*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   22-NOV-05   2F40              
*TITLE     STRUCTURE OF A NOVEL PROTEIN FROM BACKBONE-CENTERED NMR               
*TITLE    2 DATA AND NMR-ASSISTED STRUCTURE PREDICTION                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HYPOTHETICAL PROTEIN PF1455;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS;                            
*SOURCE   3 ORGANISM_COMMON: ARCHAEA;                                            
*SOURCE   4 STRAIN: DSM 3638;                                                    
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: TOP10, BL21(DE3);                          
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PRIL                                      
*KEYWDS    PROTEIN STRUCTURE PREDICTION, RESIDUAL DIPOLAR COUPLINGS,             
*KEYWDS   2 PYROCOCCUS FURIOUS, SIMULATED ANNEALING, STRUCTURAL                  
*KEYWDS   3 GENOMICS, PSI, PROTEIN STRUCTURE INITIATIVE, SOUTHEAST               
*KEYWDS   4 COLLABORATORY FOR STRUCTURAL GENOMICS, SECSG                         
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    S.BANSAL, J.H.PRESTEGARD, SOUTHEAST COLLABORATORY FOR                 
*AUTHOR   2 STRUCTURAL GENOMICS (SECSG)                                          
*REVDAT   1   20-DEC-05 2F40    0                                                
NMR constraint fie for PFU 1362288

1) NOE constraint file:

assign (resid 8 and name HN) (resid 9 and name HN) 5.0 3.2 0.6
assign (resid 14 and name HN) (resid 15 and name HN) 2.7 0.9 0.3
assign (resid 19 and name HN) (resid 20 and name HN) 3.3 1.5 0.4
assign (resid 22 and name HN) (resid 23 and name HN) 3.3 1.5 0.4
assign (resid 39 and name HN) (resid 40 and name HN) 5.0 3.2 0.6
assign (resid 52 and name HN) (resid 53 and name HN) 2.7 0.9 0.3
assign (resid 55 and name HN) (resid 56 and name HN) 2.7 0.9 0.3
assign (resid 56 and name HN) (resid 57 and name HN) 2.7 0.9 0.3
assign (resid 58 and name HN) (resid 59 and name HN) 3.3 1.5 0.4
assign (resid 62 and name HN) (resid 63 and name HN) 5.0 3.2 0.6
assign (resid 62 and name HN) (resid 61 and name HN) 5.0 3.2 0.6
assign (resid 6 and name HN) (resid 40 and name HN) 5.0 3.2 0.6  
assign (resid 39 and name HN) (resid 34 and name HN) 5.0 3.2 0.6
assign (resid 2 and name HN) (resid 1 and name HA) 3.0 0.9 0.4
assign (resid 5 and name HN) (resid 4 and name HA) 3.0 0.9 0.4
assign (resid 6 and name HN) (resid 5 and name HA) 3.0 0.9 0.4
assign (resid 7 and name HN) (resid 6 and name HA) 3.0 0.9 0.4
assign (resid 9 and name HN) (resid 8 and name HA) 3.0 0.9 0.4
assign (resid 10 and name HN) (resid 9 and name HA) 3.7 1.5 0.4
assign (resid 40 and name HN) (resid 39 and name HA) 3.7 1.5 0.
assign (resid 41 and name HN) (resid 40 and name HA) 3.0 0.9 0.4
assign (resid 42 and name HN) (resid 41 and name HA) 3.0 0.9 0.4
assign (resid 53 and name HN) (resid 52 and name HA) 3.7 1.5 0.4  
assign (resid 63 and name HN) (resid 62 and name HA) 3.0 0.9 0.4
assign (resid 68 and name HN) (resid 67 and name HA) 3.0 0.9 0.4
assign (resid 55 and name HN) (resid 52 and name HA) 3.0 0.9 0.4
assign (resid 56 and name HN) (resid 53 and name HA) 3.0 0.9 0.4
assign (resid  4 and name HN) (resid 42 and name HA) 3.7 1.5 0.4
assign (resid 61 and name HN) (resid  7 and name HA) 5.0 3.2 0.6
assign (resid 39 and name HN) (resid  8 and name HA) 3.3 1.5 0.4
assign (resid 38 and name HN) (resid  8 and name HA) 3.3 1.5 0.4
assign (resid 14 and name HN) (resid 13 and name HA) 3.3 1.5 0.4
assign (resid 22 and name HN) (resid 21 and name HA) 3.3 1.5 0.4
assign (resid 28 and name HN) (resid 27 and name HA) 3.3 1.5 0.4
assign (resid  3 and name HN) (resid  2 and name HA) 3.0 0.9 0.4
assign (resid 11 and name HN) (resid 12 and name HA) 2.7 0.9 0.3
assign (resid 47 and name HN) (resid 46 and name HA) 3.3 1.5 0.4
assign (resid 70 and name HN) (resid 69 and name HN) 3.3 1.5 0.4
assign (resid 69 and name HN) (resid 68 and name HN) 3.0 0.9 0.4
assign (resid 73 and name HN) (resid 72 and name HA) 2.7 0.9 0.3
assign (resid  6 and name HN) (resid  5 and name HA) 3.3 1.5 0.4
assign (resid  7 and name HN) (resid 64 and name HA) 5.0 3.2 0.4
assign (resid 14 and name HN) (resid 15 and name HA) 5.0 3.2 0.4
assign (resid 15 and name HN) (resid 14 and name HA) 3.0 0.9 0.4
assign (resid 18 and name HN) (resid 17 and name HA) 3.7 1.5 0.4
assign (resid 20 and name HN) (resid 19 and name HA) 3.7 1.5 0.4
assign (resid 23 and name HN) (resid 21 and name HA) 5.0 3.2 0.4
assign (resid 23 and name HN) (resid 22 and name HA) 3.7 1.5 0.4
assign (resid 36 and name HN)  (resid 38 and name HA) 5.0 3.2 0.4
assign (resid 39 and name HN)  (resid 38 and name HA) 2.7 0.9 0.3
assign (resid 40 and name HN) (resid 34 and name HA) 5.0 3.2 0.4
assign (resid 56 and name HN) (resid 53 and name HA) 3.7 1.5 0.4
assign (resid 57 and name HN) (resid 55 and name HA) 5.0 3.2 0.4
assign (resid 58 and name HN) (resid 57 and name HA) 3.7 1.5 0.4
assign (resid 64 and name HN) (resid 61 and name HA) 5.0 3.2 0.4
assign (resid 69 and name HN) (resid  4 and name HA) 5.0 3.2 0.4
assign (resid 71 and name HN) (resid 72 and name HA) 5.0 3.2 0.4
assign (resid  2 and name HN) (resid  3 and name HN) 5.0 3.2 0.4
assign (resid  2 and name HN) (resid 43 and name HN) 5.0 3.2 0.4
assign (resid  2 and name HN) (resid 44 and name HN) 2.7 0.9 0.3
assign (resid  5 and name HN) (resid  6 and name HN) 5.0 3.2 0.4
assign (resid 13 and name HN) (resid 15 and name HN) 5.0 3.2 0.4
assign (resid 14 and name HN) (resid 15 and name HN) 2.7 0.9 0.3
assign (resid 22 and name HN) (resid 23 and name HN) 2.7 0.9 0.3
assign (resid 28 and name HN) (resid 48 and name HN) 5.0 3.2 0.4
assign (resid 32 and name HN) (resid 43 and name HN) 5.0 3.2 0.4
assign (resid 36 and name HN) (resid 38 and name HN) 5.0 3.2 0.4
assign (resid 36 and name HN) (resid 39 and name HN) 5.0 3.2 0.4
assign (resid 42 and name HN) (resid 43 and name HN) 5.0 3.2 0.4
assign (resid 46 and name HN) (resid 47 and name HN) 3.0 0.9 0.4
assign (resid 48 and name HN) (resid 49 and name HN) 5.0 3.2 0.4
assign (resid 52 and name HN) (resid 55 and name HN) 5.0 3.2 0.4
assign (resid 72 and name HN) (resid 73 and name HN) 5.0 3.2 0.4

2) NH RDCs from Phage alignment media

assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   51      and name        N       )
(       resid   51      and name        HN      )       -0.939 6 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   32      and name        N       )
(       resid   32      and name        HN      )       -0.645 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   3      and name        N       )
(       resid   3      and name        HN      )       5.191 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   5      and name        N       )
(       resid   5      and name        HN      )       0.092 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   63      and name        N       )
(       resid   63      and name        HN      )       3.88 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   6      and name        N       )
(       resid   6      and name        HN      )       0.272 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   4      and name        N       )
(       resid   4      and name        HN      )       3.583 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   40      and name        N       )
(       resid   40      and name        HN      )       -0.163 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   67      and name        N       )
(       resid   67      and name        HN      )       5.435 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   46      and name        N       )
(       resid   46      and name        HN      )       5.882 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   34      and name        N       )
(       resid   34      and name        HN      )       -1.516 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   26      and name        N       )
(       resid   26      and name        HN      )       3.034 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   25      and name        N       )
(       resid   25      and name        HN      )       -2.922 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   9      and name        N       )
(       resid   9      and name        HN      )       -8.907 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   2      and name        N       )
(       resid   2      and name        HN      )       5.241 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   70      and name        N       )
(       resid   70      and name        HN      )       -8.357 6 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   10      and name        N       )
(       resid   10      and name        HN      )       4.188 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   62      and name        N       )
(       resid   62      and name        HN      )       -3.698 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   68      and name        N       )
(       resid   68      and name        HN      )       1.926 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   73      and name        N       )
(       resid   73      and name        HN      )       -9.606 6 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   66      and name        N       )
(       resid   66      and name        HN      )       4.185 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   43      and name        N       )
(       resid   43      and name        HN      )       3.912 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   57      and name        N       )
(       resid   57      and name        HN      )       -7.349 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   21      and name        N       )
(       resid   21      and name        HN      )       -2.893 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   44      and name        N       )
(       resid   44      and name        HN      )       3.935 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   52      and name        N       )
(       resid   52      and name        HN      )       -10.867 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   53      and name        N       )
(       resid   53      and name        HN      )       -4.952 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   15      and name        N       )
(       resid   15      and name        HN      )       -7.86 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   48      and name        N       )
(       resid   48      and name        HN      )       -1.418 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   36      and name        N       )
(       resid   36      and name        HN      )       6.64 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   17      and name        N       )
(       resid   17      and name        HN      )       -0.1 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   74      and name        N       )
(       resid   74      and name        HN      )       -4.655 6 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   59      and name        N       )
(       resid   59      and name        HN      )       -9.038 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   41      and name        N       )
(       resid   41      and name        HN      )       0.291 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   14      and name        N       )
(       resid   14      and name        HN      )       -1.186 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   49      and name        N       )
(       resid   49      and name        HN      )       4.104 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   20      and name        N       )
(       resid   20      and name        HN      )       -1.614 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   28      and name        N       )
(       resid   28      and name        HN      )       4.416 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   19      and name        N       )
(       resid   19      and name        HN      )       -8.164 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   72      and name        N       )
(       resid   72      and name        HN      )       -3.612 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   55      and name        N       )
(       resid   55      and name        HN      )       -10.043 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   64      and name        N       )
(       resid   64      and name        HN      )       3.435 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   71      and name        N       )
(       resid   71      and name        HN      )       -6.909 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   56      and name        N       )
(       resid   56      and name        HN      )       -11.157 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   69      and name        N       )
(       resid   69      and name        HN      )       4.376 6 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   13      and name        N       )
(       resid   13      and name        HN      )       0.284 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   27      and name        N       )
(       resid   27      and name        HN      )       6.798 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   22      and name        N       )
(       resid   22      and name        HN      )       -8.119 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   61      and name        N       )
(       resid   61      and name        HN      )       -8.98 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   30      and name        N       )
(       resid   30      and name        HN      )       -1.285 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   1      and name        N       )
(       resid   1      and name        HN      )       4.445 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   47      and name        N       )
(       resid   47      and name        HN      )       4.878 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   39      and name        N       )
(       resid   39      and name        HN      )       -1.831 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   42      and name        N       )
(       resid   42      and name        HN      )       3.222 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   11      and name        N       )
(       resid   11      and name        HN      )       -0.232 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   38      and name        N       )
(       resid   38      and name        HN      )       2.852 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   58      and name        N       )
(       resid   58      and name        HN      )       -8.534 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   23      and name        N       )
(       resid   23      and name        HN      )       -6.123 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   7      and name        N       )
(       resid   7      and name        HN      )       -5.025 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   8      and name        N       )
(       resid   8      and name        HN      )       -7.504 4 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   31      and name        N       )
(       resid   31      and name        HN      )       0.493 6 
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   60      and name        N       )
(       resid   60      and name        HN      )       -7.722 4 



3) CAHA RDCs from Phage alignment media

assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   51      and name        HA       )
(       resid   51      and name        CA      )       -0.362 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   32      and name        HA       )
(       resid   32      and name        CA      )       -13.443 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   3      and name        HA       )
(       resid   3      and name        CA      )       -24.523 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   5      and name        HA       )
(       resid   5      and name        CA      )       -1.105 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   63      and name        HA       )
(       resid   63      and name        CA      )       -4.556 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   6      and name        HA       )
(       resid   6      and name        CA      )       6.792 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   4      and name        HA       )
(       resid   4      and name        CA      )       -2.138 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   40      and name        HA       )
(       resid   40      and name        CA      )       5.605 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   67      and name        HA       )
(       resid   67      and name        CA      )       -7.684 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   46      and name        HA       )
(       resid   46      and name        CA      )       1.114 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   34      and name        HA       )
(       resid   34      and name        CA      )       -1.025 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   26      and name        HA       )
(       resid   26      and name        CA      )       0.162 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   25      and name        HA       )
(       resid   25      and name        CA      )       1.235 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   9      and name        HA       )
(       resid   9      and name        CA      )       13.422 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   2      and name        HA       )
(       resid   2      and name        CA      )       -13.044 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   70      and name        HA       )
(       resid   70      and name        CA      )       -11.067 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   10      and name        HA       )
(       resid   10      and name        CA      )       -7.91 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   62      and name        HA       )
(       resid   62      and name        CA      )       -2.366 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   68      and name        HA       )
(       resid   68      and name        CA      )       -10.532 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   73      and name        HA       )
(       resid   73      and name        CA      )       8.81 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   66      and name        HA       )
(       resid   66      and name        CA      )       1.086 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   43      and name        HA       )
(       resid   43      and name        CA      )       -3.99 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   57      and name        HA       )
(       resid   57      and name        CA      )       -8.311 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   21      and name        HA       )
(       resid   21      and name        CA      )       -4.975 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   44      and name        HA       )
(       resid   44      and name        CA      )       2.318 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   52      and name        HA       )
(       resid   52      and name        CA      )       5.251 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   53      and name        HA       )
(       resid   53      and name        CA      )       -9.751 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   15      and name        HA       )
(       resid   15      and name        CA      )       15.549 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   48      and name        HA       )
(       resid   48      and name        CA      )       8.292 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   36      and name        HA       )
(       resid   36      and name        CA      )       -7.663 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   17      and name        HA       )
(       resid   17      and name        CA      )       -5.181 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   74      and name        HA       )
(       resid   74      and name        CA      )       2.62 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   59      and name        HA       )
(       resid   59      and name        CA      )       3.264 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   41      and name        HA       )
(       resid   41      and name        CA      )       0.342 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   14      and name        HA       )
(       resid   14      and name        CA      )       -10.649 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   49      and name        HA       )
(       resid   49      and name        CA      )       -3.971 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   20      and name        HA       )
(       resid   20      and name        CA      )       -7.932 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   28      and name        HA       )
(       resid   28      and name        CA      )       -4.269 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   19      and name        HA       )
(       resid   19      and name        CA      )       13.674 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   72      and name        HA       )
(       resid   72      and name        CA      )       -11.189 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   55      and name        HA       )
(       resid   55      and name        CA      )       12.613 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   64      and name        HA       )
(       resid   64      and name        CA      )       4.313 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   71      and name        HA       )
(       resid   71      and name        CA      )       13.299 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   56      and name        HA       )
(       resid   56      and name        CA      )       -0.626 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   69      and name        HA       )
(       resid   69      and name        CA      )       15.982 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   13      and name        HA       )
(       resid   13      and name        CA      )       -2.087 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   27      and name        HA       )
(       resid   27      and name        CA      )       0 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   22      and name        HA       )
(       resid   22      and name        CA      )       17.412 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   61      and name        HA       )
(       resid   61      and name        CA      )       12.731 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   30      and name        HA       )
(       resid   30      and name        CA      )       -3.895 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   1      and name        HA       )
(       resid   1      and name        CA      )       -4.254 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   47      and name        HA       )
(       resid   47      and name        CA      )       0.691 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   39      and name        HA       )
(       resid   39      and name        CA      )       3.317 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   42      and name        HA       )
(       resid   42      and name        CA      )       2.139 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   11      and name        HA       )
(       resid   11      and name        CA      )       -2.408 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   38      and name        HA       )
(       resid   38      and name        CA      )       -4.558 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   58      and name        HA       )
(       resid   58      and name        CA      )       6 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   23      and name        HA       )
(       resid   23      and name        CA      )       -6.914 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   7      and name        HA       )
(       resid   7      and name        CA      )       13.325 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   8      and name        HA       )
(       resid   8      and name        CA      )       13.599 8
assign  (       resid   500     and name        OO      )
(       resid   500     and name        Z       )
(       resid   500     and name        X       )
(       resid   500     and name        Y       )
(       resid   31      and name        HA       )
(       resid   31      and name        CA      )       0 8


4) NH RDCs from C12E5 alignment media

assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   60      and name        N       )
(       resid   60      and name        HN      )       -1.431 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   8      and name        N       )
(       resid   8      and name        HN      )       -3.642 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   0      and name        N       )
(       resid   0      and name        HN      )       -2.032 6 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   7      and name        N       )
(       resid   7      and name        HN      )       -9.516 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   23      and name        N       )
(       resid   23      and name        HN      )       -0.543 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   58      and name        N       )
(       resid   58      and name        HN      )       -2.576 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   38      and name        N       )
(       resid   38      and name        HN      )       -1.385 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   11      and name        N       )
(       resid   11      and name        HN      )       -0.507 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   42      and name        N       )
(       resid   42      and name        HN      )       0.376 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   39      and name        N       )
(       resid   39      and name        HN      )       -5.151 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   47      and name        N       )
(       resid   47      and name        HN      )       -3.893 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   1      and name        N       )
(       resid   1      and name        HN      )       8.21 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   61      and name        N       )
(       resid   61      and name        HN      )       -5.562 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   22      and name        N       )
(       resid   22      and name        HN      )       -2.896 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   56      and name        N       )
(       resid   56      and name        HN      )       -1.731 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   71      and name        N       )
(       resid   71      and name        HN      )       -0.885 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   64      and name        N       )
(       resid   64      and name        HN      )       2.363 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   55      and name        N       )
(       resid   55      and name        HN      )       -3.047 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   19      and name        N       )
(       resid   19      and name        HN      )       0.346 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   20      and name        N       )
(       resid   20      and name        HN      )       5.259 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   49      and name        N       )
(       resid   49      and name        HN      )       8.223 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   14      and name        N       )
(       resid   14      and name        HN      )       -1.396 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   41      and name        N       )
(       resid   41      and name        HN      )       -1.578 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   59      and name        N       )
(       resid   59      and name        HN      )       -4.946 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   17      and name        N       )
(       resid   17      and name        HN      )       0.267 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   36      and name        N       )
(       resid   36      and name        HN      )       2.817 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   48      and name        N       )
(       resid   48      and name        HN      )       -2.444 6 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   15      and name        N       )
(       resid   15      and name        HN      )       -2.321 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   53      and name        N       )
(       resid   53      and name        HN      )       1.977 6 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   52      and name        N       )
(       resid   52      and name        HN      )       -2.549 6 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   44      and name        N       )
(       resid   44      and name        HN      )       -0.013 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   21      and name        N       )
(       resid   21      and name        HN      )       1.643 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   57      and name        N       )
(       resid   57      and name        HN      )       1.341 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   43      and name        N       )
(       resid   43      and name        HN      )       5.238 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   66      and name        N       )
(       resid   66      and name        HN      )       5.001 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   68      and name        N       )
(       resid   68      and name        HN      )       6.936 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   62      and name        N       )
(       resid   62      and name        HN      )       -8.971 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   10      and name        N       )
(       resid   10      and name        HN      )       10.633 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   70      and name        N       )
(       resid   70      and name        HN      )       -2.415 6 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   2      and name        N       )
(       resid   2      and name        HN      )       8.234 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   9      and name        N       )
(       resid   9      and name        HN      )       -5.181 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   25      and name        N       )
(       resid   25      and name        HN      )       -2.366 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   34      and name        N       )
(       resid   34      and name        HN      )       -3.618 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   46      and name        N       )
(       resid   46      and name        HN      )       6.424 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   67      and name        N       )
(       resid   67      and name        HN      )       4.448 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   40      and name        N       )
(       resid   40      and name        HN      )       -3.207 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   4      and name        N       )
(       resid   4      and name        HN      )       -0.932 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   6      and name        N       )
(       resid   6      and name        HN      )       -7.15 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   63      and name        N       )
(       resid   63      and name        HN      )       -3.707 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   5      and name        N       )
(       resid   5      and name        HN      )       -0.891 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   32      and name        N       )
(       resid   32      and name        HN      )       -2.596 4 
assign  (       resid   600     and name        OO      )
(       resid   600     and name        Z       )
(       resid   600     and name        X       )
(       resid   600     and name        Y       )
(       resid   51      and name        N       )
(       resid   51      and name        HN      )       1.987 6 

5) Dihedral angle

set message=off echo=off end
restraints dihedral reset
! PHI angle constraints

!!  K2
assign (resid 1 and name c) (resid 2 and name n)
       (resid 2 and name ca) (resid 2 and name c)  1  -124.000  0  2

!!  W3
assign (resid 2 and name c) (resid 3 and name n)
       (resid 3 and name ca) (resid 3 and name c)  1  -117.000  0  2

!!  I4
assign (resid 3 and name c) (resid 4 and name n)
       (resid 4 and name ca) (resid 4 and name c)  1  -120.000  0  2

!!  K5
assign (resid 4 and name c) (resid 5 and name n)
       (resid 5 and name ca) (resid 5 and name c)  1  -118.000  0  2

!!  F6
assign (resid 5 and name c) (resid 6 and name n)
       (resid 6 and name ca) (resid 6 and name c)  1  -113.000  0  2

!!  T7
assign (resid 6 and name c) (resid 7 and name n)
       (resid 7 and name ca) (resid 7 and name c)  1  -124.000  0  2

!!  T8
assign (resid 7 and name c) (resid 8 and name n)
       (resid 8 and name ca) (resid 8 and name c)  1  -133.000  0  2

!!  L10
assign (resid 9 and name c) (resid 10 and name n)
       (resid 10 and name ca) (resid 10 and name c)  1  -79.000  0  2

!!  T11
assign (resid 10 and name c) (resid 11 and name n)
       (resid 11 and name ca) (resid 11 and name c)  1  -90.000  0  2

!!  E13
assign (resid 12 and name c) (resid 13 and name n)
       (resid 13 and name ca) (resid 13 and name c)  1  -63.000  0  2

!!  E14
assign (resid 13 and name c) (resid 14 and name n)
       (resid 14 and name ca) (resid 14 and name c)  1  -64.000  0  2

!!  A15
assign (resid 14 and name c) (resid 15 and name n)
       (resid 15 and name ca) (resid 15 and name c)  1  -65.000  0  2

!!  K16
assign (resid 15 and name c) (resid 16 and name n)
       (resid 16 and name ca) (resid 16 and name c)  1  -65.000  0  2

!!  I17
assign (resid 16 and name c) (resid 17 and name n)
       (resid 17 and name ca) (resid 17 and name c)  1  -66.000  0  2

!!  V18
assign (resid 17 and name c) (resid 18 and name n)
       (resid 18 and name ca) (resid 18 and name c)  1  -66.000  0  2

!!  Q19
assign (resid 18 and name c) (resid 19 and name n)
       (resid 19 and name ca) (resid 19 and name c)  1  -60.000  0  2

!!  Y20
assign (resid 19 and name c) (resid 20 and name n)
       (resid 20 and name ca) (resid 20 and name c)  1  -62.000  0  2

!!  E21
assign (resid 20 and name c) (resid 21 and name n)
       (resid 21 and name ca) (resid 21 and name c)  1  -63.000  0  2

!!  L22
assign (resid 21 and name c) (resid 22 and name n)
       (resid 22 and name ca) (resid 22 and name c)  1  -63.000  0  2

!!  S23
assign (resid 22 and name c) (resid 23 and name n)
       (resid 23 and name ca) (resid 23 and name c)  1  -65.000  0  2

!!  T24
assign (resid 23 and name c) (resid 24 and name n)
       (resid 24 and name ca) (resid 24 and name c)  1  -96.000  0  2

!!  D26
assign (resid 25 and name c) (resid 26 and name n)
       (resid 26 and name ca) (resid 26 and name c)  1  -57.000  0  2

!!  F28
assign (resid 27 and name c) (resid 28 and name n)
       (resid 28 and name ca) (resid 28 and name c)  1  -111.000  0  2

!!  F32
assign (resid 31 and name c) (resid 32 and name n)
       (resid 32 and name ca) (resid 32 and name c)  1  -106.000  0  2

!!  I33
assign (resid 32 and name c) (resid 33 and name n)
       (resid 33 and name ca) (resid 33 and name c)  1  -110.000  0  2

!!  N34
assign (resid 33 and name c) (resid 34 and name n)
       (resid 34 and name ca) (resid 34 and name c)  1  -109.000  0  2

!!  Y36
assign (resid 35 and name c) (resid 36 and name n)
       (resid 36 and name ca) (resid 36 and name c)  1  -64.000  0  2

!!  A37
assign (resid 36 and name c) (resid 37 and name n)
       (resid 37 and name ca) (resid 37 and name c)  1  -90.000  0  2

!!  K38
assign (resid 37 and name c) (resid 38 and name n)
       (resid 38 and name ca) (resid 38 and name c)  1  57.000  0  2

!!  V39
assign (resid 38 and name c) (resid 39 and name n)
       (resid 39 and name ca) (resid 39 and name c)  1  -121.000  0  2

!!  A40
assign (resid 39 and name c) (resid 40 and name n)
       (resid 40 and name ca) (resid 40 and name c)  1  -124.000  0  2

!!  E41
assign (resid 40 and name c) (resid 41 and name n)
       (resid 41 and name ca) (resid 41 and name c)  1  -120.000  0  2

!!  V42
assign (resid 41 and name c) (resid 42 and name n)
       (resid 42 and name ca) (resid 42 and name c)  1  -130.000  0  2

!!  V43
assign (resid 42 and name c) (resid 43 and name n)
       (resid 43 and name ca) (resid 43 and name c)  1  -112.000  0  2

!!  I44
assign (resid 43 and name c) (resid 44 and name n)
       (resid 44 and name ca) (resid 44 and name c)  1  -128.000  0  2

!!  D46
assign (resid 45 and name c) (resid 46 and name n)
       (resid 46 and name ca) (resid 46 and name c)  1  -61.000  0  2

!!  S47
assign (resid 46 and name c) (resid 47 and name n)
       (resid 47 and name ca) (resid 47 and name c)  1  -71.000  0  2

!!  I51
assign (resid 50 and name c) (resid 51 and name n)
       (resid 51 and name ca) (resid 51 and name c)  1  -66.000  0  2

!!  E52
assign (resid 51 and name c) (resid 52 and name n)
       (resid 52 and name ca) (resid 52 and name c)  1  -62.000  0  2

!!  E53
assign (resid 52 and name c) (resid 53 and name n)
       (resid 53 and name ca) (resid 53 and name c)  1  -66.000  0  2

!!  L54
assign (resid 53 and name c) (resid 54 and name n)
       (resid 54 and name ca) (resid 54 and name c)  1  -65.000  0  2

!!  K55
assign (resid 54 and name c) (resid 55 and name n)
       (resid 55 and name ca) (resid 55 and name c)  1  -59.000  0  2

!!  E56
assign (resid 55 and name c) (resid 56 and name n)
       (resid 56 and name ca) (resid 56 and name c)  1  -63.000  0  2

!!  K57
assign (resid 56 and name c) (resid 57 and name n)
       (resid 57 and name ca) (resid 57 and name c)  1  -64.000  0  2

!!  L58
assign (resid 57 and name c) (resid 58 and name n)
       (resid 58 and name ca) (resid 58 and name c)  1  -87.000  0  2

!!  V62
assign (resid 61 and name c) (resid 62 and name n)
       (resid 62 and name ca) (resid 62 and name c)  1  -81.000  0  2

!!  I63
assign (resid 62 and name c) (resid 63 and name n)
       (resid 63 and name ca) (resid 63 and name c)  1  -93.000  0  2

!!  E64
assign (resid 63 and name c) (resid 64 and name n)
       (resid 64 and name ca) (resid 64 and name c)  1  -157.000  0  2

!!  E65
assign (resid 64 and name c) (resid 65 and name n)
       (resid 65 and name ca) (resid 65 and name c)  1  -135.000  0  2

!!  K66
assign (resid 65 and name c) (resid 66 and name n)
       (resid 66 and name ca) (resid 66 and name c)  1  -138.000  0  2

!!  E67
assign (resid 66 and name c) (resid 67 and name n)
       (resid 67 and name ca) (resid 67 and name c)  1  -92.000  0  2

!!  I68
assign (resid 67 and name c) (resid 68 and name n)
       (resid 68 and name ca) (resid 68 and name c)  1  -113.000  0  2

!!  T69
assign (resid 68 and name c) (resid 69 and name n)
       (resid 69 and name ca) (resid 69 and name c)  1  -93.000  0  2

!!  L70
assign (resid 69 and name c) (resid 70 and name n)
       (resid 70 and name ca) (resid 70 and name c)  1  -58.000  0  2

!!  Q71
assign (resid 70 and name c) (resid 71 and name n)
       (resid 71 and name ca) (resid 71 and name c)  1  -62.000  0  2

!!  E72
assign (resid 71 and name c) (resid 72 and name n)
       (resid 72 and name ca) (resid 72 and name c)  1  -65.000  0  2

!!  L73
assign (resid 72 and name c) (resid 73 and name n)
       (resid 73 and name ca) (resid 73 and name c)  1  -66.000  0  2

!!  I74
assign (resid 73 and name c) (resid 74 and name n)
       (resid 74 and name ca) (resid 74 and name c)  1  -73.000  0  2



! PSI angle constraints

!!  K2
assign (resid 2 and name n) (resid 2 and name ca)
       (resid 2 and name c) (resid 3 and name n)  1  134.000  0  2

!!  W3
assign (resid 3 and name n) (resid 3 and name ca)
       (resid 3 and name c) (resid 4 and name n)  1  130.000  0  2

!!  I4
assign (resid 4 and name n) (resid 4 and name ca)
       (resid 4 and name c) (resid 5 and name n)  1  130.000  0  2

!!  K5
assign (resid 5 and name n) (resid 5 and name ca)
       (resid 5 and name c) (resid 6 and name n)  1  128.000  0  2

!!  F6
assign (resid 6 and name n) (resid 6 and name ca)
       (resid 6 and name c) (resid 7 and name n)  1  145.000  0  2

!!  T7
assign (resid 7 and name n) (resid 7 and name ca)
       (resid 7 and name c) (resid 8 and name n)  1  155.000  0  2

!!  T8
assign (resid 8 and name n) (resid 8 and name ca)
       (resid 8 and name c) (resid 9 and name n)  1  147.000  0  2

!!  L10
assign (resid 10 and name n) (resid 10 and name ca)
       (resid 10 and name c) (resid 11 and name n)  1  148.000  0  2

!!  T11
assign (resid 11 and name n) (resid 11 and name ca)
       (resid 11 and name c) (resid 12 and name n)  1  153.000  0  2

!!  E13
assign (resid 13 and name n) (resid 13 and name ca)
       (resid 13 and name c) (resid 14 and name n)  1  -36.000  0  2

!!  E14
assign (resid 14 and name n) (resid 14 and name ca)
       (resid 14 and name c) (resid 15 and name n)  1  -44.000  0  2

!!  A15
assign (resid 15 and name n) (resid 15 and name ca)
       (resid 15 and name c) (resid 16 and name n)  1  -42.000  0  2

!!  K16
assign (resid 16 and name n) (resid 16 and name ca)
       (resid 16 and name c) (resid 17 and name n)  1  -41.000  0  2

!!  I17
assign (resid 17 and name n) (resid 17 and name ca)
       (resid 17 and name c) (resid 18 and name n)  1  -44.000  0  2

!!  V18
assign (resid 18 and name n) (resid 18 and name ca)
       (resid 18 and name c) (resid 19 and name n)  1  -44.000  0  2

!!  Q19
assign (resid 19 and name n) (resid 19 and name ca)
       (resid 19 and name c) (resid 20 and name n)  1  -41.000  0  2

!!  Y20
assign (resid 20 and name n) (resid 20 and name ca)
       (resid 20 and name c) (resid 21 and name n)  1  -41.000  0  2

!!  E21
assign (resid 21 and name n) (resid 21 and name ca)
       (resid 21 and name c) (resid 22 and name n)  1  -43.000  0  2

!!  L22
assign (resid 22 and name n) (resid 22 and name ca)
       (resid 22 and name c) (resid 23 and name n)  1  -45.000  0  2

!!  S23
assign (resid 23 and name n) (resid 23 and name ca)
       (resid 23 and name c) (resid 24 and name n)  1  -37.000  0  2

!!  T24
assign (resid 24 and name n) (resid 24 and name ca)
       (resid 24 and name c) (resid 25 and name n)  1  -11.000  0  2

!!  D26
assign (resid 26 and name n) (resid 26 and name ca)
       (resid 26 and name c) (resid 27 and name n)  1  -35.000  0  2

!!  F28
assign (resid 28 and name n) (resid 28 and name ca)
       (resid 28 and name c) (resid 29 and name n)  1  132.000  0  2

!!  F32
assign (resid 32 and name n) (resid 32 and name ca)
       (resid 32 and name c) (resid 33 and name n)  1  131.000  0  2

!!  I33
assign (resid 33 and name n) (resid 33 and name ca)
       (resid 33 and name c) (resid 34 and name n)  1  123.000  0  2

!!  N34
assign (resid 34 and name n) (resid 34 and name ca)
       (resid 34 and name c) (resid 35 and name n)  1  144.000  0  2

!!  Y36
assign (resid 36 and name n) (resid 36 and name ca)
       (resid 36 and name c) (resid 37 and name n)  1  -23.000  0  2

!!  A37
assign (resid 37 and name n) (resid 37 and name ca)
       (resid 37 and name c) (resid 38 and name n)  1  -3.000  0  2

!!  K38
assign (resid 38 and name n) (resid 38 and name ca)
       (resid 38 and name c) (resid 39 and name n)  1  40.000  0  2

!!  V39
assign (resid 39 and name n) (resid 39 and name ca)
       (resid 39 and name c) (resid 40 and name n)  1  144.000  0  2

!!  A40
assign (resid 40 and name n) (resid 40 and name ca)
       (resid 40 and name c) (resid 41 and name n)  1  142.000  0  2

!!  E41
assign (resid 41 and name n) (resid 41 and name ca)
       (resid 41 and name c) (resid 42 and name n)  1  139.000  0  2

!!  V42
assign (resid 42 and name n) (resid 42 and name ca)
       (resid 42 and name c) (resid 43 and name n)  1  148.000  0  2

!!  V43
assign (resid 43 and name n) (resid 43 and name ca)
       (resid 43 and name c) (resid 44 and name n)  1  138.000  0  2

!!  I44
assign (resid 44 and name n) (resid 44 and name ca)
       (resid 44 and name c) (resid 45 and name n)  1  159.000  0  2

!!  D46
assign (resid 46 and name n) (resid 46 and name ca)
       (resid 46 and name c) (resid 47 and name n)  1  -32.000  0  2

!!  S47
assign (resid 47 and name n) (resid 47 and name ca)
       (resid 47 and name c) (resid 48 and name n)  1  -25.000  0  2

!!  I51
assign (resid 51 and name n) (resid 51 and name ca)
       (resid 51 and name c) (resid 52 and name n)  1  -35.000  0  2

!!  E52
assign (resid 52 and name n) (resid 52 and name ca)
       (resid 52 and name c) (resid 53 and name n)  1  -30.000  0  2

!!  E53
assign (resid 53 and name n) (resid 53 and name ca)
       (resid 53 and name c) (resid 54 and name n)  1  -40.000  0  2

!!  L54
assign (resid 54 and name n) (resid 54 and name ca)
       (resid 54 and name c) (resid 55 and name n)  1  -40.000  0  2

!!  K55
assign (resid 55 and name n) (resid 55 and name ca)
       (resid 55 and name c) (resid 56 and name n)  1  -43.000  0  2

!!  E56
assign (resid 56 and name n) (resid 56 and name ca)
       (resid 56 and name c) (resid 57 and name n)  1  -41.000  0  2

!!  K57
assign (resid 57 and name n) (resid 57 and name ca)
       (resid 57 and name c) (resid 58 and name n)  1  -31.000  0  2

!!  L58
assign (resid 58 and name n) (resid 58 and name ca)
       (resid 58 and name c) (resid 59 and name n)  1  -7.000  0  2

!!  V62
assign (resid 62 and name n) (resid 62 and name ca)
       (resid 62 and name c) (resid 63 and name n)  1  135.000  0  2

!!  I63
assign (resid 63 and name n) (resid 63 and name ca)
       (resid 63 and name c) (resid 64 and name n)  1  -31.000  0  2

!!  E64
assign (resid 64 and name n) (resid 64 and name ca)
       (resid 64 and name c) (resid 65 and name n)  1  155.000  0  2

!!  E65
assign (resid 65 and name n) (resid 65 and name ca)
       (resid 65 and name c) (resid 66 and name n)  1  138.000  0  2

!!  K66
assign (resid 66 and name n) (resid 66 and name ca)
       (resid 66 and name c) (resid 67 and name n)  1  136.000  0  2

!!  E67
assign (resid 67 and name n) (resid 67 and name ca)
       (resid 67 and name c) (resid 68 and name n)  1  142.000  0  2

!!  I68
assign (resid 68 and name n) (resid 68 and name ca)
       (resid 68 and name c) (resid 69 and name n)  1  139.000  0  2

!!  T69
assign (resid 69 and name n) (resid 69 and name ca)
       (resid 69 and name c) (resid 70 and name n)  1  167.000  0  2

!!  L70
assign (resid 70 and name n) (resid 70 and name ca)
       (resid 70 and name c) (resid 71 and name n)  1  -40.000  0  2

!!  Q71
assign (resid 71 and name n) (resid 71 and name ca)
       (resid 71 and name c) (resid 72 and name n)  1  -39.000  0  2

!!  E72
assign (resid 72 and name n) (resid 72 and name ca)
       (resid 72 and name c) (resid 73 and name n)  1  -38.000  0  2

!!  L73
assign (resid 73 and name n) (resid 73 and name ca)
       (resid 73 and name c) (resid 74 and name n)  1  -42.000  0  2

!!  I74
assign (resid 74 and name n) (resid 74 and name ca)
       (resid 74 and name c) (resid 75 and name n)  1  -40.000  0  2

end

6) Jhnha coupling values
residue
JHNHA value
51
9.97451
32
8.59456
3
8.50349
5
8.41658
63
10.7078
6
9.25758
40
8.03862
46
5.43856
34
9.19409
26
9.97283
25
7.49527
9
10.6957
2
8.5301
10
4.87583
62
5.45416
68
9.02702
18
4.6233
54
5.02254
66
7.3151
43
9.21573
57
4.65228
21
4.18851
44
9.86387
52
5.3323
37
8.25813
15
3.37248
48
9.20635
17
6.23019
74
9.97221
59
6.92456
41
8.59095
14
5.36612
49
7.97792
20
4.55447
65
11.2795
28
8.68544
55
3.67101
64
7.09799
56
5.0965
13
9.96807
16
4.10268
27
5.87023
22
4.07046
61
8.22885
30
7.01806
1
8.06933
47
7.72399
39
8.88801
42
9.21407
11
6.71431
38
6.93637
58
6.90866
23
3.76752
7
9.07281
24
8.56979
8
7.18614
60
5.58823








