6.777  19.575   1.182
  323   1HG2  THR  44          HG21      THR  44   5.750  21.137  -1.744
  324   2HG2  THR  44          HG22      THR  44   6.773  21.907  -0.531
  325   3HG2  THR  44          HG23      THR  44   5.093  22.411  -0.717
  326    H    GLU  45           HN       GLU  45   3.369  19.517   2.267
  327    HA   GLU  45           HA       GLU  45   4.238  18.739   4.867
  328   1HB   GLU  45          HB1       GLU  45   2.869  16.547   4.180
  329   2HB   GLU  45          HB2       GLU  45   2.370  17.560   2.824
  330   1HG   GLU  45          HG1       GLU  45   0.741  17.868   4.563
  331   2HG   GLU  45          HG2       GLU  45   1.722  19.333   4.513
  332    H    ALA  46           HN       ALA  46   4.902  17.353   1.666
  333    HA   ALA  46           HA       ALA  46   6.370  15.085   2.583
  334   1HB   ALA  46          HB1       ALA  46   7.318  15.032   0.299
  335   2HB   ALA  46          HB2       ALA  46   6.682  16.650   0.003
  336   3HB   ALA  46          HB3       ALA  46   5.576  15.301   0.261
  337    H    GLU  47           HN       GLU  47   7.343  18.418   1.893
  338    HA   GLU  47           HA       GLU  47  10.176  17.924   2.222
  339   1HB   GLU  47          HB1       GLU  47  10.273  20.444   2.508
  340   2HB   GLU  47          HB2       GLU  47   8.515  20.457   2.359
  341   1HG   GLU  47          HG1       GLU  47   8.677  19.418   0.141
  342   2HG   GLU  47          HG2       GLU  47  10.432  19.329   0.295
  343    H    LEU  48           HN       LEU  48   7.606  19.016   4.450
  344    HA   LEU  48           HA       LEU  48   9.362  19.514   6.657
  345   1HB   LEU  48          HB1       LEU  48   7.316  19.214   8.056
  346   2HB   LEU  48          HB2       LEU  48   6.464  18.617   6.635
  347    HG   LEU  48           HG       LEU  48   6.974  20.792   5.488
  348   1HD1  LEU  48          HD11      LEU  48   5.385  20.753   8.060
  349   2HD1  LEU  48          HD12      LEU  48   4.790  20.558   6.411
  350   3HD1  LEU  48          HD13      LEU  48   5.363  22.133   6.962
  351   1HD2  LEU  48          HD21      LEU  48   8.816  21.758   6.565
  352   2HD2  LEU  48          HD22      LEU  48   8.230  21.344   8.176
  353   3HD2  LEU  48          HD23      LEU  48   7.495  22.673   7.284
  354    H    GLN  49           HN       GLN  49   7.644  16.611   5.555
  355    HA   GLN  49           HA       GLN  49   8.379  14.932   7.734
  356   1HB   GLN  49          HB1       GLN  49   7.906  14.133   4.846
  357   2HB   GLN  49          HB2       GLN  49   6.634  14.367   6.047
  358   1HG   GLN  49          HG1       GLN  49   8.903  12.371   6.327
  359   2HG   GLN  49          HG2       GLN  49   7.281  11.968   5.770
  360   1HE2  GLN  49          HE21      GLN  49   5.598  13.295   7.470
  361   2HE2  GLN  49          HE22      GLN  49   5.880  12.857   9.086
  362    H    ASP  50           HN       ASP  50   9.963  15.516   4.596
  363    HA   ASP  50           HA       ASP  50  12.161  13.717   5.081
  364   1HB   ASP  50          HB1       ASP  50  12.105  16.166   3.292
  365   2HB   ASP  50          HB2       ASP  50  11.507  14.575   2.820
  366    H    MET  51           HN       MET  51  11.787  17.253   5.478
  367    HA   MET  51           HA       MET  51  14.419  17.787   6.395
  368   1HB   MET  51          HB1       MET  51  13.325  19.727   7.618
  369   2HB   MET  51          HB2       MET  51  11.770  19.066   7.126