  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    SER   1           H        SER   1   6.915  24.020  13.337
    2    HA   SER   1           HA       SER   1   5.801  22.053  13.492
    3   1HB   SER   1          2HB       SER   1   3.948  23.152  11.357
    4   2HB   SER   1          1HB       SER   1   3.805  21.580  12.149
    5    HG   SER   1           HG       SER   1   2.769  22.514  13.667
    6    H    LYS   2           H        LYS   2   5.471  20.722  10.535
    7    HA   LYS   2           HA       LYS   2   7.182  22.159   8.840
    8   1HB   LYS   2          2HB       LYS   2   7.389  19.260   9.679
    9   2HB   LYS   2          1HB       LYS   2   8.267  20.038   8.387
   10   1HG   LYS   2          2HG       LYS   2   9.521  21.335  10.042
   11   2HG   LYS   2          1HG       LYS   2   8.635  20.503  11.334
   12   1HD   LYS   2          2HD       LYS   2   9.412  18.332  10.316
   13   2HD   LYS   2          1HD       LYS   2  10.410  19.287   9.249
   14   1HE   LYS   2          2HE       LYS   2  11.764  20.046  10.987
   15   2HE   LYS   2          1HE       LYS   2  10.602  19.539  12.217
   16   1HZ   LYS   2          1HZ       LYS   2  12.487  17.958  12.010
   17   2HZ   LYS   2          2HZ       LYS   2  11.927  17.564  10.415
   18   3HZ   LYS   2          3HZ       LYS   2  10.996  17.297  11.702
   19    H    TRP   3           H        TRP   3   6.330  21.523   6.784
   20    HA   TRP   3           HA       TRP   3   4.699  19.133   6.698
   21   1HB   TRP   3          2HB       TRP   3   2.959  21.019   6.717
   22   2HB   TRP   3          1HB       TRP   3   3.890  21.822   5.475
   23    HD1  TRP   3           HD1      TRP   3   1.445  18.897   5.965
   24    HE1  TRP   3           HE1      TRP   3   0.451  18.301   3.621
   25    HE3  TRP   3           HE3      TRP   3   4.368  21.860   2.991
   26    HZ2  TRP   3           HZ2      TRP   3   0.860  18.962   0.968
   27    HZ3  TRP   3           HZ3      TRP   3   3.995  21.821   0.561
   28    HH2  TRP   3           HH2      TRP   3   2.274  20.397  -0.430
   29    H    ILE   4           H        ILE   4   5.653  17.791   6.010
   30    HA   ILE   4           HA       ILE   4   7.280  18.255   3.545
   31    HB   ILE   4           HB       ILE   4   8.691  16.557   4.441
   32   1HG1  ILE   4          2HG1      ILE   4   6.921  16.445   6.906
   33   2HG1  ILE   4          1HG1      ILE   4   6.882  15.285   5.587
   34   1HG2  ILE   4          1HG2      ILE   4   8.241  18.605   6.611
   35   2HG2  ILE   4          2HG2      ILE   4   9.299  18.782   5.211
   36   3HG2  ILE   4          3HG2      ILE   4   9.680  17.597   6.457
   37   1HD1  ILE   4          1HD1      ILE   4   8.084  14.431   7.515
   38   2HD1  ILE   4          2HD1      ILE   4   9.206  15.792   7.427
   39   3HD1  ILE   4          3HD1      ILE   4   9.152  14.608   6.123
   40    H    LYS   5           H        LYS   5   7.002  16.530   1.907
   41    HA   LYS   5           HA       LYS   5   4.627  15.055   2.302
   42   1HB   LYS   5          2HB       LYS   5   5.591  16.536   0.319
   43   2HB   LYS   5          1HB       LYS   5   6.585  15.122   0.025
   44   1HG   LYS   5          2HG       LYS   5   4.527  13.765  -0.249
   45   2HG   LYS   5          1HG       LYS   5   3.576  15.212   0.037
   46   1HD   LYS   5          2HD       LYS   5   4.693  16.255  -1.932
   47   2HD   LYS   5          1HD       LYS   5   5.449  14.693  -2.260
   48   1HE   LYS   5          2HE       LYS   5   3.164  13.689  -2.324
   49   2HE   LYS   5          1HE       LYS   5   2.500  15.305  -2.171
   50   1HZ   LYS   5          1HZ       LYS   5   2.483  14.781  -4.435
   51   2HZ   LYS   5          2HZ       LYS   5   4.037  14.174  -4.427
   52   3HZ   LYS   5          3HZ       LYS   5   3.814  15.822  -4.300
   53    H    PHE   6           H        PHE   6   5.849  13.134   0.566
   54    HA   PHE   6           HA       PHE   6   7.499  11.126   0.890
   55   1HB   PHE   6          2HB       PHE   6   7.217  11.550   3.680
   56   2HB   PHE   6          1HB       PHE   6   5.681  10.788   3.393
   57    HD1  PHE   6           HD1      PHE   6   5.519   8.459   3.628
   58    HD2  PHE   6           HD2      PHE   6   9.339  10.227   3.083
   59    HE1  PHE   6           HE1      PHE   6   6.577   6.285   4.089
   60    HE2  PHE   6           HE2      PHE   6  10.417   8.053   3.537
   61    HZ   PHE   6           HZ       PHE   6   9.033   6.079   4.046
   62    H    THR   7           H        THR   7   6.270   9.098   1.588
   63    HA   THR   7           HA       THR   7   6.007   8.241  -1.324
   64    HB   THR   7           HB       THR   7   6.453   6.670   1.166
   65    HG1  THR   7           HG1      THR   7   8.026   8.531   0.490
   66   1HG2  THR   7          1HG2      THR   7   7.413   5.147  -0.512
   67   2HG2  THR   7          2HG2      THR   7   7.210   6.370  -1.760
   68   3HG2  THR   7          3HG2      THR   7   5.791   5.635  -1.011
   69    H    THR   8           H        THR   8   4.039   7.525  -1.939
   70    HA   THR   8           HA       THR   8   1.914   7.572   0.094
   71    HB   THR   8           HB       THR   8   0.479   8.252  -1.916
   72    HG1  THR   8           HG1      THR   8   1.995   7.391  -3.429
   73   1HG2  THR   8          1HG2      THR   8   1.382   9.987  -0.428
   74   2HG2  THR   8          2HG2      THR   8   1.315  10.550  -2.101
   75   3HG2  THR   8          3HG2      THR   8   2.852  10.048  -1.401
   76    H    ASN   9           H        ASN   9   2.059   5.131   0.352
   77    HA   ASN   9           HA       ASN   9   1.921   3.423  -2.086
   78   1HB   ASN   9          2HB       ASN   9   4.126   4.416  -2.095
   79   2HB   ASN   9          1HB       ASN   9   4.421   3.774  -0.493
   80   1HD2  ASN   9          1HD2      ASN   9   5.988   2.411  -1.000
   81   2HD2  ASN   9          2HD2      ASN   9   5.844   1.049  -2.058
   82    H    LEU  10           H        LEU  10   3.599   3.139   0.860
   83    HA   LEU  10           HA       LEU  10   2.248   0.508   1.504
   84   1HB   LEU  10          2HB       LEU  10   4.457   0.474   0.261
   85   2HB   LEU  10          1HB       LEU  10   5.135   1.315   1.622
   86    HG   LEU  10           HG       LEU  10   4.541  -0.603   3.056
   87   1HD1  LEU  10          1HD1      LEU  10   2.658  -1.500   1.712
   88   2HD1  LEU  10          2HD1      LEU  10   3.901  -2.728   1.947
   89   3HD1  LEU  10          3HD1      LEU  10   3.785  -1.879   0.409
   90   1HD2  LEU  10          1HD2      LEU  10   6.218  -1.224   0.634
   91   2HD2  LEU  10          2HD2      LEU  10   6.237  -2.137   2.138
   92   3HD2  LEU  10          3HD2      LEU  10   6.769  -0.460   2.125
   93    H    THR  11           H        THR  11   0.920   1.257   2.896
   94    HA   THR  11           HA       THR  11   1.164   2.327   5.128
   95    HB   THR  11           HB       THR  11  -0.167   0.386   6.197
   96    HG1  THR  11           HG1      THR  11  -0.028  -1.406   5.125
   97   1HG2  THR  11          1HG2      THR  11  -1.052   1.552   3.560
   98   2HG2  THR  11          2HG2      THR  11  -1.235   2.308   5.145
   99   3HG2  THR  11          3HG2      THR  11  -2.117   0.829   4.763
  100    HA   PRO  12           HA       PRO  12   4.069  -0.002   7.139
  101   1HB   PRO  12          2HB       PRO  12   5.444  -2.331   6.114
  102   2HB   PRO  12          1HB       PRO  12   4.346  -2.228   7.491
  103   1HG   PRO  12          2HG       PRO  12   3.783  -3.337   4.948
  104   2HG   PRO  12          1HG       PRO  12   2.637  -3.055   6.265
  105   1HD   PRO  12          2HD       PRO  12   3.094  -1.500   3.799
  106   2HD   PRO  12          1HD       PRO  12   1.670  -1.584   4.828
  107    H    GLU  13           H        GLU  13   4.689   1.884   5.613
  108    HA   GLU  13           HA       GLU  13   7.596   2.209   5.197
  109   1HB   GLU  13          2HB       GLU  13   6.698   1.344   2.921
  110   2HB   GLU  13          1HB       GLU  13   5.616   2.729   2.975
  111   1HG   GLU  13          2HG       GLU  13   7.540   4.216   2.958
  112   2HG   GLU  13          1HG       GLU  13   8.616   2.816   2.910
  113    H    GLU  14           H        GLU  14   4.551   4.181   4.702
  114    HA   GLU  14           HA       GLU  14   5.512   6.126   6.146
  115   1HB   GLU  14          2HB       GLU  14   2.743   4.912   6.088
  116   2HB   GLU  14          1HB       GLU  14   3.078   6.550   6.646
  117   1HG   GLU  14          2HG       GLU  14   3.904   7.099   4.346
  118   2HG   GLU  14          1HG       GLU  14   3.474   5.477   3.835
  119    H    ALA  15           H        ALA  15   5.547   3.086   7.224
  120    HA   ALA  15           HA       ALA  15   5.479   3.539  10.208
  121   1HB   ALA  15          1HB       ALA  15   4.092   1.600   9.222
  122   2HB   ALA  15          2HB       ALA  15   5.403   1.181  10.324
  123   3HB   ALA  15          3HB       ALA  15   5.626   1.011   8.580
  124    H    LYS  16           H        LYS  16   7.561   2.568   7.555
  125    HA   LYS  16           HA       LYS  16   9.714   2.033   9.285
  126   1HB   LYS  16          2HB       LYS  16   9.777   2.854   6.383
  127   2HB   LYS  16          1HB       LYS  16  11.169   2.282   7.288
  128   1HG   LYS  16          2HG       LYS  16   9.989   0.136   7.667
  129   2HG   LYS  16          1HG       LYS  16   8.667   0.720   6.660
  130   1HD   LYS  16          2HD       LYS  16  10.080  -0.669   5.300
  131   2HD   LYS  16          1HD       LYS  16  10.322   1.004   4.796
  132   1HE   LYS  16          2HE       LYS  16  12.377   1.105   6.158
  133   2HE   LYS  16          1HE       LYS  16  12.119  -0.566   6.648
  134   1HZ   LYS  16          1HZ       LYS  16  13.733  -0.390   4.879
  135   2HZ   LYS  16          2HZ       LYS  16  12.634   0.371   3.867
  136   3HZ   LYS  16          3HZ       LYS  16  12.383  -1.226   4.338
  137    H    ILE  17           H        ILE  17   8.602   5.136   7.850
  138    HA   ILE  17           HA       ILE  17  10.676   7.013   8.391
  139    HB   ILE  17           HB       ILE  17   8.468   7.160   7.076
  140   1HG1  ILE  17          2HG1      ILE  17   8.184   9.563   7.782
  141   2HG1  ILE  17          1HG1      ILE  17   9.328   9.252   9.079
  142   1HG2  ILE  17          1HG2      ILE  17   6.930   6.304   8.695
  143   2HG2  ILE  17          2HG2      ILE  17   6.550   7.989   8.333
  144   3HG2  ILE  17          3HG2      ILE  17   7.373   7.573   9.835
  145   1HD1  ILE  17          1HD1      ILE  17  11.061   8.734   7.431
  146   2HD1  ILE  17          2HD1      ILE  17  10.379  10.335   7.166
  147   3HD1  ILE  17          3HD1      ILE  17   9.895   8.994   6.133
  148    H    VAL  18           H        VAL  18   8.454   5.385  10.584
  149    HA   VAL  18           HA       VAL  18   8.895   7.316  12.593
  150    HB   VAL  18           HB       VAL  18   7.874   4.466  12.818
  151   1HG1  VAL  18          1HG1      VAL  18   8.734   5.244  14.985
  152   2HG1  VAL  18          2HG1      VAL  18   6.975   5.118  15.007
  153   3HG1  VAL  18          3HG1      VAL  18   7.743   6.698  14.863
  154   1HG2  VAL  18          1HG2      VAL  18   6.435   7.111  12.695
  155   2HG2  VAL  18          2HG2      VAL  18   5.670   5.550  12.969
  156   3HG2  VAL  18          3HG2      VAL  18   6.476   5.879  11.435
  157    H    GLN  19           H        GLN  19  10.522   4.281  11.711
  158    HA   GLN  19           HA       GLN  19  12.139   4.263  14.063
  159   1HB   GLN  19          2HB       GLN  19  11.583   2.189  12.816
  160   2HB   GLN  19          1HB       GLN  19  12.530   2.781  11.460
  161   1HG   GLN  19          2HG       GLN  19  14.527   2.813  12.895
  162   2HG   GLN  19          1HG       GLN  19  13.564   2.143  14.209
  163   1HE2  GLN  19          1HE2      GLN  19  15.135   1.518  11.212
  164   2HE2  GLN  19          2HE2      GLN  19  14.915  -0.184  11.230
  165    H    TYR  20           H        TYR  20  12.499   5.160  10.949
  166    HA   TYR  20           HA       TYR  20  15.200   5.833  10.989
  167   1HB   TYR  20          2HB       TYR  20  13.283   7.345   9.201
  168   2HB   TYR  20          1HB       TYR  20  15.028   7.446   9.058
  169    HD1  TYR  20           HD1      TYR  20  12.444   6.249   7.374
  170    HD2  TYR  20           HD2      TYR  20  15.954   4.725   9.236
  171    HE1  TYR  20           HE1      TYR  20  12.445   4.354   5.813
  172    HE2  TYR  20           HE2      TYR  20  15.958   2.830   7.678
  173    HH   TYR  20           HH       TYR  20  14.252   2.820   4.893
  174    H    GLU  21           H        GLU  21  12.649   8.188  11.290
  175    HA   GLU  21           HA       GLU  21  14.241  10.105  12.608
  176   1HB   GLU  21          2HB       GLU  21  11.333   9.900  11.995
  177   2HB   GLU  21          1HB       GLU  21  11.928  11.165  13.058
  178   1HG   GLU  21          2HG       GLU  21  11.720  12.002  10.785
  179   2HG   GLU  21          1HG       GLU  21  13.397  11.997  11.288
  180    H    LEU  22           H        LEU  22  13.480   7.459  13.733
  181    HA   LEU  22           HA       LEU  22  13.156   7.902  16.902
  182   1HB   LEU  22          2HB       LEU  22  12.097   5.753  15.455
  183   2HB   LEU  22          1HB       LEU  22  13.819   5.442  15.431
  184    HG   LEU  22           HG       LEU  22  13.783   5.517  17.936
  185   1HD1  LEU  22          1HD1      LEU  22  11.621   5.289  19.057
  186   2HD1  LEU  22          2HD1      LEU  22  10.795   5.550  17.521
  187   3HD1  LEU  22          3HD1      LEU  22  11.757   6.845  18.237
  188   1HD2  LEU  22          1HD2      LEU  22  13.767   3.413  16.719
  189   2HD2  LEU  22          2HD2      LEU  22  12.015   3.497  16.563
  190   3HD2  LEU  22          3HD2      LEU  22  12.746   3.292  18.153
  191    H    SER  23           H        SER  23  15.796   6.839  15.079
  192    HA   SER  23           HA       SER  23  17.403   7.363  16.941
  193   1HB   SER  23          2HB       SER  23  17.680   8.419  14.148
  194   2HB   SER  23          1HB       SER  23  18.983   7.874  15.214
  195    HG   SER  23           HG       SER  23  18.202   5.805  15.126
  196    H    THR  24           H        THR  24  15.586   9.943  15.417
  197    HA   THR  24           HA       THR  24  17.104  12.243  16.076
  198    HB   THR  24           HB       THR  24  14.205  11.852  15.306
  199    HG1  THR  24           HG1      THR  24  15.063  11.808  13.159
  200   1HG2  THR  24          1HG2      THR  24  14.518  13.909  14.062
  201   2HG2  THR  24          2HG2      THR  24  16.212  13.941  14.556
  202   3HG2  THR  24          3HG2      THR  24  14.944  14.181  15.757
  203    H    ARG  25           H        ARG  25  16.195  10.555  18.070
  204    HA   ARG  25           HA       ARG  25  13.974  10.610  19.546
  205   1HB   ARG  25          2HB       ARG  25  16.496  10.572  21.201
  206   2HB   ARG  25          1HB       ARG  25  14.951   9.897  21.667
  207   1HG   ARG  25          2HG       ARG  25  15.197   8.438  19.565
  208   2HG   ARG  25          1HG       ARG  25  16.888   8.926  19.620
  209   1HD   ARG  25          2HD       ARG  25  16.753   6.870  20.780
  210   2HD   ARG  25          1HD       ARG  25  16.887   8.134  22.013
  211    HE   ARG  25           HE       ARG  25  14.304   7.977  21.840
  212   1HH1  ARG  25          1HH1      ARG  25  16.616   5.289  22.040
  213   2HH1  ARG  25          2HH1      ARG  25  15.484   4.199  22.689
  214   1HH2  ARG  25          1HH2      ARG  25  12.778   6.463  22.709
  215   2HH2  ARG  25          2HH2      ARG  25  13.277   4.881  23.081
  216    H    ASP  26           H        ASP  26  16.427  12.585  21.317
  217    HA   ASP  26           HA       ASP  26  14.505  13.956  22.862
  218   1HB   ASP  26          2HB       ASP  26  17.411  14.667  22.454
  219   2HB   ASP  26          1HB       ASP  26  16.388  15.349  23.705
  220    H    GLU  27           H        GLU  27  14.151  14.528  20.283
  221    HA   GLU  27           HA       GLU  27  13.955  17.532  19.687
  222   1HB   GLU  27          2HB       GLU  27  15.998  15.967  18.103
  223   2HB   GLU  27          1HB       GLU  27  15.541  17.659  17.899
  224   1HG   GLU  27          2HG       GLU  27  16.474  18.148  20.142
  225   2HG   GLU  27          1HG       GLU  27  16.991  16.482  20.272
  226    H    PHE  28           H        PHE  28  13.860  14.596  18.075
  227    HA   PHE  28           HA       PHE  28  11.672  15.248  16.399
  228   1HB   PHE  28          2HB       PHE  28  13.078  13.258  16.222
  229   2HB   PHE  28          1HB       PHE  28  12.535  12.701  17.782
  230    HD1  PHE  28           HD1      PHE  28  11.301  13.464  14.358
  231    HD2  PHE  28           HD2      PHE  28  10.873  11.136  17.883
  232    HE1  PHE  28           HE1      PHE  28   9.703  11.991  13.202
  233    HE2  PHE  28           HE2      PHE  28   9.270   9.675  16.743
  234    HZ   PHE  28           HZ       PHE  28   8.687  10.100  14.392
  235    H    TYR  29           H        TYR  29   9.545  15.729  17.064
  236    HA   TYR  29           HA       TYR  29   8.861  14.832  19.743
  237   1HB   TYR  29          2HB       TYR  29   9.679  17.190  19.780
  238   2HB   TYR  29          1HB       TYR  29   8.342  17.639  18.737
  239    HD1  TYR  29           HD1      TYR  29   9.066  16.063  22.006
  240    HD2  TYR  29           HD2      TYR  29   6.348  18.416  19.743
  241    HE1  TYR  29           HE1      TYR  29   7.770  16.487  24.024
  242    HE2  TYR  29           HE2      TYR  29   5.022  18.843  21.771
  243    HH   TYR  29           HH       TYR  29   6.242  18.129  24.867
  244    H    ARG  30           H        ARG  30   6.523  16.919  18.618
  245    HA   ARG  30           HA       ARG  30   4.499  15.203  18.518
  246   1HB   ARG  30          2HB       ARG  30   4.432  17.697  18.535
  247   2HB   ARG  30          1HB       ARG  30   4.528  17.643  16.780
  248   1HG   ARG  30          2HG       ARG  30   2.259  17.888  17.226
  249   2HG   ARG  30          1HG       ARG  30   2.455  16.167  16.884
  250   1HD   ARG  30          2HD       ARG  30   2.320  17.427  19.612
  251   2HD   ARG  30          1HD       ARG  30   1.004  16.547  18.836
  252    HE   ARG  30           HE       ARG  30   2.535  14.570  18.962
  253   1HH1  ARG  30          1HH1      ARG  30   2.740  17.213  21.370
  254   2HH1  ARG  30          2HH1      ARG  30   3.538  16.236  22.520
  255   1HH2  ARG  30          1HH2      ARG  30   3.607  13.272  20.623
  256   2HH2  ARG  30          2HH2      ARG  30   4.019  14.003  22.104
  257    H    VAL  31           H        VAL  31   4.084  13.530  16.992
  258    HA   VAL  31           HA       VAL  31   4.970  13.683  14.095
  259    HB   VAL  31           HB       VAL  31   4.557  11.261  15.802
  260   1HG1  VAL  31          1HG1      VAL  31   5.991  11.685  13.184
  261   2HG1  VAL  31          2HG1      VAL  31   4.408  10.945  13.406
  262   3HG1  VAL  31          3HG1      VAL  31   5.849  10.150  14.044
  263   1HG2  VAL  31          1HG2      VAL  31   7.165  12.651  15.262
  264   2HG2  VAL  31          2HG2      VAL  31   6.983  11.056  15.996
  265   3HG2  VAL  31          3HG2      VAL  31   6.369  12.488  16.826
  266    H    PHE  32           H        PHE  32   3.193  13.462  12.463
  267    HA   PHE  32           HA       PHE  32   1.192  11.714  13.195
  268   1HB   PHE  32          2HB       PHE  32   0.771  14.531  12.083
  269   2HB   PHE  32          1HB       PHE  32  -0.445  13.271  12.147
  270    HD1  PHE  32           HD1      PHE  32   1.171  15.957  13.919
  271    HD2  PHE  32           HD2      PHE  32  -1.362  12.570  14.348
  272    HE1  PHE  32           HE1      PHE  32   0.410  16.804  16.096
  273    HE2  PHE  32           HE2      PHE  32  -2.121  13.411  16.523
  274    HZ   PHE  32           HZ       PHE  32  -1.237  15.530  17.401
  275    H    ILE  33           H        ILE  33   1.424  10.273  11.762
  276    HA   ILE  33           HA       ILE  33   2.067  11.084   9.028
  277    HB   ILE  33           HB       ILE  33   3.377   9.038   8.658
  278   1HG1  ILE  33          2HG1      ILE  33   2.380   7.588  10.458
  279   2HG1  ILE  33          1HG1      ILE  33   4.125   7.500  10.381
  280   1HG2  ILE  33          1HG2      ILE  33   5.441   9.577   9.859
  281   2HG2  ILE  33          2HG2      ILE  33   4.524  10.674  10.887
  282   3HG2  ILE  33          3HG2      ILE  33   4.643  10.983   9.155
  283   1HD1  ILE  33          1HD1      ILE  33   2.501   9.028  12.417
  284   2HD1  ILE  33          2HD1      ILE  33   4.261   8.950  12.355
  285   3HD1  ILE  33          3HD1      ILE  33   3.325   7.489  12.667
  286    H    ASN  34           H        ASN  34   0.830   9.529   7.299
  287    HA   ASN  34           HA       ASN  34  -1.013   7.886   8.768
  288   1HB   ASN  34          2HB       ASN  34  -1.556  10.228   7.256
  289   2HB   ASN  34          1HB       ASN  34  -2.098   8.809   6.357
  290   1HD2  ASN  34          1HD2      ASN  34  -2.476  10.667   9.274
  291   2HD2  ASN  34          2HD2      ASN  34  -3.940   9.954   9.785
  292    HA   PRO  35           HA       PRO  35   0.873   4.747   6.321
  293   1HB   PRO  35          2HB       PRO  35   1.173   2.998   8.298
  294   2HB   PRO  35          1HB       PRO  35   2.236   4.411   8.250
  295   1HG   PRO  35          2HG       PRO  35  -0.227   3.963   9.891
  296   2HG   PRO  35          1HG       PRO  35   1.340   4.604  10.401
  297   1HD   PRO  35          2HD       PRO  35  -0.827   6.143   9.773
  298   2HD   PRO  35          1HD       PRO  35   0.846   6.715   9.655
  299    H    TYR  36           H        TYR  36  -1.335   5.268   5.976
  300    HA   TYR  36           HA       TYR  36  -3.168   3.008   6.113
  301   1HB   TYR  36          2HB       TYR  36  -3.589   3.899   8.295
  302   2HB   TYR  36          1HB       TYR  36  -3.724   5.530   7.679
  303    HD1  TYR  36           HD1      TYR  36  -5.452   2.243   7.870
  304    HD2  TYR  36           HD2      TYR  36  -5.780   6.365   6.891
  305    HE1  TYR  36           HE1      TYR  36  -7.909   2.025   7.770
  306    HE2  TYR  36           HE2      TYR  36  -8.214   6.163   6.777
  307    HH   TYR  36           HH       TYR  36  -9.848   4.508   6.427
  308    H    ALA  37           H        ALA  37  -2.371   6.279   5.206
  309    HA   ALA  37           HA       ALA  37  -4.723   6.270   3.551
  310   1HB   ALA  37          1HB       ALA  37  -4.759   7.822   5.418
  311   2HB   ALA  37          2HB       ALA  37  -4.963   8.569   3.837
  312   3HB   ALA  37          3HB       ALA  37  -3.415   8.693   4.677
  313    H    LYS  38           H        LYS  38  -0.979   6.366   2.926
  314    HA   LYS  38           HA       LYS  38   0.006   6.604   1.334
  315   1HB   LYS  38          2HB       LYS  38  -0.863   6.066  -0.952
  316   2HB   LYS  38          1HB       LYS  38  -1.371   4.885   0.230
  317   1HG   LYS  38          2HG       LYS  38  -3.599   6.003   0.280
  318   2HG   LYS  38          1HG       LYS  38  -3.043   7.061  -1.005
  319   1HD   LYS  38          2HD       LYS  38  -2.695   5.095  -2.446
  320   2HD   LYS  38          1HD       LYS  38  -3.287   4.063  -1.138
  321   1HE   LYS  38          2HE       LYS  38  -4.850   6.269  -2.475
  322   2HE   LYS  38          1HE       LYS  38  -5.047   4.544  -2.787
  323   1HZ   LYS  38          1HZ       LYS  38  -5.692   4.255  -0.451
  324   2HZ   LYS  38          2HZ       LYS  38  -6.725   5.329  -1.230
  325   3HZ   LYS  38          3HZ       LYS  38  -5.559   5.908  -0.176
  326    H    VAL  39           H        VAL  39  -0.882   8.806   2.636
  327    HA   VAL  39           HA       VAL  39  -1.577  10.792   0.662
  328    HB   VAL  39           HB       VAL  39  -1.584  10.879   3.707
  329   1HG1  VAL  39          1HG1      VAL  39  -0.866  13.054   2.852
  330   2HG1  VAL  39          2HG1      VAL  39  -2.502  13.154   3.507
  331   3HG1  VAL  39          3HG1      VAL  39  -2.250  13.096   1.763
  332   1HG2  VAL  39          1HG2      VAL  39  -3.778  11.127   1.677
  333   2HG2  VAL  39          2HG2      VAL  39  -3.969  11.242   3.430
  334   3HG2  VAL  39          3HG2      VAL  39  -3.455   9.723   2.687
  335    H    ALA  40           H        ALA  40   0.757  10.431   3.538
  336    HA   ALA  40           HA       ALA  40   2.641  11.043   3.854
  337   1HB   ALA  40          1HB       ALA  40   2.985  10.885   0.885
  338   2HB   ALA  40          2HB       ALA  40   3.205   9.539   2.010
  339   3HB   ALA  40          3HB       ALA  40   4.274  10.942   2.070
  340    H    GLU  41           H        GLU  41   1.473  12.924   4.649
  341    HA   GLU  41           HA       GLU  41   2.919  14.966   3.549
  342   1HB   GLU  41          2HB       GLU  41   0.018  15.106   4.453
  343   2HB   GLU  41          1HB       GLU  41   1.006  16.535   4.248
  344   1HG   GLU  41          2HG       GLU  41   1.213  16.023   1.858
  345   2HG   GLU  41          1HG       GLU  41   0.176  14.613   2.075
  346    H    VAL  42           H        VAL  42   3.889  15.764   5.469
  347    HA   VAL  42           HA       VAL  42   2.893  14.928   8.184
  348    HB   VAL  42           HB       VAL  42   5.775  14.673   7.358
  349   1HG1  VAL  42          1HG1      VAL  42   6.000  13.430   9.450
  350   2HG1  VAL  42          2HG1      VAL  42   4.275  13.654   9.755
  351   3HG1  VAL  42          3HG1      VAL  42   5.346  15.051   9.686
  352   1HG2  VAL  42          1HG2      VAL  42   4.666  12.936   6.071
  353   2HG2  VAL  42          2HG2      VAL  42   3.844  12.357   7.516
  354   3HG2  VAL  42          3HG2      VAL  42   5.599  12.213   7.382
  355    H    VAL  43           H        VAL  43   2.264  16.211   9.191
  356    HA   VAL  43           HA       VAL  43   3.864  18.473   9.141
  357    HB   VAL  43           HB       VAL  43   1.188  18.078  10.566
  358   1HG1  VAL  43          1HG1      VAL  43   2.482  19.742  11.757
  359   2HG1  VAL  43          2HG1      VAL  43   1.114  20.492  10.934
  360   3HG1  VAL  43          3HG1      VAL  43   2.741  20.638  10.260
  361   1HG2  VAL  43          1HG2      VAL  43   0.251  19.551   8.839
  362   2HG2  VAL  43          2HG2      VAL  43   0.980  18.104   8.140
  363   3HG2  VAL  43          3HG2      VAL  43   1.835  19.645   8.071
  364    H    ILE  44           H        ILE  44   5.400  18.421  10.668
  365    HA   ILE  44           HA       ILE  44   5.040  17.046  13.257
  366    HB   ILE  44           HB       ILE  44   5.978  15.341  11.723
  367   1HG1  ILE  44          2HG1      ILE  44   8.133  16.403  13.557
  368   2HG1  ILE  44          1HG1      ILE  44   6.787  15.390  14.068
  369   1HG2  ILE  44          1HG2      ILE  44   8.113  17.356  11.221
  370   2HG2  ILE  44          2HG2      ILE  44   6.934  16.768  10.041
  371   3HG2  ILE  44          3HG2      ILE  44   8.187  15.683  10.670
  372   1HD1  ILE  44          1HD1      ILE  44   8.955  14.621  12.137
  373   2HD1  ILE  44          2HD1      ILE  44   7.603  13.602  12.631
  374   3HD1  ILE  44          3HD1      ILE  44   8.812  14.098  13.816
  375    H    ASP  45           H        ASP  45   5.845  17.681  14.878
  376    HA   ASP  45           HA       ASP  45   7.371  20.189  14.780
  377   1HB   ASP  45          2HB       ASP  45   5.250  19.878  16.263
  378   2HB   ASP  45          1HB       ASP  45   6.220  18.744  17.190
  379    H    ASP  46           H        ASP  46   9.879  19.906  15.519
  380    HA   ASP  46           HA       ASP  46  10.764  17.819  16.558
  381   1HB   ASP  46          2HB       ASP  46  10.365  16.375  14.641
  382   2HB   ASP  46          1HB       ASP  46  10.553  17.711  13.516
  383    H    SER  47           H        SER  47  12.696  18.787  17.185
  384    HA   SER  47           HA       SER  47  13.333  20.929  15.447
  385   1HB   SER  47          2HB       SER  47  13.492  21.085  18.466
  386   2HB   SER  47          1HB       SER  47  13.831  22.385  17.323
  387    HG   SER  47           HG       SER  47  11.459  21.414  18.278
  388    H    LYS  48           H        LYS  48  14.722  19.499  14.483
  389    HA   LYS  48           HA       LYS  48  17.181  19.132  15.965
  390   1HB   LYS  48          2HB       LYS  48  16.384  17.949  13.263
  391   2HB   LYS  48          1HB       LYS  48  17.982  17.771  13.938
  392   1HG   LYS  48          2HG       LYS  48  15.504  16.755  15.230
  393   2HG   LYS  48          1HG       LYS  48  16.456  15.841  14.060
  394   1HD   LYS  48          2HD       LYS  48  17.489  16.942  16.671
  395   2HD   LYS  48          1HD       LYS  48  17.006  15.272  16.391
  396   1HE   LYS  48          2HE       LYS  48  18.747  15.085  14.675
  397   2HE   LYS  48          1HE       LYS  48  19.259  16.738  15.024
  398   1HZ   LYS  48          1HZ       LYS  48  20.666  15.273  16.251
  399   2HZ   LYS  48          2HZ       LYS  48  19.335  14.432  16.874
  400   3HZ   LYS  48          3HZ       LYS  48  19.596  16.021  17.338
  401    H    VAL  49           H        VAL  49  16.082  19.540  12.767
  402    HA   VAL  49           HA       VAL  49  16.499  22.124  11.887
  403    HB   VAL  49           HB       VAL  49  18.818  20.261  11.047
  404   1HG1  VAL  49          1HG1      VAL  49  18.027  22.940   9.915
  405   2HG1  VAL  49          2HG1      VAL  49  17.866  21.381   9.108
  406   3HG1  VAL  49          3HG1      VAL  49  19.468  22.025   9.477
  407   1HG2  VAL  49          1HG2      VAL  49  19.347  21.552  13.074
  408   2HG2  VAL  49          2HG2      VAL  49  18.935  23.042  12.225
  409   3HG2  VAL  49          3HG2      VAL  49  20.315  22.075  11.697
  410    H    ASN  50           H        ASN  50  16.920  18.745  11.161
  411    HA   ASN  50           HA       ASN  50  15.498  17.283  10.300
  412   1HB   ASN  50          2HB       ASN  50  13.482  17.632   9.261
  413   2HB   ASN  50          1HB       ASN  50  13.655  19.190  10.033
  414   1HD2  ASN  50          1HD2      ASN  50  12.200  18.188   7.609
  415   2HD2  ASN  50          2HD2      ASN  50  12.625  19.245   6.342
  416    H    ILE  51           H        ILE  51  17.518  19.267   8.731
  417    HA   ILE  51           HA       ILE  51  17.828  18.204   6.438
  418    HB   ILE  51           HB       ILE  51  19.441  19.801   7.276
  419   1HG1  ILE  51          2HG1      ILE  51  20.948  17.449   6.122
  420   2HG1  ILE  51          1HG1      ILE  51  19.918  18.502   5.168
  421   1HG2  ILE  51          1HG2      ILE  51  21.428  19.128   8.545
  422   2HG2  ILE  51          2HG2      ILE  51  20.791  17.486   8.655
  423   3HG2  ILE  51          3HG2      ILE  51  19.934  18.819   9.430
  424   1HD1  ILE  51          1HD1      ILE  51  22.382  19.332   6.679
  425   2HD1  ILE  51          2HD1      ILE  51  21.365  20.389   5.698
  426   3HD1  ILE  51          3HD1      ILE  51  22.267  19.076   4.939
  427    H    GLU  52           H        GLU  52  18.616  16.166   9.420
  428    HA   GLU  52           HA       GLU  52  19.538  13.999   7.968
  429   1HB   GLU  52          2HB       GLU  52  18.978  12.689  10.084
  430   2HB   GLU  52          1HB       GLU  52  20.132  13.993  10.241
  431   1HG   GLU  52          2HG       GLU  52  17.230  14.348  10.908
  432   2HG   GLU  52          1HG       GLU  52  18.385  13.702  12.077
  433    H    GLU  53           H        GLU  53  16.421  15.021   9.039
  434    HA   GLU  53           HA       GLU  53  14.780  12.971   8.779
  435   1HB   GLU  53          2HB       GLU  53  14.102  15.107   9.495
  436   2HB   GLU  53          1HB       GLU  53  14.291  15.779   7.890
  437   1HG   GLU  53          2HG       GLU  53  12.463  14.231   7.150
  438   2HG   GLU  53          1HG       GLU  53  12.187  13.878   8.861
  439    H    LEU  54           H        LEU  54  15.832  15.447   6.596
  440    HA   LEU  54           HA       LEU  54  14.654  15.001   4.127
  441   1HB   LEU  54          2HB       LEU  54  15.794  17.068   4.752
  442   2HB   LEU  54          1HB       LEU  54  17.331  16.237   4.782
  443    HG   LEU  54           HG       LEU  54  17.118  15.864   2.324
  444   1HD1  LEU  54          1HD1      LEU  54  15.483  17.158   1.074
  445   2HD1  LEU  54          2HD1      LEU  54  14.739  17.695   2.580
  446   3HD1  LEU  54          3HD1      LEU  54  14.693  15.990   2.128
  447   1HD2  LEU  54          1HD2      LEU  54  18.433  17.714   3.186
  448   2HD2  LEU  54          2HD2      LEU  54  16.992  18.721   3.278
  449   3HD2  LEU  54          3HD2      LEU  54  17.599  18.195   1.707
  450    H    LYS  55           H        LYS  55  17.416  13.631   5.629
  451    HA   LYS  55           HA       LYS  55  18.341  12.122   3.271
  452   1HB   LYS  55          2HB       LYS  55  20.142  12.662   4.752
  453   2HB   LYS  55          1HB       LYS  55  19.169  12.307   6.171
  454   1HG   LYS  55          2HG       LYS  55  20.766  10.564   5.926
  455   2HG   LYS  55          1HG       LYS  55  19.186   9.916   5.531
  456   1HD   LYS  55          2HD       LYS  55  19.863  10.356   3.091
  457   2HD   LYS  55          1HD       LYS  55  21.506  10.497   3.734
  458   1HE   LYS  55          2HE       LYS  55  19.648   8.130   3.888
  459   2HE   LYS  55          1HE       LYS  55  21.231   8.217   3.124
  460   1HZ   LYS  55          1HZ       LYS  55  22.218   8.466   5.338
  461   2HZ   LYS  55          2HZ       LYS  55  21.359   7.044   5.203
  462   3HZ   LYS  55          3HZ       LYS  55  20.685   8.331   6.053
  463    H    GLU  56           H        GLU  56  16.609  11.092   6.332
  464    HA   GLU  56           HA       GLU  56  16.527   8.600   5.296
  465   1HB   GLU  56          2HB       GLU  56  14.850   9.947   7.378
  466   2HB   GLU  56          1HB       GLU  56  14.940   8.206   7.120
  467   1HG   GLU  56          2HG       GLU  56  17.205  10.026   7.908
  468   2HG   GLU  56          1HG       GLU  56  16.434   8.843   8.948
  469    H    LYS  57           H        LYS  57  14.029  11.028   5.156
  470    HA   LYS  57           HA       LYS  57  12.313   9.371   3.353
  471   1HB   LYS  57          2HB       LYS  57  10.934  11.282   2.949
  472   2HB   LYS  57          1HB       LYS  57  11.230  11.226   4.680
  473   1HG   LYS  57          2HG       LYS  57  12.870  13.063   4.365
  474   2HG   LYS  57          1HG       LYS  57  12.448  13.100   2.645
  475   1HD   LYS  57          2HD       LYS  57  10.045  13.416   3.341
  476   2HD   LYS  57          1HD       LYS  57  10.620  13.608   4.991
  477   1HE   LYS  57          2HE       LYS  57  11.593  15.311   2.729
  478   2HE   LYS  57          1HE       LYS  57  10.157  15.728   3.640
  479   1HZ   LYS  57          1HZ       LYS  57  12.888  15.422   4.809
  480   2HZ   LYS  57          2HZ       LYS  57  11.513  16.019   5.630
  481   3HZ   LYS  57          3HZ       LYS  57  12.145  16.848   4.325
  482    H    LEU  58           H        LEU  58  14.860  10.930   2.838
  483    HA   LEU  58           HA       LEU  58  14.780  10.673  -0.254
  484   1HB   LEU  58          2HB       LEU  58  16.156  12.538   1.074
  485   2HB   LEU  58          1HB       LEU  58  17.238  11.199   1.364
  486    HG   LEU  58           HG       LEU  58  17.492  10.929  -1.105
  487   1HD1  LEU  58          1HD1      LEU  58  15.936  13.512  -1.173
  488   2HD1  LEU  58          2HD1      LEU  58  15.351  11.957  -1.757
  489   3HD1  LEU  58          3HD1      LEU  58  16.718  12.741  -2.552
  490   1HD2  LEU  58          1HD2      LEU  58  19.088  12.220   0.232
  491   2HD2  LEU  58          2HD2      LEU  58  18.120  13.670  -0.019
  492   3HD2  LEU  58          3HD2      LEU  58  18.905  12.885  -1.390
  493    H    LYS  59           H        LYS  59  15.297   8.417   2.264
  494    HA   LYS  59           HA       LYS  59  16.354   7.016   0.171
  495   1HB   LYS  59          2HB       LYS  59  15.816   6.234   2.957
  496   2HB   LYS  59          1HB       LYS  59  16.123   4.955   1.772
  497   1HG   LYS  59          2HG       LYS  59  17.894   7.358   2.055
  498   2HG   LYS  59          1HG       LYS  59  18.175   5.852   2.946
  499   1HD   LYS  59          2HD       LYS  59  18.690   4.659   1.057
  500   2HD   LYS  59          1HD       LYS  59  17.725   5.654  -0.006
  501   1HE   LYS  59          2HE       LYS  59  20.245   6.616   1.299
  502   2HE   LYS  59          1HE       LYS  59  20.229   5.804  -0.270
  503   1HZ   LYS  59          1HZ       LYS  59  20.213   8.181  -0.532
  504   2HZ   LYS  59          2HZ       LYS  59  18.819   8.360   0.373
  505   3HZ   LYS  59          3HZ       LYS  59  18.774   7.564  -1.109
  506    H    GLY  60           H        GLY  60  13.075   7.347   1.251
  507   1HA   GLY  60          2HA       GLY  60  12.082   5.230  -0.422
  508   2HA   GLY  60          1HA       GLY  60  11.151   6.654   0.097
  509    H    GLU  61           H        GLU  61  12.114   8.468  -0.636
  510    HA   GLU  61           HA       GLU  61  12.737  10.023  -1.870
  511   1HB   GLU  61          2HB       GLU  61  14.783   9.035  -1.813
  512   2HB   GLU  61          1HB       GLU  61  14.395   7.908  -3.081
  513   1HG   GLU  61          2HG       GLU  61  14.684   9.668  -4.720
  514   2HG   GLU  61          1HG       GLU  61  15.111  10.802  -3.436
  515    H    VAL  62           H        VAL  62  11.275   7.901  -3.200
  516    HA   VAL  62           HA       VAL  62  11.684   7.382  -5.654
  517    HB   VAL  62           HB       VAL  62   8.853   6.873  -4.703
  518   1HG1  VAL  62          1HG1      VAL  62   9.959   5.838  -7.310
  519   2HG1  VAL  62          2HG1      VAL  62   8.632   6.986  -7.130
  520   3HG1  VAL  62          3HG1      VAL  62   8.448   5.325  -6.561
  521   1HG2  VAL  62          1HG2      VAL  62  10.685   5.630  -3.671
  522   2HG2  VAL  62          2HG2      VAL  62  11.176   5.027  -5.254
  523   3HG2  VAL  62          3HG2      VAL  62   9.620   4.553  -4.572
  524    H    ILE  63           H        ILE  63   9.117   8.864  -4.499
  525    HA   ILE  63           HA       ILE  63   8.808  11.246  -6.348
  526    HB   ILE  63           HB       ILE  63   6.368  11.280  -6.127
  527   1HG1  ILE  63          2HG1      ILE  63   6.648   8.540  -4.878
  528   2HG1  ILE  63          1HG1      ILE  63   6.205  10.001  -4.010
  529   1HG2  ILE  63          1HG2      ILE  63   7.433   8.751  -7.359
  530   2HG2  ILE  63          2HG2      ILE  63   7.282  10.326  -8.137
  531   3HG2  ILE  63          3HG2      ILE  63   5.835   9.429  -7.663
  532   1HD1  ILE  63          1HD1      ILE  63   4.626   8.656  -6.197
  533   2HD1  ILE  63          2HD1      ILE  63   4.185  10.165  -5.411
  534   3HD1  ILE  63          3HD1      ILE  63   4.241   8.671  -4.471
  535    H    GLU  64           H        GLU  64   9.299  10.450  -3.472
  536    HA   GLU  64           HA       GLU  64   8.256  12.134  -2.740
  537   1HB   GLU  64          2HB       GLU  64   9.208  11.047  -0.715
  538   2HB   GLU  64          1HB       GLU  64  10.715  11.902  -0.968
  539   1HG   GLU  64          2HG       GLU  64   8.236  12.976   0.377
  540   2HG   GLU  64          1HG       GLU  64   9.742  12.529   1.160
  541    H    GLU  65           H        GLU  65   8.803  15.002  -2.221
  542    HA   GLU  65           HA       GLU  65  10.405  15.486  -4.679
  543   1HB   GLU  65          2HB       GLU  65   7.961  16.851  -3.668
  544   2HB   GLU  65          1HB       GLU  65   8.851  17.316  -5.102
  545   1HG   GLU  65          2HG       GLU  65   8.208  15.237  -6.144
  546   2HG   GLU  65          1HG       GLU  65   7.400  14.730  -4.647
  547    H    LYS  66           H        LYS  66   8.984  17.276  -2.298
  548    HA   LYS  66           HA       LYS  66  10.989  19.306  -2.704
  549   1HB   LYS  66          2HB       LYS  66   9.103  21.083  -2.323
  550   2HB   LYS  66          1HB       LYS  66   9.244  20.215  -3.845
  551   1HG   LYS  66          2HG       LYS  66   7.474  18.642  -3.078
  552   2HG   LYS  66          1HG       LYS  66   7.307  19.576  -1.597
  553   1HD   LYS  66          2HD       LYS  66   6.610  21.521  -2.879
  554   2HD   LYS  66          1HD       LYS  66   6.882  20.652  -4.387
  555   1HE   LYS  66          2HE       LYS  66   4.924  19.644  -2.322
  556   2HE   LYS  66          1HE       LYS  66   4.451  20.852  -3.502
  557   1HZ   LYS  66          1HZ       LYS  66   5.397  18.065  -4.195
  558   2HZ   LYS  66          2HZ       LYS  66   5.022  19.260  -5.280
  559   3HZ   LYS  66          3HZ       LYS  66   3.842  18.665  -4.284
  560    H    GLU  67           H        GLU  67  11.745  20.825  -0.537
  561    HA   GLU  67           HA       GLU  67  10.632  19.730   1.776
  562   1HB   GLU  67          2HB       GLU  67  13.097  19.305   1.214
  563   2HB   GLU  67          1HB       GLU  67  13.280  21.044   1.120
  564   1HG   GLU  67          2HG       GLU  67  14.036  20.254   3.253
  565   2HG   GLU  67          1HG       GLU  67  12.573  21.226   3.461
  566    H    ILE  68           H        ILE  68   8.856  21.263   1.155
  567    HA   ILE  68           HA       ILE  68   9.459  24.004   1.680
  568    HB   ILE  68           HB       ILE  68   8.229  23.577  -0.306
  569   1HG1  ILE  68          2HG1      ILE  68   6.233  24.419   1.815
  570   2HG1  ILE  68          1HG1      ILE  68   7.435  25.463   1.068
  571   1HG2  ILE  68          1HG2      ILE  68   6.104  22.367  -0.467
  572   2HG2  ILE  68          2HG2      ILE  68   6.364  21.760   1.169
  573   3HG2  ILE  68          3HG2      ILE  68   7.499  21.349  -0.115
  574   1HD1  ILE  68          1HD1      ILE  68   5.228  25.823   0.120
  575   2HD1  ILE  68          2HD1      ILE  68   5.134  24.123  -0.337
  576   3HD1  ILE  68          3HD1      ILE  68   6.330  25.173  -1.095
  577    H    THR  69           H        THR  69   9.796  23.493   3.900
  578    HA   THR  69           HA       THR  69   8.507  21.731   4.465
  579    HB   THR  69           HB       THR  69  10.572  21.232   5.303
  580    HG1  THR  69           HG1      THR  69  10.309  20.239   7.004
  581   1HG2  THR  69          1HG2      THR  69  11.861  22.677   6.823
  582   2HG2  THR  69          2HG2      THR  69  10.438  23.700   7.037
  583   3HG2  THR  69          3HG2      THR  69  11.198  23.570   5.452
  584    H    LEU  70           H        LEU  70   6.717  23.630   4.605
  585    HA   LEU  70           HA       LEU  70   6.656  25.934   5.945
  586   1HB   LEU  70          2HB       LEU  70   6.242  25.510   3.808
  587   2HB   LEU  70          1HB       LEU  70   4.924  24.425   4.191
  588    HG   LEU  70           HG       LEU  70   3.714  26.345   5.226
  589   1HD1  LEU  70          1HD1      LEU  70   4.476  28.612   4.705
  590   2HD1  LEU  70          2HD1      LEU  70   5.995  27.949   4.092
  591   3HD1  LEU  70          3HD1      LEU  70   5.571  27.763   5.792
  592   1HD2  LEU  70          1HD2      LEU  70   3.105  27.399   3.101
  593   2HD2  LEU  70          2HD2      LEU  70   3.239  25.649   2.945
  594   3HD2  LEU  70          3HD2      LEU  70   4.529  26.689   2.341
  595    H    GLN  71           H        GLN  71   5.066  25.273   8.781
  596    HA   GLN  71           HA       GLN  71   3.375  24.811   9.699
  597   1HB   GLN  71          2HB       GLN  71   3.258  26.973   8.489
  598   2HB   GLN  71          1HB       GLN  71   2.267  26.192   7.276
  599   1HG   GLN  71          2HG       GLN  71   0.524  25.766   9.029
  600   2HG   GLN  71          1HG       GLN  71   1.592  26.521  10.198
  601   1HE2  GLN  71          1HE2      GLN  71   0.026  28.013  10.643
  602   2HE2  GLN  71          2HE2      GLN  71  -0.283  29.369   9.632
  603    H    GLU  72           H        GLU  72   0.964  24.762   7.866
  604    HA   GLU  72           HA       GLU  72   1.156  22.316   6.515
  605   1HB   GLU  72          2HB       GLU  72  -1.214  24.146   6.782
  606   2HB   GLU  72          1HB       GLU  72  -1.296  22.679   5.821
  607   1HG   GLU  72          2HG       GLU  72  -0.696  21.369   7.811
  608   2HG   GLU  72          1HG       GLU  72  -0.693  22.855   8.763
  609    H    LEU  73           H        LEU  73   0.207  23.261   3.323
  610    HA   LEU  73           HA       LEU  73   0.531  24.893   2.226
  611   1HB   LEU  73          2HB       LEU  73  -2.137  24.193   3.211
  612   2HB   LEU  73          1HB       LEU  73  -1.793  25.080   1.733
  613    HG   LEU  73           HG       LEU  73  -0.988  22.250   2.406
  614   1HD1  LEU  73          1HD1      LEU  73  -2.515  21.722   0.564
  615   2HD1  LEU  73          2HD1      LEU  73  -2.961  23.427   0.467
  616   3HD1  LEU  73          3HD1      LEU  73  -3.321  22.499   1.922
  617   1HD2  LEU  73          1HD2      LEU  73  -0.188  22.158   0.071
  618   2HD2  LEU  73          2HD2      LEU  73   0.753  23.281   1.039
  619   3HD2  LEU  73          3HD2      LEU  73  -0.466  23.892  -0.086
  620    H    ILE  74           H        ILE  74  -2.388  25.835   3.150
  621    HA   ILE  74           HA       ILE  74  -2.130  28.189   5.053
  622    HB   ILE  74           HB       ILE  74  -3.157  28.517   2.704
  623   1HG1  ILE  74          2HG1      ILE  74  -5.017  28.893   5.061
  624   2HG1  ILE  74          1HG1      ILE  74  -3.704  29.982   4.629
  625   1HG2  ILE  74          1HG2      ILE  74  -4.171  26.353   2.428
  626   2HG2  ILE  74          2HG2      ILE  74  -5.412  27.605   2.351
  627   3HG2  ILE  74          3HG2      ILE  74  -5.229  26.639   3.810
  628   1HD1  ILE  74          1HD1      ILE  74  -4.810  30.455   2.489
  629   2HD1  ILE  74          2HD1      ILE  74  -5.835  30.846   3.864
  630   3HD1  ILE  74          3HD1      ILE  74  -6.123  29.371   2.943
  Start of MODEL    2
    1    H    SER   1           H        SER   1   6.915  24.020  13.337
    2    HA   SER   1           HA       SER   1   5.801  22.053  13.492
    3   1HB   SER   1          2HB       SER   1   3.948  23.152  11.357
    4   2HB   SER   1          1HB       SER   1   3.805  21.580  12.149
    5    HG   SER   1           HG       SER   1   2.769  22.514  13.667
    6    H    LYS   2           H        LYS   2   5.471  20.722  10.535
    7    HA   LYS   2           HA       LYS   2   7.182  22.159   8.840
    8   1HB   LYS   2          2HB       LYS   2   7.389  19.260   9.679
    9   2HB   LYS   2          1HB       LYS   2   8.267  20.038   8.387
   10   1HG   LYS   2          2HG       LYS   2   9.521  21.335  10.042
   11   2HG   LYS   2          1HG       LYS   2   8.635  20.503  11.334
   12   1HD   LYS   2          2HD       LYS   2   9.412  18.332  10.316
   13   2HD   LYS   2          1HD       LYS   2  10.410  19.287   9.249
   14   1HE   LYS   2          2HE       LYS   2  11.764  20.046  10.987
   15   2HE   LYS   2          1HE       LYS   2  10.602  19.539  12.217
   16   1HZ   LYS   2          1HZ       LYS   2  12.487  17.958  12.010
   17   2HZ   LYS   2          2HZ       LYS   2  11.927  17.564  10.415
   18   3HZ   LYS   2          3HZ       LYS   2  10.996  17.297  11.702
   19    H    TRP   3           H        TRP   3   6.330  21.523   6.784
   20    HA   TRP   3           HA       TRP   3   4.699  19.133   6.698
   21   1HB   TRP   3          2HB       TRP   3   2.959  21.019   6.717
   22   2HB   TRP   3          1HB       TRP   3   3.890  21.822   5.475
   23    HD1  TRP   3           HD1      TRP   3   1.445  18.897   5.965
   24    HE1  TRP   3           HE1      TRP   3   0.451  18.301   3.621
   25    HE3  TRP   3           HE3      TRP   3   4.368  21.860   2.991
   26    HZ2  TRP   3           HZ2      TRP   3   0.860  18.962   0.968
   27    HZ3  TRP   3           HZ3      TRP   3   3.995  21.821   0.561
   28    HH2  TRP   3           HH2      TRP   3   2.274  20.397  -0.430
   29    H    ILE   4           H        ILE   4   5.653  17.791   6.010
   30    HA   ILE   4           HA       ILE   4   7.280  18.255   3.545
   31    HB   ILE   4           HB       ILE   4   8.691  16.557   4.441
   32   1HG1  ILE   4          2HG1      ILE   4   6.921  16.445   6.906
   33   2HG1  ILE   4          1HG1      ILE   4   6.882  15.285   5.587
   34   1HG2  ILE   4          1HG2      ILE   4   8.241  18.605   6.611
   35   2HG2  ILE   4          2HG2      ILE   4   9.299  18.782   5.211
   36   3HG2  ILE   4          3HG2      ILE   4   9.680  17.597   6.457
   37   1HD1  ILE   4          1HD1      ILE   4   8.084  14.431   7.515
   38   2HD1  ILE   4          2HD1      ILE   4   9.206  15.792   7.427
   39   3HD1  ILE   4          3HD1      ILE   4   9.152  14.608   6.123
   40    H    LYS   5           H        LYS   5   7.002  16.530   1.907
   41    HA   LYS   5           HA       LYS   5   4.627  15.055   2.302
   42   1HB   LYS   5          2HB       LYS   5   5.591  16.536   0.319
   43   2HB   LYS   5          1HB       LYS   5   6.585  15.122   0.025
   44   1HG   LYS   5          2HG       LYS   5   4.527  13.765  -0.249
   45   2HG   LYS   5          1HG       LYS   5   3.576  15.212   0.037
   46   1HD   LYS   5          2HD       LYS   5   4.693  16.255  -1.932
   47   2HD   LYS   5          1HD       LYS   5   5.449  14.693  -2.260
   48   1HE   LYS   5          2HE       LYS   5   3.164  13.689  -2.324
   49   2HE   LYS   5          1HE       LYS   5   2.500  15.305  -2.171
   50   1HZ   LYS   5          1HZ       LYS   5   2.483  14.781  -4.435
   51   2HZ   LYS   5          2HZ       LYS   5   4.037  14.174  -4.427
   52   3HZ   LYS   5          3HZ       LYS   5   3.814  15.822  -4.300
   53    H    PHE   6           H        PHE   6   5.849  13.134   0.566
   54    HA   PHE   6           HA       PHE   6   7.499  11.126   0.890
   55   1HB   PHE   6          2HB       PHE   6   7.217  11.550   3.680
   56   2HB   PHE   6          1HB       PHE   6   5.681  10.788   3.393
   57    HD1  PHE   6           HD1      PHE   6   5.519   8.459   3.628
   58    HD2  PHE   6           HD2      PHE   6   9.339  10.227   3.083
   59    HE1  PHE   6           HE1      PHE   6   6.577   6.285   4.089
   60    HE2  PHE   6           HE2      PHE   6  10.417   8.053   3.537
   61    HZ   PHE   6           HZ       PHE   6   9.033   6.079   4.046
   62    H    THR   7           H        THR   7   6.270   9.098   1.588
   63    HA   THR   7           HA       THR   7   6.007   8.241  -1.324
   64    HB   THR   7           HB       THR   7   6.453   6.670   1.166
   65    HG1  THR   7           HG1      THR   7   8.026   8.531   0.490
   66   1HG2  THR   7          1HG2      THR   7   7.413   5.147  -0.512
   67   2HG2  THR   7          2HG2      THR   7   7.210   6.370  -1.760
   68   3HG2  THR   7          3HG2      THR   7   5.791   5.635  -1.011
   69    H    THR   8           H        THR   8   4.039   7.525  -1.939
   70    HA   THR   8           HA       THR   8   1.914   7.572   0.094
   71    HB   THR   8           HB       THR   8   0.479   8.252  -1.916
   72    HG1  THR   8           HG1      THR   8   1.995   7.391  -3.429
   73   1HG2  THR   8          1HG2      THR   8   1.382   9.987  -0.428
   74   2HG2  THR   8          2HG2      THR   8   1.315  10.550  -2.101
   75   3HG2  THR   8          3HG2      THR   8   2.852  10.048  -1.401
   76    H    ASN   9           H        ASN   9   2.059   5.131   0.352
   77    HA   ASN   9           HA       ASN   9   1.921   3.423  -2.086
   78   1HB   ASN   9          2HB       ASN   9   4.126   4.416  -2.095
   79   2HB   ASN   9          1HB       ASN   9   4.421   3.774  -0.493
   80   1HD2  ASN   9          1HD2      ASN   9   5.988   2.411  -1.000
   81   2HD2  ASN   9          2HD2      ASN   9   5.844   1.049  -2.058
   82    H    LEU  10           H        LEU  10   3.599   3.139   0.860
   83    HA   LEU  10           HA       LEU  10   2.248   0.508   1.504
   84   1HB   LEU  10          2HB       LEU  10   4.457   0.474   0.261
   85   2HB   LEU  10          1HB       LEU  10   5.135   1.315   1.622
   86    HG   LEU  10           HG       LEU  10   4.541  -0.603   3.056
   87   1HD1  LEU  10          1HD1      LEU  10   2.658  -1.500   1.712
   88   2HD1  LEU  10          2HD1      LEU  10   3.901  -2.728   1.947
   89   3HD1  LEU  10          3HD1      LEU  10   3.785  -1.879   0.409
   90   1HD2  LEU  10          1HD2      LEU  10   6.218  -1.224   0.634
   91   2HD2  LEU  10          2HD2      LEU  10   6.237  -2.137   2.138
   92   3HD2  LEU  10          3HD2      LEU  10   6.769  -0.460   2.125
   93    H    THR  11           H        THR  11   0.920   1.257   2.896
   94    HA   THR  11           HA       THR  11   1.164   2.327   5.128
   95    HB   THR  11           HB       THR  11  -0.167   0.386   6.197
   96    HG1  THR  11           HG1      THR  11  -0.028  -1.406   5.125
   97   1HG2  THR  11          1HG2      THR  11  -1.052   1.552   3.560
   98   2HG2  THR  11          2HG2      THR  11  -1.235   2.308   5.145
   99   3HG2  THR  11          3HG2      THR  11  -2.117   0.829   4.763
  100    HA   PRO  12           HA       PRO  12   4.069  -0.002   7.139
  101   1HB   PRO  12          2HB       PRO  12   5.444  -2.331   6.114
  102   2HB   PRO  12          1HB       PRO  12   4.346  -2.228   7.491
  103   1HG   PRO  12          2HG       PRO  12   3.783  -3.337   4.948
  104   2HG   PRO  12          1HG       PRO  12   2.637  -3.055   6.265
  105   1HD   PRO  12          2HD       PRO  12   3.094  -1.500   3.799
  106   2HD   PRO  12          1HD       PRO  12   1.670  -1.584   4.828
  107    H    GLU  13           H        GLU  13   4.689   1.884   5.613
  108    HA   GLU  13           HA       GLU  13   7.596   2.209   5.197
  109   1HB   GLU  13          2HB       GLU  13   6.698   1.344   2.921
  110   2HB   GLU  13          1HB       GLU  13   5.616   2.729   2.975
  111   1HG   GLU  13          2HG       GLU  13   7.540   4.216   2.958
  112   2HG   GLU  13          1HG       GLU  13   8.616   2.816   2.910
  113    H    GLU  14           H        GLU  14   4.551   4.181   4.702
  114    HA   GLU  14           HA       GLU  14   5.512   6.126   6.146
  115   1HB   GLU  14          2HB       GLU  14   2.743   4.912   6.088
  116   2HB   GLU  14          1HB       GLU  14   3.078   6.550   6.646
  117   1HG   GLU  14          2HG       GLU  14   3.904   7.099   4.346
  118   2HG   GLU  14          1HG       GLU  14   3.474   5.477   3.835
  119    H    ALA  15           H        ALA  15   5.547   3.086   7.224
  120    HA   ALA  15           HA       ALA  15   5.479   3.539  10.208
  121   1HB   ALA  15          1HB       ALA  15   4.092   1.600   9.222
  122   2HB   ALA  15          2HB       ALA  15   5.403   1.181  10.324
  123   3HB   ALA  15          3HB       ALA  15   5.626   1.011   8.580
  124    H    LYS  16           H        LYS  16   7.561   2.568   7.555
  125    HA   LYS  16           HA       LYS  16   9.714   2.033   9.285
  126   1HB   LYS  16          2HB       LYS  16   9.777   2.854   6.383
  127   2HB   LYS  16          1HB       LYS  16  11.169   2.282   7.288
  128   1HG   LYS  16          2HG       LYS  16   9.989   0.136   7.667
  129   2HG   LYS  16          1HG       LYS  16   8.667   0.720   6.660
  130   1HD   LYS  16          2HD       LYS  16  10.080  -0.669   5.300
  131   2HD   LYS  16          1HD       LYS  16  10.322   1.004   4.796
  132   1HE   LYS  16          2HE       LYS  16  12.377   1.105   6.158
  133   2HE   LYS  16          1HE       LYS  16  12.119  -0.566   6.648
  134   1HZ   LYS  16          1HZ       LYS  16  13.733  -0.390   4.879
  135   2HZ   LYS  16          2HZ       LYS  16  12.634   0.371   3.867
  136   3HZ   LYS  16          3HZ       LYS  16  12.383  -1.226   4.338
  137    H    ILE  17           H        ILE  17   8.602   5.136   7.850
  138    HA   ILE  17           HA       ILE  17  10.676   7.013   8.391
  139    HB   ILE  17           HB       ILE  17   8.468   7.160   7.076
  140   1HG1  ILE  17          2HG1      ILE  17   8.184   9.563   7.782
  141   2HG1  ILE  17          1HG1      ILE  17   9.328   9.252   9.079
  142   1HG2  ILE  17          1HG2      ILE  17   6.930   6.304   8.695
  143   2HG2  ILE  17          2HG2      ILE  17   6.550   7.989   8.333
  144   3HG2  ILE  17          3HG2      ILE  17   7.373   7.573   9.835
  145   1HD1  ILE  17          1HD1      ILE  17  11.061   8.734   7.431
  146   2HD1  ILE  17          2HD1      ILE  17  10.379  10.335   7.166
  147   3HD1  ILE  17          3HD1      ILE  17   9.895   8.994   6.133
  148    H    VAL  18           H        VAL  18   8.454   5.385  10.584
  149    HA   VAL  18           HA       VAL  18   8.895   7.316  12.593
  150    HB   VAL  18           HB       VAL  18   7.874   4.466  12.818
  151   1HG1  VAL  18          1HG1      VAL  18   8.734   5.244  14.985
  152   2HG1  VAL  18          2HG1      VAL  18   6.975   5.118  15.007
  153   3HG1  VAL  18          3HG1      VAL  18   7.743   6.698  14.863
  154   1HG2  VAL  18          1HG2      VAL  18   6.435   7.111  12.695
  155   2HG2  VAL  18          2HG2      VAL  18   5.670   5.550  12.969
  156   3HG2  VAL  18          3HG2      VAL  18   6.476   5.879  11.435
  157    H    GLN  19           H        GLN  19  10.522   4.281  11.711
  158    HA   GLN  19           HA       GLN  19  12.139   4.263  14.063
  159   1HB   GLN  19          2HB       GLN  19  11.583   2.189  12.816
  160   2HB   GLN  19          1HB       GLN  19  12.530   2.781  11.460
  161   1HG   GLN  19          2HG       GLN  19  14.527   2.813  12.895
  162   2HG   GLN  19          1HG       GLN  19  13.564   2.143  14.209
  163   1HE2  GLN  19          1HE2      GLN  19  15.135   1.518  11.212
  164   2HE2  GLN  19          2HE2      GLN  19  14.915  -0.184  11.230
  165    H    TYR  20           H        TYR  20  12.499   5.160  10.949
  166    HA   TYR  20           HA       TYR  20  15.200   5.833  10.989
  167   1HB   TYR  20          2HB       TYR  20  13.283   7.345   9.201
  168   2HB   TYR  20          1HB       TYR  20  15.028   7.446   9.058
  169    HD1  TYR  20           HD1      TYR  20  12.444   6.249   7.374
  170    HD2  TYR  20           HD2      TYR  20  15.954   4.725   9.236
  171    HE1  TYR  20           HE1      TYR  20  12.445   4.354   5.813
  172    HE2  TYR  20           HE2      TYR  20  15.958   2.830   7.678
  173    HH   TYR  20           HH       TYR  20  14.252   2.820   4.893
  174    H    GLU  21           H        GLU  21  12.649   8.188  11.290
  175    HA   GLU  21           HA       GLU  21  14.241  10.105  12.608
  176   1HB   GLU  21          2HB       GLU  21  11.333   9.900  11.995
  177   2HB   GLU  21          1HB       GLU  21  11.928  11.165  13.058
  178   1HG   GLU  21          2HG       GLU  21  11.720  12.002  10.785
  179   2HG   GLU  21          1HG       GLU  21  13.397  11.997  11.288
  180    H    LEU  22           H        LEU  22  13.480   7.459  13.733
  181    HA   LEU  22           HA       LEU  22  13.156   7.902  16.902
  182   1HB   LEU  22          2HB       LEU  22  12.097   5.753  15.455
  183   2HB   LEU  22          1HB       LEU  22  13.819   5.442  15.431
  184    HG   LEU  22           HG       LEU  22  13.783   5.517  17.936
  185   1HD1  LEU  22          1HD1      LEU  22  11.621   5.289  19.057
  186   2HD1  LEU  22          2HD1      LEU  22  10.795   5.550  17.521
  187   3HD1  LEU  22          3HD1      LEU  22  11.757   6.845  18.237
  188   1HD2  LEU  22          1HD2      LEU  22  13.767   3.413  16.719
  189   2HD2  LEU  22          2HD2      LEU  22  12.015   3.497  16.563
  190   3HD2  LEU  22          3HD2      LEU  22  12.746   3.292  18.153
  191    H    SER  23           H        SER  23  15.796   6.839  15.079
  192    HA   SER  23           HA       SER  23  17.403   7.363  16.941
  193   1HB   SER  23          2HB       SER  23  17.680   8.419  14.148
  194   2HB   SER  23          1HB       SER  23  18.983   7.874  15.214
  195    HG   SER  23           HG       SER  23  18.202   5.805  15.126
  196    H    THR  24           H        THR  24  15.586   9.943  15.417
  197    HA   THR  24           HA       THR  24  17.104  12.243  16.076
  198    HB   THR  24           HB       THR  24  14.205  11.852  15.306
  199    HG1  THR  24           HG1      THR  24  15.063  11.808  13.159
  200   1HG2  THR  24          1HG2      THR  24  14.518  13.909  14.062
  201   2HG2  THR  24          2HG2      THR  24  16.212  13.941  14.556
  202   3HG2  THR  24          3HG2      THR  24  14.944  14.181  15.757
  203    H    ARG  25           H        ARG  25  16.195  10.555  18.070
  204    HA   ARG  25           HA       ARG  25  13.974  10.610  19.546
  205   1HB   ARG  25          2HB       ARG  25  16.496  10.572  21.201
  206   2HB   ARG  25          1HB       ARG  25  14.951   9.897  21.667
  207   1HG   ARG  25          2HG       ARG  25  15.197   8.438  19.565
  208   2HG   ARG  25          1HG       ARG  25  16.888   8.926  19.620
  209   1HD   ARG  25          2HD       ARG  25  16.753   6.870  20.780
  210   2HD   ARG  25          1HD       ARG  25  16.887   8.134  22.013
  211    HE   ARG  25           HE       ARG  25  14.304   7.977  21.840
  212   1HH1  ARG  25          1HH1      ARG  25  16.616   5.289  22.040
  213   2HH1  ARG  25          2HH1      ARG  25  15.484   4.199  22.689
  214   1HH2  ARG  25          1HH2      ARG  25  12.778   6.463  22.709
  215   2HH2  ARG  25          2HH2      ARG  25  13.277   4.881  23.081
  216    H    ASP  26           H        ASP  26  16.427  12.585  21.317
  217    HA   ASP  26           HA       ASP  26  14.505  13.956  22.862
  218   1HB   ASP  26          2HB       ASP  26  17.411  14.667  22.454
  219   2HB   ASP  26          1HB       ASP  26  16.388  15.349  23.705
  220    H    GLU  27           H        GLU  27  14.151  14.528  20.283
  221    HA   GLU  27           HA       GLU  27  13.955  17.532  19.687
  222   1HB   GLU  27          2HB       GLU  27  15.998  15.967  18.103
  223   2HB   GLU  27          1HB       GLU  27  15.541  17.659  17.899
  224   1HG   GLU  27          2HG       GLU  27  16.474  18.148  20.142
  225   2HG   GLU  27          1HG       GLU  27  16.991  16.482  20.272
  226    H    PHE  28           H        PHE  28  13.860  14.596  18.075
  227    HA   PHE  28           HA       PHE  28  11.672  15.248  16.399
  228   1HB   PHE  28          2HB       PHE  28  13.078  13.258  16.222
  229   2HB   PHE  28          1HB       PHE  28  12.535  12.701  17.782
  230    HD1  PHE  28           HD1      PHE  28  11.301  13.464  14.358
  231    HD2  PHE  28           HD2      PHE  28  10.873  11.136  17.883
  232    HE1  PHE  28           HE1      PHE  28   9.703  11.991  13.202
  233    HE2  PHE  28           HE2      PHE  28   9.270   9.675  16.743
  234    HZ   PHE  28           HZ       PHE  28   8.687  10.100  14.392
  235    H    TYR  29           H        TYR  29   9.545  15.729  17.064
  236    HA   TYR  29           HA       TYR  29   8.861  14.832  19.743
  237   1HB   TYR  29          2HB       TYR  29   9.679  17.190  19.780
  238   2HB   TYR  29          1HB       TYR  29   8.342  17.639  18.737
  239    HD1  TYR  29           HD1      TYR  29   9.066  16.063  22.006
  240    HD2  TYR  29           HD2      TYR  29   6.348  18.416  19.743
  241    HE1  TYR  29           HE1      TYR  29   7.770  16.487  24.024
  242    HE2  TYR  29           HE2      TYR  29   5.022  18.843  21.771
  243    HH   TYR  29           HH       TYR  29   6.242  18.129  24.867
  244    H    ARG  30           H        ARG  30   6.523  16.919  18.618
  245    HA   ARG  30           HA       ARG  30   4.499  15.203  18.518
  246   1HB   ARG  30          2HB       ARG  30   4.432  17.697  18.535
  247   2HB   ARG  30          1HB       ARG  30   4.528  17.643  16.780
  248   1HG   ARG  30          2HG       ARG  30   2.259  17.888  17.226
  249   2HG   ARG  30          1HG       ARG  30   2.455  16.167  16.884
  250   1HD   ARG  30          2HD       ARG  30   2.320  17.427  19.612
  251   2HD   ARG  30          1HD       ARG  30   1.004  16.547  18.836
  252    HE   ARG  30           HE       ARG  30   2.535  14.570  18.962
  253   1HH1  ARG  30          1HH1      ARG  30   2.740  17.213  21.370
  254   2HH1  ARG  30          2HH1      ARG  30   3.538  16.236  22.520
  255   1HH2  ARG  30          1HH2      ARG  30   3.607  13.272  20.623
  256   2HH2  ARG  30          2HH2      ARG  30   4.019  14.003  22.104
  257    H    VAL  31           H        VAL  31   4.084  13.530  16.992
  258    HA   VAL  31           HA       VAL  31   4.970  13.683  14.095
  259    HB   VAL  31           HB       VAL  31   4.557  11.261  15.802
  260   1HG1  VAL  31          1HG1      VAL  31   5.991  11.685  13.184
  261   2HG1  VAL  31          2HG1      VAL  31   4.408  10.945  13.406
  262   3HG1  VAL  31          3HG1      VAL  31   5.849  10.150  14.044
  263   1HG2  VAL  31          1HG2      VAL  31   7.165  12.651  15.262
  264   2HG2  VAL  31          2HG2      VAL  31   6.983  11.056  15.996
  265   3HG2  VAL  31          3HG2      VAL  31   6.369  12.488  16.826
  266    H    PHE  32           H        PHE  32   3.193  13.462  12.463
  267    HA   PHE  32           HA       PHE  32   1.192  11.714  13.195
  268   1HB   PHE  32          2HB       PHE  32   0.771  14.531  12.083
  269   2HB   PHE  32          1HB       PHE  32  -0.445  13.271  12.147
  270    HD1  PHE  32           HD1      PHE  32   1.171  15.957  13.919
  271    HD2  PHE  32           HD2      PHE  32  -1.362  12.570  14.348
  272    HE1  PHE  32           HE1      PHE  32   0.410  16.804  16.096
  273    HE2  PHE  32           HE2      PHE  32  -2.121  13.411  16.523
  274    HZ   PHE  32           HZ       PHE  32  -1.237  15.530  17.401
  275    H    ILE  33           H        ILE  33   1.424  10.273  11.762
  276    HA   ILE  33           HA       ILE  33   2.067  11.084   9.028
  277    HB   ILE  33           HB       ILE  33   3.377   9.038   8.658
  278   1HG1  ILE  33          2HG1      ILE  33   2.380   7.588  10.458
  279   2HG1  ILE  33          1HG1      ILE  33   4.125   7.500  10.381
  280   1HG2  ILE  33          1HG2      ILE  33   5.441   9.577   9.859
  281   2HG2  ILE  33          2HG2      ILE  33   4.524  10.674  10.887
  282   3HG2  ILE  33          3HG2      ILE  33   4.643  10.983   9.155
  283   1HD1  ILE  33          1HD1      ILE  33   2.501   9.028  12.417
  284   2HD1  ILE  33          2HD1      ILE  33   4.261   8.950  12.355
  285   3HD1  ILE  33          3HD1      ILE  33   3.325   7.489  12.667
  286    H    ASN  34           H        ASN  34   0.830   9.529   7.299
  287    HA   ASN  34           HA       ASN  34  -1.013   7.886   8.768
  288   1HB   ASN  34          2HB       ASN  34  -1.556  10.228   7.256
  289   2HB   ASN  34          1HB       ASN  34  -2.098   8.809   6.357
  290   1HD2  ASN  34          1HD2      ASN  34  -2.476  10.667   9.274
  291   2HD2  ASN  34          2HD2      ASN  34  -3.940   9.954   9.785
  292    HA   PRO  35           HA       PRO  35   0.873   4.747   6.321
  293   1HB   PRO  35          2HB       PRO  35   1.173   2.998   8.298
  294   2HB   PRO  35          1HB       PRO  35   2.236   4.411   8.250
  295   1HG   PRO  35          2HG       PRO  35  -0.227   3.963   9.891
  296   2HG   PRO  35          1HG       PRO  35   1.340   4.604  10.401
  297   1HD   PRO  35          2HD       PRO  35  -0.827   6.143   9.773
  298   2HD   PRO  35          1HD       PRO  35   0.846   6.715   9.655
  299    H    TYR  36           H        TYR  36  -1.335   5.268   5.976
  300    HA   TYR  36           HA       TYR  36  -3.168   3.008   6.113
  301   1HB   TYR  36          2HB       TYR  36  -3.589   3.899   8.295
  302   2HB   TYR  36          1HB       TYR  36  -3.724   5.530   7.679
  303    HD1  TYR  36           HD1      TYR  36  -5.452   2.243   7.870
  304    HD2  TYR  36           HD2      TYR  36  -5.780   6.365   6.891
  305    HE1  TYR  36           HE1      TYR  36  -7.909   2.025   7.770
  306    HE2  TYR  36           HE2      TYR  36  -8.214   6.163   6.777
  307    HH   TYR  36           HH       TYR  36  -9.848   4.508   6.427
  308    H    ALA  37           H        ALA  37  -2.371   6.279   5.206
  309    HA   ALA  37           HA       ALA  37  -4.723   6.270   3.551
  310   1HB   ALA  37          1HB       ALA  37  -4.759   7.822   5.418
  311   2HB   ALA  37          2HB       ALA  37  -4.963   8.569   3.837
  312   3HB   ALA  37          3HB       ALA  37  -3.415   8.693   4.677
  313    H    LYS  38           H        LYS  38  -0.979   6.366   2.926
  314    HA   LYS  38           HA       LYS  38   0.006   6.604   1.334
  315   1HB   LYS  38          2HB       LYS  38  -0.863   6.066  -0.952
  316   2HB   LYS  38          1HB       LYS  38  -1.371   4.885   0.230
  317   1HG   LYS  38          2HG       LYS  38  -3.599   6.003   0.280
  318   2HG   LYS  38          1HG       LYS  38  -3.043   7.061  -1.005
  319   1HD   LYS  38          2HD       LYS  38  -2.695   5.095  -2.446
  320   2HD   LYS  38          1HD       LYS  38  -3.287   4.063  -1.138
  321   1HE   LYS  38          2HE       LYS  38  -4.850   6.269  -2.475
  322   2HE   LYS  38          1HE       LYS  38  -5.047   4.544  -2.787
  323   1HZ   LYS  38          1HZ       LYS  38  -5.692   4.255  -0.451
  324   2HZ   LYS  38          2HZ       LYS  38  -6.725   5.329  -1.230
  325   3HZ   LYS  38          3HZ       LYS  38  -5.559   5.908  -0.176
  326    H    VAL  39           H        VAL  39  -0.882   8.806   2.636
  327    HA   VAL  39           HA       VAL  39  -1.577  10.792   0.662
  328    HB   VAL  39           HB       VAL  39  -1.584  10.879   3.707
  329   1HG1  VAL  39          1HG1      VAL  39  -0.866  13.054   2.852
  330   2HG1  VAL  39          2HG1      VAL  39  -2.502  13.154   3.507
  331   3HG1  VAL  39          3HG1      VAL  39  -2.250  13.096   1.763
  332   1HG2  VAL  39          1HG2      VAL  39  -3.778  11.127   1.677
  333   2HG2  VAL  39          2HG2      VAL  39  -3.969  11.242   3.430
  334   3HG2  VAL  39          3HG2      VAL  39  -3.455   9.723   2.687
  335    H    ALA  40           H        ALA  40   0.757  10.431   3.538
  336    HA   ALA  40           HA       ALA  40   2.641  11.043   3.854
  337   1HB   ALA  40          1HB       ALA  40   2.985  10.885   0.885
  338   2HB   ALA  40          2HB       ALA  40   3.205   9.539   2.010
  339   3HB   ALA  40          3HB       ALA  40   4.274  10.942   2.070
  340    H    GLU  41           H        GLU  41   1.473  12.924   4.649
  341    HA   GLU  41           HA       GLU  41   2.919  14.966   3.549
  342   1HB   GLU  41          2HB       GLU  41   0.018  15.106   4.453
  343   2HB   GLU  41          1HB       GLU  41   1.006  16.535   4.248
  344   1HG   GLU  41          2HG       GLU  41   1.213  16.023   1.858
  345   2HG   GLU  41          1HG       GLU  41   0.176  14.613   2.075
  346    H    VAL  42           H        VAL  42   3.889  15.764   5.469
  347    HA   VAL  42           HA       VAL  42   2.893  14.928   8.184
  348    HB   VAL  42           HB       VAL  42   5.775  14.673   7.358
  349   1HG1  VAL  42          1HG1      VAL  42   6.000  13.430   9.450
  350   2HG1  VAL  42          2HG1      VAL  42   4.275  13.654   9.755
  351   3HG1  VAL  42          3HG1      VAL  42   5.346  15.051   9.686
  352   1HG2  VAL  42          1HG2      VAL  42   4.666  12.936   6.071
  353   2HG2  VAL  42          2HG2      VAL  42   3.844  12.357   7.516
  354   3HG2  VAL  42          3HG2      VAL  42   5.599  12.213   7.382
  355    H    VAL  43           H        VAL  43   2.264  16.211   9.191
  356    HA   VAL  43           HA       VAL  43   3.864  18.473   9.141
  357    HB   VAL  43           HB       VAL  43   1.188  18.078  10.566
  358   1HG1  VAL  43          1HG1      VAL  43   2.482  19.742  11.757
  359   2HG1  VAL  43          2HG1      VAL  43   1.114  20.492  10.934
  360   3HG1  VAL  43          3HG1      VAL  43   2.741  20.638  10.260
  361   1HG2  VAL  43          1HG2      VAL  43   0.251  19.551   8.839
  362   2HG2  VAL  43          2HG2      VAL  43   0.980  18.104   8.140
  363   3HG2  VAL  43          3HG2      VAL  43   1.835  19.645   8.071
  364    H    ILE  44           H        ILE  44   5.400  18.421  10.668
  365    HA   ILE  44           HA       ILE  44   5.040  17.046  13.257
  366    HB   ILE  44           HB       ILE  44   5.978  15.341  11.723
  367   1HG1  ILE  44          2HG1      ILE  44   8.133  16.403  13.557
  368   2HG1  ILE  44          1HG1      ILE  44   6.787  15.390  14.068
  369   1HG2  ILE  44          1HG2      ILE  44   8.113  17.356  11.221
  370   2HG2  ILE  44          2HG2      ILE  44   6.934  16.768  10.041
  371   3HG2  ILE  44          3HG2      ILE  44   8.187  15.683  10.670
  372   1HD1  ILE  44          1HD1      ILE  44   8.955  14.621  12.137
  373   2HD1  ILE  44          2HD1      ILE  44   7.603  13.602  12.631
  374   3HD1  ILE  44          3HD1      ILE  44   8.812  14.098  13.816
  375    H    ASP  45           H        ASP  45   5.845  17.681  14.878
  376    HA   ASP  45           HA       ASP  45   7.371  20.189  14.780
  377   1HB   ASP  45          2HB       ASP  45   5.250  19.878  16.263
  378   2HB   ASP  45          1HB       ASP  45   6.220  18.744  17.190
  379    H    ASP  46           H        ASP  46   9.879  19.906  15.519
  380    HA   ASP  46           HA       ASP  46  10.764  17.819  16.558
  381   1HB   ASP  46          2HB       ASP  46  10.365  16.375  14.641
  382   2HB   ASP  46          1HB       ASP  46  10.553  17.711  13.516
  383    H    SER  47           H        SER  47  12.696  18.787  17.185
  384    HA   SER  47           HA       SER  47  13.333  20.929  15.447
  385   1HB   SER  47          2HB       SER  47  13.492  21.085  18.466
  386   2HB   SER  47          1HB       SER  47  13.831  22.385  17.323
  387    HG   SER  47           HG       SER  47  11.459  21.414  18.278
  388    H    LYS  48           H        LYS  48  14.722  19.499  14.483
  389    HA   LYS  48           HA       LYS  48  17.181  19.132  15.965
  390   1HB   LYS  48          2HB       LYS  48  16.384  17.949  13.263
  391   2HB   LYS  48          1HB       LYS  48  17.982  17.771  13.938
  392   1HG   LYS  48          2HG       LYS  48  15.504  16.755  15.230
  393   2HG   LYS  48          1HG       LYS  48  16.456  15.841  14.060
  394   1HD   LYS  48          2HD       LYS  48  17.489  16.942  16.671
  395   2HD   LYS  48          1HD       LYS  48  17.006  15.272  16.391
  396   1HE   LYS  48          2HE       LYS  48  18.747  15.085  14.675
  397   2HE   LYS  48          1HE       LYS  48  19.259  16.738  15.024
  398   1HZ   LYS  48          1HZ       LYS  48  20.666  15.273  16.251
  399   2HZ   LYS  48          2HZ       LYS  48  19.335  14.432  16.874
  400   3HZ   LYS  48          3HZ       LYS  48  19.596  16.021  17.338
  401    H    VAL  49           H        VAL  49  16.082  19.540  12.767
  402    HA   VAL  49           HA       VAL  49  16.499  22.124  11.887
  403    HB   VAL  49           HB       VAL  49  18.818  20.261  11.047
  404   1HG1  VAL  49          1HG1      VAL  49  18.027  22.940   9.915
  405   2HG1  VAL  49          2HG1      VAL  49  17.866  21.381   9.108
  406   3HG1  VAL  49          3HG1      VAL  49  19.468  22.025   9.477
  407   1HG2  VAL  49          1HG2      VAL  49  19.347  21.552  13.074
  408   2HG2  VAL  49          2HG2      VAL  49  18.935  23.042  12.225
  409   3HG2  VAL  49          3HG2      VAL  49  20.315  22.075  11.697
  410    H    ASN  50           H        ASN  50  16.920  18.745  11.161
  411    HA   ASN  50           HA       ASN  50  15.498  17.283  10.300
  412   1HB   ASN  50          2HB       ASN  50  13.482  17.632   9.261
  413   2HB   ASN  50          1HB       ASN  50  13.655  19.190  10.033
  414   1HD2  ASN  50          1HD2      ASN  50  12.200  18.188   7.609
  415   2HD2  ASN  50          2HD2      ASN  50  12.625  19.245   6.342
  416    H    ILE  51           H        ILE  51  17.518  19.267   8.731
  417    HA   ILE  51           HA       ILE  51  17.828  18.204   6.438
  418    HB   ILE  51           HB       ILE  51  19.441  19.801   7.276
  419   1HG1  ILE  51          2HG1      ILE  51  20.948  17.449   6.122
  420   2HG1  ILE  51          1HG1      ILE  51  19.918  18.502   5.168
  421   1HG2  ILE  51          1HG2      ILE  51  21.428  19.128   8.545
  422   2HG2  ILE  51          2HG2      ILE  51  20.791  17.486   8.655
  423   3HG2  ILE  51          3HG2      ILE  51  19.934  18.819   9.430
  424   1HD1  ILE  51          1HD1      ILE  51  22.382  19.332   6.679
  425   2HD1  ILE  51          2HD1      ILE  51  21.365  20.389   5.698
  426   3HD1  ILE  51          3HD1      ILE  51  22.267  19.076   4.939
  427    H    GLU  52           H        GLU  52  18.616  16.166   9.420
  428    HA   GLU  52           HA       GLU  52  19.538  13.999   7.968
  429   1HB   GLU  52          2HB       GLU  52  18.978  12.689  10.084
  430   2HB   GLU  52          1HB       GLU  52  20.132  13.993  10.241
  431   1HG   GLU  52          2HG       GLU  52  17.230  14.348  10.908
  432   2HG   GLU  52          1HG       GLU  52  18.385  13.702  12.077
  433    H    GLU  53           H        GLU  53  16.421  15.021   9.039
  434    HA   GLU  53           HA       GLU  53  14.780  12.971   8.779
  435   1HB   GLU  53          2HB       GLU  53  14.102  15.107   9.495
  436   2HB   GLU  53          1HB       GLU  53  14.291  15.779   7.890
  437   1HG   GLU  53          2HG       GLU  53  12.463  14.231   7.150
  438   2HG   GLU  53          1HG       GLU  53  12.187  13.878   8.861
  439    H    LEU  54           H        LEU  54  15.832  15.447   6.596
  440    HA   LEU  54           HA       LEU  54  14.654  15.001   4.127
  441   1HB   LEU  54          2HB       LEU  54  15.794  17.068   4.752
  442   2HB   LEU  54          1HB       LEU  54  17.331  16.237   4.782
  443    HG   LEU  54           HG       LEU  54  17.118  15.864   2.324
  444   1HD1  LEU  54          1HD1      LEU  54  15.483  17.158   1.074
  445   2HD1  LEU  54          2HD1      LEU  54  14.739  17.695   2.580
  446   3HD1  LEU  54          3HD1      LEU  54  14.693  15.990   2.128
  447   1HD2  LEU  54          1HD2      LEU  54  18.433  17.714   3.186
  448   2HD2  LEU  54          2HD2      LEU  54  16.992  18.721   3.278
  449   3HD2  LEU  54          3HD2      LEU  54  17.599  18.195   1.707
  450    H    LYS  55           H        LYS  55  17.416  13.631   5.629
  451    HA   LYS  55           HA       LYS  55  18.341  12.122   3.271
  452   1HB   LYS  55          2HB       LYS  55  20.142  12.662   4.752
  453   2HB   LYS  55          1HB       LYS  55  19.169  12.307   6.171
  454   1HG   LYS  55          2HG       LYS  55  20.766  10.564   5.926
  455   2HG   LYS  55          1HG       LYS  55  19.186   9.916   5.531
  456   1HD   LYS  55          2HD       LYS  55  19.863  10.356   3.091
  457   2HD   LYS  55          1HD       LYS  55  21.506  10.497   3.734
  458   1HE   LYS  55          2HE       LYS  55  19.648   8.130   3.888
  459   2HE   LYS  55          1HE       LYS  55  21.231   8.217   3.124
  460   1HZ   LYS  55          1HZ       LYS  55  22.218   8.466   5.338
  461   2HZ   LYS  55          2HZ       LYS  55  21.359   7.044   5.203
  462   3HZ   LYS  55          3HZ       LYS  55  20.685   8.331   6.053
  463    H    GLU  56           H        GLU  56  16.609  11.092   6.332
  464    HA   GLU  56           HA       GLU  56  16.527   8.600   5.296
  465   1HB   GLU  56          2HB       GLU  56  14.850   9.947   7.378
  466   2HB   GLU  56          1HB       GLU  56  14.940   8.206   7.120
  467   1HG   GLU  56          2HG       GLU  56  17.205  10.026   7.908
  468   2HG   GLU  56          1HG       GLU  56  16.434   8.843   8.948
  469    H    LYS  57           H        LYS  57  14.029  11.028   5.156
  470    HA   LYS  57           HA       LYS  57  12.313   9.371   3.353
  471   1HB   LYS  57          2HB       LYS  57  10.934  11.282   2.949
  472   2HB   LYS  57          1HB       LYS  57  11.230  11.226   4.680
  473   1HG   LYS  57          2HG       LYS  57  12.870  13.063   4.365
  474   2HG   LYS  57          1HG       LYS  57  12.448  13.100   2.645
  475   1HD   LYS  57          2HD       LYS  57  10.045  13.416   3.341
  476   2HD   LYS  57          1HD       LYS  57  10.620  13.608   4.991
  477   1HE   LYS  57          2HE       LYS  57  11.593  15.311   2.729
  478   2HE   LYS  57          1HE       LYS  57  10.157  15.728   3.640
  479   1HZ   LYS  57          1HZ       LYS  57  12.888  15.422   4.809
  480   2HZ   LYS  57          2HZ       LYS  57  11.513  16.019   5.630
  481   3HZ   LYS  57          3HZ       LYS  57  12.145  16.848   4.325
  482    H    LEU  58           H        LEU  58  14.860  10.930   2.838
  483    HA   LEU  58           HA       LEU  58  14.780  10.673  -0.254
  484   1HB   LEU  58          2HB       LEU  58  16.156  12.538   1.074
  485   2HB   LEU  58          1HB       LEU  58  17.238  11.199   1.364
  486    HG   LEU  58           HG       LEU  58  17.492  10.929  -1.105
  487   1HD1  LEU  58          1HD1      LEU  58  15.936  13.512  -1.173
  488   2HD1  LEU  58          2HD1      LEU  58  15.351  11.957  -1.757
  489   3HD1  LEU  58          3HD1      LEU  58  16.718  12.741  -2.552
  490   1HD2  LEU  58          1HD2      LEU  58  19.088  12.220   0.232
  491   2HD2  LEU  58          2HD2      LEU  58  18.120  13.670  -0.019
  492   3HD2  LEU  58          3HD2      LEU  58  18.905  12.885  -1.390
  493    H    LYS  59           H        LYS  59  15.297   8.417   2.264
  494    HA   LYS  59           HA       LYS  59  16.354   7.016   0.171
  495   1HB   LYS  59          2HB       LYS  59  15.816   6.234   2.957
  496   2HB   LYS  59          1HB       LYS  59  16.123   4.955   1.772
  497   1HG   LYS  59          2HG       LYS  59  17.894   7.358   2.055
  498   2HG   LYS  59          1HG       LYS  59  18.175   5.852   2.946
  499   1HD   LYS  59          2HD       LYS  59  18.690   4.659   1.057
  500   2HD   LYS  59          1HD       LYS  59  17.725   5.654  -0.006
  501   1HE   LYS  59          2HE       LYS  59  20.245   6.616   1.299
  502   2HE   LYS  59          1HE       LYS  59  20.229   5.804  -0.270
  503   1HZ   LYS  59          1HZ       LYS  59  20.213   8.181  -0.532
  504   2HZ   LYS  59          2HZ       LYS  59  18.819   8.360   0.373
  505   3HZ   LYS  59          3HZ       LYS  59  18.774   7.564  -1.109
  506    H    GLY  60           H        GLY  60  13.075   7.347   1.251
  507   1HA   GLY  60          2HA       GLY  60  12.082   5.230  -0.422
  508   2HA   GLY  60          1HA       GLY  60  11.151   6.654   0.097
  509    H    GLU  61           H        GLU  61  12.114   8.468  -0.636
  510    HA   GLU  61           HA       GLU  61  12.737  10.023  -1.870
  511   1HB   GLU  61          2HB       GLU  61  14.783   9.035  -1.813
  512   2HB   GLU  61          1HB       GLU  61  14.395   7.908  -3.081