  370   1HG   MET  51          HG1       MET  51  12.744  19.135   4.714
  371   2HG   MET  51          HG2       MET  51  13.973  20.199   5.396
  372   1HE   MET  51          HE1       MET  51  12.586  20.973   3.157
  373   2HE   MET  51          HE2       MET  51  13.144  22.487   3.863
  374   3HE   MET  51          HE3       MET  51  11.477  22.342   3.313
  375    H    ILE  52           HN       ILE  52  11.517  16.727   8.164
  376    HA   ILE  52           HA       ILE  52  12.832  16.709  10.738
  377    HB   ILE  52           HB       ILE  52  10.286  15.440   9.699
  378   1HG1  ILE  52          HG11      ILE  52  10.480  17.946  10.050
  379   2HG1  ILE  52          HG12      ILE  52  10.735  17.613  11.761
  380   1HG2  ILE  52          HG21      ILE  52  10.944  13.943  11.425
  381   2HG2  ILE  52          HG22      ILE  52   9.853  15.075  12.221
  382   3HG2  ILE  52          HG23      ILE  52  11.596  15.244  12.419
  383   1HD1  ILE  52          HD11      ILE  52   8.290  16.999  10.094
  384   2HD1  ILE  52          HD12      ILE  52   8.395  18.032  11.519
  385   3HD1  ILE  52          HD13      ILE  52   8.554  16.283  11.684
  386    H    ASN  53           HN       ASN  53  12.066  14.176   8.357
  387    HA   ASN  53           HA       ASN  53  13.087  11.980   9.814
  388   1HB   ASN  53          HB1       ASN  53  13.314  10.868   7.608
  389   2HB   ASN  53          HB2       ASN  53  13.051  12.423   6.818
  390   1HD2  ASN  53          HD21      ASN  53  11.178  12.655   9.511
  391   2HD2  ASN  53          HD22      ASN  53   9.717  12.025   8.919
  392    H    GLU  54           HN       GLU  54  14.759  14.311   7.759
  393    HA   GLU  54           HA       GLU  54  17.245  12.918   7.640
  394   1HB   GLU  54          HB1       GLU  54  18.178  15.250   7.149
  395   2HB   GLU  54          HB2       GLU  54  16.529  15.841   7.355
  396   1HG   GLU  54          HG1       GLU  54  16.831  15.423   5.005
  397   2HG   GLU  54          HG2       GLU  54  15.817  14.122   5.627
  398    H    VAL  55           HN       VAL  55  15.738  14.695  10.201
  399    HA   VAL  55           HA       VAL  55  18.325  14.705  11.741
  400    HB   VAL  55           HB       VAL  55  17.422  16.655  12.956
  401   1HG1  VAL  55          HG11      VAL  55  17.387  18.232  10.918
  402   2HG1  VAL  55          HG12      VAL  55  17.584  16.780   9.938
  403   3HG1  VAL  55          HG13      VAL  55  18.820  17.223  11.117
  404   1HG2  VAL  55          HG21      VAL  55  15.380  17.765  12.010
  405   2HG2  VAL  55          HG22      VAL  55  15.037  16.197  12.740
  406   3HG2  VAL  55          HG23      VAL  55  15.133  16.350  10.987
  407    H    ASP  56           HN       ASP  56  15.167  13.380  11.609
  408    HA   ASP  56           HA       ASP  56  14.889  13.134  14.520
  409   1HB   ASP  56          HB1       ASP  56  13.398  11.536  12.416
  410   2HB   ASP  56          HB2       ASP  56  12.936  13.180  12.857
  411    H    ALA  57           HN       ALA  57  16.727  12.045  15.230
  412    HA   ALA  57           HA       ALA  57  17.614   9.587  13.913
  413   1HB   ALA  57          HB1       ALA  57  19.366   9.568  15.599
  414   2HB   ALA  57          HB2       ALA  57  18.521  10.801  16.535
  415   3HB   ALA  57          HB3       ALA  57  19.197  11.202  14.955
  416    H    ASP  58           HN       ASP  58  15.339  10.282  16.475
  417    HA   ASP  58           HA       ASP  58  15.715   7.631  17.690