  513   1HG   GLU  61          2HG       GLU  61  14.684   9.668  -4.720
  514   2HG   GLU  61          1HG       GLU  61  15.111  10.802  -3.436
  515    H    VAL  62           H        VAL  62  11.275   7.901  -3.200
  516    HA   VAL  62           HA       VAL  62  11.684   7.382  -5.654
  517    HB   VAL  62           HB       VAL  62   8.853   6.873  -4.703
  518   1HG1  VAL  62          1HG1      VAL  62   9.959   5.838  -7.310
  519   2HG1  VAL  62          2HG1      VAL  62   8.632   6.986  -7.130
  520   3HG1  VAL  62          3HG1      VAL  62   8.448   5.325  -6.561
  521   1HG2  VAL  62          1HG2      VAL  62  10.685   5.630  -3.671
  522   2HG2  VAL  62          2HG2      VAL  62  11.176   5.027  -5.254
  523   3HG2  VAL  62          3HG2      VAL  62   9.620   4.553  -4.572
  524    H    ILE  63           H        ILE  63   9.117   8.864  -4.499
  525    HA   ILE  63           HA       ILE  63   8.808  11.246  -6.348
  526    HB   ILE  63           HB       ILE  63   6.368  11.280  -6.127
  527   1HG1  ILE  63          2HG1      ILE  63   6.648   8.540  -4.878
  528   2HG1  ILE  63          1HG1      ILE  63   6.205  10.001  -4.010
  529   1HG2  ILE  63          1HG2      ILE  63   7.433   8.751  -7.359
  530   2HG2  ILE  63          2HG2      ILE  63   7.282  10.326  -8.137
  531   3HG2  ILE  63          3HG2      ILE  63   5.835   9.429  -7.663
  532   1HD1  ILE  63          1HD1      ILE  63   4.626   8.656  -6.197
  533   2HD1  ILE  63          2HD1      ILE  63   4.185  10.165  -5.411
  534   3HD1  ILE  63          3HD1      ILE  63   4.241   8.671  -4.471
  535    H    GLU  64           H        GLU  64   9.299  10.450  -3.472
  536    HA   GLU  64           HA       GLU  64   8.256  12.134  -2.740
  537   1HB   GLU  64          2HB       GLU  64   9.208  11.047  -0.715
  538   2HB   GLU  64          1HB       GLU  64  10.715  11.902  -0.968
  539   1HG   GLU  64          2HG       GLU  64   8.236  12.976   0.377
  540   2HG   GLU  64          1HG       GLU  64   9.742  12.529   1.160
  541    H    GLU  65           H        GLU  65   8.803  15.002  -2.221
  542    HA   GLU  65           HA       GLU  65  10.405  15.486  -4.679
  543   1HB   GLU  65          2HB       GLU  65   7.961  16.851  -3.668
  544   2HB   GLU  65          1HB       GLU  65   8.851  17.316  -5.102
  545   1HG   GLU  65          2HG       GLU  65   8.208  15.237  -6.144
  546   2HG   GLU  65          1HG       GLU  65   7.400  14.730  -4.647
  547    H    LYS  66           H        LYS  66   8.984  17.276  -2.298
  548    HA   LYS  66           HA       LYS  66  10.989  19.306  -2.704
  549   1HB   LYS  66          2HB       LYS  66   9.103  21.083  -2.323
  550   2HB   LYS  66          1HB       LYS  66   9.244  20.215  -3.845
  551   1HG   LYS  66          2HG       LYS  66   7.474  18.642  -3.078
  552   2HG   LYS  66          1HG       LYS  66   7.307  19.576  -1.597
  553   1HD   LYS  66          2HD       LYS  66   6.610  21.521  -2.879
  554   2HD   LYS  66          1HD       LYS  66   6.882  20.652  -4.387
  555   1HE   LYS  66          2HE       LYS  66   4.924  19.644  -2.322
  556   2HE   LYS  66          1HE       LYS  66   4.451  20.852  -3.502
  557   1HZ   LYS  66          1HZ       LYS  66   5.397  18.065  -4.195
  558   2HZ   LYS  66          2HZ       LYS  66   5.022  19.260  -5.280
  559   3HZ   LYS  66          3HZ       LYS  66   3.842  18.665  -4.284
  560    H    GLU  67           H        GLU  67  11.745  20.825  -0.537
  561    HA   GLU  67           HA       GLU  67  10.632  19.730   1.776
  562   1HB   GLU  67          2HB       GLU  67  13.097  19.305   1.214
  563   2HB   GLU  67          1HB       GLU  67  13.280  21.044   1.120
  564   1HG   GLU  67          2HG       GLU  67  14.036  20.254   3.253
  565   2HG   GLU  67          1HG       GLU  67  12.573  21.226   3.461
  566    H    ILE  68           H        ILE  68   8.856  21.263   1.155
  567    HA   ILE  68           HA       ILE  68   9.459  24.004   1.680
  568    HB   ILE  68           HB       ILE  68   8.229  23.577  -0.306
  569   1HG1  ILE  68          2HG1      ILE  68   6.233  24.419   1.815
  570   2HG1  ILE  68          1HG1      ILE  68   7.435  25.463   1.068
  571   1HG2  ILE  68          1HG2      ILE  68   6.104  22.367  -0.467
  572   2HG2  ILE  68          2HG2      ILE  68   6.364  21.760   1.169
  573   3HG2  ILE  68          3HG2      ILE  68   7.499  21.349  -0.115
  574   1HD1  ILE  68          1HD1      ILE  68   5.228  25.823   0.120
  575   2HD1  ILE  68          2HD1      ILE  68   5.134  24.123  -0.337
  576   3HD1  ILE  68          3HD1      ILE  68   6.330  25.173  -1.095
  577    H    THR  69           H        THR  69   9.796  23.493   3.900
  578    HA   THR  69           HA       THR  69   8.507  21.731   4.465
  579    HB   THR  69           HB       THR  69  10.572  21.232   5.303
  580    HG1  THR  69           HG1      THR  69  10.309  20.239   7.004
  581   1HG2  THR  69          1HG2      THR  69  11.861  22.677   6.823
  582   2HG2  THR  69          2HG2      THR  69  10.438  23.700   7.037
  583   3HG2  THR  69          3HG2      THR  69  11.198  23.570   5.452
  584    H    LEU  70           H        LEU  70   6.717  23.630   4.605
  585    HA   LEU  70           HA       LEU  70   6.656  25.934   5.945
  586   1HB   LEU  70          2HB       LEU  70   6.242  25.510   3.808
  587   2HB   LEU  70          1HB       LEU  70   4.924  24.425   4.191
  588    HG   LEU  70           HG       LEU  70   3.714  26.345   5.226
  589   1HD1  LEU  70          1HD1      LEU  70   4.476  28.612   4.705
  590   2HD1  LEU  70          2HD1      LEU  70   5.995  27.949   4.092
  591   3HD1  LEU  70          3HD1      LEU  70   5.571  27.763   5.792
  592   1HD2  LEU  70          1HD2      LEU  70   3.105  27.399   3.101
  593   2HD2  LEU  70          2HD2      LEU  70   3.239  25.649   2.945
  594   3HD2  LEU  70          3HD2      LEU  70   4.529  26.689   2.341
  595    H    GLN  71           H        GLN  71   5.066  25.273   8.781
  596    HA   GLN  71           HA       GLN  71   3.375  24.811   9.699
  597   1HB   GLN  71          2HB       GLN  71   3.258  26.973   8.489
  598   2HB   GLN  71          1HB       GLN  71   2.267  26.192   7.276
  599   1HG   GLN  71          2HG       GLN  71   0.524  25.766   9.029
  600   2HG   GLN  71          1HG       GLN  71   1.592  26.521  10.198
  601   1HE2  GLN  71          1HE2      GLN  71   0.026  28.013  10.643
  602   2HE2  GLN  71          2HE2      GLN  71  -0.283  29.369   9.632
  603    H    GLU  72           H        GLU  72   0.964  24.762   7.866
  604    HA   GLU  72           HA       GLU  72   1.156  22.316   6.515
  605   1HB   GLU  72          2HB       GLU  72  -1.214  24.146   6.782
  606   2HB   GLU  72          1HB       GLU  72  -1.296  22.679   5.821
  607   1HG   GLU  72          2HG       GLU  72  -0.696  21.369   7.811
  608   2HG   GLU  72          1HG       GLU  72  -0.693  22.855   8.763
  609    H    LEU  73           H        LEU  73   0.207  23.261   3.323
  610    HA   LEU  73           HA       LEU  73   0.531  24.893   2.226
  611   1HB   LEU  73          2HB       LEU  73  -2.137  24.193   3.211
  612   2HB   LEU  73          1HB       LEU  73  -1.793  25.080   1.733
  613    HG   LEU  73           HG       LEU  73  -0.988  22.250   2.406
  614   1HD1  LEU  73          1HD1      LEU  73  -2.515  21.722   0.564
  615   2HD1  LEU  73          2HD1      LEU  73  -2.961  23.427   0.467
  616   3HD1  LEU  73          3HD1      LEU  73  -3.321  22.499   1.922
  617   1HD2  LEU  73          1HD2      LEU  73  -0.188  22.158   0.071
  618   2HD2  LEU  73          2HD2      LEU  73   0.753  23.281   1.039
  619   3HD2  LEU  73          3HD2      LEU  73  -0.466  23.892  -0.086
  620    H    ILE  74           H        ILE  74  -2.388  25.835   3.150
  621    HA   ILE  74           HA       ILE  74  -2.130  28.189   5.053
  622    HB   ILE  74           HB       ILE  74  -3.157  28.517   2.704
  623   1HG1  ILE  74          2HG1      ILE  74  -5.017  28.893   5.061
  624   2HG1  ILE  74          1HG1      ILE  74  -3.704  29.982   4.629
  625   1HG2  ILE  74          1HG2      ILE  74  -4.171  26.353   2.428
  626   2HG2  ILE  74          2HG2      ILE  74  -5.412  27.605   2.351
  627   3HG2  ILE  74          3HG2      ILE  74  -5.229  26.639   3.810
  628   1HD1  ILE  74          1HD1      ILE  74  -4.810  30.455   2.489
  629   2HD1  ILE  74          2HD1      ILE  74  -5.835  30.846   3.864
  630   3HD1  ILE  74          3HD1      ILE  74  -6.123  29.371   2.943
  Start of MODEL    3
    1    H    SER   1           H        SER   1   6.915  24.020  13.337
    2    HA   SER   1           HA       SER   1   5.801  22.053  13.492
    3   1HB   SER   1          2HB       SER   1   3.948  23.152  11.357
    4   2HB   SER   1          1HB       SER   1   3.805  21.580  12.149
    5    HG   SER   1           HG       SER   1   2.769  22.514  13.667
    6    H    LYS   2           H        LYS   2   5.471  20.722  10.535
    7    HA   LYS   2           HA       LYS   2   7.182  22.159   8.840
    8   1HB   LYS   2          2HB       LYS   2   7.389  19.260   9.679
    9   2HB   LYS   2          1HB       LYS   2   8.267  20.038   8.387
   10   1HG   LYS   2          2HG       LYS   2   9.521  21.335  10.042
   11   2HG   LYS   2          1HG       LYS   2   8.635  20.503  11.334
   12   1HD   LYS   2          2HD       LYS   2   9.412  18.332  10.316
   13   2HD   LYS   2          1HD       LYS   2  10.410  19.287   9.249
   14   1HE   LYS   2          2HE       LYS   2  11.764  20.046  10.987
   15   2HE   LYS   2          1HE       LYS   2  10.602  19.539  12.217
   16   1HZ   LYS   2          1HZ       LYS   2  12.487  17.958  12.010
   17   2HZ   LYS   2          2HZ       LYS   2  11.927  17.564  10.415
   18   3HZ   LYS   2          3HZ       LYS   2  10.996  17.297  11.702
   19    H    TRP   3           H        TRP   3   6.330  21.523   6.784
   20    HA   TRP   3           HA       TRP   3   4.699  19.133   6.698
   21   1HB   TRP   3          2HB       TRP   3   2.959  21.019   6.717
   22   2HB   TRP   3          1HB       TRP   3   3.890  21.822   5.475
   23    HD1  TRP   3           HD1      TRP   3   1.445  18.897   5.965
   24    HE1  TRP   3           HE1      TRP   3   0.451  18.301   3.621
   25    HE3  TRP   3           HE3      TRP   3   4.368  21.860   2.991
   26    HZ2  TRP   3           HZ2      TRP   3   0.860  18.962   0.968
   27    HZ3  TRP   3           HZ3      TRP   3   3.995  21.821   0.561
   28    HH2  TRP   3           HH2      TRP   3   2.274  20.397  -0.430
   29    H    ILE   4           H        ILE   4   5.653  17.791   6.010
   30    HA   ILE   4           HA       ILE   4   7.280  18.255   3.545
   31    HB   ILE   4           HB       ILE   4   8.691  16.557   4.441
   32   1HG1  ILE   4          2HG1      ILE   4   6.921  16.445   6.906
   33   2HG1  ILE   4          1HG1      ILE   4   6.882  15.285   5.587
   34   1HG2  ILE   4          1HG2      ILE   4   8.241  18.605   6.611
   35   2HG2  ILE   4          2HG2      ILE   4   9.299  18.782   5.211
   36   3HG2  ILE   4          3HG2      ILE   4   9.680  17.597   6.457
   37   1HD1  ILE   4          1HD1      ILE   4   8.084  14.431   7.515
   38   2HD1  ILE   4          2HD1      ILE   4   9.206  15.792   7.427
   39   3HD1  ILE   4          3HD1      ILE   4   9.152  14.608   6.123
   40    H    LYS   5           H        LYS   5   7.002  16.530   1.907
   41    HA   LYS   5           HA       LYS   5   4.627  15.055   2.302
   42   1HB   LYS   5          2HB       LYS   5   5.591  16.536   0.319
   43   2HB   LYS   5          1HB       LYS   5   6.585  15.122   0.025
   44   1HG   LYS   5          2HG       LYS   5   4.527  13.765  -0.249
   45   2HG   LYS   5          1HG       LYS   5   3.576  15.212   0.037
   46   1HD   LYS   5          2HD       LYS   5   4.693  16.255  -1.932
   47   2HD   LYS   5          1HD       LYS   5   5.449  14.693  -2.260
   48   1HE   LYS   5          2HE       LYS   5   3.164  13.689  -2.324
   49   2HE   LYS   5          1HE       LYS   5   2.500  15.305  -2.171
   50   1HZ   LYS   5          1HZ       LYS   5   2.483  14.781  -4.435
   51   2HZ   LYS   5          2HZ       LYS   5   4.037  14.174  -4.427
   52   3HZ   LYS   5          3HZ       LYS   5   3.814  15.822  -4.300
   53    H    PHE   6           H        PHE   6   5.849  13.134   0.566
   54    HA   PHE   6           HA       PHE   6   7.499  11.126   0.890
   55   1HB   PHE   6          2HB       PHE   6   7.217  11.550   3.680
   56   2HB   PHE   6          1HB       PHE   6   5.681  10.788   3.393
   57    HD1  PHE   6           HD1      PHE   6   5.519   8.459   3.628
   58    HD2  PHE   6           HD2      PHE   6   9.339  10.227   3.083
   59    HE1  PHE   6           HE1      PHE   6   6.577   6.285   4.089
   60    HE2  PHE   6           HE2      PHE   6  10.417   8.053   3.537
   61    HZ   PHE   6           HZ       PHE   6   9.033   6.079   4.046
   62    H    THR   7           H        THR   7   6.270   9.098   1.588
   63    HA   THR   7           HA       THR   7   6.007   8.241  -1.324
   64    HB   THR   7           HB       THR   7   6.453   6.670   1.166
   65    HG1  THR   7           HG1      THR   7   8.026   8.531   0.490
   66   1HG2  THR   7          1HG2      THR   7   7.413   5.147  -0.512
   67   2HG2  THR   7          2HG2      THR   7   7.210   6.370  -1.760
   68   3HG2  THR   7          3HG2      THR   7   5.791   5.635  -1.011
   69    H    THR   8           H        THR   8   4.039   7.525  -1.939
   70    HA   THR   8           HA       THR   8   1.914   7.572   0.094
   71    HB   THR   8           HB       THR   8   0.479   8.252  -1.916
   72    HG1  THR   8           HG1      THR   8   1.995   7.391  -3.429
   73   1HG2  THR   8          1HG2      THR   8   1.382   9.987  -0.428
   74   2HG2  THR   8          2HG2      THR   8   1.315  10.550  -2.101
   75   3HG2  THR   8          3HG2      THR   8   2.852  10.048  -1.401
   76    H    ASN   9           H        ASN   9   2.059   5.131   0.352
   77    HA   ASN   9           HA       ASN   9   1.921   3.423  -2.086
   78   1HB   ASN   9          2HB       ASN   9   4.126   4.416  -2.095
   79   2HB   ASN   9          1HB       ASN   9   4.421   3.774  -0.493
   80   1HD2  ASN   9          1HD2      ASN   9   5.988   2.411  -1.000
   81   2HD2  ASN   9          2HD2      ASN   9   5.844   1.049  -2.058
   82    H    LEU  10           H        LEU  10   3.599   3.139   0.860
   83    HA   LEU  10           HA       LEU  10   2.248   0.508   1.504
   84   1HB   LEU  10          2HB       LEU  10   4.457   0.474   0.261
   85   2HB   LEU  10          1HB       LEU  10   5.135   1.315   1.622
   86    HG   LEU  10           HG       LEU  10   4.541  -0.603   3.056
   87   1HD1  LEU  10          1HD1      LEU  10   2.658  -1.500   1.712
   88   2HD1  LEU  10          2HD1      LEU  10   3.901  -2.728   1.947
   89   3HD1  LEU  10          3HD1      LEU  10   3.785  -1.879   0.409
   90   1HD2  LEU  10          1HD2      LEU  10   6.218  -1.224   0.634
   91   2HD2  LEU  10          2HD2      LEU  10   6.237  -2.137   2.138
   92   3HD2  LEU  10          3HD2      LEU  10   6.769  -0.460   2.125
   93    H    THR  11           H        THR  11   0.920   1.257   2.896
   94    HA   THR  11           HA       THR  11   1.164   2.327   5.128
   95    HB   THR  11           HB       THR  11  -0.167   0.386   6.197
   96    HG1  THR  11           HG1      THR  11  -0.028  -1.406   5.125
   97   1HG2  THR  11          1HG2      THR  11  -1.052   1.552   3.560
   98   2HG2  THR  11          2HG2      THR  11  -1.235   2.308   5.145
   99   3HG2  THR  11          3HG2      THR  11  -2.117   0.829   4.763
  100    HA   PRO  12           HA       PRO  12   4.069  -0.002   7.139
  101   1HB   PRO  12          2HB       PRO  12   5.444  -2.331   6.114
  102   2HB   PRO  12          1HB       PRO  12   4.346  -2.228   7.491
  103   1HG   PRO  12          2HG       PRO  12   3.783  -3.337   4.948
  104   2HG   PRO  12          1HG       PRO  12   2.637  -3.055   6.265
  105   1HD   PRO  12          2HD       PRO  12   3.094  -1.500   3.799
  106   2HD   PRO  12          1HD       PRO  12   1.670  -1.584   4.828
  107    H    GLU  13           H        GLU  13   4.689   1.884   5.613
  108    HA   GLU  13           HA       GLU  13   7.596   2.209   5.197
  109   1HB   GLU  13          2HB       GLU  13   6.698   1.344   2.921
  110   2HB   GLU  13          1HB       GLU  13   5.616   2.729   2.975
  111   1HG   GLU  13          2HG       GLU  13   7.540   4.216   2.958
  112   2HG   GLU  13          1HG       GLU  13   8.616   2.816   2.910
  113    H    GLU  14           H        GLU  14   4.551   4.181   4.702
  114    HA   GLU  14           HA       GLU  14   5.512   6.126   6.146
  115   1HB   GLU  14          2HB       GLU  14   2.743   4.912   6.088
  116   2HB   GLU  14          1HB       GLU  14   3.078   6.550   6.646
  117   1HG   GLU  14          2HG       GLU  14   3.904   7.099   4.346
  118   2HG   GLU  14          1HG       GLU  14   3.474   5.477   3.835
  119    H    ALA  15           H        ALA  15   5.547   3.086   7.224
  120    HA   ALA  15           HA       ALA  15   5.479   3.539  10.208
  121   1HB   ALA  15          1HB       ALA  15   4.092   1.600   9.222
  122   2HB   ALA  15          2HB       ALA  15   5.403   1.181  10.324
  123   3HB   ALA  15          3HB       ALA  15   5.626   1.011   8.580
  124    H    LYS  16           H        LYS  16   7.561   2.568   7.555
  125    HA   LYS  16           HA       LYS  16   9.714   2.033   9.285
  126   1HB   LYS  16          2HB       LYS  16   9.777   2.854   6.383
  127   2HB   LYS  16          1HB       LYS  16  11.169   2.282   7.288
  128   1HG   LYS  16          2HG       LYS  16   9.989   0.136   7.667
  129   2HG   LYS  16          1HG       LYS  16   8.667   0.720   6.660
  130   1HD   LYS  16          2HD       LYS  16  10.080  -0.669   5.300
  131   2HD   LYS  16          1HD       LYS  16  10.322   1.004   4.796
  132   1HE   LYS  16          2HE       LYS  16  12.377   1.105   6.158
  133   2HE   LYS  16          1HE       LYS  16  12.119  -0.566   6.648
  134   1HZ   LYS  16          1HZ       LYS  16  13.733  -0.390   4.879
  135   2HZ   LYS  16          2HZ       LYS  16  12.634   0.371   3.867
  136   3HZ   LYS  16          3HZ       LYS  16  12.383  -1.226   4.338
  137    H    ILE  17           H        ILE  17   8.602   5.136   7.850
  138    HA   ILE  17           HA       ILE  17  10.676   7.013   8.391
  139    HB   ILE  17           HB       ILE  17   8.468   7.160   7.076
  140   1HG1  ILE  17          2HG1      ILE  17   8.184   9.563   7.782
  141   2HG1  ILE  17          1HG1      ILE  17   9.328   9.252   9.079
  142   1HG2  ILE  17          1HG2      ILE  17   6.930   6.304   8.695
  143   2HG2  ILE  17          2HG2      ILE  17   6.550   7.989   8.333
  144   3HG2  ILE  17          3HG2      ILE  17   7.373   7.573   9.835
  145   1HD1  ILE  17          1HD1      ILE  17  11.061   8.734   7.431
  146   2HD1  ILE  17          2HD1      ILE  17  10.379  10.335   7.166
  147   3HD1  ILE  17          3HD1      ILE  17   9.895   8.994   6.133
  148    H    VAL  18           H        VAL  18   8.454   5.385  10.584
  149    HA   VAL  18           HA       VAL  18   8.895   7.316  12.593
  150    HB   VAL  18           HB       VAL  18   7.874   4.466  12.818
  151   1HG1  VAL  18          1HG1      VAL  18   8.734   5.244  14.985
  152   2HG1  VAL  18          2HG1      VAL  18   6.975   5.118  15.007
  153   3HG1  VAL  18          3HG1      VAL  18   7.743   6.698  14.863
  154   1HG2  VAL  18          1HG2      VAL  18   6.435   7.111  12.695
  155   2HG2  VAL  18          2HG2      VAL  18   5.670   5.550  12.969
  156   3HG2  VAL  18          3HG2      VAL  18   6.476   5.879  11.435
  157    H    GLN  19           H        GLN  19  10.522   4.281  11.711
  158    HA   GLN  19           HA       GLN  19  12.139   4.263  14.063
  159   1HB   GLN  19          2HB       GLN  19  11.583   2.189  12.816
  160   2HB   GLN  19          1HB       GLN  19  12.530   2.781  11.460
  161   1HG   GLN  19          2HG       GLN  19  14.527   2.813  12.895
  162   2HG   GLN  19          1HG       GLN  19  13.564   2.143  14.209
  163   1HE2  GLN  19          1HE2      GLN  19  15.135   1.518  11.212
  164   2HE2  GLN  19          2HE2      GLN  19  14.915  -0.184  11.230
  165    H    TYR  20           H        TYR  20  12.499   5.160  10.949
  166    HA   TYR  20           HA       TYR  20  15.200   5.833  10.989
  167   1HB   TYR  20          2HB       TYR  20  13.283   7.345   9.201
  168   2HB   TYR  20          1HB       TYR  20  15.028   7.446   9.058
  169    HD1  TYR  20           HD1      TYR  20  12.444   6.249   7.374
  170    HD2  TYR  20           HD2      TYR  20  15.954   4.725   9.236
  171    HE1  TYR  20           HE1      TYR  20  12.445   4.354   5.813
  172    HE2  TYR  20           HE2      TYR  20  15.958   2.830   7.678
  173    HH   TYR  20           HH       TYR  20  14.252   2.820   4.893
  174    H    GLU  21           H        GLU  21  12.649   8.188  11.290
  175    HA   GLU  21           HA       GLU  21  14.241  10.105  12.608
  176   1HB   GLU  21          2HB       GLU  21  11.333   9.900  11.995
  177   2HB   GLU  21          1HB       GLU  21  11.928  11.165  13.058
  178   1HG   GLU  21          2HG       GLU  21  11.720  12.002  10.785
  179   2HG   GLU  21          1HG       GLU  21  13.397  11.997  11.288
  180    H    LEU  22           H        LEU  22  13.480   7.459  13.733
  181    HA   LEU  22           HA       LEU  22  13.156   7.902  16.902
  182   1HB   LEU  22          2HB       LEU  22  12.097   5.753  15.455
  183   2HB   LEU  22          1HB       LEU  22  13.819   5.442  15.431
  184    HG   LEU  22           HG       LEU  22  13.783   5.517  17.936
  185   1HD1  LEU  22          1HD1      LEU  22  11.621   5.289  19.057
  186   2HD1  LEU  22          2HD1      LEU  22  10.795   5.550  17.521
  187   3HD1  LEU  22          3HD1      LEU  22  11.757   6.845  18.237
  188   1HD2  LEU  22          1HD2      LEU  22  13.767   3.413  16.719
  189   2HD2  LEU  22          2HD2      LEU  22  12.015   3.497  16.563
  190   3HD2  LEU  22          3HD2      LEU  22  12.746   3.292  18.153
  191    H    SER  23           H        SER  23  15.796   6.839  15.079
  192    HA   SER  23           HA       SER  23  17.403   7.363  16.941
  193   1HB   SER  23          2HB       SER  23  17.680   8.419  14.148
  194   2HB   SER  23          1HB       SER  23  18.983   7.874  15.214
  195    HG   SER  23           HG       SER  23  18.202   5.805  15.126
  196    H    THR  24           H        THR  24  15.586   9.943  15.417
  197    HA   THR  24           HA       THR  24  17.104  12.243  16.076
  198    HB   THR  24           HB       THR  24  14.205  11.852  15.306
  199    HG1  THR  24           HG1      THR  24  15.063  11.808  13.159
  200   1HG2  THR  24          1HG2      THR  24  14.518  13.909  14.062
  201   2HG2  THR  24          2HG2      THR  24  16.212  13.941  14.556
  202   3HG2  THR  24          3HG2      THR  24  14.944  14.181  15.757
  203    H    ARG  25           H        ARG  25  16.195  10.555  18.070
  204    HA   ARG  25           HA       ARG  25  13.974  10.610  19.546
  205   1HB   ARG  25          2HB       ARG  25  16.496  10.572  21.201
  206   2HB   ARG  25          1HB       ARG  25  14.951   9.897  21.667
  207   1HG   ARG  25          2HG       ARG  25  15.197   8.438  19.565
  208   2HG   ARG  25          1HG       ARG  25  16.888   8.926  19.620
  209   1HD   ARG  25          2HD       ARG  25  16.753   6.870  20.780
  210   2HD   ARG  25          1HD       ARG  25  16.887   8.134  22.013
  211    HE   ARG  25           HE       ARG  25  14.304   7.977  21.840
  212   1HH1  ARG  25          1HH1      ARG  25  16.616   5.289  22.040
  213   2HH1  ARG  25          2HH1      ARG  25  15.484   4.199  22.689
  214   1HH2  ARG  25          1HH2      ARG  25  12.778   6.463  22.709
  215   2HH2  ARG  25          2HH2      ARG  25  13.277   4.881  23.081
  216    H    ASP  26           H        ASP  26  16.427  12.585  21.317
  217    HA   ASP  26           HA       ASP  26  14.505  13.956  22.862
  218   1HB   ASP  26          2HB       ASP  26  17.411  14.667  22.454
  219   2HB   ASP  26          1HB       ASP  26  16.388  15.349  23.705
  220    H    GLU  27           H        GLU  27  14.151  14.528  20.283
  221    HA   GLU  27           HA       GLU  27  13.955  17.532  19.687
  222   1HB   GLU  27          2HB       GLU  27  15.998  15.967  18.103
  223   2HB   GLU  27          1HB       GLU  27  15.541  17.659  17.899
  224   1HG   GLU  27          2HG       GLU  27  16.474  18.148  20.142
  225   2HG   GLU  27          1HG       GLU  27  16.991  16.482  20.272
  226    H    PHE  28           H        PHE  28  13.860  14.596  18.075
  227    HA   PHE  28           HA       PHE  28  11.672  15.248  16.399
  228   1HB   PHE  28          2HB       PHE  28  13.078  13.258  16.222
  229   2HB   PHE  28          1HB       PHE  28  12.535  12.701  17.782
  230    HD1  PHE  28           HD1      PHE  28  11.301  13.464  14.358
  231    HD2  PHE  28           HD2      PHE  28  10.873  11.136  17.883
  232    HE1  PHE  28           HE1      PHE  28   9.703  11.991  13.202
  233    HE2  PHE  28           HE2      PHE  28   9.270   9.675  16.743
  234    HZ   PHE  28           HZ       PHE  28   8.687  10.100  14.392
  235    H    TYR  29           H        TYR  29   9.545  15.729  17.064
  236    HA   TYR  29           HA       TYR  29   8.861  14.832  19.743
  237   1HB   TYR  29          2HB       TYR  29   9.679  17.190  19.780
  238   2HB   TYR  29          1HB       TYR  29   8.342  17.639  18.737
  239    HD1  TYR  29           HD1      TYR  29   9.066  16.063  22.006
  240    HD2  TYR  29           HD2      TYR  29   6.348  18.416  19.743
  241    HE1  TYR  29           HE1      TYR  29   7.770  16.487  24.024
  242    HE2  TYR  29           HE2      TYR  29   5.022  18.843  21.771
  243    HH   TYR  29           HH       TYR  29   6.242  18.129  24.867
  244    H    ARG  30           H        ARG  30   6.523  16.919  18.618
  245    HA   ARG  30           HA       ARG  30   4.499  15.203  18.518
  246   1HB   ARG  30          2HB       ARG  30   4.432  17.697  18.535
  247   2HB   ARG  30          1HB       ARG  30   4.528  17.643  16.780
  248   1HG   ARG  30          2HG       ARG  30   2.259  17.888  17.226
  249   2HG   ARG  30          1HG       ARG  30   2.455  16.167  16.884
  250   1HD   ARG  30          2HD       ARG  30   2.320  17.427  19.612
  251   2HD   ARG  30          1HD       ARG  30   1.004  16.547  18.836
  252    HE   ARG  30           HE       ARG  30   2.535  14.570  18.962
  253   1HH1  ARG  30          1HH1      ARG  30   2.740  17.213  21.370
  254   2HH1  ARG  30          2HH1      ARG  30   3.538  16.236  22.520
  255   1HH2  ARG  30          1HH2      ARG  30   3.607  13.272  20.623
  256   2HH2  ARG  30          2HH2      ARG  30   4.019  14.003  22.104
  257    H    VAL  31           H        VAL  31   4.084  13.530  16.992
  258    HA   VAL  31           HA       VAL  31   4.970  13.683  14.095
  259    HB   VAL  31           HB       VAL  31   4.557  11.261  15.802
  260   1HG1  VAL  31          1HG1      VAL  31   5.991  11.685  13.184
  261   2HG1  VAL  31          2HG1      VAL  31   4.408  10.945  13.406
  262   3HG1  VAL  31          3HG1      VAL  31   5.849  10.150  14.044
  263   1HG2  VAL  31          1HG2      VAL  31   7.165  12.651  15.262
  264   2HG2  VAL  31          2HG2      VAL  31   6.983  11.056  15.996
  265   3HG2  VAL  31          3HG2      VAL  31   6.369  12.488  16.826
  266    H    PHE  32           H        PHE  32   3.193  13.462  12.463
  267    HA   PHE  32           HA       PHE  32   1.192  11.714  13.195
  268   1HB   PHE  32          2HB       PHE  32   0.771  14.531  12.083
  269   2HB   PHE  32          1HB       PHE  32  -0.445  13.271  12.147
  270    HD1  PHE  32           HD1      PHE  32   1.171  15.957  13.919
  271    HD2  PHE  32           HD2      PHE  32  -1.362  12.570  14.348
  272    HE1  PHE  32           HE1      PHE  32   0.410  16.804  16.096
  273    HE2  PHE  32           HE2      PHE  32  -2.121  13.411  16.523
  274    HZ   PHE  32           HZ       PHE  32  -1.237  15.530  17.401
  275    H    ILE  33           H        ILE  33   1.424  10.273  11.762
  276    HA   ILE  33           HA       ILE  33   2.067  11.084   9.028
  277    HB   ILE  33           HB       ILE  33   3.377   9.038   8.658
  278   1HG1  ILE  33          2HG1      ILE  33   2.380   7.588  10.458
  279   2HG1  ILE  33          1HG1      ILE  33   4.125   7.500  10.381
  280   1HG2  ILE  33          1HG2      ILE  33   5.441   9.577   9.859
  281   2HG2  ILE  33          2HG2      ILE  33   4.524  10.674  10.887
  282   3HG2  ILE  33          3HG2      ILE  33   4.643  10.983   9.155
  283   1HD1  ILE  33          1HD1      ILE  33   2.501   9.028  12.417
  284   2HD1  ILE  33          2HD1      ILE  33   4.261   8.950  12.355
  285   3HD1  ILE  33          3HD1      ILE  33   3.325   7.489  12.667
  286    H    ASN  34           H        ASN  34   0.830   9.529   7.299
  287    HA   ASN  34           HA       ASN  34  -1.013   7.886   8.768
  288   1HB   ASN  34          2HB       ASN  34  -1.556  10.228   7.256
  289   2HB   ASN  34          1HB       ASN  34  -2.098   8.809   6.357
  290   1HD2  ASN  34          1HD2      ASN  34  -2.476  10.667   9.274
  291   2HD2  ASN  34          2HD2      ASN  34  -3.940   9.954   9.785
  292    HA   PRO  35           HA       PRO  35   0.873   4.747   6.321
  293   1HB   PRO  35          2HB       PRO  35   1.173   2.998   8.298
  294   2HB   PRO  35          1HB       PRO  35   2.236   4.411   8.250
  295   1HG   PRO  35          2HG       PRO  35  -0.227   3.963   9.891
  296   2HG   PRO  35          1HG       PRO  35   1.340   4.604  10.401
  297   1HD   PRO  35          2HD       PRO  35  -0.827   6.143   9.773
  298   2HD   PRO  35          1HD       PRO  35   0.846   6.715   9.655
  299    H    TYR  36           H        TYR  36  -1.335   5.268   5.976
  300    HA   TYR  36           HA       TYR  36  -3.168   3.008   6.113
  301   1HB   TYR  36          2HB       TYR  36  -3.589   3.899   8.295
  302   2HB   TYR  36          1HB       TYR  36  -3.724   5.530   7.679
  303    HD1  TYR  36           HD1      TYR  36  -5.452   2.243   7.870
  304    HD2  TYR  36           HD2      TYR  36  -5.780   6.365   6.891
  305    HE1  TYR  36           HE1      TYR  36  -7.909   2.025   7.770
  306    HE2  TYR  36           HE2      TYR  36  -8.214   6.163   6.777
  307    HH   TYR  36           HH       TYR  36  -9.848   4.508   6.427
  308    H    ALA  37           H        ALA  37  -2.371   6.279   5.206
  309    HA   ALA  37           HA       ALA  37  -4.723   6.270   3.551
  310   1HB   ALA  37          1HB       ALA  37  -4.759   7.822   5.418
  311   2HB   ALA  37          2HB       ALA  37  -4.963   8.569   3.837
  312   3HB   ALA  37          3HB       ALA  37  -3.415   8.693   4.677
  313    H    LYS  38           H        LYS  38  -0.979   6.366   2.926
  314    HA   LYS  38           HA       LYS  38   0.006   6.604   1.334
  315   1HB   LYS  38          2HB       LYS  38  -0.863   6.066  -0.952
  316   2HB   LYS  38          1HB       LYS  38  -1.371   4.885   0.230
  317   1HG   LYS  38          2HG       LYS  38  -3.599   6.003   0.280
  318   2HG   LYS  38          1HG       LYS  38  -3.043   7.061  -1.005
  319   1HD   LYS  38          2HD       LYS  38  -2.695   5.095  -2.446
  320   2HD   LYS  38          1HD       LYS  38  -3.287   4.063  -1.138
  321   1HE   LYS  38          2HE       LYS  38  -4.850   6.269  -2.475
  322   2HE   LYS  38          1HE       LYS  38  -5.047   4.544  -2.787
  323   1HZ   LYS  38          1HZ       LYS  38  -5.692   4.255  -0.451
  324   2HZ   LYS  38          2HZ       LYS  38  -6.725   5.329  -1.230
  325   3HZ   LYS  38          3HZ       LYS  38  -5.559   5.908  -0.176
  326    H    VAL  39           H        VAL  39  -0.882   8.806   2.636
  327    HA   VAL  39           HA       VAL  39  -1.577  10.792   0.662
  328    HB   VAL  39           HB       VAL  39  -1.584  10.879   3.707
  329   1HG1  VAL  39          1HG1      VAL  39  -0.866  13.054   2.852
  330   2HG1  VAL  39          2HG1      VAL  39  -2.502  13.154   3.507
  331   3HG1  VAL  39          3HG1      VAL  39  -2.250  13.096   1.763
  332   1HG2  VAL  39          1HG2      VAL  39  -3.778  11.127   1.677
  333   2HG2  VAL  39          2HG2      VAL  39  -3.969  11.242   3.430
  334   3HG2  VAL  39          3HG2      VAL  39  -3.455   9.723   2.687
  335    H    ALA  40           H        ALA  40   0.757  10.431   3.538
  336    HA   ALA  40           HA       ALA  40   2.641  11.043   3.854
  337   1HB   ALA  40          1HB       ALA  40   2.985  10.885   0.885
  338   2HB   ALA  40          2HB       ALA  40   3.205   9.539   2.010
  339   3HB   ALA  40          3HB       ALA  40   4.274  10.942   2.070
  340    H    GLU  41           H        GLU  41   1.473  12.924   4.649
  341    HA   GLU  41           HA       GLU  41   2.919  14.966   3.549
  342   1HB   GLU  41          2HB       GLU  41   0.018  15.106   4.453
  343   2HB   GLU  41          1HB       GLU  41   1.006  16.535   4.248
  344   1HG   GLU  41          2HG       GLU  41   1.213  16.023   1.858
  345   2HG   GLU  41          1HG       GLU  41   0.176  14.613   2.075
  346    H    VAL  42           H        VAL  42   3.889  15.764   5.469
  347    HA   VAL  42           HA       VAL  42   2.893  14.928   8.184
  348    HB   VAL  42           HB       VAL  42   5.775  14.673   7.358
  349   1HG1  VAL  42          1HG1      VAL  42   6.000  13.430   9.450
  350   2HG1  VAL  42          2HG1      VAL  42   4.275  13.654   9.755
  351   3HG1  VAL  42          3HG1      VAL  42   5.346  15.051   9.686
  352   1HG2  VAL  42          1HG2      VAL  42   4.666  12.936   6.071
  353   2HG2  VAL  42          2HG2      VAL  42   3.844  12.357   7.516
  354   3HG2  VAL  42          3HG2      VAL  42   5.599  12.213   7.382
  355    H    VAL  43           H        VAL  43   2.264  16.211   9.191
  356    HA   VAL  43           HA       VAL  43   3.864  18.473   9.141
  357    HB   VAL  43           HB       VAL  43   1.188  18.078  10.566
  358   1HG1  VAL  43          1HG1      VAL  43   2.482  19.742  11.757
  359   2HG1  VAL  43          2HG1      VAL  43   1.114  20.492  10.934
  360   3HG1  VAL  43          3HG1      VAL  43   2.741  20.638  10.260
  361   1HG2  VAL  43          1HG2      VAL  43   0.251  19.551   8.839
  362   2HG2  VAL  43          2HG2      VAL  43   0.980  18.104   8.140
  363   3HG2  VAL  43          3HG2      VAL  43   1.835  19.645   8.071
  364    H    ILE  44           H        ILE  44   5.400  18.421  10.668
  365    HA   ILE  44           HA       ILE  44   5.040  17.046  13.257
  366    HB   ILE  44           HB       ILE  44   5.978  15.341  11.723
  367   1HG1  ILE  44          2HG1      ILE  44   8.133  16.403  13.557
  368   2HG1  ILE  44          1HG1      ILE  44   6.787  15.390  14.068
  369   1HG2  ILE  44          1HG2      ILE  44   8.113  17.356  11.221
  370   2HG2  ILE  44          2HG2      ILE  44   6.934  16.768  10.041
  371   3HG2  ILE  44          3HG2      ILE  44   8.187  15.683  10.670
  372   1HD1  ILE  44          1HD1      ILE  44   8.955  14.621  12.137
  373   2HD1  ILE  44          2HD1      ILE  44   7.603  13.602  12.631
  374   3HD1  ILE  44          3HD1      ILE  44   8.812  14.098  13.816
  375    H    ASP  45           H        ASP  45   5.845  17.681  14.878
  376    HA   ASP  45           HA       ASP  45   7.371  20.189  14.780
  377   1HB   ASP  45          2HB       ASP  45   5.250  19.878  16.263
  378   2HB   ASP  45          1HB       ASP  45   6.220  18.744  17.190
  379    H    ASP  46           H        ASP  46   9.879  19.906  15.519
  380    HA   ASP  46           HA       ASP  46  10.764  17.819  16.558
  381   1HB   ASP  46          2HB       ASP  46  10.365  16.375  14.641
  382   2HB   ASP  46          1HB       ASP  46  10.553  17.711  13.516
  383    H    SER  47           H        SER  47  12.696  18.787  17.185
  384    HA   SER  47           HA       SER  47  13.333  20.929  15.447
  385   1HB   SER  47          2HB       SER  47  13.492  21.085  18.466
  386   2HB   SER  47          1HB       SER  47  13.831  22.385  17.323
  387    HG   SER  47           HG       SER  47  11.459  21.414  18.278
  388    H    LYS  48           H        LYS  48  14.722  19.499  14.483
  389    HA   LYS  48           HA       LYS  48  17.181  19.132  15.965
  390   1HB   LYS  48          2HB       LYS  48  16.384  17.949  13.263
  391   2HB   LYS  48          1HB       LYS  48  17.982  17.771  13.938
  392   1HG   LYS  48          2HG       LYS  48  15.504  16.755  15.230
  393   2HG   LYS  48          1HG       LYS  48  16.456  15.841  14.060
  394   1HD   LYS  48          2HD       LYS  48  17.489  16.942  16.671
  395   2HD   LYS  48          1HD       LYS  48  17.006  15.272  16.391
  396   1HE   LYS  48          2HE       LYS  48  18.747  15.085  14.675
  397   2HE   LYS  48          1HE       LYS  48  19.259  16.738  15.024
  398   1HZ   LYS  48          1HZ       LYS  48  20.666  15.273  16.251
  399   2HZ   LYS  48          2HZ       LYS  48  19.335  14.432  16.874
  400   3HZ   LYS  48          3HZ       LYS  48  19.596  16.021  17.338
  401    H    VAL  49           H        VAL  49  16.082  19.540  12.767
  402    HA   VAL  49           HA       VAL  49  16.499  22.124  11.887
  403    HB   VAL  49           HB       VAL  49  18.818  20.261  11.047
  404   1HG1  VAL  49          1HG1      VAL  49  18.027  22.940   9.915
  405   2HG1  VAL  49          2HG1      VAL  49  17.866  21.381   9.108
  406   3HG1  VAL  49          3HG1      VAL  49  19.468  22.025   9.477
  407   1HG2  VAL  49          1HG2      VAL  49  19.347  21.552  13.074
  408   2HG2  VAL  49          2HG2      VAL  49  18.935  23.042  12.225
  409   3HG2  VAL  49          3HG2      VAL  49  20.315  22.075  11.697
  410    H    ASN  50           H        ASN  50  16.920  18.745  11.161
  411    HA   ASN  50           HA       ASN  50  15.498  17.283  10.300
  412   1HB   ASN  50          2HB       ASN  50  13.482  17.632   9.261
  413   2HB   ASN  50          1HB       ASN  50  13.655  19.190  10.033
  414   1HD2  ASN  50          1HD2      ASN  50  12.200  18.188   7.609
  415   2HD2  ASN  50          2HD2      ASN  50  12.625  19.245   6.342
  416    H    ILE  51           H        ILE  51  17.518  19.267   8.731
  417    HA   ILE  51           HA       ILE  51  17.828  18.204   6.438
  418    HB   ILE  51           HB       ILE  51  19.441  19.801   7.276
  419   1HG1  ILE  51          2HG1      ILE  51  20.948  17.449   6.122
  420   2HG1  ILE  51          1HG1      ILE  51  19.918  18.502   5.168
  421   1HG2  ILE  51          1HG2      ILE  51  21.428  19.128   8.545
  422   2HG2  ILE  51          2HG2      ILE  51  20.791  17.486   8.655
  423   3HG2  ILE  51          3HG2      ILE  51  19.934  18.819   9.430
  424   1HD1  ILE  51          1HD1      ILE  51  22.382  19.332   6.679
  425   2HD1  ILE  51          2HD1      ILE  51  21.365  20.389   5.698
  426   3HD1  ILE  51          3HD1      ILE  51  22.267  19.076   4.939
  427    H    GLU  52           H        GLU  52  18.616  16.166   9.420
  428    HA   GLU  52           HA       GLU  52  19.538  13.999   7.968
  429   1HB   GLU  52          2HB       GLU  52  18.978  12.689  10.084
  430   2HB   GLU  52          1HB       GLU  52  20.132  13.993  10.241
  431   1HG   GLU  52          2HG       GLU  52  17.230  14.348  10.908
  432   2HG   GLU  52          1HG       GLU  52  18.385  13.702  12.077
  433    H    GLU  53           H        GLU  53  16.421  15.021   9.039
  434    HA   GLU  53           HA       GLU  53  14.780  12.971   8.779
  435   1HB   GLU  53          2HB       GLU  53  14.102  15.107   9.495
  436   2HB   GLU  53          1HB       GLU  53  14.291  15.779   7.890
  437   1HG   GLU  53          2HG       GLU  53  12.463  14.231   7.150
  438   2HG   GLU  53          1HG       GLU  53  12.187  13.878   8.861
  439    H    LEU  54           H        LEU  54  15.832  15.447   6.596
  440    HA   LEU  54           HA       LEU  54  14.654  15.001   4.127
  441   1HB   LEU  54          2HB       LEU  54  15.794  17.068   4.752
  442   2HB   LEU  54          1HB       LEU  54  17.331  16.237   4.782
  443    HG   LEU  54           HG       LEU  54  17.118  15.864   2.324
  444   1HD1  LEU  54          1HD1      LEU  54  15.483  17.158   1.074
  445   2HD1  LEU  54          2HD1      LEU  54  14.739  17.695   2.580
  446   3HD1  LEU  54          3HD1      LEU  54  14.693  15.990   2.128
  447   1HD2  LEU  54          1HD2      LEU  54  18.433  17.714   3.186
  448   2HD2  LEU  54          2HD2      LEU  54  16.992  18.721   3.278
  449   3HD2  LEU  54          3HD2      LEU  54  17.599  18.195   1.707
  450    H    LYS  55           H        LYS  55  17.416  13.631   5.629
  451    HA   LYS  55           HA       LYS  55  18.341  12.122   3.271
  452   1HB   LYS  55          2HB       LYS  55  20.142  12.662   4.752
  453   2HB   LYS  55          1HB       LYS  55  19.169  12.307   6.171
  454   1HG   LYS  55          2HG       LYS  55  20.766  10.564   5.926
  455   2HG   LYS  55          1HG       LYS  55  19.186   9.916   5.531
  456   1HD   LYS  55          2HD       LYS  55  19.863  10.356   3.091
  457   2HD   LYS  55          1HD       LYS  55  21.506  10.497   3.734
  458   1HE   LYS  55          2HE       LYS  55  19.648   8.130   3.888
  459   2HE   LYS  55          1HE       LYS  55  21.231   8.217   3.124
  460   1HZ   LYS  55          1HZ       LYS  55  22.218   8.466   5.338
  461   2HZ   LYS  55          2HZ       LYS  55  21.359   7.044   5.203
  462   3HZ   LYS  55          3HZ       LYS  55  20.685   8.331   6.053
  463    H    GLU  56           H        GLU  56  16.609  11.092   6.332
  464    HA   GLU  56           HA       GLU  56  16.527   8.600   5.296
  465   1HB   GLU  56          2HB       GLU  56  14.850   9.947   7.378
  466   2HB   GLU  56          1HB       GLU  56  14.940   8.206   7.120
  467   1HG   GLU  56          2HG       GLU  56  17.205  10.026   7.908
  468   2HG   GLU  56          1HG       GLU  56  16.434   8.843   8.948
  469    H    LYS  57           H        LYS  57  14.029  11.028   5.156
  470    HA   LYS  57           HA       LYS  57  12.313   9.371   3.353
  471   1HB   LYS  57          2HB       LYS  57  10.934  11.282   2.949
  472   2HB   LYS  57          1HB       LYS  57  11.230  11.226   4.680
  473   1HG   LYS  57          2HG       LYS  57  12.870  13.063   4.365
  474   2HG   LYS  57          1HG       LYS  57  12.448  13.100   2.645
  475   1HD   LYS  57          2HD       LYS  57  10.045  13.416   3.341
  476   2HD   LYS  57          1HD       LYS  57  10.620  13.608   4.991
  477   1HE   LYS  57          2HE       LYS  57  11.593  15.311   2.729
  478   2HE   LYS  57          1HE       LYS  57  10.157  15.728   3.640
  479   1HZ   LYS  57          1HZ       LYS  57  12.888  15.422   4.809
  480   2HZ   LYS  57          2HZ       LYS  57  11.513  16.019   5.630
  481   3HZ   LYS  57          3HZ       LYS  57  12.145  16.848   4.325
  482    H    LEU  58           H        LEU  58  14.860  10.930   2.838
  483    HA   LEU  58           HA       LEU  58  14.780  10.673  -0.254
  484   1HB   LEU  58          2HB       LEU  58  16.156  12.538   1.074
  485   2HB   LEU  58          1HB       LEU  58  17.238  11.199   1.364
  486    HG   LEU  58           HG       LEU  58  17.492  10.929  -1.105
  487   1HD1  LEU  58          1HD1      LEU  58  15.936  13.512  -1.173
  488   2HD1  LEU  58          2HD1      LEU  58  15.351  11.957  -1.757
  489   3HD1  LEU  58          3HD1      LEU  58  16.718  12.741  -2.552
  490   1HD2  LEU  58          1HD2      LEU  58  19.088  12.220   0.232
  491   2HD2  LEU  58          2HD2      LEU  58  18.120  13.670  -0.019
  492   3HD2  LEU  58          3HD2      LEU  58  18.905  12.885  -1.390
  493    H    LYS  59           H        LYS  59  15.297   8.417   2.264
  494    HA   LYS  59           HA       LYS  59  16.354   7.016   0.171
  495   1HB   LYS  59          2HB       LYS  59  15.816   6.234   2.957
  496   2HB   LYS  59          1HB       LYS  59  16.123   4.955   1.772
  497   1HG   LYS  59          2HG       LYS  59  17.894   7.358   2.055
  498   2HG   LYS  59          1HG       LYS  59  18.175   5.852   2.946
  499   1HD   LYS  59          2HD       LYS  59  18.690   4.659   1.057
  500   2HD   LYS  59          1HD       LYS  59  17.725   5.654  -0.006
  501   1HE   LYS  59          2HE       LYS  59  20.245   6.616   1.299
  502   2HE   LYS  59          1HE       LYS  59  20.229   5.804  -0.270
  503   1HZ   LYS  59          1HZ       LYS  59  20.213   8.181  -0.532
  504   2HZ   LYS  59          2HZ       LYS  59  18.819   8.360   0.373
  505   3HZ   LYS  59          3HZ       LYS  59  18.774   7.564  -1.109
  506    H    GLY  60           H        GLY  60  13.075   7.347   1.251
  507   1HA   GLY  60          2HA       GLY  60  12.082   5.230  -0.422
  508   2HA   GLY  60          1HA       GLY  60  11.151   6.654   0.097
  509    H    GLU  61           H        GLU  61  12.114   8.468  -0.636
  510    HA   GLU  61           HA       GLU  61  12.737  10.023  -1.870
  511   1HB   GLU  61          2HB       GLU  61  14.783   9.035  -1.813
  512   2HB   GLU  61          1HB       GLU  61  14.395   7.908  -3.081
  513   1HG   GLU  61          2HG       GLU  61  14.684   9.668  -4.720
  514   2HG   GLU  61          1HG       GLU  61  15.111  10.802  -3.436
  515    H    VAL  62           H        VAL  62  11.275   7.901  -3.200
  516    HA   VAL  62           HA       VAL  62  11.684   7.382  -5.654
  517    HB   VAL  62           HB       VAL  62   8.853   6.873  -4.703
  518   1HG1  VAL  62          1HG1      VAL  62   9.959   5.838  -7.310
  519   2HG1  VAL  62          2HG1      VAL  62   8.632   6.986  -7.130
  520   3HG1  VAL  62          3HG1      VAL  62   8.448   5.325  -6.561
  521   1HG2  VAL  62          1HG2      VAL  62  10.685   5.630  -3.671
  522   2HG2  VAL  62          2HG2      VAL  62  11.176   5.027  -5.254
  523   3HG2  VAL  62          3HG2      VAL  62   9.620   4.553  -4.572
  524    H    ILE  63           H        ILE  63   9.117   8.864  -4.499
  525    HA   ILE  63           HA       ILE  63   8.808  11.246  -6.348
  526    HB   ILE  63           HB       ILE  63   6.368  11.280  -6.127
  527   1HG1  ILE  63          2HG1      ILE  63   6.648   8.540  -4.878
  528   2HG1  ILE  63          1HG1      ILE  63   6.205  10.001  -4.010
  529   1HG2  ILE  63          1HG2      ILE  63   7.433   8.751  -7.359
  530   2HG2  ILE  63          2HG2      ILE  63   7.282  10.326  -8.137
  531   3HG2  ILE  63          3HG2      ILE  63   5.835   9.429  -7.663
  532   1HD1  ILE  63          1HD1      ILE  63   4.626   8.656  -6.197
  533   2HD1  ILE  63          2HD1      ILE  63   4.185  10.165  -5.411
  534   3HD1  ILE  63          3HD1      ILE  63   4.241   8.671  -4.471
  535    H    GLU  64           H        GLU  64   9.299  10.450  -3.472
  536    HA   GLU  64           HA       GLU  64   8.256  12.134  -2.740
  537   1HB   GLU  64          2HB       GLU  64   9.208  11.047  -0.715
  538   2HB   GLU  64          1HB       GLU  64  10.715  11.902  -0.968
  539   1HG   GLU  64          2HG       GLU  64   8.236  12.976   0.377
  540   2HG   GLU  64          1HG       GLU  64   9.742  12.529   1.160
  541    H    GLU  65           H        GLU  65   8.803  15.002  -2.221
  542    HA   GLU  65           HA       GLU  65  10.405  15.486  -4.679
  543   1HB   GLU  65          2HB       GLU  65   7.961  16.851  -3.668
  544   2HB   GLU  65          1HB       GLU  65   8.851  17.316  -5.102
  545   1HG   GLU  65          2HG       GLU  65   8.208  15.237  -6.144
  546   2HG   GLU  65          1HG       GLU  65   7.400  14.730  -4.647
  547    H    LYS  66           H        LYS  66   8.984  17.276  -2.298
  548    HA   LYS  66           HA       LYS  66  10.989  19.306  -2.704
  549   1HB   LYS  66          2HB       LYS  66   9.103  21.083  -2.323
  550   2HB   LYS  66          1HB       LYS  66   9.244  20.215  -3.845
  551   1HG   LYS  66          2HG       LYS  66   7.474  18.642  -3.078
  552   2HG   LYS  66          1HG       LYS  66   7.307  19.576  -1.597
  553   1HD   LYS  66          2HD       LYS  66   6.610  21.521  -2.879
  554   2HD   LYS  66          1HD       LYS  66   6.882  20.652  -4.387
  555   1HE   LYS  66          2HE       LYS  66   4.924  19.644  -2.322
  556   2HE   LYS  66          1HE       LYS  66   4.451  20.852  -3.502
  557   1HZ   LYS  66          1HZ       LYS  66   5.397  18.065  -4.195
  558   2HZ   LYS  66          2HZ       LYS  66   5.022  19.260  -5.280
  559   3HZ   LYS  66          3HZ       LYS  66   3.842  18.665  -4.284
  560    H    GLU  67           H        GLU  67  11.745  20.825  -0.537
  561    HA   GLU  67           HA       GLU  67  10.632  19.730   1.776
  562   1HB   GLU  67          2HB       GLU  67  13.097  19.305   1.214
  563   2HB   GLU  67          1HB       GLU  67  13.280  21.044   1.120
  564   1HG   GLU  67          2HG       GLU  67  14.036  20.254   3.253
  565   2HG   GLU  67          1HG       GLU  67  12.573  21.226   3.461
  566    H    ILE  68           H        ILE  68   8.856  21.263   1.155
  567    HA   ILE  68           HA       ILE  68   9.459  24.004   1.680
  568    HB   ILE  68           HB       ILE  68   8.229  23.577  -0.306
  569   1HG1  ILE  68          2HG1      ILE  68   6.233  24.419   1.815
  570   2HG1  ILE  68          1HG1      ILE  68   7.435  25.463   1.068
  571   1HG2  ILE  68          1HG2      ILE  68   6.104  22.367  -0.467
  572   2HG2  ILE  68          2HG2      ILE  68   6.364  21.760   1.169
  573   3HG2  ILE  68          3HG2      ILE  68   7.499  21.349  -0.115
  574   1HD1  ILE  68          1HD1      ILE  68   5.228  25.823   0.120
  575   2HD1  ILE  68          2HD1      ILE  68   5.134  24.123  -0.337
  576   3HD1  ILE  68          3HD1      ILE  68   6.330  25.173  -1.095
  577    H    THR  69           H        THR  69   9.796  23.493   3.900
  578    HA   THR  69           HA       THR  69   8.507  21.731   4.465
  579    HB   THR  69           HB       THR  69  10.572  21.232   5.303
  580    HG1  THR  69           HG1      THR  69  10.309  20.239   7.004
  581   1HG2  THR  69          1HG2      THR  69  11.861  22.677   6.823
  582   2HG2  THR  69          2HG2      THR  69  10.438  23.700   7.037
  583   3HG2  THR  69          3HG2      THR  69  11.198  23.570   5.452
  584    H    LEU  70           H        LEU  70   6.717  23.630   4.605
  585    HA   LEU  70           HA       LEU  70   6.656  25.934   5.945
  586   1HB   LEU  70          2HB       LEU  70   6.242  25.510   3.808
  587   2HB   LEU  70          1HB       LEU  70   4.924  24.425   4.191
  588    HG   LEU  70           HG       LEU  70   3.714  26.345   5.226
  589   1HD1  LEU  70          1HD1      LEU  70   4.476  28.612   4.705
  590   2HD1  LEU  70          2HD1      LEU  70   5.995  27.949   4.092
  591   3HD1  LEU  70          3HD1      LEU  70   5.571  27.763   5.792
  592   1HD2  LEU  70          1HD2      LEU  70   3.105  27.399   3.101
  593   2HD2  LEU  70          2HD2      LEU  70   3.239  25.649   2.945
  594   3HD2  LEU  70          3HD2      LEU  70   4.529  26.689   2.341
  595    H    GLN  71           H        GLN  71   5.066  25.273   8.781
  596    HA   GLN  71           HA       GLN  71   3.375  24.811   9.699
  597   1HB   GLN  71          2HB       GLN  71   3.258  26.973   8.489
  598   2HB   GLN  71          1HB       GLN  71   2.267  26.192   7.276
  599   1HG   GLN  71          2HG       GLN  71   0.524  25.766   9.029
  600   2HG   GLN  71          1HG       GLN  71   1.592  26.521  10.198
  601   1HE2  GLN  71          1HE2      GLN  71   0.026  28.013  10.643
  602   2HE2  GLN  71          2HE2      GLN  71  -0.283  29.369   9.632
  603    H    GLU  72           H        GLU  72   0.964  24.762   7.866
  604    HA   GLU  72           HA       GLU  72   1.156  22.316   6.515
  605   1HB   GLU  72          2HB       GLU  72  -1.214  24.146   6.782
  606   2HB   GLU  72          1HB       GLU  72  -1.296  22.679   5.821
  607   1HG   GLU  72          2HG       GLU  72  -0.696  21.369   7.811
  608   2HG   GLU  72          1HG       GLU  72  -0.693  22.855   8.763
  609    H    LEU  73           H        LEU  73   0.207  23.261   3.323
  610    HA   LEU  73           HA       LEU  73   0.531  24.893   2.226
  611   1HB   LEU  73          2HB       LEU  73  -2.137  24.193   3.211
  612   2HB   LEU  73          1HB       LEU  73  -1.793  25.080   1.733
  613    HG   LEU  73           HG       LEU  73  -0.988  22.250   2.406
  614   1HD1  LEU  73          1HD1      LEU  73  -2.515  21.722   0.564
  615   2HD1  LEU  73          2HD1      LEU  73  -2.961  23.427   0.467
  616   3HD1  LEU  73          3HD1      LEU  73  -3.321  22.499   1.922
  617   1HD2  LEU  73          1HD2      LEU  73  -0.188  22.158   0.071
  618   2HD2  LEU  73          2HD2      LEU  73   0.753  23.281   1.039
  619   3HD2  LEU  73          3HD2      LEU  73  -0.466  23.892  -0.086
  620    H    ILE  74           H        ILE  74  -2.388  25.835   3.150
  621    HA   ILE  74           HA       ILE  74  -2.130  28.189   5.053
  622    HB   ILE  74           HB       ILE  74  -3.157  28.517   2.704
  623   1HG1  ILE  74          2HG1      ILE  74  -5.017  28.893   5.061
  624   2HG1  ILE  74          1HG1      ILE  74  -3.704  29.982   4.629
  625   1HG2  ILE  74          1HG2      ILE  74  -4.171  26.353   2.428
  626   2HG2  ILE  74          2HG2      ILE  74  -5.412  27.605   2.351
  627   3HG2  ILE  74          3HG2      ILE  74  -5.229  26.639   3.810
  628   1HD1  ILE  74          1HD1      ILE  74  -4.810  30.455   2.489
  629   2HD1  ILE  74          2HD1      ILE  74  -5.835  30.846   3.864
  630   3HD1  ILE  74          3HD1      ILE  74  -6.123  29.371   2.943
  Start of MODEL    4
    1    H    SER   1           H        SER   1  10.069  22.615  13.530
    2    HA   SER   1           HA       SER   1   8.240  21.440  13.318
    3   1HB   SER   1          2HB       SER   1   6.577  23.237  12.998
    4   2HB   SER   1          1HB       SER   1   7.256  23.626  11.423
    5    HG   SER   1           HG       SER   1   5.952  22.194  10.596
    6    H    LYS   2           H        LYS   2   7.927  20.239  10.520
    7    HA   LYS   2           HA       LYS   2   9.918  21.201   8.874
    8   1HB   LYS   2          2HB       LYS   2  10.118  18.410  10.071
    9   2HB   LYS   2          1HB       LYS   2  10.971  18.949   8.639
   10   1HG   LYS   2          2HG       LYS   2  12.169  20.603  10.044
   11   2HG   LYS   2          1HG       LYS   2  11.365  19.918  11.457
   12   1HD   LYS   2          2HD       LYS   2  12.353  17.724  10.905
   13   2HD   LYS   2          1HD       LYS   2  13.224  18.483   9.570
   14   1HE   LYS   2          2HE       LYS   2  14.331  19.980  11.156
   15   2HE   LYS   2          1HE       LYS   2  13.451  19.202  12.474
   16   1HZ   LYS   2          1HZ       LYS   2  15.632  18.238  12.342
   17   2HZ   LYS   2          2HZ       LYS   2  15.441  17.917  10.694
   18   3HZ   LYS   2          3HZ       LYS   2  14.519  17.101  11.798
   19    H    TRP   3           H        TRP   3   9.619  20.120   6.839
   20    HA   TRP   3           HA       TRP   3   7.399  18.259   6.465
   21   1HB   TRP   3          2HB       TRP   3   6.396  20.693   6.247
   22   2HB   TRP   3          1HB       TRP   3   7.529  20.852   4.903
   23    HD1  TRP   3           HD1      TRP   3   4.872  18.324   6.026
   24    HE1  TRP   3           HE1      TRP   3   3.641  17.413   3.921
   25    HE3  TRP   3           HE3      TRP   3   7.379  20.956   2.477
   26    HZ2  TRP   3           HZ2      TRP   3   3.716  17.848   1.144
   27    HZ3  TRP   3           HZ3      TRP   3   6.737  20.678   0.123
   28    HH2  TRP   3           HH2      TRP   3   4.947  19.160  -0.526
   29    H    ILE   4           H        ILE   4   8.319  16.712   6.089
   30    HA   ILE   4           HA       ILE   4  10.339  16.501   3.878
   31    HB   ILE   4           HB       ILE   4  11.075  14.616   5.166
   32   1HG1  ILE   4          2HG1      ILE   4   8.960  15.286   7.245
   33   2HG1  ILE   4          1HG1      ILE   4   8.733  14.092   5.979
   34   1HG2  ILE   4          1HG2      ILE   4  10.801  16.962   7.063
   35   2HG2  ILE   4          2HG2      ILE   4  12.089  16.735   5.879
   36   3HG2  ILE   4          3HG2      ILE   4  11.941  15.627   7.238
   37   1HD1  ILE   4          1HD1      ILE   4   9.298  13.103   8.136
   38   2HD1  ILE   4          2HD1      ILE   4  10.834  13.982   8.120
   39   3HD1  ILE   4          3HD1      ILE   4  10.508  12.751   6.905
   40    H    LYS   5           H        LYS   5  10.114  13.653   3.840
   41    HA   LYS   5           HA       LYS   5   7.598  13.476   2.986
   42   1HB   LYS   5          2HB       LYS   5   8.780  14.560   0.988
   43   2HB   LYS   5          1HB       LYS   5   9.740  13.101   0.843
   44   1HG   LYS   5          2HG       LYS   5   7.646  11.802   0.370
   45   2HG   LYS   5          1HG       LYS   5   6.753  13.306   0.496
   46   1HD   LYS   5          2HD       LYS   5   7.998  14.223  -1.377
   47   2HD   LYS   5          1HD       LYS   5   8.922  12.725  -1.498
   48   1HE   LYS   5          2HE       LYS   5   6.842  11.494  -1.903
   49   2HE   LYS   5          1HE       LYS   5   5.949  13.010  -1.845
   50   1HZ   LYS   5          1HZ       LYS   5   8.084  12.360  -3.808
   51   2HZ   LYS   5          2HZ       LYS   5   7.161  13.780  -3.764
   52   3HZ   LYS   5          3HZ       LYS   5   6.427  12.301  -4.085
   53    H    PHE   6           H        PHE   6   8.848  11.356   1.354
   54    HA   PHE   6           HA       PHE   6  10.062   9.426   3.144
   55   1HB   PHE   6          2HB       PHE   6   7.522   9.900   3.764
   56   2HB   PHE   6          1HB       PHE   6   7.372   8.365   2.916
   57    HD1  PHE   6           HD1      PHE   6   8.089   6.327   3.948
   58    HD2  PHE   6           HD2      PHE   6   9.057  10.066   5.734
   59    HE1  PHE   6           HE1      PHE   6   8.861   5.159   5.971
   60    HE2  PHE   6           HE2      PHE   6   9.828   8.905   7.758
   61    HZ   PHE   6           HZ       PHE   6   9.732   6.449   7.880
   62    H    THR   7           H        THR   7   9.053   6.889   2.503
   63    HA   THR   7           HA       THR   7   8.669   6.059  -0.279
   64    HB   THR   7           HB       THR   7   8.285   4.880   2.439
   65    HG1  THR   7           HG1      THR   7  10.350   3.996   2.338
   66   1HG2  THR   7          1HG2      THR   7   8.707   2.745   1.164
   67   2HG2  THR   7          2HG2      THR   7   8.651   3.734  -0.317
   68   3HG2  THR   7          3HG2      THR   7   7.254   3.638   0.735
   69    H    THR   8           H        THR   8   6.471   5.941  -1.173
   70    HA   THR   8           HA       THR   8   4.624   6.026   0.900
   71    HB   THR   8           HB       THR   8   3.084   7.097  -0.958
   72    HG1  THR   8           HG1      THR   8   4.610   6.542  -2.643
   73   1HG2  THR   8          1HG2      THR   8   3.982   8.403   0.913
   74   2HG2  THR   8          2HG2      THR   8   4.017   9.347  -0.580
   75   3HG2  THR   8          3HG2      THR   8   5.498   8.620   0.041
   76    H    ASN   9           H        ASN   9   4.531   3.478   0.698
   77    HA   ASN   9           HA       ASN   9   3.984   2.164  -1.958
   78   1HB   ASN   9          2HB       ASN   9   6.323   2.744  -2.050
   79   2HB   ASN   9          1HB       ASN   9   6.602   1.939  -0.520
   80   1HD2  ASN   9          1HD2      ASN   9   4.468   0.687  -3.094
   81   2HD2  ASN   9          2HD2      ASN   9   5.462  -0.672  -3.432
   82    H    LEU  10           H        LEU  10   5.737   1.132   0.870
   83    HA   LEU  10           HA       LEU  10   4.366  -1.458   1.418
   84   1HB   LEU  10          2HB       LEU  10   6.400   0.162   2.880
   85   2HB   LEU  10          1HB       LEU  10   6.044  -1.551   3.017
   86    HG   LEU  10           HG       LEU  10   7.414  -0.203   0.683
   87   1HD1  LEU  10          1HD1      LEU  10   8.823  -0.440   2.662
   88   2HD1  LEU  10          2HD1      LEU  10   9.340  -1.492   1.343
   89   3HD1  LEU  10          3HD1      LEU  10   8.443  -2.166   2.702
   90   1HD2  LEU  10          1HD2      LEU  10   7.719  -2.475  -0.199
   91   2HD2  LEU  10          2HD2      LEU  10   6.017  -2.032  -0.098
   92   3HD2  LEU  10          3HD2      LEU  10   6.717  -3.112   1.107
   93    H    THR  11           H        THR  11   4.482  -1.697   4.052
   94    HA   THR  11           HA       THR  11   2.096  -0.611   4.743
   95    HB   THR  11           HB       THR  11   1.388  -3.274   4.654
   96    HG1  THR  11           HG1      THR  11   1.978  -2.867   2.005
   97   1HG2  THR  11          1HG2      THR  11   0.695  -1.151   2.605
   98   2HG2  THR  11          2HG2      THR  11  -0.096  -1.357   4.167
   99   3HG2  THR  11          3HG2      THR  11  -0.246  -2.606   2.931
  100    HA   PRO  12           HA       PRO  12   4.184  -2.913   7.766
  101   1HB   PRO  12          2HB       PRO  12   6.192  -4.824   7.435
  102   2HB   PRO  12          1HB       PRO  12   4.461  -5.157   7.518
  103   1HG   PRO  12          2HG       PRO  12   6.207  -5.293   5.213
  104   2HG   PRO  12          1HG       PRO  12   4.501  -5.744   5.325
  105   1HD   PRO  12          2HD       PRO  12   5.721  -3.263   4.313
  106   2HD   PRO  12          1HD       PRO  12   4.094  -3.913   4.017
  107    H    GLU  13           H        GLU  13   5.306  -0.612   6.670
  108    HA   GLU  13           HA       GLU  13   8.177  -0.805   6.973
  109   1HB   GLU  13          2HB       GLU  13   7.357   0.093   4.854
  110   2HB   GLU  13          1HB       GLU  13   6.555   1.401   5.719
  111   1HG   GLU  13          2HG       GLU  13   8.703   2.089   4.752
  112   2HG   GLU  13          1HG       GLU  13   8.683   2.225   6.515
  113    H    GLU  14           H        GLU  14   8.899  -0.321   8.633
  114    HA   GLU  14           HA       GLU  14   8.613   2.194  10.112
  115   1HB   GLU  14          2HB       GLU  14   8.133  -0.418  11.594
  116   2HB   GLU  14          1HB       GLU  14   8.385   1.130  12.363
  117   1HG   GLU  14          2HG       GLU  14   6.265   1.922  11.498
  118   2HG   GLU  14          1HG       GLU  14   6.030   0.394  10.642
  119    H    ALA  15           H        ALA  15  10.532   0.237   8.720
  120    HA   ALA  15           HA       ALA  15  12.381  -0.056  11.008
  121   1HB   ALA  15          1HB       ALA  15  12.822  -1.489   8.401
  122   2HB   ALA  15          2HB       ALA  15  11.810  -2.169   9.671
  123   3HB   ALA  15          3HB       ALA  15  13.518  -1.859   9.977
  124    H    LYS  16           H        LYS  16  12.036   2.108   8.726
  125    HA   LYS  16           HA       LYS  16  14.864   2.583   8.520
  126   1HB   LYS  16          2HB       LYS  16  12.488   4.098   7.504
  127   2HB   LYS  16          1HB       LYS  16  14.043   4.906   7.583
  128   1HG   LYS  16          2HG       LYS  16  13.669   4.013   5.364
  129   2HG   LYS  16          1HG       LYS  16  15.015   3.179   6.132
  130   1HD   LYS  16          2HD       LYS  16  13.529   1.299   6.662
  131   2HD   LYS  16          1HD       LYS  16  12.185   2.146   5.897
  132   1HE   LYS  16          2HE       LYS  16  13.107   0.505   4.379
  133   2HE   LYS  16          1HE       LYS  16  13.407   2.128   3.770
  134   1HZ   LYS  16          1HZ       LYS  16  15.371   0.888   3.480
  135   2HZ   LYS  16          2HZ       LYS  16  15.337   0.260   5.014
  136   3HZ   LYS  16          3HZ       LYS  16  15.723   1.882   4.795
  137    H    ILE  17           H        ILE  17  12.429   5.147   9.892
  138    HA   ILE  17           HA       ILE  17  14.302   6.245  11.651
  139    HB   ILE  17           HB       ILE  17  11.265   6.312  11.529
  140   1HG1  ILE  17          2HG1      ILE  17  11.995   6.938   9.306
  141   2HG1  ILE  17          1HG1      ILE  17  11.407   8.364  10.149
  142   1HG2  ILE  17          1HG2      ILE  17  13.217   8.362  12.580
  143   2HG2  ILE  17          2HG2      ILE  17  12.227   7.276  13.553
  144   3HG2  ILE  17          3HG2      ILE  17  11.460   8.522  12.567
  145   1HD1  ILE  17          1HD1      ILE  17  13.723   9.042  10.579
  146   2HD1  ILE  17          2HD1      ILE  17  13.396   8.860   8.856
  147   3HD1  ILE  17          3HD1      ILE  17  14.292   7.610   9.720
  148    H    VAL  18           H        VAL  18  12.680   3.329  12.279
  149    HA   VAL  18           HA       VAL  18  12.669   3.801  15.041
  150    HB   VAL  18           HB       VAL  18  11.613   1.800  13.991
  151   1HG1  VAL  18          1HG1      VAL  18  12.894  -0.207  13.475
  152   2HG1  VAL  18          2HG1      VAL  18  14.388   0.668  13.797
  153   3HG1  VAL  18          3HG1      VAL  18  13.366   1.149  12.445
  154   1HG2  VAL  18          1HG2      VAL  18  11.899   1.793  16.383
  155   2HG2  VAL  18          2HG2      VAL  18  13.538   1.174  16.217
  156   3HG2  VAL  18          3HG2      VAL  18  12.166   0.164  15.761
  157    H    GLN  19           H        GLN  19  15.243   2.468  13.133
  158    HA   GLN  19           HA       GLN  19  17.307   2.767  15.280
  159   1HB   GLN  19          2HB       GLN  19  17.779   2.304  12.315
  160   2HB   GLN  19          1HB       GLN  19  18.929   2.040  13.615
  161   1HG   GLN  19          2HG       GLN  19  17.609   0.147  14.404
  162   2HG   GLN  19          1HG       GLN  19  16.449   0.414  13.107
  163   1HE2  GLN  19          1HE2      GLN  19  18.617   1.087  11.174
  164   2HE2  GLN  19          2HE2      GLN  19  19.333  -0.412  10.763
  165    H    TYR  20           H        TYR  20  16.063   4.950  13.268
  166    HA   TYR  20           HA       TYR  20  18.296   6.914  13.347
  167   1HB   TYR  20          2HB       TYR  20  16.316   6.887  11.721
  168   2HB   TYR  20          1HB       TYR  20  15.399   7.566  13.072
  169    HD1  TYR  20           HD1      TYR  20  15.131   9.874  12.690
  170    HD2  TYR  20           HD2      TYR  20  18.889   8.043  11.895
  171    HE1  TYR  20           HE1      TYR  20  16.130  12.075  12.226
  172    HE2  TYR  20           HE2      TYR  20  19.863  10.197  11.446
  173    HH   TYR  20           HH       TYR  20  19.437  12.289  11.029
  174    H    GLU  21           H        GLU  21  15.494   8.072  14.996
  175    HA   GLU  21           HA       GLU  21  17.539   8.827  16.797
  176   1HB   GLU  21          2HB       GLU  21  14.951  10.220  16.436
  177   2HB   GLU  21          1HB       GLU  21  16.048  10.642  17.754
  178   1HG   GLU  21          2HG       GLU  21  17.864  10.725  15.915
  179   2HG   GLU  21          1HG       GLU  21  16.515  10.794  14.803
  180    H    LEU  22           H        LEU  22  14.556   7.217  17.040
  181    HA   LEU  22           HA       LEU  22  14.440   6.808  20.089
  182   1HB   LEU  22          2HB       LEU  22  12.807   5.061  19.610
  183   2HB   LEU  22          1HB       LEU  22  12.231   6.596  19.018
  184    HG   LEU  22           HG       LEU  22  13.495   4.597  17.140
  185   1HD1  LEU  22          1HD1      LEU  22  11.207   3.793  16.712
  186   2HD1  LEU  22          2HD1      LEU  22  10.619   4.799  18.037
  187   3HD1  LEU  22          3HD1      LEU  22  11.708   3.452  18.368
  188   1HD2  LEU  22          1HD2      LEU  22  13.107   6.893  16.302
  189   2HD2  LEU  22          2HD2      LEU  22  11.430   6.783  16.814
  190   3HD2  LEU  22          3HD2      LEU  22  12.023   5.739  15.530
  191    H    SER  23           H        SER  23  15.765   5.107  17.917
  192    HA   SER  23           HA       SER  23  17.533   3.502  18.915
  193   1HB   SER  23          2HB       SER  23  19.646   4.716  18.429
  194   2HB   SER  23          1HB       SER  23  18.443   4.742  17.143
  195    HG   SER  23           HG       SER  23  19.633   6.788  18.322
  196    H    THR  24           H        THR  24  17.728   6.981  20.025
  197    HA   THR  24           HA       THR  24  18.601   6.229  22.703
  198    HB   THR  24           HB       THR  24  19.193   8.773  22.749
  199    HG1  THR  24           HG1      THR  24  18.429   9.510  20.785
  200   1HG2  THR  24          1HG2      THR  24  21.426   8.251  21.857
  201   2HG2  THR  24          2HG2      THR  24  20.782   6.794  21.106
  202   3HG2  THR  24          3HG2      THR  24  20.827   6.932  22.865
  203    H    ARG  25           H        ARG  25  16.661   8.638  21.160
  204    HA   ARG  25           HA       ARG  25  14.499   9.856  21.814
  205   1HB   ARG  25          2HB       ARG  25  14.592   8.044  24.268
  206   2HB   ARG  25          1HB       ARG  25  13.282   9.105  23.796
  207   1HG   ARG  25          2HG       ARG  25  12.733   7.614  21.924
  208   2HG   ARG  25          1HG       ARG  25  14.092   6.565  22.361
  209   1HD   ARG  25          2HD       ARG  25  13.044   6.182  24.528
  210   2HD   ARG  25          1HD       ARG  25  11.697   7.213  24.067
  211    HE   ARG  25           HE       ARG  25  11.403   5.482  22.201
  212   1HH1  ARG  25          1HH1      ARG  25  12.636   4.682  25.436
  213   2HH1  ARG  25          2HH1      ARG  25  11.986   3.114  25.441
  214   1HH2  ARG  25          1HH2      ARG  25  10.458   3.359  22.250
  215   2HH2  ARG  25          2HH2      ARG  25  10.680   2.353  23.608
  216    H    ASP  26           H        ASP  26  13.603  11.174  23.369
  217    HA   ASP  26           HA       ASP  26  13.771  13.265  24.345
  218   1HB   ASP  26          2HB       ASP  26  15.359  13.858  25.833
  219   2HB   ASP  26          1HB       ASP  26  15.602  12.133  25.836
  220    H    GLU  27           H        GLU  27  15.739  12.464  21.887
  221    HA   GLU  27           HA       GLU  27  16.140  15.342  21.231
  222   1HB   GLU  27          2HB       GLU  27  17.466  14.793  19.189
  223   2HB   GLU  27          1HB       GLU  27  18.191  14.325  20.704
  224   1HG   GLU  27          2HG       GLU  27  16.700  12.410  18.947
  225   2HG   GLU  27          1HG       GLU  27  18.420  12.749  18.767
  226    H    PHE  28           H        PHE  28  14.652  12.693  19.583
  227    HA   PHE  28           HA       PHE  28  13.389  14.343  17.544
  228   1HB   PHE  28          2HB       PHE  28  12.302  12.403  16.828
  229   2HB   PHE  28          1HB       PHE  28  13.940  11.940  17.238
  230    HD1  PHE  28           HD1      PHE  28  10.408  11.507  17.939
  231    HD2  PHE  28           HD2      PHE  28  14.341  10.548  19.228
  232    HE1  PHE  28           HE1      PHE  28   9.505   9.674  19.296
  233    HE2  PHE  28           HE2      PHE  28  13.457   8.730  20.570
  234    HZ   PHE  28           HZ       PHE  28  11.028   8.277  20.623
  235    H    TYR  29           H        TYR  29  11.270  14.800  17.345
  236    HA   TYR  29           HA       TYR  29   9.444  14.067  19.355
  237   1HB   TYR  29          2HB       TYR  29  10.446  16.252  20.261
  238   2HB   TYR  29          1HB       TYR  29   9.812  17.061  18.831
  239    HD1  TYR  29           HD1      TYR  29   8.495  14.666  21.389
  240    HD2  TYR  29           HD2      TYR  29   7.851  18.277  19.228
  241    HE1  TYR  29           HE1      TYR  29   6.320  14.930  22.492
  242    HE2  TYR  29           HE2      TYR  29   5.668  18.546  20.335
  243    HH   TYR  29           HH       TYR  29   4.735  16.573  22.990
  244    H    ARG  30           H        ARG  30   7.615  16.293  18.063
  245    HA   ARG  30           HA       ARG  30   5.577  15.170  17.203
  246   1HB   ARG  30          2HB       ARG  30   6.556  17.283  16.024
  247   2HB   ARG  30          1HB       ARG  30   7.090  16.138  14.807
  248   1HG   ARG  30          2HG       ARG  30   5.014  17.064  14.085
  249   2HG   ARG  30          1HG       ARG  30   4.715  15.392  14.564
  250   1HD   ARG  30          2HD       ARG  30   4.214  17.790  16.341
  251   2HD   ARG  30          1HD       ARG  30   2.978  17.041  15.338
  252    HE   ARG  30           HE       ARG  30   3.712  14.951  16.727
  253   1HH1  ARG  30          1HH1      ARG  30   3.289  18.232  17.966
  254   2HH1  ARG  30          2HH1      ARG  30   2.739  17.742  19.490
  255   1HH2  ARG  30          1HH2      ARG  30   2.995  14.268  18.889
  256   2HH2  ARG  30          2HH2      ARG  30   2.578  15.436  20.024
  257    H    VAL  31           H        VAL  31   6.877  14.141  14.050
  258    HA   VAL  31           HA       VAL  31   7.276  12.493  13.356
  259    HB   VAL  31           HB       VAL  31   6.761  10.963  15.969
  260   1HG1  VAL  31          1HG1      VAL  31   7.741   9.810  13.358
  261   2HG1  VAL  31          2HG1      VAL  31   6.175   9.511  14.111
  262   3HG1  VAL  31          3HG1      VAL  31   7.651   8.946  14.894
  263   1HG2  VAL  31          1HG2      VAL  31   9.165  10.524  15.988
  264   2HG2  VAL  31          2HG2      VAL  31   8.851  12.260  15.953
  265   3HG2  VAL  31          3HG2      VAL  31   9.354  11.421  14.485
  266    H    PHE  32           H        PHE  32   5.137  12.826  12.030
  267    HA   PHE  32           HA       PHE  32   2.969  11.499  12.929
  268   1HB   PHE  32          2HB       PHE  32   3.084  14.443  13.351
  269   2HB   PHE  32          1HB       PHE  32   1.663  13.857  12.499
  270    HD1  PHE  32           HD1      PHE  32  -0.107  12.864  13.650
  271    HD2  PHE  32           HD2      PHE  32   3.574  13.499  15.663
  272    HE1  PHE  32           HE1      PHE  32  -1.172  12.254  15.777
  273    HE2  PHE  32           HE2      PHE  32   2.516  12.890  17.798
  274    HZ   PHE  32           HZ       PHE  32   0.143  12.268  17.857
  275    H    ILE  33           H        ILE  33   3.185  10.524  11.092
  276    HA   ILE  33           HA       ILE  33   2.866  12.000   8.571
  277    HB   ILE  33           HB       ILE  33   4.347  10.378   7.473
  278   1HG1  ILE  33          2HG1      ILE  33   4.829   9.172  10.219
  279   2HG1  ILE  33          1HG1      ILE  33   3.834   8.446   8.966
  280   1HG2  ILE  33          1HG2      ILE  33   5.694  11.564   9.903
  281   2HG2  ILE  33          2HG2      ILE  33   5.448  12.361   8.349
  282   3HG2  ILE  33          3HG2      ILE  33   6.527  10.970   8.465
  283   1HD1  ILE  33          1HD1      ILE  33   6.797   8.963   8.801
  284   2HD1  ILE  33          2HD1      ILE  33   5.809   8.229   7.537
  285   3HD1  ILE  33          3HD1      ILE  33   6.023   7.403   9.081
  286    H    ASN  34           H        ASN  34   1.847  10.203   6.769
  287    HA   ASN  34           HA       ASN  34   0.098   8.456   8.221
  288   1HB   ASN  34          2HB       ASN  34  -0.922   9.519   6.337
  289   2HB   ASN  34          1HB       ASN  34   0.495   9.181   5.351
  290   1HD2  ASN  34          1HD2      ASN  34  -2.359   7.810   6.810
  291   2HD2  ASN  34          2HD2      ASN  34  -2.317   6.341   5.915
  292    HA   PRO  35           HA       PRO  35   3.385   5.740   8.323
  293   1HB   PRO  35          2HB       PRO  35   1.505   3.785   9.394
  294   2HB   PRO  35          1HB       PRO  35   2.907   4.519  10.170
  295   1HG   PRO  35          2HG       PRO  35   0.335   5.072  10.877
  296   2HG   PRO  35          1HG       PRO  35   1.675   6.209  11.084
  297   1HD   PRO  35          2HD       PRO  35  -0.465   6.161   9.017
  298   2HD   PRO  35          1HD       PRO  35   0.367   7.524   9.808
  299    H    TYR  36           H        TYR  36   3.499   5.448   6.193
  300    HA   TYR  36           HA       TYR  36   4.220   3.871   4.618
  301   1HB   TYR  36          2HB       TYR  36   3.736   1.429   4.822
  302   2HB   TYR  36          1HB       TYR  36   4.482   2.117   6.251
  303    HD1  TYR  36           HD1      TYR  36   3.546   1.659   8.359
  304    HD2  TYR  36           HD2      TYR  36   1.114   1.177   4.889
  305    HE1  TYR  36           HE1      TYR  36   1.723   0.769   9.753
  306    HE2  TYR  36           HE2      TYR  36  -0.697   0.280   6.276
  307    HH   TYR  36           HH       TYR  36  -0.779   0.670   9.534
  308    H    ALA  37           H        ALA  37   0.863   4.139   5.268
  309    HA   ALA  37           HA       ALA  37  -0.082   2.894   2.903
  310   1HB   ALA  37          1HB       ALA  37  -1.509   4.786   4.764
  311   2HB   ALA  37          2HB       ALA  37  -1.404   3.037   4.966
  312   3HB   ALA  37          3HB       ALA  37  -2.266   3.716   3.583
  313    H    LYS  38           H        LYS  38   1.700   4.358   1.974
  314    HA   LYS  38           HA       LYS  38   2.431   5.934   0.514
  315   1HB   LYS  38          2HB       LYS  38   0.881   4.300  -0.596
  316   2HB   LYS  38          1HB       LYS  38  -0.369   5.527  -0.492
  317   1HG   LYS  38          2HG       LYS  38   1.070   6.971  -1.930
  318   2HG   LYS  38          1HG       LYS  38   2.162   5.597  -2.109
  319   1HD   LYS  38          2HD       LYS  38  -0.755   5.617  -2.892
  320   2HD   LYS  38          1HD       LYS  38   0.580   5.856  -4.007
  321   1HE   LYS  38          2HE       LYS  38  -0.073   3.587  -4.275
  322   2HE   LYS  38          1HE       LYS  38   1.394   3.543  -3.313
  323   1HZ   LYS  38          1HZ       LYS  38   0.033   3.086  -1.325
  324   2HZ   LYS  38          2HZ       LYS  38  -0.345   2.001  -2.528
  325   3HZ   LYS  38          3HZ       LYS  38  -1.369   3.283  -2.217
  326    H    VAL  39           H        VAL  39   1.308   7.371   2.922
  327    HA   VAL  39           HA       VAL  39   1.067   9.736   1.418
  328    HB   VAL  39           HB       VAL  39  -0.843   9.185   3.767
  329   1HG1  VAL  39          1HG1      VAL  39  -1.970  11.263   3.197
  330   2HG1  VAL  39          2HG1      VAL  39  -0.820  11.542   1.893
  331   3HG1  VAL  39          3HG1      VAL  39  -0.267  11.565   3.567
  332   1HG2  VAL  39          1HG2      VAL  39  -1.511   7.907   1.808
  333   2HG2  VAL  39          2HG2      VAL  39  -1.458   9.367   0.821
  334   3HG2  VAL  39          3HG2      VAL  39  -2.653   9.221   2.109
  335    H    ALA  40           H        ALA  40   3.427   9.803   2.517
  336    HA   ALA  40           HA       ALA  40   3.361   9.547   5.344
  337   1HB   ALA  40          1HB       ALA  40   5.536   8.333   5.211
  338   2HB   ALA  40          2HB       ALA  40   5.322   8.215   3.462
  339   3HB   ALA  40          3HB       ALA  40   4.194   7.403   4.545
  340    H    GLU  41           H        GLU  41   3.923  11.482   5.943
  341    HA   GLU  41           HA       GLU  41   6.080  12.909   5.511
  342   1HB   GLU  41          2HB       GLU  41   5.258  14.809   3.938
  343   2HB   GLU  41          1HB       GLU  41   5.771  13.320   3.182
  344   1HG   GLU  41          2HG       GLU  41   3.916  14.019   1.973
  345   2HG   GLU  41          1HG       GLU  41   3.351  12.704   2.984
  346    H    VAL  42           H        VAL  42   5.407  15.401   5.745
  347    HA   VAL  42           HA       VAL  42   4.193  16.643   6.425
  348    HB   VAL  42           HB       VAL  42   2.758  14.938   8.533
  349   1HG1  VAL  42          1HG1      VAL  42   1.233  16.868   9.037
  350   2HG1  VAL  42          2HG1      VAL  42   2.445  17.947   8.341
  351   3HG1  VAL  42          3HG1      VAL  42   2.807  17.013   9.785
  352   1HG2  VAL  42          1HG2      VAL  42   2.011  14.846   6.215
  353   2HG2  VAL  42          2HG2      VAL  42   1.728  16.586   6.227
  354   3HG2  VAL  42          3HG2      VAL  42   0.761  15.529   7.256
  355    H    VAL  43           H        VAL  43   4.181  16.232   9.805
  356    HA   VAL  43           HA       VAL  43   6.590  17.520   9.839
  357    HB   VAL  43           HB       VAL  43   4.623  17.612  12.160
  358   1HG1  VAL  43          1HG1      VAL  43   7.109  19.306  11.964
  359   2HG1  VAL  43          2HG1      VAL  43   6.764  18.082  13.187
  360   3HG1  VAL  43          3HG1      VAL  43   5.795  19.551  13.113
  361   1HG2  VAL  43          1HG2      VAL  43   4.152  19.891  11.399
  362   2HG2  VAL  43          2HG2      VAL  43   3.867  18.697  10.130
  363   3HG2  VAL  43          3HG2      VAL  43   5.328  19.679  10.107
  364    H    ILE  44           H        ILE  44   7.988  17.359  12.049
  365    HA   ILE  44           HA       ILE  44   8.681  15.133  13.509
  366    HB   ILE  44           HB       ILE  44   8.793  14.188  10.896
  367   1HG1  ILE  44          2HG1      ILE  44   9.216  12.707  12.814
  368   2HG1  ILE  44          1HG1      ILE  44  10.374  12.425  11.534
  369   1HG2  ILE  44          1HG2      ILE  44  10.334  15.778  10.071
  370   2HG2  ILE  44          2HG2      ILE  44  11.140  14.201  10.108
  371   3HG2  ILE  44          3HG2      ILE  44  11.489  15.399  11.346
  372   1HD1  ILE  44          1HD1      ILE  44  11.415  12.296  13.705
  373   2HD1  ILE  44          2HD1      ILE  44  10.863  13.924  14.094
  374   3HD1  ILE  44          3HD1      ILE  44  12.049  13.679  12.812
  375    H    ASP  45           H        ASP  45  10.184  15.499  14.852
  376    HA   ASP  45           HA       ASP  45  11.337  18.115  14.414
  377   1HB   ASP  45          2HB       ASP  45  10.939  16.600  16.946
  378   2HB   ASP  45          1HB       ASP  45  12.042  17.967  16.878
  379    H    ASP  46           H        ASP  46  12.491  14.949  14.551
  380    HA   ASP  46           HA       ASP  46  14.753  14.359  15.275
  381   1HB   ASP  46          2HB       ASP  46  15.855  13.828  13.046
  382   2HB   ASP  46          1HB       ASP  46  14.309  13.079  13.391
  383    H    SER  47           H        SER  47  16.001  15.520  16.298
  384    HA   SER  47           HA       SER  47  16.502  18.155  15.145
  385   1HB   SER  47          2HB       SER  47  15.124  18.074  17.222
  386   2HB   SER  47          1HB       SER  47  16.568  17.568  18.096
  387    HG   SER  47           HG       SER  47  17.422  19.541  17.865
  388    H    LYS  48           H        LYS  48  18.435  16.482  17.835
  389    HA   LYS  48           HA       LYS  48  20.633  17.239  17.914
  390   1HB   LYS  48          2HB       LYS  48  20.066  14.412  17.395
  391   2HB   LYS  48          1HB       LYS  48  21.753  14.892  17.486
  392   1HG   LYS  48          2HG       LYS  48  19.699  15.481  19.611
  393   2HG   LYS  48          1HG       LYS  48  20.813  14.109  19.645
  394   1HD   LYS  48          2HD       LYS  48  22.724  15.679  19.551