  418   1HB   ASP  58          HB1       ASP  58  15.058   9.583  19.084
  419   2HB   ASP  58          HB2       ASP  58  13.874   8.280  19.178
  420    H    GLY  59           HN       GLY  59  13.967   9.057  15.118
  421   1HA   GLY  59          HA1       GLY  59  12.690   6.516  14.450
  422   2HA   GLY  59          HA2       GLY  59  12.618   8.001  13.504
  423    H    ASN  60           HN       ASN  60  11.732   9.293  16.259
  424    HA   ASN  60           HA       ASN  60   9.138   8.087  16.743
  425   1HB   ASN  60          HB1       ASN  60  10.522   9.520  18.376
  426   2HB   ASN  60          HB2       ASN  60   8.789   9.803  18.334
  427   1HD2  ASN  60          HD21      ASN  60   9.096  12.039  19.068
  428   2HD2  ASN  60          HD22      ASN  60   9.713  13.227  18.025
  429    H    GLY  61           HN       GLY  61  10.298  10.666  14.620
  430   1HA   GLY  61          HA1       GLY  61   7.540  10.804  13.447
  431   2HA   GLY  61          HA2       GLY  61   9.032  11.102  12.564
  432    H    THR  62           HN       THR  62   9.651  12.587  15.380
  433    HA   THR  62           HA       THR  62   8.779  15.216  14.300
  434    HB   THR  62           HB       THR  62   7.909  15.932  16.487
  435    HG1  THR  62           HG1      THR  62   8.291  13.221  17.210
  436   1HG2  THR  62          HG21      THR  62   5.829  14.666  16.462
  437   2HG2  THR  62          HG22      THR  62   6.607  13.347  15.590
  438   3HG2  THR  62          HG23      THR  62   6.373  14.909  14.803
  439    H    ILE  63           HN       ILE  63   9.764  16.990  15.846
  440    HA   ILE  63           HA       ILE  63  12.588  16.141  16.514
  441    HB   ILE  63           HB       ILE  63  11.589  18.878  15.666
  442   1HG1  ILE  63          HG11      ILE  63  11.489  17.049  13.903
  443   2HG1  ILE  63          HG12      ILE  63  13.243  16.944  14.052
  444   1HG2  ILE  63          HG21      ILE  63  13.665  18.765  17.114
  445   2HG2  ILE  63          HG22      ILE  63  13.897  19.491  15.527
  446   3HG2  ILE  63          HG23      ILE  63  14.413  17.833  15.819
  447   1HD1  ILE  63          HD11      ILE  63  12.857  18.472  12.261
  448   2HD1  ILE  63          HD12      ILE  63  13.263  19.483  13.644
  449   3HD1  ILE  63          HD13      ILE  63  11.581  19.304  13.147
  450    H    ASP  64           HN       ASP  64  13.521  17.009  18.362
  451    HA   ASP  64           HA       ASP  64  11.632  18.190  20.362
  452   1HB   ASP  64          HB1       ASP  64  12.023  15.861  20.949
  453   2HB   ASP  64          HB2       ASP  64  12.874  16.884  22.109
  454    H    PHE  65           HN       PHE  65  13.895  18.315  22.315
  455    HA   PHE  65           HA       PHE  65  14.940  20.874  21.432
  456   1HB   PHE  65          HB1       PHE  65  15.132  19.216  23.922
  457   2HB   PHE  65          HB2       PHE  65  14.611  20.880  23.727
  458    HD1  PHE  65           HD1      PHE  65  16.852  22.049  22.190
  459    HD2  PHE  65           HD2      PHE  65  16.885  19.326  25.512
  460    HE1  PHE  65           HE1      PHE  65  19.109  22.854  22.826
  461    HE2  PHE  65           HE2      PHE  65  19.142  20.131  26.149
  462    HZ   PHE  65           HZ       PHE  65  20.254  21.895  24.806
  463    HA   PRO  66           HA       PRO  66  19.243  18.614  21.382
  464   1HB   PRO  66          HB1       PRO  66  19.399  16.733  22.704
  465   2HB   PRO  66          HB2       PRO  66  19.114  15.828  21.204