  395   2HD   LYS  48          1HD       LYS  48  21.610  17.037  19.586
  396   1HE   LYS  48          2HE       LYS  48  21.914  14.962  21.754
  397   2HE   LYS  48          1HE       LYS  48  22.614  16.578  21.775
  398   1HZ   LYS  48          1HZ       LYS  48  20.599  16.558  23.048
  399   2HZ   LYS  48          2HZ       LYS  48  19.728  15.905  21.779
  400   3HZ   LYS  48          3HZ       LYS  48  20.333  17.475  21.662
  401    H    VAL  49           H        VAL  49  20.413  15.492  14.818
  402    HA   VAL  49           HA       VAL  49  23.050  16.766  14.209
  403    HB   VAL  49           HB       VAL  49  21.965  14.259  12.897
  404   1HG1  VAL  49          1HG1      VAL  49  24.625  15.670  12.747
  405   2HG1  VAL  49          2HG1      VAL  49  23.434  15.526  11.451
  406   3HG1  VAL  49          3HG1      VAL  49  24.293  14.098  12.038
  407   1HG2  VAL  49          1HG2      VAL  49  23.710  13.042  14.120
  408   2HG2  VAL  49          2HG2      VAL  49  22.540  13.778  15.218
  409   3HG2  VAL  49          3HG2      VAL  49  24.123  14.520  14.990
  410    H    ASN  50           H        ASN  50  19.886  16.160  12.915
  411    HA   ASN  50           HA       ASN  50  18.715  17.192  11.324
  412   1HB   ASN  50          2HB       ASN  50  19.059  19.270  12.509
  413   2HB   ASN  50          1HB       ASN  50  20.667  19.452  11.839
  414   1HD2  ASN  50          1HD2      ASN  50  17.719  18.608   9.861
  415   2HD2  ASN  50          2HD2      ASN  50  17.781  20.091   9.028
  416    H    ILE  51           H        ILE  51  21.807  18.556  10.184
  417    HA   ILE  51           HA       ILE  51  21.651  18.206   7.686
  418    HB   ILE  51           HB       ILE  51  23.643  19.094   8.661
  419   1HG1  ILE  51          2HG1      ILE  51  24.415  16.873   6.746
  420   2HG1  ILE  51          1HG1      ILE  51  23.744  18.427   6.273
  421   1HG2  ILE  51          1HG2      ILE  51  25.501  17.709   9.461
  422   2HG2  ILE  51          2HG2      ILE  51  24.489  16.275   9.282
  423   3HG2  ILE  51          3HG2      ILE  51  24.043  17.529  10.438
  424   1HD1  ILE  51          1HD1      ILE  51  25.711  19.550   7.177
  425   2HD1  ILE  51          2HD1      ILE  51  26.150  18.359   5.951
  426   3HD1  ILE  51          3HD1      ILE  51  26.377  17.991   7.661
  427    H    GLU  52           H        GLU  52  22.350  15.299   9.661
  428    HA   GLU  52           HA       GLU  52  22.401  14.026   7.213
  429   1HB   GLU  52          2HB       GLU  52  23.246  11.858   8.123
  430   2HB   GLU  52          1HB       GLU  52  24.228  13.252   8.502
  431   1HG   GLU  52          2HG       GLU  52  24.238  11.978  10.441
  432   2HG   GLU  52          1HG       GLU  52  23.035  13.233  10.747
  433    H    GLU  53           H        GLU  53  20.037  14.474   9.439
  434    HA   GLU  53           HA       GLU  53  18.206  12.486   9.207
  435   1HB   GLU  53          2HB       GLU  53  16.285  13.986   9.239
  436   2HB   GLU  53          1HB       GLU  53  17.567  14.777  10.145
  437   1HG   GLU  53          2HG       GLU  53  18.076  16.198   8.292
  438   2HG   GLU  53          1HG       GLU  53  16.930  15.346   7.258
  439    H    LEU  54           H        LEU  54  19.244  14.623   6.731
  440    HA   LEU  54           HA       LEU  54  17.519  14.028   4.666
  441   1HB   LEU  54          2HB       LEU  54  20.388  14.949   4.544
  442   2HB   LEU  54          1HB       LEU  54  19.404  14.734   3.119
  443    HG   LEU  54           HG       LEU  54  19.477  17.050   3.596
  444   1HD1  LEU  54          1HD1      LEU  54  17.163  17.658   3.917
  445   2HD1  LEU  54          2HD1      LEU  54  16.807  16.023   4.461
  446   3HD1  LEU  54          3HD1      LEU  54  17.360  16.302   2.808
  447   1HD2  LEU  54          1HD2      LEU  54  20.136  17.010   5.945
  448   2HD2  LEU  54          2HD2      LEU  54  18.524  16.450   6.384
  449   3HD2  LEU  54          3HD2      LEU  54  18.739  18.062   5.703
  450    H    LYS  55           H        LYS  55  19.818  11.965   6.123
  451    HA   LYS  55           HA       LYS  55  20.343  10.176   3.812
  452   1HB   LYS  55          2HB       LYS  55  21.902  10.510   5.815
  453   2HB   LYS  55          1HB       LYS  55  20.587   9.932   6.806
  454   1HG   LYS  55          2HG       LYS  55  20.742   7.762   5.498
  455   2HG   LYS  55          1HG       LYS  55  22.239   8.404   4.804
  456   1HD   LYS  55          2HD       LYS  55  22.875   7.101   6.717
  457   2HD   LYS  55          1HD       LYS  55  23.037   8.802   7.173
  458   1HE   LYS  55          2HE       LYS  55  20.695   8.656   8.173
  459   2HE   LYS  55          1HE       LYS  55  20.769   6.931   7.871
  460   1HZ   LYS  55          1HZ       LYS  55  22.376   8.556   9.724
  461   2HZ   LYS  55          2HZ       LYS  55  22.803   6.955   9.323
  462   3HZ   LYS  55          3HZ       LYS  55  21.333   7.271  10.078
  463    H    GLU  56           H        GLU  56  18.177   9.874   6.870
  464    HA   GLU  56           HA       GLU  56  16.958   7.821   5.583
  465   1HB   GLU  56          2HB       GLU  56  16.001   9.675   7.779
  466   2HB   GLU  56          1HB       GLU  56  15.224   8.161   7.353
  467   1HG   GLU  56          2HG       GLU  56  17.984   8.507   8.508
  468   2HG   GLU  56          1HG       GLU  56  16.562   7.884   9.337
  469    H    LYS  57           H        LYS  57  16.125  11.143   5.712
  470    HA   LYS  57           HA       LYS  57  13.737  11.127   4.209
  471   1HB   LYS  57          2HB       LYS  57  15.801  13.329   3.829
  472   2HB   LYS  57          1HB       LYS  57  14.058  13.471   3.660
  473   1HG   LYS  57          2HG       LYS  57  15.570  13.004   6.237
  474   2HG   LYS  57          1HG       LYS  57  14.763  14.486   5.750
  475   1HD   LYS  57          2HD       LYS  57  12.622  13.517   6.018
  476   2HD   LYS  57          1HD       LYS  57  13.286  11.885   6.079
  477   1HE   LYS  57          2HE       LYS  57  12.661  12.534   8.308
  478   2HE   LYS  57          1HE       LYS  57  14.407  12.448   8.209
  479   1HZ   LYS  57          1HZ       LYS  57  14.341  15.017   8.036
  480   2HZ   LYS  57          2HZ       LYS  57  13.904  14.281   9.445
  481   3HZ   LYS  57          3HZ       LYS  57  12.708  14.874   8.472
  482    H    LEU  58           H        LEU  58  16.717  10.747   3.292
  483    HA   LEU  58           HA       LEU  58  16.718  10.677   0.214
  484   1HB   LEU  58          2HB       LEU  58  18.861  10.941   1.700
  485   2HB   LEU  58          1HB       LEU  58  18.596   9.264   2.084
  486    HG   LEU  58           HG       LEU  58  18.782   8.823  -0.426
  487   1HD1  LEU  58          1HD1      LEU  58  19.933  11.605  -0.348
  488   2HD1  LEU  58          2HD1      LEU  58  18.490  11.100  -1.225
  489   3HD1  LEU  58          3HD1      LEU  58  20.066  10.477  -1.691
  490   1HD2  LEU  58          1HD2      LEU  58  21.155   9.863   1.110
  491   2HD2  LEU  58          2HD2      LEU  58  21.230   8.835  -0.317
  492   3HD2  LEU  58          3HD2      LEU  58  20.507   8.224   1.170
  493    H    LYS  59           H        LYS  59  15.795   8.142   2.644
  494    HA   LYS  59           HA       LYS  59  16.007   6.203   0.775
  495   1HB   LYS  59          2HB       LYS  59  14.004   6.453   3.007
  496   2HB   LYS  59          1HB       LYS  59  14.532   4.974   2.230
  497   1HG   LYS  59          2HG       LYS  59  16.235   6.777   3.936
  498   2HG   LYS  59          1HG       LYS  59  15.513   5.256   4.449
  499   1HD   LYS  59          2HD       LYS  59  16.836   4.121   2.681
  500   2HD   LYS  59          1HD       LYS  59  17.621   5.661   2.340
  501   1HE   LYS  59          2HE       LYS  59  18.457   5.790   4.609
  502   2HE   LYS  59          1HE       LYS  59  17.624   4.296   5.026
  503   1HZ   LYS  59          1HZ       LYS  59  19.873   4.577   3.104
  504   2HZ   LYS  59          2HZ       LYS  59  19.034   3.150   3.394
  505   3HZ   LYS  59          3HZ       LYS  59  19.921   3.860   4.628
  506    H    GLY  60           H        GLY  60  12.857   7.702   1.551
  507   1HA   GLY  60          2HA       GLY  60  10.811   7.182   0.425
  508   2HA   GLY  60          1HA       GLY  60  11.730   7.895  -0.883
  509    H    GLU  61           H        GLU  61  12.075   4.604   0.651
  510    HA   GLU  61           HA       GLU  61  12.896   3.298   0.042
  511   1HB   GLU  61          2HB       GLU  61  10.219   2.726  -0.743
  512   2HB   GLU  61          1HB       GLU  61  11.276   1.394  -1.167
  513   1HG   GLU  61          2HG       GLU  61  11.170   2.658   1.561
  514   2HG   GLU  61          1HG       GLU  61  10.341   1.166   1.103
  515    H    VAL  62           H        VAL  62  13.117   1.366  -1.724
  516    HA   VAL  62           HA       VAL  62  14.084   0.538  -3.831
  517    HB   VAL  62           HB       VAL  62  11.974  -0.549  -3.569
  518   1HG1  VAL  62          1HG1      VAL  62   9.874   0.249  -4.549
  519   2HG1  VAL  62          2HG1      VAL  62  10.665   1.767  -4.971
  520   3HG1  VAL  62          3HG1      VAL  62  10.477   1.314  -3.279
  521   1HG2  VAL  62          1HG2      VAL  62  11.374  -1.073  -5.890
  522   2HG2  VAL  62          2HG2      VAL  62  13.118  -1.037  -5.628
  523   3HG2  VAL  62          3HG2      VAL  62  12.320   0.316  -6.429
  524    H    ILE  63           H        ILE  63  15.215   1.464  -5.142
  525    HA   ILE  63           HA       ILE  63  16.372   3.368  -6.546
  526    HB   ILE  63           HB       ILE  63  13.456   3.873  -7.421
  527   1HG1  ILE  63          2HG1      ILE  63  15.437   1.999  -8.752
  528   2HG1  ILE  63          1HG1      ILE  63  14.014   1.499  -7.848
  529   1HG2  ILE  63          1HG2      ILE  63  16.095   4.420  -8.822
  530   2HG2  ILE  63          2HG2      ILE  63  15.083   5.627  -8.025
  531   3HG2  ILE  63          3HG2      ILE  63  14.494   4.794  -9.463
  532   1HD1  ILE  63          1HD1      ILE  63  14.027   3.075 -10.414
  533   2HD1  ILE  63          2HD1      ILE  63  12.587   2.595  -9.517
  534   3HD1  ILE  63          3HD1      ILE  63  13.629   1.365 -10.239
  535    H    GLU  64           H        GLU  64  15.147   3.359  -4.338
  536    HA   GLU  64           HA       GLU  64  14.816   5.365  -2.151
  537   1HB   GLU  64          2HB       GLU  64  16.403   3.279  -2.094
  538   2HB   GLU  64          1HB       GLU  64  17.595   4.360  -2.774
  539   1HG   GLU  64          2HG       GLU  64  17.307   5.810  -0.790
  540   2HG   GLU  64          1HG       GLU  64  16.199   4.570  -0.154
  541    H    GLU  65           H        GLU  65  14.429   7.302  -2.737
  542    HA   GLU  65           HA       GLU  65  16.029   8.474  -4.853
  543   1HB   GLU  65          2HB       GLU  65  13.416   9.410  -3.760
  544   2HB   GLU  65          1HB       GLU  65  14.294  10.181  -5.063
  545   1HG   GLU  65          2HG       GLU  65  14.129   8.016  -6.307
  546   2HG   GLU  65          1HG       GLU  65  13.058   7.454  -5.029
  547    H    LYS  66           H        LYS  66  14.391  10.476  -2.477
  548    HA   LYS  66           HA       LYS  66  16.681  11.469  -1.508
  549   1HB   LYS  66          2HB       LYS  66  16.552  13.868  -2.675
  550   2HB   LYS  66          1HB       LYS  66  17.415  12.535  -3.395
  551   1HG   LYS  66          2HG       LYS  66  16.198  13.689  -5.119
  552   2HG   LYS  66          1HG       LYS  66  15.443  12.125  -4.871
  553   1HD   LYS  66          2HD       LYS  66  14.267  14.277  -3.267
  554   2HD   LYS  66          1HD       LYS  66  14.140  14.544  -5.004
  555   1HE   LYS  66          2HE       LYS  66  13.254  12.046  -3.560
  556   2HE   LYS  66          1HE       LYS  66  12.188  13.373  -4.025
  557   1HZ   LYS  66          1HZ       LYS  66  13.800  11.781  -5.949
  558   2HZ   LYS  66          2HZ       LYS  66  12.597  12.884  -6.347
  559   3HZ   LYS  66          3HZ       LYS  66  12.213  11.441  -5.574
  560    H    GLU  67           H        GLU  67  15.984  14.172  -0.948
  561    HA   GLU  67           HA       GLU  67  13.650  14.011   0.827
  562   1HB   GLU  67          2HB       GLU  67  15.644  15.095   1.656
  563   2HB   GLU  67          1HB       GLU  67  15.661  16.205   0.302
  564   1HG   GLU  67          2HG       GLU  67  14.855  17.338   2.259
  565   2HG   GLU  67          1HG       GLU  67  13.546  17.187   1.098
  566    H    ILE  68           H        ILE  68  14.491  16.924  -1.006
  567    HA   ILE  68           HA       ILE  68  13.287  18.439  -1.902
  568    HB   ILE  68           HB       ILE  68  12.447  16.143  -3.694
  569   1HG1  ILE  68          2HG1      ILE  68  14.871  16.434  -3.600
  570   2HG1  ILE  68          1HG1      ILE  68  14.256  16.956  -5.162
  571   1HG2  ILE  68          1HG2      ILE  68  10.952  18.046  -3.989
  572   2HG2  ILE  68          2HG2      ILE  68  11.998  17.854  -5.398
  573   3HG2  ILE  68          3HG2      ILE  68  12.334  19.119  -4.214
  574   1HD1  ILE  68          1HD1      ILE  68  15.952  18.464  -4.391
  575   2HD1  ILE  68          2HD1      ILE  68  15.099  18.722  -2.874
  576   3HD1  ILE  68          3HD1      ILE  68  14.396  19.293  -4.391
  577    H    THR  69           H        THR  69  11.958  19.234  -0.501
  578    HA   THR  69           HA       THR  69   9.496  18.673  -1.153
  579    HB   THR  69           HB       THR  69   8.718  18.754   1.587
  580    HG1  THR  69           HG1      THR  69  10.689  16.755   1.658
  581   1HG2  THR  69          1HG2      THR  69   7.673  17.292  -0.075
  582   2HG2  THR  69          2HG2      THR  69   8.129  16.397   1.367
  583   3HG2  THR  69          3HG2      THR  69   9.119  16.279  -0.101
  584    H    LEU  70           H        LEU  70   9.170  20.808  -1.812
  585    HA   LEU  70           HA       LEU  70   9.975  23.174  -1.077
  586   1HB   LEU  70          2HB       LEU  70   8.547  22.661  -2.965
  587   2HB   LEU  70          1HB       LEU  70   7.165  22.548  -1.900
  588    HG   LEU  70           HG       LEU  70   7.460  24.964  -1.339
  589   1HD1  LEU  70          1HD1      LEU  70   9.817  25.212  -1.782
  590   2HD1  LEU  70          2HD1      LEU  70   8.886  26.332  -2.780
  591   3HD1  LEU  70          3HD1      LEU  70   9.553  24.861  -3.489
  592   1HD2  LEU  70          1HD2      LEU  70   7.149  24.336  -4.272
  593   2HD2  LEU  70          2HD2      LEU  70   6.621  25.816  -3.474
  594   3HD2  LEU  70          3HD2      LEU  70   5.875  24.273  -3.056
  595    H    GLN  71           H        GLN  71   6.751  23.492  -0.269
  596    HA   GLN  71           HA       GLN  71   7.300  24.277   2.648
  597   1HB   GLN  71          2HB       GLN  71   7.728  26.054   0.869
  598   2HB   GLN  71          1HB       GLN  71   6.010  25.928   0.544
  599   1HG   GLN  71          2HG       GLN  71   5.471  26.621   2.772
  600   2HG   GLN  71          1HG       GLN  71   7.160  26.524   3.264
  601   1HE2  GLN  71          1HE2      GLN  71   5.419  28.834   3.426
  602   2HE2  GLN  71          2HE2      GLN  71   6.160  30.038   2.446
  603    H    GLU  72           H        GLU  72   6.075  24.151   4.034
  604    HA   GLU  72           HA       GLU  72   3.663  22.771   4.124
  605   1HB   GLU  72          2HB       GLU  72   5.195  22.981   5.928
  606   2HB   GLU  72          1HB       GLU  72   5.172  24.726   5.829
  607   1HG   GLU  72          2HG       GLU  72   3.912  23.923   7.749
  608   2HG   GLU  72          1HG       GLU  72   2.880  24.757   6.598
  609    H    LEU  73           H        LEU  73   2.508  24.370   1.946
  610    HA   LEU  73           HA       LEU  73   1.267  26.478   3.322
  611   1HB   LEU  73          2HB       LEU  73   1.480  25.612   0.437
  612   2HB   LEU  73          1HB       LEU  73   0.674  27.051   1.016
  613    HG   LEU  73           HG       LEU  73   3.645  26.528   1.150
  614   1HD1  LEU  73          1HD1      LEU  73   3.782  28.297  -0.529
  615   2HD1  LEU  73          2HD1      LEU  73   2.021  28.390  -0.578
  616   3HD1  LEU  73          3HD1      LEU  73   2.844  26.927  -1.120
  617   1HD2  LEU  73          1HD2      LEU  73   2.883  27.896   3.011
  618   2HD2  LEU  73          2HD2      LEU  73   2.016  28.951   1.895
  619   3HD2  LEU  73          3HD2      LEU  73   3.779  28.874   1.847
  620    H    ILE  74           H        ILE  74   0.635  23.579   3.820
  621    HA   ILE  74           HA       ILE  74  -1.693  23.425   2.123
  622    HB   ILE  74           HB       ILE  74  -0.215  21.685   1.376
  623   1HG1  ILE  74          2HG1      ILE  74  -1.577  19.606   1.723
  624   2HG1  ILE  74          1HG1      ILE  74  -2.517  20.488   2.920
  625   1HG2  ILE  74          1HG2      ILE  74   0.565  19.824   2.769
  626   2HG2  ILE  74          2HG2      ILE  74  -0.102  20.643   4.184
  627   3HG2  ILE  74          3HG2      ILE  74   1.199  21.395   3.265
  628   1HD1  ILE  74          1HD1      ILE  74  -3.183  22.091   1.189
  629   2HD1  ILE  74          2HD1      ILE  74  -3.664  20.443   0.795
  630   3HD1  ILE  74          3HD1      ILE  74  -2.266  21.169   0.001
  Start of MODEL    5
    1    H    SER   1           H        SER   1   9.567  20.593  13.165
    2    HA   SER   1           HA       SER   1   7.874  19.176  12.973
    3   1HB   SER   1          2HB       SER   1   5.918  20.496  13.210
    4   2HB   SER   1          1HB       SER   1   6.374  21.558  11.885
    5    HG   SER   1           HG       SER   1   4.643  20.124  11.383
    6    H    LYS   2           H        LYS   2   8.031  18.180   9.853
    7    HA   LYS   2           HA       LYS   2   9.125  20.254   8.515
    8   1HB   LYS   2          2HB       LYS   2   9.953  17.342   8.589
    9   2HB   LYS   2          1HB       LYS   2  10.447  18.509   7.386
   10   1HG   LYS   2          2HG       LYS   2  11.461  19.774   9.406
   11   2HG   LYS   2          1HG       LYS   2  11.316  18.220  10.232
   12   1HD   LYS   2          2HD       LYS   2  12.841  18.776   7.670
   13   2HD   LYS   2          1HD       LYS   2  13.530  18.379   9.239
   14   1HE   LYS   2          2HE       LYS   2  12.527  16.165   9.128
   15   2HE   LYS   2          1HE       LYS   2  11.789  16.552   7.573
   16   1HZ   LYS   2          1HZ       LYS   2  13.770  15.276   7.200
   17   2HZ   LYS   2          2HZ       LYS   2  14.614  16.184   8.272
   18   3HZ   LYS   2          3HZ       LYS   2  14.195  16.863   6.763
   19    H    TRP   3           H        TRP   3   8.650  19.338   6.128
   20    HA   TRP   3           HA       TRP   3   6.331  17.420   5.741
   21   1HB   TRP   3          2HB       TRP   3   6.047  20.166   5.515
   22   2HB   TRP   3          1HB       TRP   3   6.955  19.750   4.069
   23    HD1  TRP   3           HD1      TRP   3   3.534  19.718   5.505
   24    HE1  TRP   3           HE1      TRP   3   1.865  18.596   3.932
   25    HE3  TRP   3           HE3      TRP   3   6.827  17.646   2.164
   26    HZ2  TRP   3           HZ2      TRP   3   1.914  17.042   1.562
   27    HZ3  TRP   3           HZ3      TRP   3   5.923  16.354   0.278
   28    HH2  TRP   3           HH2      TRP   3   3.520  16.058  -0.015
   29    H    ILE   4           H        ILE   4   7.204  15.590   5.203
   30    HA   ILE   4           HA       ILE   4   8.912  15.987   2.966
   31    HB   ILE   4           HB       ILE   4  10.337  14.062   3.691
   32   1HG1  ILE   4          2HG1      ILE   4   8.914  14.355   6.358
   33   2HG1  ILE   4          1HG1      ILE   4   8.805  13.008   5.227
   34   1HG2  ILE   4          1HG2      ILE   4  10.381  16.423   5.553
   35   2HG2  ILE   4          2HG2      ILE   4  11.200  16.280   3.996
   36   3HG2  ILE   4          3HG2      ILE   4  11.701  15.271   5.352
   37   1HD1  ILE   4          1HD1      ILE   4  11.101  12.422   5.617
   38   2HD1  ILE   4          2HD1      ILE   4  10.228  12.505   7.145
   39   3HD1  ILE   4          3HD1      ILE   4  11.306  13.819   6.672
   40    H    LYS   5           H        LYS   5   9.139  12.860   2.692
   41    HA   LYS   5           HA       LYS   5   6.398  12.430   2.081
   42   1HB   LYS   5          2HB       LYS   5   7.357  13.246  -0.035
   43   2HB   LYS   5          1HB       LYS   5   8.687  12.104   0.113
   44   1HG   LYS   5          2HG       LYS   5   7.039  10.249  -0.016
   45   2HG   LYS   5          1HG       LYS   5   5.783  11.452  -0.329
   46   1HD   LYS   5          2HD       LYS   5   6.956  12.167  -2.336
   47   2HD   LYS   5          1HD       LYS   5   8.247  11.011  -1.998
   48   1HE   LYS   5          2HE       LYS   5   6.626   9.170  -2.178
   49   2HE   LYS   5          1HE       LYS   5   5.365  10.332  -2.580
   50   1HZ   LYS   5          1HZ       LYS   5   6.693  10.956  -4.546
   51   2HZ   LYS   5          2HZ       LYS   5   6.256   9.339  -4.585
   52   3HZ   LYS   5          3HZ       LYS   5   7.822   9.776  -4.143
   53    H    PHE   6           H        PHE   6   6.128  10.211   3.362
   54    HA   PHE   6           HA       PHE   6   7.765   8.837   4.238
   55   1HB   PHE   6          2HB       PHE   6   5.341   9.271   4.402
   56   2HB   PHE   6          1HB       PHE   6   5.137   8.020   3.189
   57    HD1  PHE   6           HD1      PHE   6   3.773   6.739   4.723
   58    HD2  PHE   6           HD2      PHE   6   7.807   7.708   5.745
   59    HE1  PHE   6           HE1      PHE   6   3.730   5.083   6.535
   60    HE2  PHE   6           HE2      PHE   6   7.752   6.059   7.533
   61    HZ   PHE   6           HZ       PHE   6   5.717   4.743   7.944
   62    H    THR   7           H        THR   7   6.248   6.553   3.190
   63    HA   THR   7           HA       THR   7   7.403   5.352   0.683
   64    HB   THR   7           HB       THR   7   6.592   4.065   3.307
   65    HG1  THR   7           HG1      THR   7   8.958   5.345   2.855
   66   1HG2  THR   7          1HG2      THR   7   6.537   2.665   1.306
   67   2HG2  THR   7          2HG2      THR   7   7.801   2.118   2.412
   68   3HG2  THR   7          3HG2      THR   7   8.218   3.058   0.976
   69    H    THR   8           H        THR   8   5.693   4.487  -0.662
   70    HA   THR   8           HA       THR   8   3.122   4.997   0.474
   71    HB   THR   8           HB       THR   8   2.557   5.865  -1.918
   72    HG1  THR   8           HG1      THR   8   4.623   5.028  -2.748
   73   1HG2  THR   8          1HG2      THR   8   2.774   7.389   0.005
   74   2HG2  THR   8          2HG2      THR   8   3.426   8.124  -1.451
   75   3HG2  THR   8          3HG2      THR   8   4.515   7.454  -0.230
   76    H    ASN   9           H        ASN   9   2.380   2.668   0.309
   77    HA   ASN   9           HA       ASN   9   2.765   1.139  -2.197
   78   1HB   ASN   9          2HB       ASN   9   4.968   1.050  -1.126
   79   2HB   ASN   9          1HB       ASN   9   4.225   0.422   0.332
   80   1HD2  ASN   9          1HD2      ASN   9   3.445  -0.516  -3.033
   81   2HD2  ASN   9          2HD2      ASN   9   3.985  -2.123  -2.837
   82    H    LEU  10           H        LEU  10   1.848   1.304   1.029
   83    HA   LEU  10           HA       LEU  10  -0.311  -0.653   1.330
   84   1HB   LEU  10          2HB       LEU  10   2.439  -1.719   2.037
   85   2HB   LEU  10          1HB       LEU  10   0.914  -2.423   2.504
   86    HG   LEU  10           HG       LEU  10   1.960  -2.252  -0.328
   87   1HD1  LEU  10          1HD1      LEU  10   1.832  -4.574   1.597
   88   2HD1  LEU  10          2HD1      LEU  10   3.298  -3.744   1.078
   89   3HD1  LEU  10          3HD1      LEU  10   2.339  -4.656  -0.090
   90   1HD2  LEU  10          1HD2      LEU  10   0.143  -3.808  -0.827
   91   2HD2  LEU  10          2HD2      LEU  10  -0.484  -2.289  -0.191
   92   3HD2  LEU  10          3HD2      LEU  10  -0.407  -3.715   0.846
   93    H    THR  11           H        THR  11   1.962  -1.191   3.700
   94    HA   THR  11           HA       THR  11   1.175   0.860   5.492
   95    HB   THR  11           HB       THR  11  -0.474  -0.898   5.893
   96    HG1  THR  11           HG1      THR  11   1.466  -1.475   7.811
   97   1HG2  THR  11          1HG2      THR  11   1.811  -2.894   5.898
   98   2HG2  THR  11          2HG2      THR  11   0.471  -2.845   4.752
   99   3HG2  THR  11          3HG2      THR  11   0.175  -3.245   6.445
  100    HA   PRO  12           HA       PRO  12   5.230   0.080   4.341
  101   1HB   PRO  12          2HB       PRO  12   5.884   2.483   5.983
  102   2HB   PRO  12          1HB       PRO  12   6.331   2.110   4.314
  103   1HG   PRO  12          2HG       PRO  12   4.370   3.839   4.823
  104   2HG   PRO  12          1HG       PRO  12   4.245   2.687   3.483
  105   1HD   PRO  12          2HD       PRO  12   3.007   2.542   6.211
  106   2HD   PRO  12          1HD       PRO  12   2.289   2.205   4.615
  107    H    GLU  13           H        GLU  13   7.531   0.235   5.695
  108    HA   GLU  13           HA       GLU  13   7.049  -1.340   8.145
  109   1HB   GLU  13          2HB       GLU  13   8.326  -2.385   6.071
  110   2HB   GLU  13          1HB       GLU  13   9.553  -1.187   6.419
  111   1HG   GLU  13          2HG       GLU  13   9.889  -2.218   8.661
  112   2HG   GLU  13          1HG       GLU  13   8.647  -3.395   8.266
  113    H    GLU  14           H        GLU  14   9.830  -0.664   9.000
  114    HA   GLU  14           HA       GLU  14   9.388   1.948  10.002
  115   1HB   GLU  14          2HB       GLU  14   8.728  -0.387  11.820
  116   2HB   GLU  14          1HB       GLU  14   8.893   1.289  12.297
  117   1HG   GLU  14          2HG       GLU  14   6.896   1.847  11.006
  118   2HG   GLU  14          1HG       GLU  14   6.739   0.160  10.524
  119    H    ALA  15           H        ALA  15  11.642   0.319   8.739
  120    HA   ALA  15           HA       ALA  15  13.050   0.460  11.171
  121   1HB   ALA  15          1HB       ALA  15  13.940  -0.941   8.604
  122   2HB   ALA  15          2HB       ALA  15  13.328  -1.779  10.030
  123   3HB   ALA  15          3HB       ALA  15  14.865  -0.919  10.103
  124    H    LYS  16           H        LYS  16  12.137   2.239   8.788
  125    HA   LYS  16           HA       LYS  16  14.486   3.908   8.896
  126   1HB   LYS  16          2HB       LYS  16  13.019   3.879   6.834
  127   2HB   LYS  16          1HB       LYS  16  11.725   4.578   7.794
  128   1HG   LYS  16          2HG       LYS  16  13.042   6.593   8.148
  129   2HG   LYS  16          1HG       LYS  16  14.386   5.889   7.247
  130   1HD   LYS  16          2HD       LYS  16  12.927   5.756   5.244
  131   2HD   LYS  16          1HD       LYS  16  11.643   6.546   6.160
  132   1HE   LYS  16          2HE       LYS  16  12.973   8.540   6.407
  133   2HE   LYS  16          1HE       LYS  16  14.371   7.744   5.688
  134   1HZ   LYS  16          1HZ       LYS  16  13.222   7.629   3.589
  135   2HZ   LYS  16          2HZ       LYS  16  13.144   9.227   4.104
  136   3HZ   LYS  16          3HZ       LYS  16  11.817   8.182   4.242
  137    H    ILE  17           H        ILE  17  10.945   4.481   9.873
  138    HA   ILE  17           HA       ILE  17  10.961   6.039  12.037
  139    HB   ILE  17           HB       ILE  17   9.755   3.287  11.948
  140   1HG1  ILE  17          2HG1      ILE  17   9.107   4.338   9.854
  141   2HG1  ILE  17          1HG1      ILE  17   7.738   4.371  10.950
  142   1HG2  ILE  17          1HG2      ILE  17   9.584   4.391  14.104
  143   2HG2  ILE  17          2HG2      ILE  17   7.999   4.284  13.342
  144   3HG2  ILE  17          3HG2      ILE  17   8.874   5.815  13.342
  145   1HD1  ILE  17          1HD1      ILE  17   8.229   6.733  11.448
  146   2HD1  ILE  17          2HD1      ILE  17   7.900   6.446   9.743
  147   3HD1  ILE  17          3HD1      ILE  17   9.560   6.676  10.289
  148    H    VAL  18           H        VAL  18  11.958   2.631  12.367
  149    HA   VAL  18           HA       VAL  18  12.913   3.455  14.981
  150    HB   VAL  18           HB       VAL  18  12.719   0.658  13.767
  151   1HG1  VAL  18          1HG1      VAL  18  13.041  -0.161  16.034
  152   2HG1  VAL  18          2HG1      VAL  18  13.182   1.486  16.630
  153   3HG1  VAL  18          3HG1      VAL  18  14.410   0.837  15.543
  154   1HG2  VAL  18          1HG2      VAL  18  10.889   2.023  15.740
  155   2HG2  VAL  18          2HG2      VAL  18  10.784   0.334  15.246
  156   3HG2  VAL  18          3HG2      VAL  18  10.501   1.615  14.068
  157    H    GLN  19           H        GLN  19  15.074   4.065  15.183
  158    HA   GLN  19           HA       GLN  19  16.857   3.893  15.242
  159   1HB   GLN  19          2HB       GLN  19  17.076   2.200  12.767
  160   2HB   GLN  19          1HB       GLN  19  18.489   3.151  13.163
  161   1HG   GLN  19          2HG       GLN  19  18.705   0.864  13.926
  162   2HG   GLN  19          1HG       GLN  19  18.685   1.973  15.289
  163   1HE2  GLN  19          1HE2      GLN  19  16.968  -0.444  13.546
  164   2HE2  GLN  19          2HE2      GLN  19  15.812  -0.818  14.755
  165    H    TYR  20           H        TYR  20  16.174   4.677  11.799
  166    HA   TYR  20           HA       TYR  20  17.716   6.926  12.026
  167   1HB   TYR  20          2HB       TYR  20  15.499   6.406  10.069
  168   2HB   TYR  20          1HB       TYR  20  16.473   7.861  10.026
  169    HD1  TYR  20           HD1      TYR  20  19.181   7.084  10.292
  170    HD2  TYR  20           HD2      TYR  20  16.039   4.932   8.404
  171    HE1  TYR  20           HE1      TYR  20  20.820   5.965   8.842
  172    HE2  TYR  20           HE2      TYR  20  17.671   3.793   6.969
  173    HH   TYR  20           HH       TYR  20  20.913   3.793   7.584
  174    H    GLU  21           H        GLU  21  14.027   7.545  11.542
  175    HA   GLU  21           HA       GLU  21  13.927   9.754  12.228
  176   1HB   GLU  21          2HB       GLU  21  11.897   7.771  13.257
  177   2HB   GLU  21          1HB       GLU  21  11.551   9.452  12.926
  178   1HG   GLU  21          2HG       GLU  21  12.236   7.274  10.961
  179   2HG   GLU  21          1HG       GLU  21  10.739   8.178  11.113
  180    H    LEU  22           H        LEU  22  14.544   7.364  14.190
  181    HA   LEU  22           HA       LEU  22  13.794   7.828  17.254
  182   1HB   LEU  22          2HB       LEU  22  13.443   5.479  15.881
  183   2HB   LEU  22          1HB       LEU  22  15.191   5.592  15.998
  184    HG   LEU  22           HG       LEU  22  14.992   5.789  18.466
  185   1HD1  LEU  22          1HD1      LEU  22  12.862   5.206  19.530
  186   2HD1  LEU  22          2HD1      LEU  22  12.074   5.241  17.952
  187   3HD1  LEU  22          3HD1      LEU  22  12.755   6.717  18.632
  188   1HD2  LEU  22          1HD2      LEU  22  13.666   3.373  17.268
  189   2HD2  LEU  22          2HD2      LEU  22  14.414   3.451  18.865
  190   3HD2  LEU  22          3HD2      LEU  22  15.405   3.624  17.412
  191    H    SER  23           H        SER  23  16.825   7.548  15.575
  192    HA   SER  23           HA       SER  23  18.006   7.906  17.314
  193   1HB   SER  23          2HB       SER  23  18.883   8.182  15.136
  194   2HB   SER  23          1HB       SER  23  18.302   9.837  15.027
  195    HG   SER  23           HG       SER  23  20.586   8.820  16.130
  196    H    THR  24           H        THR  24  15.895  10.744  16.510
  197    HA   THR  24           HA       THR  24  16.954  12.290  18.731
  198    HB   THR  24           HB       THR  24  15.849  14.273  17.608
  199    HG1  THR  24           HG1      THR  24  15.385  13.960  15.420
  200   1HG2  THR  24          1HG2      THR  24  17.563  14.458  15.868
  201   2HG2  THR  24          2HG2      THR  24  17.868  12.726  15.981
  202   3HG2  THR  24          3HG2      THR  24  18.240  13.775  17.348
  203    H    ARG  25           H        ARG  25  15.334  10.209  18.955
  204    HA   ARG  25           HA       ARG  25  12.744   9.935  19.346
  205   1HB   ARG  25          2HB       ARG  25  13.147   8.780  21.596
  206   2HB   ARG  25          1HB       ARG  25  13.996   8.195  20.179
  207   1HG   ARG  25          2HG       ARG  25  16.006   9.410  20.849
  208   2HG   ARG  25          1HG       ARG  25  15.186  10.015  22.278
  209   1HD   ARG  25          2HD       ARG  25  15.663   7.113  21.660
  210   2HD   ARG  25          1HD       ARG  25  16.671   8.112  22.710
  211    HE   ARG  25           HE       ARG  25  13.913   8.112  23.462
  212   1HH1  ARG  25          1HH1      ARG  25  16.940   6.315  23.742
  213   2HH1  ARG  25          2HH1      ARG  25  16.554   5.573  25.220
  214   1HH2  ARG  25          1HH2      ARG  25  13.372   7.134  25.509
  215   2HH2  ARG  25          2HH2      ARG  25  14.461   6.053  26.262
  216    H    ASP  26           H        ASP  26  13.850  10.940  22.513
  217    HA   ASP  26           HA       ASP  26  12.185  12.199  23.907
  218   1HB   ASP  26          2HB       ASP  26  14.466  13.940  22.940
  219   2HB   ASP  26          1HB       ASP  26  13.437  14.349  24.292
  220    H    GLU  27           H        GLU  27  13.274  14.853  21.691
  221    HA   GLU  27           HA       GLU  27  11.114  16.425  21.113
  222   1HB   GLU  27          2HB       GLU  27  13.574  15.499  19.755
  223   2HB   GLU  27          1HB       GLU  27  12.632  16.971  19.481
  224   1HG   GLU  27          2HG       GLU  27  13.066  17.717  21.769
  225   2HG   GLU  27          1HG       GLU  27  13.981  16.272  22.115
  226    H    PHE  28           H        PHE  28  12.374  13.991  19.057
  227    HA   PHE  28           HA       PHE  28  10.253  14.061  17.352
  228   1HB   PHE  28          2HB       PHE  28  12.127  12.855  16.510
  229   2HB   PHE  28          1HB       PHE  28  11.981  11.617  17.756
  230    HD1  PHE  28           HD1      PHE  28  10.062  13.058  14.897
  231    HD2  PHE  28           HD2      PHE  28  10.959   9.614  17.229
  232    HE1  PHE  28           HE1      PHE  28   8.699  11.676  13.381
  233    HE2  PHE  28           HE2      PHE  28   9.604   8.228  15.717
  234    HZ   PHE  28           HZ       PHE  28   8.469   9.258  13.789
  235    H    TYR  29           H        TYR  29   8.260  14.097  17.975
  236    HA   TYR  29           HA       TYR  29   7.070  11.637  18.975
  237   1HB   TYR  29          2HB       TYR  29   7.200  13.129  20.884
  238   2HB   TYR  29          1HB       TYR  29   6.455  14.430  19.970
  239    HD1  TYR  29           HD1      TYR  29   5.805  11.043  21.303
  240    HD2  TYR  29           HD2      TYR  29   4.141  14.717  20.002
  241    HE1  TYR  29           HE1      TYR  29   3.612  10.329  22.136
  242    HE2  TYR  29           HE2      TYR  29   1.940  14.021  20.823
  243    HH   TYR  29           HH       TYR  29   1.575  11.210  22.797
  244    H    ARG  30           H        ARG  30   6.197  14.786  17.791
  245    HA   ARG  30           HA       ARG  30   3.962  14.254  16.597
  246   1HB   ARG  30          2HB       ARG  30   5.050  16.467  16.573
  247   2HB   ARG  30          1HB       ARG  30   5.942  15.979  15.138
  248   1HG   ARG  30          2HG       ARG  30   4.183  17.242  14.307
  249   2HG   ARG  30          1HG       ARG  30   3.673  15.571  14.057
  250   1HD   ARG  30          2HD       ARG  30   2.808  17.387  16.313
  251   2HD   ARG  30          1HD       ARG  30   1.860  17.013  14.885
  252    HE   ARG  30           HE       ARG  30   2.376  14.578  16.138
  253   1HH1  ARG  30          1HH1      ARG  30   0.675  17.594  16.873
  254   2HH1  ARG  30          2HH1      ARG  30  -0.397  16.883  17.981
  255   1HH2  ARG  30          1HH2      ARG  30   0.893  13.588  17.668
  256   2HH2  ARG  30          2HH2      ARG  30  -0.250  14.577  18.448
  257    H    VAL  31           H        VAL  31   3.282  13.056  14.624
  258    HA   VAL  31           HA       VAL  31   5.226  11.949  12.568
  259    HB   VAL  31           HB       VAL  31   2.937  10.470  13.876
  260   1HG1  VAL  31          1HG1      VAL  31   3.512   9.859  11.593
  261   2HG1  VAL  31          2HG1      VAL  31   3.853   8.550  12.721
  262   3HG1  VAL  31          3HG1      VAL  31   5.177   9.529  12.085
  263   1HG2  VAL  31          1HG2      VAL  31   4.572   9.047  15.014
  264   2HG2  VAL  31          2HG2      VAL  31   4.679  10.716  15.574
  265   3HG2  VAL  31          3HG2      VAL  31   5.877  10.085  14.445
  266    H    PHE  32           H        PHE  32   1.779  11.521  12.830
  267    HA   PHE  32           HA       PHE  32   0.240  11.645  11.248
  268   1HB   PHE  32          2HB       PHE  32   1.341  14.429  11.104
  269   2HB   PHE  32          1HB       PHE  32  -0.031  13.929  10.125
  270    HD1  PHE  32           HD1      PHE  32   1.109  14.866  13.433
  271    HD2  PHE  32           HD2      PHE  32  -2.124  13.247  11.200
  272    HE1  PHE  32           HE1      PHE  32  -0.419  15.330  15.301
  273    HE2  PHE  32           HE2      PHE  32  -3.656  13.709  13.064
  274    HZ   PHE  32           HZ       PHE  32  -2.802  14.754  15.120
  275    H    ILE  33           H        ILE  33   0.847  10.057   9.902
  276    HA   ILE  33           HA       ILE  33   1.759  10.986   7.266
  277    HB   ILE  33           HB       ILE  33   2.991   8.972   6.830
  278   1HG1  ILE  33          2HG1      ILE  33   1.584   7.312   8.038
  279   2HG1  ILE  33          1HG1      ILE  33   3.288   7.084   8.372
  280   1HG2  ILE  33          1HG2      ILE  33   3.818   9.970   9.531
  281   2HG2  ILE  33          2HG2      ILE  33   4.267  10.650   7.974
  282   3HG2  ILE  33          3HG2      ILE  33   4.833   9.039   8.429
  283   1HD1  ILE  33          1HD1      ILE  33   2.974   8.123  10.572
  284   2HD1  ILE  33          2HD1      ILE  33   1.927   6.724  10.343
  285   3HD1  ILE  33          3HD1      ILE  33   1.261   8.348  10.212
  286    H    ASN  34           H        ASN  34   0.804   9.486   5.361
  287    HA   ASN  34           HA       ASN  34  -1.604   8.106   6.203
  288   1HB   ASN  34          2HB       ASN  34  -0.443   8.554   3.453
  289   2HB   ASN  34          1HB       ASN  34  -1.869   7.712   3.894
  290   1HD2  ASN  34          1HD2      ASN  34  -1.233  10.866   5.397
  291   2HD2  ASN  34          2HD2      ASN  34  -2.454  11.635   4.518
  292    HA   PRO  35           HA       PRO  35   1.210   4.669   5.900
  293   1HB   PRO  35          2HB       PRO  35   0.221   3.244   7.959
  294   2HB   PRO  35          1HB       PRO  35   1.288   4.622   8.232
  295   1HG   PRO  35          2HG       PRO  35  -1.600   4.372   8.732
  296   2HG   PRO  35          1HG       PRO  35  -0.440   5.512   9.426
  297   1HD   PRO  35          2HD       PRO  35  -2.293   5.924   7.240
  298   2HD   PRO  35          1HD       PRO  35  -1.196   7.099   7.995
  299    H    TYR  36           H        TYR  36  -1.264   5.192   4.379
  300    HA   TYR  36           HA       TYR  36  -2.300   2.554   4.211
  301   1HB   TYR  36          2HB       TYR  36  -3.753   3.694   5.915
  302   2HB   TYR  36          1HB       TYR  36  -4.102   4.944   4.739
  303    HD1  TYR  36           HD1      TYR  36  -4.746   1.488   5.735
  304    HD2  TYR  36           HD2      TYR  36  -5.671   4.527   2.918
  305    HE1  TYR  36           HE1      TYR  36  -6.675   0.184   4.963
  306    HE2  TYR  36           HE2      TYR  36  -7.603   3.227   2.140
  307    HH   TYR  36           HH       TYR  36  -8.206   0.821   2.102
  308    H    ALA  37           H        ALA  37  -2.772   2.036   2.318
  309    HA   ALA  37           HA       ALA  37  -2.488   1.995   0.120
  310   1HB   ALA  37          1HB       ALA  37  -4.747   3.947   0.239
  311   2HB   ALA  37          2HB       ALA  37  -4.882   2.218   0.559
  312   3HB   ALA  37          3HB       ALA  37  -4.395   2.786  -1.040
  313    H    LYS  38           H        LYS  38  -0.382   3.127   0.362
  314    HA   LYS  38           HA       LYS  38   1.257   4.481  -0.732
  315   1HB   LYS  38          2HB       LYS  38   1.034   4.443  -3.116
  316   2HB   LYS  38          1HB       LYS  38   0.501   2.893  -2.485
  317   1HG   LYS  38          2HG       LYS  38  -1.849   3.686  -2.704
  318   2HG   LYS  38          1HG       LYS  38  -1.233   5.149  -3.450
  319   1HD   LYS  38          2HD       LYS  38  -0.265   3.825  -5.259
  320   2HD   LYS  38          1HD       LYS  38  -0.874   2.350  -4.507
  321   1HE   LYS  38          2HE       LYS  38  -2.547   4.653  -5.520
  322   2HE   LYS  38          1HE       LYS  38  -2.364   3.094  -6.312
  323   1HZ   LYS  38          1HZ       LYS  38  -3.371   2.068  -4.312
  324   2HZ   LYS  38          2HZ       LYS  38  -4.412   3.112  -5.095
  325   3HZ   LYS  38          3HZ       LYS  38  -3.665   3.601  -3.678
  326    H    VAL  39           H        VAL  39  -0.808   6.387   0.658
  327    HA   VAL  39           HA       VAL  39   0.423   8.465  -0.820
  328    HB   VAL  39           HB       VAL  39  -2.212   8.502   0.740
  329   1HG1  VAL  39          1HG1      VAL  39  -1.094  10.650   0.821
  330   2HG1  VAL  39          2HG1      VAL  39  -2.527  10.754  -0.199
  331   3HG1  VAL  39          3HG1      VAL  39  -0.926  10.655  -0.933
  332   1HG2  VAL  39          1HG2      VAL  39  -1.788   8.614  -2.248
  333   2HG2  VAL  39          2HG2      VAL  39  -3.332   8.829  -1.426
  334   3HG2  VAL  39          3HG2      VAL  39  -2.498   7.277  -1.343
  335    H    ALA  40           H        ALA  40   1.313  10.071   0.804