  466   1HG   PRO  66          HG1       PRO  66  17.483  15.576  23.296
  467   2HG   PRO  66          HG2       PRO  66  16.842  15.605  21.641
  468   1HD   PRO  66          HD1       PRO  66  16.909  17.811  23.698
  469   2HD   PRO  66          HD2       PRO  66  15.577  17.322  22.624
  470    H    GLU  67           HN       GLU  67  16.571  16.995  19.684
  471    HA   GLU  67           HA       GLU  67  18.091  16.401  17.307
  472   1HB   GLU  67          HB1       GLU  67  15.859  16.048  16.264
  473   2HB   GLU  67          HB2       GLU  67  15.111  16.691  17.718
  474   1HG   GLU  67          HG1       GLU  67  16.021  14.895  19.058
  475   2HG   GLU  67          HG2       GLU  67  17.024  14.341  17.718
  476    H    PHE  68           HN       PHE  68  15.915  19.090  18.177
  477    HA   PHE  68           HA       PHE  68  16.177  20.415  15.639
  478   1HB   PHE  68          HB1       PHE  68  15.789  21.976  18.189
  479   2HB   PHE  68          HB2       PHE  68  14.500  20.890  17.650
  480    HD1  PHE  68           HD1      PHE  68  16.442  22.515  14.963
  481    HD2  PHE  68           HD2      PHE  68  13.002  22.804  17.523
  482    HE1  PHE  68           HE1      PHE  68  15.439  24.161  13.431
  483    HE2  PHE  68           HE2      PHE  68  12.008  24.458  15.978
  484    HZ   PHE  68           HZ       PHE  68  13.225  25.139  13.936
  485    H    LEU  69           HN       LEU  69  18.026  20.426  18.640
  486    HA   LEU  69           HA       LEU  69  19.781  22.596  18.171
  487   1HB   LEU  69          HB1       LEU  69  20.560  19.934  19.398
  488   2HB   LEU  69          HB2       LEU  69  19.630  21.155  20.257
  489    HG   LEU  69           HG       LEU  69  21.507  22.792  19.745
  490   1HD1  LEU  69          HD11      LEU  69  21.201  21.758  21.952
  491   2HD1  LEU  69          HD12      LEU  69  22.917  21.930  21.587
  492   3HD1  LEU  69          HD13      LEU  69  22.137  20.355  21.438
  493   1HD2  LEU  69          HD21      LEU  69  23.764  21.348  19.476
  494   2HD2  LEU  69          HD22      LEU  69  22.874  21.935  18.078
  495   3HD2  LEU  69          HD23      LEU  69  22.678  20.267  18.606
  496    H    THR  70           HN       THR  70  20.297  19.146  17.376
  497    HA   THR  70           HA       THR  70  22.681  19.459  15.927
  498    HB   THR  70           HB       THR  70  20.441  17.514  15.318
  499    HG1  THR  70           HG1      THR  70  22.516  17.576  17.222
  500   1HG2  THR  70          HG21      THR  70  22.394  16.094  14.568
  501   2HG2  THR  70          HG22      THR  70  23.407  17.531  14.712
  502   3HG2  THR  70          HG23      THR  70  22.078  17.500  13.553
  503    H    MET  71           HN       MET  71  19.353  19.425  14.697
  504    HA   MET  71           HA       MET  71  19.879  19.903  11.971
  505   1HB   MET  71          HB1       MET  71  17.530  21.003  13.543
  506   2HB   MET  71          HB2       MET  71  17.648  19.342  12.959
  507   1HG   MET  71          HG1       MET  71  16.427  20.410  11.260
  508   2HG   MET  71          HG2       MET  71  18.071  20.455  10.627
  509   1HE   MET  71          HE1       MET  71  15.040  22.317  10.773
  510   2HE   MET  71          HE2       MET  71  16.081  22.255   9.353
  511   3HE   MET  71          HE3       MET  71  15.696  23.810  10.087
  512    H    MET  72           HN       MET  72  19.218  22.332  14.512