  336    HA   ALA  40           HA       ALA  40   0.700   9.970   3.623
  337   1HB   ALA  40          1HB       ALA  40   2.371   8.175   3.345
  338   2HB   ALA  40          2HB       ALA  40   2.940   9.545   4.297
  339   3HB   ALA  40          3HB       ALA  40   3.456   9.358   2.617
  340    H    GLU  41           H        GLU  41   1.456  11.517   4.750
  341    HA   GLU  41           HA       GLU  41   3.046  13.720   3.601
  342   1HB   GLU  41          2HB       GLU  41   1.791  15.423   4.720
  343   2HB   GLU  41          1HB       GLU  41   0.553  14.490   3.912
  344   1HG   GLU  41          2HG       GLU  41   1.247  13.990   6.794
  345   2HG   GLU  41          1HG       GLU  41   0.172  15.298   6.321
  346    H    VAL  42           H        VAL  42   4.484  14.465   5.110
  347    HA   VAL  42           HA       VAL  42   4.643  12.883   7.642
  348    HB   VAL  42           HB       VAL  42   7.014  13.112   5.818
  349   1HG1  VAL  42          1HG1      VAL  42   8.033  11.405   7.303
  350   2HG1  VAL  42          2HG1      VAL  42   6.561  11.404   8.276
  351   3HG1  VAL  42          3HG1      VAL  42   7.556  12.855   8.187
  352   1HG2  VAL  42          1HG2      VAL  42   5.313  10.675   6.169
  353   2HG2  VAL  42          2HG2      VAL  42   6.866  10.737   5.337
  354   3HG2  VAL  42          3HG2      VAL  42   5.488  11.642   4.706
  355    H    VAL  43           H        VAL  43   5.566  13.252   8.882
  356    HA   VAL  43           HA       VAL  43   6.430  15.835   9.222
  357    HB   VAL  43           HB       VAL  43   4.342  15.011  11.282
  358   1HG1  VAL  43          1HG1      VAL  43   4.608  17.241  12.288
  359   2HG1  VAL  43          2HG1      VAL  43   6.022  17.501  11.265
  360   3HG1  VAL  43          3HG1      VAL  43   6.030  16.217  12.476
  361   1HG2  VAL  43          1HG2      VAL  43   3.431  15.792   9.166
  362   2HG2  VAL  43          2HG2      VAL  43   4.370  17.280   9.298
  363   3HG2  VAL  43          3HG2      VAL  43   3.080  16.944  10.456
  364    H    ILE  44           H        ILE  44   8.427  15.661  10.299
  365    HA   ILE  44           HA       ILE  44   8.663  14.002  12.666
  366    HB   ILE  44           HB       ILE  44   9.669  12.762  10.696
  367   1HG1  ILE  44          2HG1      ILE  44  10.828  12.521  12.891
  368   2HG1  ILE  44          1HG1      ILE  44  11.880  12.272  11.515
  369   1HG2  ILE  44          1HG2      ILE  44  11.599  13.633   9.481
  370   2HG2  ILE  44          2HG2      ILE  44  11.274  15.200  10.238
  371   3HG2  ILE  44          3HG2      ILE  44  10.072  14.468   9.177
  372   1HD1  ILE  44          1HD1      ILE  44  12.834  14.485  11.852
  373   2HD1  ILE  44          2HD1      ILE  44  12.977  13.486  13.300
  374   3HD1  ILE  44          3HD1      ILE  44  11.745  14.747  13.212
  375    H    ASP  45           H        ASP  45   8.960  15.181  14.184
  376    HA   ASP  45           HA       ASP  45   8.978  17.925  13.622
  377   1HB   ASP  45          2HB       ASP  45   7.643  17.068  15.465
  378   2HB   ASP  45          1HB       ASP  45   9.126  16.750  16.372
  379    H    ASP  46           H        ASP  46  11.464  15.925  14.608
  380    HA   ASP  46           HA       ASP  46  13.398  16.459  15.916
  381   1HB   ASP  46          2HB       ASP  46  13.959  15.570  13.730
  382   2HB   ASP  46          1HB       ASP  46  13.949  17.196  13.048
  383    H    SER  47           H        SER  47  12.352  18.610  17.044
  384    HA   SER  47           HA       SER  47  13.533  20.756  16.209
  385   1HB   SER  47          2HB       SER  47  13.665  21.465  18.732
  386   2HB   SER  47          1HB       SER  47  12.102  21.105  18.007
  387    HG   SER  47           HG       SER  47  13.667  19.197  19.430
  388    H    LYS  48           H        LYS  48  15.542  18.507  18.340
  389    HA   LYS  48           HA       LYS  48  17.882  19.112  18.375
  390   1HB   LYS  48          2HB       LYS  48  17.145  16.731  16.741
  391   2HB   LYS  48          1HB       LYS  48  18.803  17.077  17.188
  392   1HG   LYS  48          2HG       LYS  48  16.549  16.736  19.155
  393   2HG   LYS  48          1HG       LYS  48  17.631  15.438  18.651
  394   1HD   LYS  48          2HD       LYS  48  18.519  18.013  19.985
  395   2HD   LYS  48          1HD       LYS  48  18.300  16.470  20.800
  396   1HE   LYS  48          2HE       LYS  48  20.015  15.466  19.334
  397   2HE   LYS  48          1HE       LYS  48  20.253  17.032  18.567
  398   1HZ   LYS  48          1HZ       LYS  48  20.709  16.493  21.451
  399   2HZ   LYS  48          2HZ       LYS  48  21.035  17.935  20.627
  400   3HZ   LYS  48          3HZ       LYS  48  21.905  16.542  20.274
  401    H    VAL  49           H        VAL  49  18.246  17.863  15.021
  402    HA   VAL  49           HA       VAL  49  19.056  20.405  14.424
  403    HB   VAL  49           HB       VAL  49  21.122  18.148  14.261
  404   1HG1  VAL  49          1HG1      VAL  49  22.715  19.812  13.423
  405   2HG1  VAL  49          2HG1      VAL  49  21.405  20.993  13.332
  406   3HG1  VAL  49          3HG1      VAL  49  21.357  19.536  12.333
  407   1HG2  VAL  49          1HG2      VAL  49  21.224  20.689  15.899
  408   2HG2  VAL  49          2HG2      VAL  49  22.507  19.485  15.788
  409   3HG2  VAL  49          3HG2      VAL  49  20.962  19.061  16.525
  410    H    ASN  50           H        ASN  50  17.788  20.319  12.521
  411    HA   ASN  50           HA       ASN  50  17.066  17.877  11.427
  412   1HB   ASN  50          2HB       ASN  50  15.807  19.074   9.699
  413   2HB   ASN  50          1HB       ASN  50  15.506  19.731  11.296
  414   1HD2  ASN  50          1HD2      ASN  50  16.802  20.326   8.142
  415   2HD2  ASN  50          2HD2      ASN  50  17.055  22.015   8.335
  416    H    ILE  51           H        ILE  51  19.199  20.200  10.271
  417    HA   ILE  51           HA       ILE  51  19.630  19.042   8.109
  418    HB   ILE  51           HB       ILE  51  20.815  21.155   8.524
  419   1HG1  ILE  51          2HG1      ILE  51  21.462  19.967   6.364
  420   2HG1  ILE  51          1HG1      ILE  51  22.611  21.151   6.934
  421   1HG2  ILE  51          1HG2      ILE  51  22.985  19.509   9.771
  422   2HG2  ILE  51          2HG2      ILE  51  21.897  20.641  10.573
  423   3HG2  ILE  51          3HG2      ILE  51  23.102  21.231   9.428
  424   1HD1  ILE  51          1HD1      ILE  51  24.046  19.339   7.748
  425   2HD1  ILE  51          2HD1      ILE  51  23.712  19.194   6.020
  426   3HD1  ILE  51          3HD1      ILE  51  22.866  18.162   7.173
  427    H    GLU  52           H        GLU  52  21.024  17.586  11.135
  428    HA   GLU  52           HA       GLU  52  22.710  15.740   9.832
  429   1HB   GLU  52          2HB       GLU  52  23.149  16.601  12.109
  430   2HB   GLU  52          1HB       GLU  52  21.603  15.961  12.641
  431   1HG   GLU  52          2HG       GLU  52  23.398  14.514  13.365
  432   2HG   GLU  52          1HG       GLU  52  22.402  13.685  12.167
  433    H    GLU  53           H        GLU  53  19.510  15.813  11.330
  434    HA   GLU  53           HA       GLU  53  18.614  13.218  10.807
  435   1HB   GLU  53          2HB       GLU  53  17.648  14.844  12.385
  436   2HB   GLU  53          1HB       GLU  53  17.389  15.974  11.090
  437   1HG   GLU  53          2HG       GLU  53  15.951  13.357  11.171
  438   2HG   GLU  53          1HG       GLU  53  15.424  14.720  12.139
  439    H    LEU  54           H        LEU  54  18.452  16.008   8.647
  440    HA   LEU  54           HA       LEU  54  17.495  14.170   6.671
  441   1HB   LEU  54          2HB       LEU  54  17.377  16.103   5.085
  442   2HB   LEU  54          1HB       LEU  54  16.408  16.274   6.524
  443    HG   LEU  54           HG       LEU  54  18.275  17.762   7.400
  444   1HD1  LEU  54          1HD1      LEU  54  19.618  18.921   5.703
  445   2HD1  LEU  54          2HD1      LEU  54  19.050  17.770   4.490
  446   3HD1  LEU  54          3HD1      LEU  54  20.027  17.213   5.851
  447   1HD2  LEU  54          1HD2      LEU  54  17.395  19.706   6.213
  448   2HD2  LEU  54          2HD2      LEU  54  16.126  18.595   6.727
  449   3HD2  LEU  54          3HD2      LEU  54  16.644  18.628   5.037
  450    H    LYS  55           H        LYS  55  20.189  14.353   7.832
  451    HA   LYS  55           HA       LYS  55  21.752  13.647   5.346
  452   1HB   LYS  55          2HB       LYS  55  23.055  14.914   7.028
  453   2HB   LYS  55          1HB       LYS  55  22.599  13.743   8.253
  454   1HG   LYS  55          2HG       LYS  55  24.785  13.200   7.592
  455   2HG   LYS  55          1HG       LYS  55  23.728  11.991   6.875
  456   1HD   LYS  55          2HD       LYS  55  23.802  13.440   4.769
  457   2HD   LYS  55          1HD       LYS  55  25.155  14.272   5.543
  458   1HE   LYS  55          2HE       LYS  55  24.955  11.420   4.646
  459   2HE   LYS  55          1HE       LYS  55  26.191  12.614   4.272
  460   1HZ   LYS  55          1HZ       LYS  55  26.877  12.464   6.665
  461   2HZ   LYS  55          2HZ       LYS  55  27.088  11.051   5.771
  462   3HZ   LYS  55          3HZ       LYS  55  25.789  11.156   6.826
  463    H    GLU  56           H        GLU  56  21.034  11.665   8.301
  464    HA   GLU  56           HA       GLU  56  22.261   9.815   6.734
  465   1HB   GLU  56          2HB       GLU  56  21.002   9.552   9.392
  466   2HB   GLU  56          1HB       GLU  56  21.568   8.105   8.555
  467   1HG   GLU  56          2HG       GLU  56  23.211  10.541   9.229
  468   2HG   GLU  56          1HG       GLU  56  23.331   8.945   9.978
  469    H    LYS  57           H        LYS  57  18.909  10.146   7.720
  470    HA   LYS  57           HA       LYS  57  17.919   7.891   6.366
  471   1HB   LYS  57          2HB       LYS  57  15.824   8.604   7.159
  472   2HB   LYS  57          1HB       LYS  57  17.094   8.541   8.353
  473   1HG   LYS  57          2HG       LYS  57  17.243  11.026   8.151
  474   2HG   LYS  57          1HG       LYS  57  15.752  10.935   7.196
  475   1HD   LYS  57          2HD       LYS  57  14.744   9.602   9.049
  476   2HD   LYS  57          1HD       LYS  57  16.178   9.968  10.004
  477   1HE   LYS  57          2HE       LYS  57  14.625  11.541  10.660
  478   2HE   LYS  57          1HE       LYS  57  15.675  12.370   9.506
  479   1HZ   LYS  57          1HZ       LYS  57  13.533  12.953   9.070
  480   2HZ   LYS  57          2HZ       LYS  57  12.969  11.345   9.097
  481   3HZ   LYS  57          3HZ       LYS  57  13.945  11.901   7.782
  482    H    LEU  58           H        LEU  58  18.174  10.849   5.697
  483    HA   LEU  58           HA       LEU  58  17.121  11.931   3.715
  484   1HB   LEU  58          2HB       LEU  58  19.176  13.019   4.104
  485   2HB   LEU  58          1HB       LEU  58  20.068  11.841   3.169
  486    HG   LEU  58           HG       LEU  58  19.010  12.751   1.096
  487   1HD1  LEU  58          1HD1      LEU  58  17.889  14.924   1.188
  488   2HD1  LEU  58          2HD1      LEU  58  17.948  14.876   2.950
  489   3HD1  LEU  58          3HD1      LEU  58  16.991  13.687   2.068
  490   1HD2  LEU  58          1HD2      LEU  58  20.503  14.754   2.785
  491   2HD2  LEU  58          2HD2      LEU  58  20.345  14.798   1.027
  492   3HD2  LEU  58          3HD2      LEU  58  21.231  13.484   1.804
  493    H    LYS  59           H        LYS  59  17.295   9.269   3.261
  494    HA   LYS  59           HA       LYS  59  18.363   8.424   0.712
  495   1HB   LYS  59          2HB       LYS  59  19.343   7.561   2.749
  496   2HB   LYS  59          1HB       LYS  59  17.837   6.794   3.196
  497   1HG   LYS  59          2HG       LYS  59  18.108   5.302   1.230
  498   2HG   LYS  59          1HG       LYS  59  19.691   6.044   0.948
  499   1HD   LYS  59          2HD       LYS  59  18.827   4.593   3.467
  500   2HD   LYS  59          1HD       LYS  59  19.961   3.996   2.258
  501   1HE   LYS  59          2HE       LYS  59  21.514   5.824   2.782
  502   2HE   LYS  59          1HE       LYS  59  20.369   6.489   3.936
  503   1HZ   LYS  59          1HZ       LYS  59  22.089   5.266   5.013
  504   2HZ   LYS  59          2HZ       LYS  59  21.705   3.850   4.197
  505   3HZ   LYS  59          3HZ       LYS  59  20.623   4.516   5.303
  506    H    GLY  60           H        GLY  60  16.332   6.575  -0.466
  507   1HA   GLY  60          2HA       GLY  60  14.123   6.524   1.018
  508   2HA   GLY  60          1HA       GLY  60  13.999   7.730  -0.251
  509    H    GLU  61           H        GLU  61  13.085   4.965   0.241
  510    HA   GLU  61           HA       GLU  61  13.723   3.799  -2.443
  511   1HB   GLU  61          2HB       GLU  61  15.235   2.988  -0.569
  512   2HB   GLU  61          1HB       GLU  61  13.796   2.337   0.186
  513   1HG   GLU  61          2HG       GLU  61  13.447   0.869  -1.693
  514   2HG   GLU  61          1HG       GLU  61  14.837   1.584  -2.520
  515    H    VAL  62           H        VAL  62  12.207   2.477  -3.189
  516    HA   VAL  62           HA       VAL  62  10.024   1.109  -3.106
  517    HB   VAL  62           HB       VAL  62   9.417   2.728  -0.633
  518   1HG1  VAL  62          1HG1      VAL  62   7.671   1.012  -0.290
  519   2HG1  VAL  62          2HG1      VAL  62   8.121   0.243  -1.810
  520   3HG1  VAL  62          3HG1      VAL  62   7.414   1.862  -1.817
  521   1HG2  VAL  62          1HG2      VAL  62  10.397  -0.126  -0.953
  522   2HG2  VAL  62          2HG2      VAL  62   9.910   0.624   0.565
  523   3HG2  VAL  62          3HG2      VAL  62  11.334   1.215  -0.295
  524    H    ILE  63           H        ILE  63  10.886   4.156  -4.327
  525    HA   ILE  63           HA       ILE  63  10.072   5.786  -5.342
  526    HB   ILE  63           HB       ILE  63   7.247   4.621  -4.909
  527   1HG1  ILE  63          2HG1      ILE  63   8.578   2.997  -6.105
  528   2HG1  ILE  63          1HG1      ILE  63   7.439   3.734  -7.220
  529   1HG2  ILE  63          1HG2      ILE  63   8.156   6.628  -6.981
  530   2HG2  ILE  63          2HG2      ILE  63   7.149   6.981  -5.577
  531   3HG2  ILE  63          3HG2      ILE  63   6.540   5.932  -6.855
  532   1HD1  ILE  63          1HD1      ILE  63   9.606   3.445  -8.267
  533   2HD1  ILE  63          2HD1      ILE  63  10.378   4.377  -6.989
  534   3HD1  ILE  63          3HD1      ILE  63   9.251   5.165  -8.092
  535    H    GLU  64           H        GLU  64  10.139   5.439  -2.453
  536    HA   GLU  64           HA       GLU  64   8.995   7.873  -1.258
  537   1HB   GLU  64          2HB       GLU  64   9.934   5.993   0.081
  538   2HB   GLU  64          1HB       GLU  64  11.526   6.384  -0.546
  539   1HG   GLU  64          2HG       GLU  64  11.459   8.540   0.526
  540   2HG   GLU  64          1HG       GLU  64   9.812   8.256   1.068
  541    H    GLU  65           H        GLU  65  12.047   7.157  -2.800
  542    HA   GLU  65           HA       GLU  65  13.768   8.365  -3.340
  543   1HB   GLU  65          2HB       GLU  65  11.605   9.838  -4.763
  544   2HB   GLU  65          1HB       GLU  65  13.288  10.334  -4.925
  545   1HG   GLU  65          2HG       GLU  65  12.222   7.578  -5.491
  546   2HG   GLU  65          1HG       GLU  65  12.603   8.804  -6.698
  547    H    LYS  66           H        LYS  66  14.304   8.648  -1.529
  548    HA   LYS  66           HA       LYS  66  15.372   9.879   0.436
  549   1HB   LYS  66          2HB       LYS  66  15.306  12.201  -1.524
  550   2HB   LYS  66          1HB       LYS  66  16.421  11.959  -0.186
  551   1HG   LYS  66          2HG       LYS  66  17.809  11.499  -1.998
  552   2HG   LYS  66          1HG       LYS  66  17.210   9.881  -1.640
  553   1HD   LYS  66          2HD       LYS  66  15.407  10.282  -3.363
  554   2HD   LYS  66          1HD       LYS  66  16.248  11.760  -3.804
  555   1HE   LYS  66          2HE       LYS  66  16.926  10.130  -5.364
  556   2HE   LYS  66          1HE       LYS  66  18.275  10.320  -4.250
  557   1HZ   LYS  66          1HZ       LYS  66  16.267   8.096  -4.165
  558   2HZ   LYS  66          2HZ       LYS  66  17.629   8.254  -3.143
  559   3HZ   LYS  66          3HZ       LYS  66  17.819   8.027  -4.776
  560    H    GLU  67           H        GLU  67  14.791  12.606   1.564
  561    HA   GLU  67           HA       GLU  67  12.056  12.187   1.529
  562   1HB   GLU  67          2HB       GLU  67  12.148  13.092   3.870
  563   2HB   GLU  67          1HB       GLU  67  12.847  11.497   3.710
  564   1HG   GLU  67          2HG       GLU  67  15.076  12.454   3.815
  565   2HG   GLU  67          1HG       GLU  67  14.389  14.080   3.894
  566    H    ILE  68           H        ILE  68  11.693  13.540   0.047
  567    HA   ILE  68           HA       ILE  68  12.979  15.912  -0.425
  568    HB   ILE  68           HB       ILE  68  11.718  14.733  -2.133
  569   1HG1  ILE  68          2HG1      ILE  68  10.595  17.537  -1.833
  570   2HG1  ILE  68          1HG1      ILE  68  12.175  17.160  -2.503
  571   1HG2  ILE  68          1HG2      ILE  68   9.848  13.913  -0.951
  572   2HG2  ILE  68          2HG2      ILE  68   9.283  14.837  -2.340
  573   3HG2  ILE  68          3HG2      ILE  68   9.190  15.533  -0.731
  574   1HD1  ILE  68          1HD1      ILE  68  10.574  17.627  -4.253
  575   2HD1  ILE  68          2HD1      ILE  68   9.511  16.353  -3.652
  576   3HD1  ILE  68          3HD1      ILE  68  11.086  15.942  -4.329
  577    H    THR  69           H        THR  69   9.811  16.909   0.072
  578    HA   THR  69           HA       THR  69   9.982  18.951   1.953
  579    HB   THR  69           HB       THR  69  11.531  19.867  -0.515
  580    HG1  THR  69           HG1      THR  69  12.577  18.609   1.528
  581   1HG2  THR  69          1HG2      THR  69  11.885  21.929   0.781
  582   2HG2  THR  69          2HG2      THR  69  10.929  21.256   2.099
  583   3HG2  THR  69          3HG2      THR  69  10.170  21.589   0.543
  584    H    LEU  70           H        LEU  70   8.100  19.917   1.710
  585    HA   LEU  70           HA       LEU  70   7.514  21.332  -0.463
  586   1HB   LEU  70          2HB       LEU  70   6.845  19.089  -1.579
  587   2HB   LEU  70          1HB       LEU  70   5.672  18.881  -0.304
  588    HG   LEU  70           HG       LEU  70   4.438  20.864  -1.196
  589   1HD1  LEU  70          1HD1      LEU  70   6.291  21.981  -2.336
  590   2HD1  LEU  70          2HD1      LEU  70   4.968  21.646  -3.453
  591   3HD1  LEU  70          3HD1      LEU  70   6.412  20.634  -3.468
  592   1HD2  LEU  70          1HD2      LEU  70   3.560  19.703  -3.146
  593   2HD2  LEU  70          2HD2      LEU  70   3.754  18.633  -1.758
  594   3HD2  LEU  70          3HD2      LEU  70   4.920  18.582  -3.083
  595    H    GLN  71           H        GLN  71   5.174  22.060  -0.452
  596    HA   GLN  71           HA       GLN  71   4.805  23.211   2.276
  597   1HB   GLN  71          2HB       GLN  71   6.124  24.631   0.561
  598   2HB   GLN  71          1HB       GLN  71   4.638  24.620  -0.374
  599   1HG   GLN  71          2HG       GLN  71   3.455  25.733   1.343
  600   2HG   GLN  71          1HG       GLN  71   4.799  25.558   2.468
  601   1HE2  GLN  71          1HE2      GLN  71   3.462  27.951   1.531
  602   2HE2  GLN  71          2HE2      GLN  71   4.708  28.963   0.900
  603    H    GLU  72           H        GLU  72   3.082  23.267   3.035
  604    HA   GLU  72           HA       GLU  72   1.001  21.477   2.452
  605   1HB   GLU  72          2HB       GLU  72   0.000  22.365   4.301
  606   2HB   GLU  72          1HB       GLU  72   1.700  22.157   4.603
  607   1HG   GLU  72          2HG       GLU  72   0.256  24.774   4.168
  608   2HG   GLU  72          1HG       GLU  72   0.798  24.139   5.709
  609    H    LEU  73           H        LEU  73   0.454  22.686  -0.299
  610    HA   LEU  73           HA       LEU  73  -1.556  24.397   0.491
  611   1HB   LEU  73          2HB       LEU  73  -0.497  23.360  -2.177
  612   2HB   LEU  73          1HB       LEU  73  -1.901  24.386  -2.055
  613    HG   LEU  73           HG       LEU  73  -0.411  26.206  -1.149
  614   1HD1  LEU  73          1HD1      LEU  73   2.001  26.024  -1.481
  615   2HD1  LEU  73          2HD1      LEU  73   1.813  24.342  -1.971
  616   3HD1  LEU  73          3HD1      LEU  73   1.430  24.825  -0.319
  617   1HD2  LEU  73          1HD2      LEU  73   0.539  26.780  -3.303
  618   2HD2  LEU  73          2HD2      LEU  73  -1.074  26.091  -3.511
  619   3HD2  LEU  73          3HD2      LEU  73   0.354  25.117  -3.843
  620    H    ILE  74           H        ILE  74  -2.532  22.819   1.706
  621    HA   ILE  74           HA       ILE  74  -4.442  21.029   0.370
  622    HB   ILE  74           HB       ILE  74  -2.353  19.647   0.436
  623   1HG1  ILE  74          2HG1      ILE  74  -3.348  17.675   1.650
  624   2HG1  ILE  74          1HG1      ILE  74  -4.605  18.749   2.247
  625   1HG2  ILE  74          1HG2      ILE  74  -2.560  19.987   3.415
  626   2HG2  ILE  74          2HG2      ILE  74  -1.286  20.606   2.369
  627   3HG2  ILE  74          3HG2      ILE  74  -1.475  18.866   2.591
  628   1HD1  ILE  74          1HD1      ILE  74  -4.059  18.105  -0.640
  629   2HD1  ILE  74          2HD1      ILE  74  -5.336  19.167  -0.042
  630   3HD1  ILE  74          3HD1      ILE  74  -5.361  17.447   0.347
  Start of MODEL    6
    1    H    SER   1           H        SER   1   7.091  25.032   9.867
    2    HA   SER   1           HA       SER   1   7.113  22.819  10.529
    3   1HB   SER   1          2HB       SER   1   4.320  22.699   9.358
    4   2HB   SER   1          1HB       SER   1   5.187  21.379  10.153
    5    HG   SER   1           HG       SER   1   5.155  22.756  12.137
    6    H    LYS   2           H        LYS   2   6.266  20.850   7.921
    7    HA   LYS   2           HA       LYS   2   7.565  22.468   6.112
    8   1HB   LYS   2          2HB       LYS   2   8.177  19.585   6.854
    9   2HB   LYS   2          1HB       LYS   2   8.818  20.419   5.462
   10   1HG   LYS   2          2HG       LYS   2  10.082  21.885   6.960
   11   2HG   LYS   2          1HG       LYS   2   9.448  20.975   8.346
   12   1HD   LYS   2          2HD       LYS   2  10.350  18.893   7.329
   13   2HD   LYS   2          1HD       LYS   2  11.089  19.868   6.065
   14   1HE   LYS   2          2HE       LYS   2  12.446  21.002   7.708
   15   2HE   LYS   2          1HE       LYS   2  11.654  20.111   9.008
   16   1HZ   LYS   2          1HZ       LYS   2  13.695  19.116   8.563
   17   2HZ   LYS   2          2HZ       LYS   2  13.406  18.969   6.885
   18   3HZ   LYS   2          3HZ       LYS   2  12.585  18.011   7.958
   19    H    TRP   3           H        TRP   3   6.832  21.288   3.956
   20    HA   TRP   3           HA       TRP   3   5.216  18.865   4.351
   21   1HB   TRP   3          2HB       TRP   3   3.770  21.159   3.836
   22   2HB   TRP   3          1HB       TRP   3   4.505  20.948   2.259
   23    HD1  TRP   3           HD1      TRP   3   1.899  19.482   4.588
   24    HE1  TRP   3           HE1      TRP   3   0.307  18.001   3.243
   25    HE3  TRP   3           HE3      TRP   3   4.371  19.411   0.121
   26    HZ2  TRP   3           HZ2      TRP   3   0.094  16.933   0.684
   27    HZ3  TRP   3           HZ3      TRP   3   3.367  18.112  -1.737
   28    HH2  TRP   3           HH2      TRP   3   1.288  16.912  -1.453
   29    H    ILE   4           H        ILE   4   6.332  17.416   3.994
   30    HA   ILE   4           HA       ILE   4   7.977  17.422   1.506
   31    HB   ILE   4           HB       ILE   4   9.797  16.378   2.677
   32   1HG1  ILE   4          2HG1      ILE   4   8.192  16.691   5.231
   33   2HG1  ILE   4          1HG1      ILE   4   8.518  15.201   4.341
   34   1HG2  ILE   4          1HG2      ILE   4   9.041  18.920   4.085
   35   2HG2  ILE   4          2HG2      ILE   4   9.982  18.770   2.599
   36   3HG2  ILE   4          3HG2      ILE   4  10.645  18.187   4.128
   37   1HD1  ILE   4          1HD1      ILE   4  10.873  15.377   4.836
   38   2HD1  ILE   4          2HD1      ILE   4   9.932  15.417   6.328
   39   3HD1  ILE   4          3HD1      ILE   4  10.609  16.908   5.671
   40    H    LYS   5           H        LYS   5   8.813  14.910   1.135
   41    HA   LYS   5           HA       LYS   5   6.216  13.708   1.071
   42   1HB   LYS   5          2HB       LYS   5   7.425  14.648  -1.037
   43   2HB   LYS   5          1HB       LYS   5   8.558  13.338  -0.781
   44   1HG   LYS   5          2HG       LYS   5   6.766  11.693  -1.085
   45   2HG   LYS   5          1HG       LYS   5   5.605  13.014  -1.230
   46   1HD   LYS   5          2HD       LYS   5   6.881  13.858  -3.169
   47   2HD   LYS   5          1HD       LYS   5   7.915  12.441  -3.048
   48   1HE   LYS   5          2HE       LYS   5   6.110  10.966  -3.549
   49   2HE   LYS   5          1HE       LYS   5   4.930  12.268  -3.409
   50   1HZ   LYS   5          1HZ       LYS   5   7.057  12.159  -5.488
   51   2HZ   LYS   5          2HZ       LYS   5   5.797  13.282  -5.374
   52   3HZ   LYS   5          3HZ       LYS   5   5.460  11.687  -5.714
   53    H    PHE   6           H        PHE   6   8.010  11.538   0.041
   54    HA   PHE   6           HA       PHE   6   9.066  10.558   2.433
   55   1HB   PHE   6          2HB       PHE   6   6.675  10.879   2.949
   56   2HB   PHE   6          1HB       PHE   6   6.364   9.423   2.006
   57    HD1  PHE   6           HD1      PHE   6   5.798   7.664   3.379
   58    HD2  PHE   6           HD2      PHE   6   8.897  10.305   4.601
   59    HE1  PHE   6           HE1      PHE   6   6.208   6.266   5.343
   60    HE2  PHE   6           HE2      PHE   6   9.310   8.910   6.573
   61    HZ   PHE   6           HZ       PHE   6   7.955   6.883   6.941
   62    H    THR   7           H        THR   7   8.140   7.855   2.352
   63    HA   THR   7           HA       THR   7   8.578   6.105  -0.048
   64    HB   THR   7           HB       THR   7   7.372   5.885   2.704
   65    HG1  THR   7           HG1      THR   7   9.987   6.189   2.173
   66   1HG2  THR   7          1HG2      THR   7   7.911   3.472   2.493
   67   2HG2  THR   7          2HG2      THR   7   8.453   3.779   0.837
   68   3HG2  THR   7          3HG2      THR   7   6.771   4.048   1.277
   69    H    THR   8           H        THR   8   6.721   5.507  -1.498
   70    HA   THR   8           HA       THR   8   4.284   6.157  -0.308
   71    HB   THR   8           HB       THR   8   3.521   6.668  -2.774
   72    HG1  THR   8           HG1      THR   8   5.834   7.475  -3.698
   73   1HG2  THR   8          1HG2      THR   8   3.924   8.443  -1.093
   74   2HG2  THR   8          2HG2      THR   8   4.403   8.954  -2.711
   75   3HG2  THR   8          3HG2      THR   8   5.629   8.461  -1.543
   76    H    ASN   9           H        ASN   9   4.881   3.737   0.049
   77    HA   ASN   9           HA       ASN   9   4.984   1.642  -2.196
   78   1HB   ASN   9          2HB       ASN   9   7.127   2.884  -2.199
   79   2HB   ASN   9          1HB       ASN   9   7.370   2.295  -0.565
   80   1HD2  ASN   9          1HD2      ASN   9   5.781   0.455  -3.195
   81   2HD2  ASN   9          2HD2      ASN   9   7.010  -0.738  -3.252
   82    H    LEU  10           H        LEU  10   6.259   2.181   0.860
   83    HA   LEU  10           HA       LEU  10   5.493  -0.553   2.050
   84   1HB   LEU  10          2HB       LEU  10   7.217   1.599   3.119
   85   2HB   LEU  10          1HB       LEU  10   7.017  -0.047   3.654
   86    HG   LEU  10           HG       LEU  10   8.560   0.895   1.247
   87   1HD1  LEU  10          1HD1      LEU  10   9.657   1.285   3.378
   88   2HD1  LEU  10          2HD1      LEU  10  10.456  -0.030   2.511
   89   3HD1  LEU  10          3HD1      LEU  10   9.372  -0.388   3.852
   90   1HD2  LEU  10          1HD2      LEU  10   9.191  -1.456   0.967
   91   2HD2  LEU  10          2HD2      LEU  10   7.457  -1.230   0.758
   92   3HD2  LEU  10          3HD2      LEU  10   8.083  -1.908   2.264
   93    H    THR  11           H        THR  11   4.838  -0.964   3.565
   94    HA   THR  11           HA       THR  11   3.606   1.082   4.965
   95    HB   THR  11           HB       THR  11   1.642   0.123   3.823
   96    HG1  THR  11           HG1      THR  11   1.301   0.765   5.857
   97   1HG2  THR  11          1HG2      THR  11   2.444  -2.151   3.316
   98   2HG2  THR  11          2HG2      THR  11   0.882  -2.228   4.140
   99   3HG2  THR  11          3HG2      THR  11   2.366  -2.568   5.025
  100    HA   PRO  12           HA       PRO  12   6.672  -1.701   6.305
  101   1HB   PRO  12          2HB       PRO  12   8.344  -0.022   7.598
  102   2HB   PRO  12          1HB       PRO  12   8.159  -0.026   5.840
  103   1HG   PRO  12          2HG       PRO  12   7.014   1.832   7.865
  104   2HG   PRO  12          1HG       PRO  12   7.594   2.178   6.228
  105   1HD   PRO  12          2HD       PRO  12   4.931   1.790   6.991
  106   2HD   PRO  12          1HD       PRO  12   5.555   1.751   5.322
  107    H    GLU  13           H        GLU  13   8.124  -1.571   8.760
  108    HA   GLU  13           HA       GLU  13   6.012  -1.513  10.469
  109   1HB   GLU  13          2HB       GLU  13   6.781  -3.826  10.195
  110   2HB   GLU  13          1HB       GLU  13   8.432  -3.345  10.531
  111   1HG   GLU  13          2HG       GLU  13   7.909  -2.948  12.835
  112   2HG   GLU  13          1HG       GLU  13   6.196  -3.249  12.523
  113    H    GLU  14           H        GLU  14   6.969  -0.194  12.656
  114    HA   GLU  14           HA       GLU  14   8.577   1.787  11.674
  115   1HB   GLU  14          2HB       GLU  14   7.298   1.252  14.353
  116   2HB   GLU  14          1HB       GLU  14   8.059   2.762  13.868
  117   1HG   GLU  14          2HG       GLU  14   6.424   2.972  12.038
  118   2HG   GLU  14          1HG       GLU  14   5.645   1.496  12.594
  119    H    ALA  15           H        ALA  15  10.080  -0.563  11.728
  120    HA   ALA  15           HA       ALA  15  11.806  -0.078  13.937
  121   1HB   ALA  15          1HB       ALA  15  11.413  -2.626  12.364
  122   2HB   ALA  15          2HB       ALA  15  10.980  -2.340  14.051
  123   3HB   ALA  15          3HB       ALA  15  12.677  -2.414  13.574
  124    H    LYS  16           H        LYS  16  11.332  -0.757  10.449
  125    HA   LYS  16           HA       LYS  16  13.995  -0.618   9.518
  126   1HB   LYS  16          2HB       LYS  16  12.019  -1.517   8.237
  127   2HB   LYS  16          1HB       LYS  16  11.387   0.102   8.098
  128   1HG   LYS  16          2HG       LYS  16  13.971  -0.847   6.801
  129   2HG   LYS  16          1HG       LYS  16  12.410  -0.851   5.999
  130   1HD   LYS  16          2HD       LYS  16  12.373   1.671   6.438
  131   2HD   LYS  16          1HD       LYS  16  14.064   1.515   6.893
  132   1HE   LYS  16          2HE       LYS  16  12.883   0.794   4.191
  133   2HE   LYS  16          1HE       LYS  16  13.814   2.239   4.545
  134   1HZ   LYS  16          1HZ       LYS  16  14.827  -0.568   4.589
  135   2HZ   LYS  16          2HZ       LYS  16  15.722   0.769   5.048
  136   3HZ   LYS  16          3HZ       LYS  16  15.204   0.634   3.460
  137    H    ILE  17           H        ILE  17  11.457   2.134   8.931
  138    HA   ILE  17           HA       ILE  17  12.964   4.170   8.773
  139    HB   ILE  17           HB       ILE  17  10.566   3.898   8.389
  140   1HG1  ILE  17          2HG1      ILE  17  11.302   6.222  10.195
  141   2HG1  ILE  17          1HG1      ILE  17  11.599   6.139   8.468
  142   1HG2  ILE  17          1HG2      ILE  17  10.305   4.112  11.379
  143   2HG2  ILE  17          2HG2      ILE  17   9.932   2.709  10.382
  144   3HG2  ILE  17          3HG2      ILE  17   8.969   4.179  10.225
  145   1HD1  ILE  17          1HD1      ILE  17   8.932   6.228   9.844
  146   2HD1  ILE  17          2HD1      ILE  17   9.175   5.985   8.121
  147   3HD1  ILE  17          3HD1      ILE  17   9.678   7.508   8.875
  148    H    VAL  18           H        VAL  18  12.760   2.515  11.862
  149    HA   VAL  18           HA       VAL  18  12.469   4.754  13.497
  150    HB   VAL  18           HB       VAL  18  12.283   2.332  14.225
  151   1HG1  VAL  18          1HG1      VAL  18  15.233   2.573  14.658
  152   2HG1  VAL  18          2HG1      VAL  18  14.410   1.488  13.538
  153   3HG1  VAL  18          3HG1      VAL  18  14.207   1.279  15.279
  154   1HG2  VAL  18          1HG2      VAL  18  13.729   4.236  16.047
  155   2HG2  VAL  18          2HG2      VAL  18  12.875   2.787  16.568
  156   3HG2  VAL  18          3HG2      VAL  18  11.982   4.112  15.822
  157    H    GLN  19           H        GLN  19  15.367   3.871  11.802
  158    HA   GLN  19           HA       GLN  19  17.009   5.642  13.430
  159   1HB   GLN  19          2HB       GLN  19  17.721   4.189  10.846
  160   2HB   GLN  19          1HB       GLN  19  18.823   5.201  11.758
  161   1HG   GLN  19          2HG       GLN  19  19.368   2.916  12.171
  162   2HG   GLN  19          1HG       GLN  19  18.677   3.594  13.638
  163   1HE2  GLN  19          1HE2      GLN  19  16.773   2.570  10.877
  164   2HE2  GLN  19          2HE2      GLN  19  16.013   1.223  11.684
  165    H    TYR  20           H        TYR  20  15.034   6.252  10.743
  166    HA   TYR  20           HA       TYR  20  16.023   8.979  10.182
  167   1HB   TYR  20          2HB       TYR  20  14.272   7.579   8.879
  168   2HB   TYR  20          1HB       TYR  20  13.193   7.892  10.226
  169    HD1  TYR  20           HD1      TYR  20  11.905   9.858  10.253
  170    HD2  TYR  20           HD2      TYR  20  15.254   9.601   7.653
  171    HE1  TYR  20           HE1      TYR  20  11.249  11.981   9.210
  172    HE2  TYR  20           HE2      TYR  20  14.608  11.731   6.606
  173    HH   TYR  20           HH       TYR  20  12.349  13.819   7.976
  174    H    GLU  21           H        GLU  21  13.199   8.373  12.070
  175    HA   GLU  21           HA       GLU  21  13.692  10.310  14.029
  176   1HB   GLU  21          2HB       GLU  21  12.484   7.591  14.643
  177   2HB   GLU  21          1HB       GLU  21  12.348   9.019  15.650
  178   1HG   GLU  21          2HG       GLU  21  10.305   8.941  14.597
  179   2HG   GLU  21          1HG       GLU  21  11.191  10.073  13.589
  180    H    LEU  22           H        LEU  22  14.570   9.748  16.753
  181    HA   LEU  22           HA       LEU  22  15.947   9.223  17.951
  182   1HB   LEU  22          2HB       LEU  22  16.123   6.689  16.319
  183   2HB   LEU  22          1HB       LEU  22  17.173   6.978  17.688
  184    HG   LEU  22           HG       LEU  22  15.172   7.084  19.161
  185   1HD1  LEU  22          1HD1      LEU  22  13.029   6.223  18.355
  186   2HD1  LEU  22          2HD1      LEU  22  13.662   6.229  16.702
  187   3HD1  LEU  22          3HD1      LEU  22  13.478   7.744  17.584
  188   1HD2  LEU  22          1HD2      LEU  22  15.495   4.561  17.551
  189   2HD2  LEU  22          2HD2      LEU  22  14.705   4.677  19.126
  190   3HD2  LEU  22          3HD2      LEU  22  16.425   5.033  18.975
  191    H    SER  23           H        SER  23  17.295   9.171  14.746
  192    HA   SER  23           HA       SER  23  19.738   9.842  15.759
  193   1HB   SER  23          2HB       SER  23  18.481  10.491  13.088
  194   2HB   SER  23          1HB       SER  23  20.211  10.584  13.448
  195    HG   SER  23           HG       SER  23  18.640   8.410  12.903
  196    H    THR  24           H        THR  24  16.870  11.729  14.916
  197    HA   THR  24           HA       THR  24  18.162  14.235  15.584
  198    HB   THR  24           HB       THR  24  15.795  15.039  14.819
  199    HG1  THR  24           HG1      THR  24  15.293  13.131  13.158
  200   1HG2  THR  24          1HG2      THR  24  16.484  14.943  12.462
  201   2HG2  THR  24          2HG2      THR  24  17.664  13.693  12.850
  202   3HG2  THR  24          3HG2      THR  24  17.874  15.324  13.482
  203    H    ARG  25           H        ARG  25  14.770  13.352  16.110
  204    HA   ARG  25           HA       ARG  25  13.590  12.714  17.851
  205   1HB   ARG  25          2HB       ARG  25  15.960  13.323  19.638
  206   2HB   ARG  25          1HB       ARG  25  14.393  12.846  20.257
  207   1HG   ARG  25          2HG       ARG  25  14.607  10.710  19.061
  208   2HG   ARG  25          1HG       ARG  25  16.201  11.222  18.499
  209   1HD   ARG  25          2HD       ARG  25  16.465   9.787  20.426
  210   2HD   ARG  25          1HD       ARG  25  16.925  11.436  20.850
  211    HE   ARG  25           HE       ARG  25  14.199  10.964  21.440
  212   1HH1  ARG  25          1HH1      ARG  25  17.463  10.299  22.685
  213   2HH1  ARG  25          2HH1      ARG  25  16.955  10.003  24.272
  214   1HH2  ARG  25          1HH2      ARG  25  13.512  10.632  23.703
  215   2HH2  ARG  25          2HH2      ARG  25  14.691  10.246  24.863
  216    H    ASP  26           H        ASP  26  15.433  15.267  19.385
  217    HA   ASP  26           HA       ASP  26  13.092  16.690  20.087
  218   1HB   ASP  26          2HB       ASP  26  15.957  17.379  20.433
  219   2HB   ASP  26          1HB       ASP  26  14.694  18.571  20.734
  220    H    GLU  27           H        GLU  27  11.910  17.587  19.189
  221    HA   GLU  27           HA       GLU  27  10.663  19.354  18.120
  222   1HB   GLU  27          2HB       GLU  27  13.358  20.589  17.479
  223   2HB   GLU  27          1HB       GLU  27  11.794  21.392  17.418
  224   1HG   GLU  27          2HG       GLU  27  13.305  20.495  19.861
  225   2HG   GLU  27          1HG       GLU  27  12.881  22.139  19.399
  226    H    PHE  28           H        PHE  28  12.629  17.329  16.545
  227    HA   PHE  28           HA       PHE  28  11.231  17.308  13.961
  228   1HB   PHE  28          2HB       PHE  28  13.640  16.688  14.514
  229   2HB   PHE  28          1HB       PHE  28  12.995  15.483  15.603
  230    HD1  PHE  28           HD1      PHE  28  13.463  16.450  12.109
  231    HD2  PHE  28           HD2      PHE  28  12.064  13.435  14.763
  232    HE1  PHE  28           HE1      PHE  28  13.437  14.833  10.272
  233    HE2  PHE  28           HE2      PHE  28  12.041  11.823  12.920
  234    HZ   PHE  28           HZ       PHE  28  12.735  12.525  10.680
  235    H    TYR  29           H        TYR  29  10.319  16.853  17.091
  236    HA   TYR  29           HA       TYR  29   9.652  14.226  17.508
  237   1HB   TYR  29          2HB       TYR  29   9.756  15.810  19.268
  238   2HB   TYR  29          1HB       TYR  29   8.407  16.716  18.615
  239    HD1  TYR  29           HD1      TYR  29   9.353  13.572  20.350
  240    HD2  TYR  29           HD2      TYR  29   6.163  16.113  19.125
  241    HE1  TYR  29           HE1      TYR  29   7.797  12.337  21.814
  242    HE2  TYR  29           HE2      TYR  29   4.612  14.888  20.569
  243    HH   TYR  29           HH       TYR  29   5.647  12.793  22.965
  244    H    ARG  30           H        ARG  30   7.197  16.614  16.531
  245    HA   ARG  30           HA       ARG  30   5.084  15.025  16.558
  246   1HB   ARG  30          2HB       ARG  30   4.939  17.406  16.174
  247   2HB   ARG  30          1HB       ARG  30   5.351  17.142  14.483
  248   1HG   ARG  30          2HG       ARG  30   2.976  17.500  14.710
  249   2HG   ARG  30          1HG       ARG  30   3.312  15.862  14.162
  250   1HD   ARG  30          2HD       ARG  30   2.787  16.533  17.064
  251   2HD   ARG  30          1HD       ARG  30   1.498  16.104  15.950
  252    HE   ARG  30           HE       ARG  30   3.564  14.153  15.929
  253   1HH1  ARG  30          1HH1      ARG  30   0.649  15.103  17.696
  254   2HH1  ARG  30          2HH1      ARG  30   0.516  13.639  18.536
  255   1HH2  ARG  30          1HH2      ARG  30   3.408  12.151  17.121
  256   2HH2  ARG  30          2HH2      ARG  30   2.109  11.929  18.201
  257    H    VAL  31           H        VAL  31   7.230  14.928  13.858
  258    HA   VAL  31           HA       VAL  31   7.446  13.531  12.088
  259    HB   VAL  31           HB       VAL  31   5.688  11.676  13.710
  260   1HG1  VAL  31          1HG1      VAL  31   7.456  11.036  11.346
  261   2HG1  VAL  31          2HG1      VAL  31   5.689  10.972  11.382
  262   3HG1  VAL  31          3HG1      VAL  31   6.630   9.851  12.362
  263   1HG2  VAL  31          1HG2      VAL  31   8.687  11.835  13.416
  264   2HG2  VAL  31          2HG2      VAL  31   7.804  10.645  14.380
  265   3HG2  VAL  31          3HG2      VAL  31   7.752  12.351  14.819
  266    H    PHE  32           H        PHE  32   3.760  12.799  12.530
  267    HA   PHE  32           HA       PHE  32   2.679  12.020  11.063
  268   1HB   PHE  32          2HB       PHE  32   2.628  14.954  10.428
  269   2HB   PHE  32          1HB       PHE  32   1.556  13.880   9.553
  270    HD1  PHE  32           HD1      PHE  32   2.058  15.776  12.517
  271    HD2  PHE  32           HD2      PHE  32  -0.060  12.472  10.900
  272    HE1  PHE  32           HE1      PHE  32   0.400  15.948  14.332
  273    HE2  PHE  32           HE2      PHE  32  -1.709  12.634  12.709
  274    HZ   PHE  32           HZ       PHE  32  -1.479  14.373  14.430
  275    H    ILE  33           H        ILE  33   3.287  10.537   9.785
  276    HA   ILE  33           HA       ILE  33   4.229  11.215   7.069