  513    HA   MET  72           HA       MET  72  19.583  24.592  12.804
  514   1HB   MET  72          HB1       MET  72  20.141  25.763  15.069
  515   2HB   MET  72          HB2       MET  72  19.767  24.199  15.792
  516   1HG   MET  72          HG1       MET  72  17.585  24.413  14.269
  517   2HG   MET  72          HG2       MET  72  17.948  26.130  14.395
  518   1HE   MET  72          HE1       MET  72  15.655  26.708  17.187
  519   2HE   MET  72          HE2       MET  72  15.402  26.119  15.546
  520   3HE   MET  72          HE3       MET  72  16.616  27.358  15.853
  521    H    ALA  73           HN       ALA  73  21.924  22.733  14.695
  522    HA   ALA  73           HA       ALA  73  24.137  24.502  14.302
  523   1HB   ALA  73          HB1       ALA  73  24.178  21.477  14.551
  524   2HB   ALA  73          HB2       ALA  73  24.139  22.597  15.912
  525   3HB   ALA  73          HB3       ALA  73  25.537  22.563  14.837
  526    H    ARG  74           HN       ARG  74  22.694  21.991  12.309
  527    HA   ARG  74           HA       ARG  74  24.796  21.837  10.354
  528   1HB   ARG  74          HB1       ARG  74  22.984  20.851   8.902
  529   2HB   ARG  74          HB2       ARG  74  21.851  21.178  10.213
  530   1HG   ARG  74          HG1       ARG  74  23.300  19.816  11.733
  531   2HG   ARG  74          HG2       ARG  74  24.321  19.421  10.351
  532   1HD   ARG  74          HD1       ARG  74  21.343  18.861  10.456
  533   2HD   ARG  74          HD2       ARG  74  22.574  17.675  10.887
  534    HE   ARG  74           HE       ARG  74  23.032  18.817   8.255
  535   1HH1  ARG  74          HH11      ARG  74  22.715  17.420   6.508
  536   2HH1  ARG  74          HH12      ARG  74  21.835  15.947   6.743
  537   1HH2  ARG  74          HH21      ARG  74  21.266  16.514  10.116
  538   2HH2  ARG  74          HH22      ARG  74  21.015  15.434   8.785
  539    H    LYS  75           HN       LYS  75  22.285  24.185  10.896
  540    HA   LYS  75           HA       LYS  75  22.347  25.192   8.134
  541   1HB   LYS  75          HB1       LYS  75  21.008  27.128   9.431
  542   2HB   LYS  75          HB2       LYS  75  20.874  25.873  10.659
  543   1HG   LYS  75          HG1       LYS  75  20.091  25.462   7.755
  544   2HG   LYS  75          HG2       LYS  75  18.958  25.939   9.017
  545   1HD   LYS  75          HD1       LYS  75  19.451  23.900  10.272
  546   2HD   LYS  75          HD2       LYS  75  20.655  23.426   9.074
  547   1HE   LYS  75          HE1       LYS  75  18.391  22.320   8.800
  548   2HE   LYS  75          HE2       LYS  75  18.967  23.180   7.373
  549   1HZ   LYS  75          HZ1       LYS  75  16.571  23.568   8.185
  550   2HZ   LYS  75          HZ2       LYS  75  17.502  24.908   7.710
  551   3HZ   LYS  75          HZ3       LYS  75  17.287  24.560   9.360
  552    H    MET  76           HN       MET  76  24.599  25.745   7.914
  553    HA   MET  76           HA       MET  76  26.498  27.123   8.166
  554   1HB   MET  76          HB1       MET  76  25.938  29.541   8.195
  555   2HB   MET  76          HB2       MET  76  24.265  29.134   8.581
  556   1HG   MET  76          HG1       MET  76  24.031  27.931   6.474
  557   2HG   MET  76          HG2       MET  76  25.738  28.178   6.107
  558   1HE   MET  76          HE1       MET  76  22.305  31.142   6.207
  559   2HE   MET  76          HE2       MET  76  23.257  31.100   7.689
  560   3HE   MET  76          HE3       MET  76  22.515  29.621   7.084