  277    HB   ILE  33           HB       ILE  33   5.472   9.063   7.063
  278   1HG1  ILE  33          2HG1      ILE  33   4.744   8.871  10.001
  279   2HG1  ILE  33          1HG1      ILE  33   4.048   7.885   8.729
  280   1HG2  ILE  33          1HG2      ILE  33   7.295   9.650   8.618
  281   2HG2  ILE  33          2HG2      ILE  33   6.251  10.874   9.343
  282   3HG2  ILE  33          3HG2      ILE  33   6.742  11.018   7.658
  283   1HD1  ILE  33          1HD1      ILE  33   6.224   6.889   8.305
  284   2HD1  ILE  33          2HD1      ILE  33   5.762   6.690   9.995
  285   3HD1  ILE  33          3HD1      ILE  33   6.944   7.920   9.534
  286    H    ASN  34           H        ASN  34   3.206   9.423   5.238
  287    HA   ASN  34           HA       ASN  34   1.103   8.130   6.565
  288   1HB   ASN  34          2HB       ASN  34   0.586  10.199   4.979
  289   2HB   ASN  34          1HB       ASN  34   0.884   8.974   3.740
  290   1HD2  ASN  34          1HD2      ASN  34  -1.261  10.133   6.068
  291   2HD2  ASN  34          2HD2      ASN  34  -2.523   8.990   5.850
  292    HA   PRO  35           HA       PRO  35   3.647   5.128   4.283
  293   1HB   PRO  35          2HB       PRO  35   4.047   3.428   6.307
  294   2HB   PRO  35          1HB       PRO  35   4.979   4.920   6.189
  295   1HG   PRO  35          2HG       PRO  35   2.833   4.194   8.070
  296   2HG   PRO  35          1HG       PRO  35   4.106   5.411   8.237
  297   1HD   PRO  35          2HD       PRO  35   1.360   5.784   7.455
  298   2HD   PRO  35          1HD       PRO  35   2.614   7.020   7.660
  299    H    TYR  36           H        TYR  36   0.732   5.329   4.187
  300    HA   TYR  36           HA       TYR  36   0.023   2.543   4.461
  301   1HB   TYR  36          2HB       TYR  36  -0.737   3.867   6.380
  302   2HB   TYR  36          1HB       TYR  36  -1.585   4.941   5.283
  303    HD1  TYR  36           HD1      TYR  36  -1.471   1.505   6.613
  304    HD2  TYR  36           HD2      TYR  36  -3.744   4.391   4.483
  305    HE1  TYR  36           HE1      TYR  36  -3.464   0.096   6.837
  306    HE2  TYR  36           HE2      TYR  36  -5.746   2.984   4.697
  307    HH   TYR  36           HH       TYR  36  -6.322   0.740   5.084
  308    H    ALA  37           H        ALA  37  -1.049   5.794   3.364
  309    HA   ALA  37           HA       ALA  37  -2.806   4.741   1.409
  310   1HB   ALA  37          1HB       ALA  37  -2.037   7.604   1.851
  311   2HB   ALA  37          2HB       ALA  37  -3.281   6.741   2.750
  312   3HB   ALA  37          3HB       ALA  37  -3.465   6.996   1.015
  313    H    LYS  38           H        LYS  38   0.629   4.867   0.973
  314    HA   LYS  38           HA       LYS  38   1.893   4.891  -0.734
  315   1HB   LYS  38          2HB       LYS  38  -0.634   4.930  -2.408
  316   2HB   LYS  38          1HB       LYS  38   0.976   4.553  -2.983
  317   1HG   LYS  38          2HG       LYS  38  -0.594   2.886  -1.023
  318   2HG   LYS  38          1HG       LYS  38  -0.551   2.613  -2.759
  319   1HD   LYS  38          2HD       LYS  38   1.930   2.323  -2.559
  320   2HD   LYS  38          1HD       LYS  38   1.734   2.390  -0.801
  321   1HE   LYS  38          2HE       LYS  38   0.247   0.477  -0.857
  322   2HE   LYS  38          1HE       LYS  38   0.308   0.451  -2.612
  323   1HZ   LYS  38          1HZ       LYS  38   2.679  -0.105  -2.466
  324   2HZ   LYS  38          2HZ       LYS  38   1.731  -1.231  -1.658
  325   3HZ   LYS  38          3HZ       LYS  38   2.593  -0.097  -0.782
  326    H    VAL  39           H        VAL  39   0.824   7.521   0.485
  327    HA   VAL  39           HA       VAL  39   1.988   9.115  -1.327
  328    HB   VAL  39           HB       VAL  39  -0.071  10.832  -1.377
  329   1HG1  VAL  39          1HG1      VAL  39   0.997  10.048  -3.386
  330   2HG1  VAL  39          2HG1      VAL  39  -0.754  10.045  -3.590
  331   3HG1  VAL  39          3HG1      VAL  39   0.106   8.530  -3.298
  332   1HG2  VAL  39          1HG2      VAL  39  -2.243   9.710  -1.742
  333   2HG2  VAL  39          2HG2      VAL  39  -1.640   9.486  -0.102
  334   3HG2  VAL  39          3HG2      VAL  39  -1.509   8.174  -1.271
  335    H    ALA  40           H        ALA  40   3.160   9.292   0.955
  336    HA   ALA  40           HA       ALA  40   1.786  10.609   3.035
  337   1HB   ALA  40          1HB       ALA  40   3.948  10.369   3.998
  338   2HB   ALA  40          2HB       ALA  40   4.561   9.731   2.469
  339   3HB   ALA  40          3HB       ALA  40   3.353   8.825   3.378
  340    H    GLU  41           H        GLU  41   2.125  12.489   3.756
  341    HA   GLU  41           HA       GLU  41   4.023  14.278   2.528
  342   1HB   GLU  41          2HB       GLU  41   2.448  16.072   3.049
  343   2HB   GLU  41          1HB       GLU  41   1.689  14.960   1.933
  344   1HG   GLU  41          2HG       GLU  41   1.187  14.921   4.905
  345   2HG   GLU  41          1HG       GLU  41   0.232  15.874   3.776
  346    H    VAL  42           H        VAL  42   5.368  15.122   4.170
  347    HA   VAL  42           HA       VAL  42   4.671  14.529   7.004
  348    HB   VAL  42           HB       VAL  42   7.404  14.590   5.769
  349   1HG1  VAL  42          1HG1      VAL  42   6.471  13.424   8.361
  350   2HG1  VAL  42          2HG1      VAL  42   7.311  14.958   8.115
  351   3HG1  VAL  42          3HG1      VAL  42   8.138  13.436   7.779
  352   1HG2  VAL  42          1HG2      VAL  42   7.600  12.120   5.835
  353   2HG2  VAL  42          2HG2      VAL  42   6.465  12.721   4.626
  354   3HG2  VAL  42          3HG2      VAL  42   5.861  12.031   6.127
  355    H    VAL  43           H        VAL  43   3.998  15.806   7.883
  356    HA   VAL  43           HA       VAL  43   5.333  18.211   7.445
  357    HB   VAL  43           HB       VAL  43   2.733  17.840   8.976
  358   1HG1  VAL  43          1HG1      VAL  43   3.724  19.837   9.840
  359   2HG1  VAL  43          2HG1      VAL  43   2.332  20.242   8.835
  360   3HG1  VAL  43          3HG1      VAL  43   3.966  20.461   8.207
  361   1HG2  VAL  43          1HG2      VAL  43   1.651  18.829   7.006
  362   2HG2  VAL  43          2HG2      VAL  43   2.540  17.355   6.617
  363   3HG2  VAL  43          3HG2      VAL  43   3.228  18.925   6.215
  364    H    ILE  44           H        ILE  44   7.041  18.771   9.027
  365    HA   ILE  44           HA       ILE  44   6.655  18.173  11.827
  366    HB   ILE  44           HB       ILE  44   9.066  17.592  11.925
  367   1HG1  ILE  44          2HG1      ILE  44   8.913  17.479   8.908
  368   2HG1  ILE  44          1HG1      ILE  44   9.803  18.658   9.862
  369   1HG2  ILE  44          1HG2      ILE  44   7.468  15.716  10.234
  370   2HG2  ILE  44          2HG2      ILE  44   7.524  15.783  11.994
  371   3HG2  ILE  44          3HG2      ILE  44   8.959  15.307  11.081
  372   1HD1  ILE  44          1HD1      ILE  44  11.260  16.875  10.686
  373   2HD1  ILE  44          2HD1      ILE  44  11.276  16.975   8.927
  374   3HD1  ILE  44          3HD1      ILE  44  10.354  15.703   9.730
  375    H    ASP  45           H        ASP  45   7.519  19.590  13.136
  376    HA   ASP  45           HA       ASP  45   7.941  22.184  12.071
  377   1HB   ASP  45          2HB       ASP  45   8.348  21.189  14.883
  378   2HB   ASP  45          1HB       ASP  45   8.531  22.870  14.390
  379    H    ASP  46           H        ASP  46  10.029  19.582  12.985
  380    HA   ASP  46           HA       ASP  46  12.240  19.994  13.757
  381   1HB   ASP  46          2HB       ASP  46  12.407  18.156  12.288
  382   2HB   ASP  46          1HB       ASP  46  11.841  19.086  10.914
  383    H    SER  47           H        SER  47  12.931  21.371  14.881
  384    HA   SER  47           HA       SER  47  13.962  23.214  13.215
  385   1HB   SER  47          2HB       SER  47  13.886  24.782  15.368
  386   2HB   SER  47          1HB       SER  47  12.390  24.503  14.476
  387    HG   SER  47           HG       SER  47  11.726  23.916  16.395
  388    H    LYS  48           H        LYS  48  15.152  21.579  13.134
  389    HA   LYS  48           HA       LYS  48  17.651  21.492  14.723
  390   1HB   LYS  48          2HB       LYS  48  16.551  19.204  14.953
  391   2HB   LYS  48          1HB       LYS  48  16.463  19.126  13.197
  392   1HG   LYS  48          2HG       LYS  48  18.335  17.841  13.872
  393   2HG   LYS  48          1HG       LYS  48  18.946  19.321  13.139
  394   1HD   LYS  48          2HD       LYS  48  19.245  20.266  15.414
  395   2HD   LYS  48          1HD       LYS  48  18.733  18.717  16.088
  396   1HE   LYS  48          2HE       LYS  48  21.143  19.257  14.370
  397   2HE   LYS  48          1HE       LYS  48  21.131  18.796  16.067
  398   1HZ   LYS  48          1HZ       LYS  48  20.247  17.130  13.776
  399   2HZ   LYS  48          2HZ       LYS  48  20.133  16.671  15.398
  400   3HZ   LYS  48          3HZ       LYS  48  21.635  16.909  14.686
  401    H    VAL  49           H        VAL  49  16.181  20.482  11.648
  402    HA   VAL  49           HA       VAL  49  15.767  22.124   9.999
  403    HB   VAL  49           HB       VAL  49  18.493  23.308  10.638
  404   1HG1  VAL  49          1HG1      VAL  49  18.023  23.346   8.201
  405   2HG1  VAL  49          2HG1      VAL  49  17.975  24.964   8.896
  406   3HG1  VAL  49          3HG1      VAL  49  16.471  24.123   8.523
  407   1HG2  VAL  49          1HG2      VAL  49  17.220  25.312  11.209
  408   2HG2  VAL  49          2HG2      VAL  49  16.699  23.943  12.196
  409   3HG2  VAL  49          3HG2      VAL  49  15.717  24.473  10.831
  410    H    ASN  50           H        ASN  50  15.751  19.898   9.498
  411    HA   ASN  50           HA       ASN  50  15.955  18.273   8.081
  412   1HB   ASN  50          2HB       ASN  50  16.264  18.735   5.733
  413   2HB   ASN  50          1HB       ASN  50  15.318  19.993   6.504
  414   1HD2  ASN  50          1HD2      ASN  50  18.253  19.211   4.861
  415   2HD2  ASN  50          2HD2      ASN  50  18.800  20.834   4.650
  416    H    ILE  51           H        ILE  51  18.994  19.798   8.187
  417    HA   ILE  51           HA       ILE  51  20.727  18.589   6.779
  418    HB   ILE  51           HB       ILE  51  21.546  20.092   8.340
  419   1HG1  ILE  51          2HG1      ILE  51  22.985  17.505   8.943
  420   2HG1  ILE  51          1HG1      ILE  51  23.181  18.431   7.460
  421   1HG2  ILE  51          1HG2      ILE  51  21.062  18.113  10.552
  422   2HG2  ILE  51          2HG2      ILE  51  20.153  19.592  10.231
  423   3HG2  ILE  51          3HG2      ILE  51  21.845  19.685  10.710
  424   1HD1  ILE  51          1HD1      ILE  51  23.816  19.415  10.229
  425   2HD1  ILE  51          2HD1      ILE  51  24.065  20.297   8.719
  426   3HD1  ILE  51          3HD1      ILE  51  24.980  18.825   9.048
  427    H    GLU  52           H        GLU  52  20.467  16.644   9.846
  428    HA   GLU  52           HA       GLU  52  21.490  14.610   8.310
  429   1HB   GLU  52          2HB       GLU  52  21.177  12.933  10.229
  430   2HB   GLU  52          1HB       GLU  52  22.239  14.300  10.467
  431   1HG   GLU  52          2HG       GLU  52  19.400  14.351  11.390
  432   2HG   GLU  52          1HG       GLU  52  20.672  13.597  12.354
  433    H    GLU  53           H        GLU  53  18.284  15.329   9.069
  434    HA   GLU  53           HA       GLU  53  17.249  12.744   8.331
  435   1HB   GLU  53          2HB       GLU  53  14.959  13.681   8.430
  436   2HB   GLU  53          1HB       GLU  53  15.880  14.057   9.868
  437   1HG   GLU  53          2HG       GLU  53  14.951  16.096   9.558
  438   2HG   GLU  53          1HG       GLU  53  16.320  16.282   8.469
  439    H    LEU  54           H        LEU  54  17.862  15.617   6.557
  440    HA   LEU  54           HA       LEU  54  16.757  14.808   4.080
  441   1HB   LEU  54          2HB       LEU  54  17.570  17.136   4.717
  442   2HB   LEU  54          1HB       LEU  54  19.205  16.553   4.557
  443    HG   LEU  54           HG       LEU  54  18.466  17.961   2.656
  444   1HD1  LEU  54          1HD1      LEU  54  19.004  15.126   1.814
  445   2HD1  LEU  54          2HD1      LEU  54  20.214  16.332   2.239
  446   3HD1  LEU  54          3HD1      LEU  54  19.197  16.568   0.816
  447   1HD2  LEU  54          1HD2      LEU  54  16.113  17.380   2.636
  448   2HD2  LEU  54          2HD2      LEU  54  16.506  15.744   2.099
  449   3HD2  LEU  54          3HD2      LEU  54  16.837  17.119   1.052
  450    H    LYS  55           H        LYS  55  19.664  14.244   5.727
  451    HA   LYS  55           HA       LYS  55  21.153  12.510   3.745
  452   1HB   LYS  55          2HB       LYS  55  22.534  13.729   5.348
  453   2HB   LYS  55          1HB       LYS  55  21.416  13.373   6.644
  454   1HG   LYS  55          2HG       LYS  55  23.396  12.099   6.962
  455   2HG   LYS  55          1HG       LYS  55  22.089  11.017   6.525
  456   1HD   LYS  55          2HD       LYS  55  22.981  10.860   4.263
  457   2HD   LYS  55          1HD       LYS  55  24.287  11.977   4.703
  458   1HE   LYS  55          2HE       LYS  55  25.017   9.625   4.855
  459   2HE   LYS  55          1HE       LYS  55  25.067  10.452   6.412
  460   1HZ   LYS  55          1HZ       LYS  55  22.822   9.372   6.896
  461   2HZ   LYS  55          2HZ       LYS  55  24.104   8.318   6.766
  462   3HZ   LYS  55          3HZ       LYS  55  23.053   8.471   5.493
  463    H    GLU  56           H        GLU  56  19.223  11.694   6.525
  464    HA   GLU  56           HA       GLU  56  19.421   9.099   5.685
  465   1HB   GLU  56          2HB       GLU  56  17.235  10.365   7.323
  466   2HB   GLU  56          1HB       GLU  56  17.471   8.624   7.151
  467   1HG   GLU  56          2HG       GLU  56  19.346  10.614   8.429
  468   2HG   GLU  56          1HG       GLU  56  18.482   9.298   9.216
  469    H    LYS  57           H        LYS  57  17.179  11.480   4.615
  470    HA   LYS  57           HA       LYS  57  15.508   9.906   3.063
  471   1HB   LYS  57          2HB       LYS  57  16.603  12.517   1.906
  472   2HB   LYS  57          1HB       LYS  57  15.181  11.717   1.310
  473   1HG   LYS  57          2HG       LYS  57  15.456  13.059   3.980
  474   2HG   LYS  57          1HG       LYS  57  14.734  13.774   2.547
  475   1HD   LYS  57          2HD       LYS  57  13.145  11.742   2.634
  476   2HD   LYS  57          1HD       LYS  57  13.715  11.578   4.302
  477   1HE   LYS  57          2HE       LYS  57  12.378  13.977   3.055
  478   2HE   LYS  57          1HE       LYS  57  11.739  12.944   4.324
  479   1HZ   LYS  57          1HZ       LYS  57  14.216  14.565   4.698
  480   2HZ   LYS  57          2HZ       LYS  57  13.222  13.872   5.888
  481   3HZ   LYS  57          3HZ       LYS  57  12.695  15.158   4.964
  482    H    LEU  58           H        LEU  58  18.606  10.550   2.610
  483    HA   LEU  58           HA       LEU  58  19.077   9.604  -0.249
  484   1HB   LEU  58          2HB       LEU  58  21.027  10.360   1.919
  485   2HB   LEU  58          1HB       LEU  58  21.500   9.468   0.492
  486    HG   LEU  58           HG       LEU  58  20.874  11.392  -0.918
  487   1HD1  LEU  58          1HD1      LEU  58  19.129  12.369   0.448
  488   2HD1  LEU  58          2HD1      LEU  58  20.378  13.549   0.056
  489   3HD1  LEU  58          3HD1      LEU  58  20.322  12.823   1.663
  490   1HD2  LEU  58          1HD2      LEU  58  22.678  12.881  -0.220
  491   2HD2  LEU  58          2HD2      LEU  58  23.141  11.183  -0.157
  492   3HD2  LEU  58          3HD2      LEU  58  22.752  12.047   1.332
  493    H    LYS  59           H        LYS  59  18.362   7.697   2.415
  494    HA   LYS  59           HA       LYS  59  19.381   5.287   1.017
  495   1HB   LYS  59          2HB       LYS  59  16.623   5.421   2.134
  496   2HB   LYS  59          1HB       LYS  59  17.775   4.108   2.244
  497   1HG   LYS  59          2HG       LYS  59  17.680   6.583   3.932
  498   2HG   LYS  59          1HG       LYS  59  17.228   4.958   4.411
  499   1HD   LYS  59          2HD       LYS  59  19.534   4.248   4.198
  500   2HD   LYS  59          1HD       LYS  59  19.989   5.876   3.665
  501   1HE   LYS  59          2HE       LYS  59  19.091   6.804   5.748
  502   2HE   LYS  59          1HE       LYS  59  18.702   5.187   6.299
  503   1HZ   LYS  59          1HZ       LYS  59  20.672   6.114   7.235
  504   2HZ   LYS  59          2HZ       LYS  59  21.435   6.202   5.736
  505   3HZ   LYS  59          3HZ       LYS  59  21.054   4.681   6.424
  506    H    GLY  60           H        GLY  60  16.649   7.284   0.270
  507   1HA   GLY  60          2HA       GLY  60  15.390   7.267  -1.592
  508   2HA   GLY  60          1HA       GLY  60  16.920   6.999  -2.384
  509    H    GLU  61           H        GLU  61  14.699   4.871  -0.459
  510    HA   GLU  61           HA       GLU  61  14.855   3.031  -2.725
  511   1HB   GLU  61          2HB       GLU  61  14.120   2.528   0.193
  512   2HB   GLU  61          1HB       GLU  61  14.281   1.288  -1.038
  513   1HG   GLU  61          2HG       GLU  61  16.686   1.713  -1.112
  514   2HG   GLU  61          1HG       GLU  61  16.497   2.953   0.132
  515    H    VAL  62           H        VAL  62  12.205   2.746  -3.353
  516    HA   VAL  62           HA       VAL  62  10.119   1.876  -2.100
  517    HB   VAL  62           HB       VAL  62   9.586   2.446  -0.034
  518   1HG1  VAL  62          1HG1      VAL  62  12.362   1.511  -0.075
  519   2HG1  VAL  62          2HG1      VAL  62  10.848   0.609  -0.040
  520   3HG1  VAL  62          3HG1      VAL  62  11.364   1.531   1.371
  521   1HG2  VAL  62          1HG2      VAL  62  10.294   4.777   0.347
  522   2HG2  VAL  62          2HG2      VAL  62  11.980   4.273   0.379
  523   3HG2  VAL  62          3HG2      VAL  62  10.880   3.746   1.655
  524    H    ILE  63           H        ILE  63  11.415   4.281  -3.261
  525    HA   ILE  63           HA       ILE  63  10.669   6.420  -4.773
  526    HB   ILE  63           HB       ILE  63   7.945   5.849  -3.486
  527   1HG1  ILE  63          2HG1      ILE  63   8.888   4.700  -6.133
  528   2HG1  ILE  63          1HG1      ILE  63   8.704   3.772  -4.651
  529   1HG2  ILE  63          1HG2      ILE  63   8.729   7.146  -6.126
  530   2HG2  ILE  63          2HG2      ILE  63   8.305   8.022  -4.660
  531   3HG2  ILE  63          3HG2      ILE  63   7.092   7.034  -5.475
  532   1HD1  ILE  63          1HD1      ILE  63   6.840   3.438  -6.171
  533   2HD1  ILE  63          2HD1      ILE  63   6.506   5.169  -6.154
  534   3HD1  ILE  63          3HD1      ILE  63   6.309   4.218  -4.681
  535    H    GLU  64           H        GLU  64  11.648   6.073  -2.133
  536    HA   GLU  64           HA       GLU  64  11.282   8.776  -1.053
  537   1HB   GLU  64          2HB       GLU  64  11.949   6.802   0.341
  538   2HB   GLU  64          1HB       GLU  64  13.466   6.732  -0.522
  539   1HG   GLU  64          2HG       GLU  64  14.031   8.974   0.357
  540   2HG   GLU  64          1HG       GLU  64  12.527   8.965   1.271
  541    H    GLU  65           H        GLU  65  11.768   8.926  -3.748
  542    HA   GLU  65           HA       GLU  65  14.415   9.236  -4.705
  543   1HB   GLU  65          2HB       GLU  65  11.801  10.469  -5.556
  544   2HB   GLU  65          1HB       GLU  65  13.300  10.701  -6.427
  545   1HG   GLU  65          2HG       GLU  65  12.035   8.024  -5.911
  546   2HG   GLU  65          1HG       GLU  65  11.796   8.975  -7.377
  547    H    LYS  66           H        LYS  66  12.339  11.218  -3.080
  548    HA   LYS  66           HA       LYS  66  14.093  13.398  -2.325
  549   1HB   LYS  66          2HB       LYS  66  13.306  15.167  -3.830
  550   2HB   LYS  66          1HB       LYS  66  14.044  13.850  -4.739
  551   1HG   LYS  66          2HG       LYS  66  11.813  12.964  -5.246
  552   2HG   LYS  66          1HG       LYS  66  11.094  14.305  -4.372
  553   1HD   LYS  66          2HD       LYS  66  10.959  14.750  -6.731
  554   2HD   LYS  66          1HD       LYS  66  12.120  15.861  -6.023
  555   1HE   LYS  66          2HE       LYS  66  12.987  13.293  -7.302
  556   2HE   LYS  66          1HE       LYS  66  12.681  14.724  -8.276
  557   1HZ   LYS  66          1HZ       LYS  66  14.762  14.442  -6.133
  558   2HZ   LYS  66          2HZ       LYS  66  14.368  15.877  -6.895
  559   3HZ   LYS  66          3HZ       LYS  66  14.982  14.612  -7.794
  560    H    GLU  67           H        GLU  67  12.606  15.532  -1.987
  561    HA   GLU  67           HA       GLU  67  10.210  14.589  -0.745
  562   1HB   GLU  67          2HB       GLU  67  10.692  16.465   0.950
  563   2HB   GLU  67          1HB       GLU  67  11.492  14.909   1.135
  564   1HG   GLU  67          2HG       GLU  67  13.532  15.818   0.271
  565   2HG   GLU  67          1HG       GLU  67  12.712  17.311  -0.181
  566    H    ILE  68           H        ILE  68   8.512  15.838  -1.855
  567    HA   ILE  68           HA       ILE  68   8.603  18.465  -3.066
  568    HB   ILE  68           HB       ILE  68   6.536  16.835  -2.816
  569   1HG1  ILE  68          2HG1      ILE  68   4.987  18.793  -2.585
  570   2HG1  ILE  68          1HG1      ILE  68   6.388  19.777  -2.184
  571   1HG2  ILE  68          1HG2      ILE  68   6.788  16.427  -0.436
  572   2HG2  ILE  68          2HG2      ILE  68   5.214  17.088  -0.855
  573   3HG2  ILE  68          3HG2      ILE  68   6.425  18.126  -0.117
  574   1HD1  ILE  68          1HD1      ILE  68   7.337  19.331  -4.374
  575   2HD1  ILE  68          2HD1      ILE  68   5.713  19.999  -4.513
  576   3HD1  ILE  68          3HD1      ILE  68   5.980  18.274  -4.746
  577    H    THR  69           H        THR  69   7.958  18.854   0.245
  578    HA   THR  69           HA       THR  69   8.927  21.001   1.351
  579    HB   THR  69           HB       THR  69  10.903  20.940  -0.876
  580    HG1  THR  69           HG1      THR  69  11.922  19.374   1.103
  581   1HG2  THR  69          1HG2      THR  69  11.147  21.394   2.115
  582   2HG2  THR  69          2HG2      THR  69  10.928  22.665   0.914
  583   3HG2  THR  69          3HG2      THR  69  12.409  21.706   0.926
  584    H    LEU  70           H        LEU  70   8.511  21.364  -2.127
  585    HA   LEU  70           HA       LEU  70   8.034  24.020  -2.342
  586   1HB   LEU  70          2HB       LEU  70   7.981  22.296  -4.019
  587   2HB   LEU  70          1HB       LEU  70   6.475  21.705  -3.377
  588    HG   LEU  70           HG       LEU  70   5.510  23.993  -3.833
  589   1HD1  LEU  70          1HD1      LEU  70   7.534  25.271  -3.958
  590   2HD1  LEU  70          2HD1      LEU  70   6.665  25.366  -5.488
  591   3HD1  LEU  70          3HD1      LEU  70   8.080  24.325  -5.341
  592   1HD2  LEU  70          1HD2      LEU  70   5.220  23.567  -6.222
  593   2HD2  LEU  70          2HD2      LEU  70   5.049  22.095  -5.269
  594   3HD2  LEU  70          3HD2      LEU  70   6.536  22.398  -6.173
  595    H    GLN  71           H        GLN  71   5.319  21.997  -2.149
  596    HA   GLN  71           HA       GLN  71   4.013  23.522  -0.035
  597   1HB   GLN  71          2HB       GLN  71   4.190  25.144  -1.901
  598   2HB   GLN  71          1HB       GLN  71   3.189  24.105  -2.887
  599   1HG   GLN  71          2HG       GLN  71   1.875  25.944  -2.078
  600   2HG   GLN  71          1HG       GLN  71   1.325  24.465  -1.294
  601   1HE2  GLN  71          1HE2      GLN  71   0.421  25.664   0.395
  602   2HE2  GLN  71          2HE2      GLN  71   1.400  26.398   1.603
  603    H    GLU  72           H        GLU  72   1.887  23.244   0.111
  604    HA   GLU  72           HA       GLU  72   0.651  20.601   0.114
  605   1HB   GLU  72          2HB       GLU  72   0.763  22.008   2.013
  606   2HB   GLU  72          1HB       GLU  72   0.004  23.325   1.153
  607   1HG   GLU  72          2HG       GLU  72  -1.519  22.199   2.732
  608   2HG   GLU  72          1HG       GLU  72  -2.097  22.123   1.078
  609    H    LEU  73           H        LEU  73   0.217  21.259  -3.143
  610    HA   LEU  73           HA       LEU  73  -1.794  22.824  -2.736
  611   1HB   LEU  73          2HB       LEU  73  -1.102  24.123  -4.831
  612   2HB   LEU  73          1HB       LEU  73  -0.261  24.502  -3.359
  613    HG   LEU  73           HG       LEU  73   1.663  23.035  -4.281
  614   1HD1  LEU  73          1HD1      LEU  73   1.808  22.816  -6.694
  615   2HD1  LEU  73          2HD1      LEU  73   0.184  23.470  -6.872
  616   3HD1  LEU  73          3HD1      LEU  73   0.422  21.916  -6.074
  617   1HD2  LEU  73          1HD2      LEU  73   0.926  25.589  -5.697
  618   2HD2  LEU  73          2HD2      LEU  73   2.537  24.877  -5.607
  619   3HD2  LEU  73          3HD2      LEU  73   1.749  25.466  -4.145
  620    H    ILE  74           H        ILE  74  -3.387  21.928  -4.163
  621    HA   ILE  74           HA       ILE  74  -2.814  20.630  -6.578
  622    HB   ILE  74           HB       ILE  74  -2.100  18.872  -4.803
  623   1HG1  ILE  74          2HG1      ILE  74  -2.479  18.220  -7.154
  624   2HG1  ILE  74          1HG1      ILE  74  -2.980  16.949  -6.056
  625   1HG2  ILE  74          1HG2      ILE  74  -3.848  17.500  -3.805
  626   2HG2  ILE  74          2HG2      ILE  74  -5.056  18.631  -4.405
  627   3HG2  ILE  74          3HG2      ILE  74  -3.865  19.164  -3.216
  628   1HD1  ILE  74          1HD1      ILE  74  -4.794  18.857  -7.523
  629   2HD1  ILE  74          2HD1      ILE  74  -5.316  17.590  -6.416
  630   3HD1  ILE  74          3HD1      ILE  74  -4.510  17.161  -7.925
  Start of MODEL    7
    1    H    SER   1           H        SER   1  10.309  20.585  13.888
    2    HA   SER   1           HA       SER   1   8.613  18.978  13.266
    3   1HB   SER   1          2HB       SER   1   6.986  21.460  12.690
    4   2HB   SER   1          1HB       SER   1   6.486  19.790  12.450
    5    HG   SER   1           HG       SER   1   7.103  19.765  14.958
    6    H    LYS   2           H        LYS   2   9.137  18.238  11.086
    7    HA   LYS   2           HA       LYS   2  10.285  20.138   9.259
    8   1HB   LYS   2          2HB       LYS   2  10.741  17.279   9.925
    9   2HB   LYS   2          1HB       LYS   2  11.383  18.094   8.498
   10   1HG   LYS   2          2HG       LYS   2  12.469  19.740   9.944
   11   2HG   LYS   2          1HG       LYS   2  11.864  18.872  11.355
   12   1HD   LYS   2          2HD       LYS   2  13.104  16.903  10.669
   13   2HD   LYS   2          1HD       LYS   2  13.698  17.772   9.250
   14   1HE   LYS   2          2HE       LYS   2  14.844  19.346  10.619
   15   2HE   LYS   2          1HE       LYS   2  14.140  18.671  12.086
   16   1HZ   LYS   2          1HZ       LYS   2  16.374  17.792  11.793
   17   2HZ   LYS   2          2HZ       LYS   2  15.950  17.223  10.231
   18   3HZ   LYS   2          3HZ       LYS   2  15.245  16.598  11.571
   19    H    TRP   3           H        TRP   3  10.037  18.925   7.014
   20    HA   TRP   3           HA       TRP   3   7.630  17.146   6.474
   21   1HB   TRP   3          2HB       TRP   3   7.372  19.824   6.116
   22   2HB   TRP   3          1HB       TRP   3   8.280  19.316   4.682
   23    HD1  TRP   3           HD1      TRP   3   4.937  18.836   6.414
   24    HE1  TRP   3           HE1      TRP   3   3.342  17.513   4.906
   25    HE3  TRP   3           HE3      TRP   3   8.181  17.564   2.672
   26    HZ2  TRP   3           HZ2      TRP   3   3.415  16.119   2.475
   27    HZ3  TRP   3           HZ3      TRP   3   7.326  16.225   0.793
   28    HH2  TRP   3           HH2      TRP   3   4.995  15.518   0.698
   29    H    ILE   4           H        ILE   4   8.315  15.463   5.865
   30    HA   ILE   4           HA       ILE   4  10.004  15.543   3.428
   31    HB   ILE   4           HB       ILE   4  11.414  13.708   4.029
   32   1HG1  ILE   4          2HG1      ILE   4  10.268  13.766   6.813
   33   2HG1  ILE   4          1HG1      ILE   4   9.840  12.586   5.561
   34   1HG2  ILE   4          1HG2      ILE   4  11.658  15.768   6.188
   35   2HG2  ILE   4          2HG2      ILE   4  12.352  15.842   4.570
   36   3HG2  ILE   4          3HG2      ILE   4  12.907  14.618   5.714
   37   1HD1  ILE   4          1HD1      ILE   4  12.141  11.776   5.567
   38   2HD1  ILE   4          2HD1      ILE   4  11.430  11.684   7.180
   39   3HD1  ILE   4          3HD1      ILE   4  12.558  12.983   6.781
   40    H    LYS   5           H        LYS   5   9.530  13.917   1.849
   41    HA   LYS   5           HA       LYS   5   7.427  12.246   2.791
   42   1HB   LYS   5          2HB       LYS   5   6.764  13.946   1.056
   43   2HB   LYS   5          1HB       LYS   5   7.986  13.265  -0.013
   44   1HG   LYS   5          2HG       LYS   5   6.830  11.082   0.093
   45   2HG   LYS   5          1HG       LYS   5   5.590  11.816   1.102
   46   1HD   LYS   5          2HD       LYS   5   5.011  13.333  -0.738
   47   2HD   LYS   5          1HD       LYS   5   6.257  12.580  -1.738
   48   1HE   LYS   5          2HE       LYS   5   5.112  10.416  -1.535
   49   2HE   LYS   5          1HE       LYS   5   3.865  11.169  -0.548
   50   1HZ   LYS   5          1HZ       LYS   5   3.256  12.539  -2.443
   51   2HZ   LYS   5          2HZ       LYS   5   3.152  10.913  -2.831
   52   3HZ   LYS   5          3HZ       LYS   5   4.455  11.819  -3.388
   53    H    PHE   6           H        PHE   6   7.462  10.360   2.061
   54    HA   PHE   6           HA       PHE   6   9.754   8.988   0.817
   55   1HB   PHE   6          2HB       PHE   6  10.075   9.130   3.411
   56   2HB   PHE   6          1HB       PHE   6   8.603   8.183   3.513
   57    HD1  PHE   6           HD1      PHE   6  12.011   8.168   2.099
   58    HD2  PHE   6           HD2      PHE   6   8.729   5.848   3.469
   59    HE1  PHE   6           HE1      PHE   6  13.390   6.147   1.961
   60    HE2  PHE   6           HE2      PHE   6  10.114   3.819   3.329
   61    HZ   PHE   6           HZ       PHE   6  12.439   3.968   2.577
   62    H    THR   7           H        THR   7   8.865   6.958  -0.180
   63    HA   THR   7           HA       THR   7   6.057   6.914   0.426
   64    HB   THR   7           HB       THR   7   7.324   6.146  -2.220
   65    HG1  THR   7           HG1      THR   7   6.648   8.502  -1.089
   66   1HG2  THR   7          1HG2      THR   7   5.029   6.257  -3.071
   67   2HG2  THR   7          2HG2      THR   7   4.444   6.661  -1.461
   68   3HG2  THR   7          3HG2      THR   7   5.138   5.073  -1.768
   69    H    THR   8           H        THR   8   5.283   4.927   1.308
   70    HA   THR   8           HA       THR   8   6.684   2.635   0.363
   71    HB   THR   8           HB       THR   8   6.246   1.666   2.843
   72    HG1  THR   8           HG1      THR   8   7.035   3.733   4.174
   73   1HG2  THR   8          1HG2      THR   8   8.412   1.588   1.734
   74   2HG2  THR   8          2HG2      THR   8   8.610   2.217   3.373
   75   3HG2  THR   8          3HG2      THR   8   8.624   3.319   1.991
   76    H    ASN   9           H        ASN   9   5.379   0.798  -0.466
   77    HA   ASN   9           HA       ASN   9   2.735   0.710   0.576
   78   1HB   ASN   9          2HB       ASN   9   3.261   0.825  -1.978
   79   2HB   ASN   9          1HB       ASN   9   3.956  -0.776  -1.805
   80   1HD2  ASN   9          1HD2      ASN   9   1.844  -0.015  -3.514
   81   2HD2  ASN   9          2HD2      ASN   9   0.426  -0.895  -3.035
   82    H    LEU  10           H        LEU  10   5.283   0.066   1.238
   83    HA   LEU  10           HA       LEU  10   5.465  -2.836   2.020
   84   1HB   LEU  10          2HB       LEU  10   7.689  -0.766   2.314
   85   2HB   LEU  10          1HB       LEU  10   7.830  -2.472   2.660
   86    HG   LEU  10           HG       LEU  10   7.499  -2.871   0.165
   87   1HD1  LEU  10          1HD1      LEU  10   6.549  -0.685  -0.378
   88   2HD1  LEU  10          2HD1      LEU  10   7.956  -1.070  -1.352
   89   3HD1  LEU  10          3HD1      LEU  10   8.101   0.079  -0.018
   90   1HD2  LEU  10          1HD2      LEU  10   9.668  -3.072   1.229
   91   2HD2  LEU  10          2HD2      LEU  10   9.921  -1.335   1.092
   92   3HD2  LEU  10          3HD2      LEU  10   9.836  -2.330  -0.362
   93    H    THR  11           H        THR  11   6.490  -2.932   4.865
   94    HA   THR  11           HA       THR  11   5.426  -0.994   5.976
   95    HB   THR  11           HB       THR  11   4.104  -3.788   6.180
   96    HG1  THR  11           HG1      THR  11   2.911  -1.250   5.749
   97   1HG2  THR  11          1HG2      THR  11   3.683  -1.364   7.940
   98   2HG2  THR  11          2HG2      THR  11   4.554  -2.826   8.405
   99   3HG2  THR  11          3HG2      THR  11   2.820  -2.897   8.074
  100    HA   PRO  12           HA       PRO  12   8.592  -4.097   7.483
  101   1HB   PRO  12          2HB       PRO  12   9.377  -5.930   5.507
  102   2HB   PRO  12          1HB       PRO  12   8.459  -6.375   6.945
  103   1HG   PRO  12          2HG       PRO  12   7.504  -5.827   4.182
  104   2HG   PRO  12          1HG       PRO  12   6.925  -7.027   5.351
  105   1HD   PRO  12          2HD       PRO  12   5.596  -4.731   4.866
  106   2HD   PRO  12          1HD       PRO  12   5.625  -5.480   6.478
  107    H    GLU  13           H        GLU  13  10.362  -2.965   7.074
  108    HA   GLU  13           HA       GLU  13  12.030  -1.687   5.521
  109   1HB   GLU  13          2HB       GLU  13  10.083  -1.513   3.638
  110   2HB   GLU  13          1HB       GLU  13   9.430  -0.324   4.751
  111   1HG   GLU  13          2HG       GLU  13  10.717   0.765   3.010
  112   2HG   GLU  13          1HG       GLU  13  11.512   0.978   4.568
  113    H    GLU  14           H        GLU  14   9.452   0.767   6.603
  114    HA   GLU  14           HA       GLU  14  11.295   1.500   8.170
  115   1HB   GLU  14          2HB       GLU  14   8.356   1.985   7.785
  116   2HB   GLU  14          1HB       GLU  14   9.392   2.984   8.788
  117   1HG   GLU  14          2HG       GLU  14  10.708   3.594   6.841
  118   2HG   GLU  14          1HG       GLU  14   9.710   2.550   5.829
  119    H    ALA  15           H        ALA  15   9.903  -1.222   8.503
  120    HA   ALA  15           HA       ALA  15   8.766  -1.051  11.195
  121   1HB   ALA  15          1HB       ALA  15   9.534  -3.488   9.558
  122   2HB   ALA  15          2HB       ALA  15   7.921  -2.788   9.640
  123   3HB   ALA  15          3HB       ALA  15   8.640  -3.513  11.079
  124    H    LYS  16           H        LYS  16  11.658  -1.643   9.494
  125    HA   LYS  16           HA       LYS  16  13.209  -2.419  11.864
  126   1HB   LYS  16          2HB       LYS  16  13.788  -2.547   8.898
  127   2HB   LYS  16          1HB       LYS  16  14.873  -3.104  10.161
  128   1HG   LYS  16          2HG       LYS  16  13.213  -4.778  10.847
  129   2HG   LYS  16          1HG       LYS  16  12.136  -4.222   9.569
  130   1HD   LYS  16          2HD       LYS  16  13.826  -4.809   7.899
  131   2HD   LYS  16          1HD       LYS  16  14.883  -5.391   9.183
  132   1HE   LYS  16          2HE       LYS  16  12.150  -6.509   8.517
  133   2HE   LYS  16          1HE       LYS  16  13.690  -7.224   8.045
  134   1HZ   LYS  16          1HZ       LYS  16  14.219  -7.459  10.419
  135   2HZ   LYS  16          2HZ       LYS  16  12.848  -8.326   9.999
  136   3HZ   LYS  16          3HZ       LYS  16  12.698  -6.873  10.826
  137    H    ILE  17           H        ILE  17  13.443  -0.499   8.913
  138    HA   ILE  17           HA       ILE  17  15.563   1.207   9.519
  139    HB   ILE  17           HB       ILE  17  13.189   1.809   7.723
  140   1HG1  ILE  17          2HG1      ILE  17  14.174  -0.276   7.045
  141   2HG1  ILE  17          1HG1      ILE  17  14.642   0.965   5.896
  142   1HG2  ILE  17          1HG2      ILE  17  14.486   3.822   8.165
  143   2HG2  ILE  17          2HG2      ILE  17  14.706   3.293   6.495
  144   3HG2  ILE  17          3HG2      ILE  17  15.965   2.983   7.692
  145   1HD1  ILE  17          1HD1      ILE  17  16.501  -0.501   6.359
  146   2HD1  ILE  17          2HD1      ILE  17  16.350  -0.205   8.089
  147   3HD1  ILE  17          3HD1      ILE  17  16.848   1.102   7.014
  148    H    VAL  18           H        VAL  18  12.366   1.445  10.758
  149    HA   VAL  18           HA       VAL  18  12.266   4.142  11.362
  150    HB   VAL  18           HB       VAL  18  10.375   2.518  11.645
  151   1HG1  VAL  18          1HG1      VAL  18  11.746   1.828  14.233
  152   2HG1  VAL  18          2HG1      VAL  18  11.481   0.755  12.860
  153   3HG1  VAL  18          3HG1      VAL  18  10.105   1.355  13.790
  154   1HG2  VAL  18          1HG2      VAL  18   9.358   3.664  13.576
  155   2HG2  VAL  18          2HG2      VAL  18  10.162   4.793  12.486
  156   3HG2  VAL  18          3HG2      VAL  18  10.935   4.324  14.000
  157    H    GLN  19           H        GLN  19  14.443   1.766  12.793
  158    HA   GLN  19           HA       GLN  19  14.556   2.997  15.371
  159   1HB   GLN  19          2HB       GLN  19  15.132   0.602  14.988
  160   2HB   GLN  19          1HB       GLN  19  16.472   1.103  13.981
  161   1HG   GLN  19          2HG       GLN  19  17.296   0.451  16.149
  162   2HG   GLN  19          1HG       GLN  19  17.527   2.180  15.930
  163   1HE2  GLN  19          1HE2      GLN  19  14.400   0.812  16.728
  164   2HE2  GLN  19          2HE2      GLN  19  14.338   1.417  18.331
  165    H    TYR  20           H        TYR  20  16.605   2.842  12.656
  166    HA   TYR  20           HA       TYR  20  18.405   4.980  13.021
  167   1HB   TYR  20          2HB       TYR  20  17.049   4.455  10.377
  168   2HB   TYR  20          1HB       TYR  20  18.555   5.338  10.623
  169    HD1  TYR  20           HD1      TYR  20  17.162   2.210   9.880
  170    HD2  TYR  20           HD2      TYR  20  20.414   4.013  11.907
  171    HE1  TYR  20           HE1      TYR  20  18.386   0.069   9.798
  172    HE2  TYR  20           HE2      TYR  20  21.654   1.898  11.824
  173    HH   TYR  20           HH       TYR  20  20.676  -0.737   9.919
  174    H    GLU  21           H        GLU  21  15.378   5.569  11.388
  175    HA   GLU  21           HA       GLU  21  15.229   8.101  11.316
  176   1HB   GLU  21          2HB       GLU  21  13.439   6.660  10.595
  177   2HB   GLU  21          1HB       GLU  21  12.812   6.542  12.234
  178   1HG   GLU  21          2HG       GLU  21  11.438   8.075  11.002
  179   2HG   GLU  21          1HG       GLU  21  12.386   8.994  12.176
  180    H    LEU  22           H        LEU  22  15.315   6.453  14.002
  181    HA   LEU  22           HA       LEU  22  13.892   7.874  16.419
  182   1HB   LEU  22          2HB       LEU  22  13.059   5.547  15.664
  183   2HB   LEU  22          1HB       LEU  22  14.687   5.039  16.039
  184    HG   LEU  22           HG       LEU  22  14.363   5.752  18.380
  185   1HD1  LEU  22          1HD1      LEU  22  11.538   6.355  17.488
  186   2HD1  LEU  22          2HD1      LEU  22  12.730   7.545  18.025
  187   3HD1  LEU  22          3HD1      LEU  22  12.117   6.344  19.151
  188   1HD2  LEU  22          1HD2      LEU  22  13.872   3.468  17.697
  189   2HD2  LEU  22          2HD2      LEU  22  12.216   3.934  17.308
  190   3HD2  LEU  22          3HD2      LEU  22  12.783   3.999  18.976
  191    H    SER  23           H        SER  23  16.872   6.633  15.149
  192    HA   SER  23           HA       SER  23  18.013   6.451  17.351
  193   1HB   SER  23          2HB       SER  23  19.315   7.436  14.829
  194   2HB   SER  23          1HB       SER  23  20.254   6.856  16.208
  195    HG   SER  23           HG       SER  23  18.162   5.214  15.449
  196    H    THR  24           H        THR  24  17.348   9.525  15.782
  197    HA   THR  24           HA       THR  24  19.026  11.194  17.353
  198    HB   THR  24           HB       THR  24  16.543  11.961  15.774
  199    HG1  THR  24           HG1      THR  24  17.883  12.236  14.061
  200   1HG2  THR  24          1HG2      THR  24  17.647  14.131  15.542
  201   2HG2  THR  24          2HG2      THR  24  19.053  13.533  16.410
  202   3HG2  THR  24          3HG2      THR  24  17.513  13.721  17.255
  203    H    ARG  25           H        ARG  25  18.201  10.036  19.472
  204    HA   ARG  25           HA       ARG  25  15.631  11.164  20.451
  205   1HB   ARG  25          2HB       ARG  25  17.500   9.104  21.650
  206   2HB   ARG  25          1HB       ARG  25  16.021   9.703  22.356
  207   1HG   ARG  25          2HG       ARG  25  14.735   8.613  20.597
  208   2HG   ARG  25          1HG       ARG  25  16.239   8.013  19.878
  209   1HD   ARG  25          2HD       ARG  25  16.770   6.872  21.992
  210   2HD   ARG  25          1HD       ARG  25  15.249   7.434  22.664
  211    HE   ARG  25           HE       ARG  25  14.090   5.975  21.208
  212   1HH1  ARG  25          1HH1      ARG  25  17.599   5.546  20.975
  213   2HH1  ARG  25          2HH1      ARG  25  17.505   3.897  20.577
  214   1HH2  ARG  25          1HH2      ARG  25  13.974   3.716  20.698
  215   2HH2  ARG  25          2HH2      ARG  25  15.387   2.829  20.398
  216    H    ASP  26           H        ASP  26  15.820  13.004  20.769
  217    HA   ASP  26           HA       ASP  26  17.092  13.716  23.306
  218   1HB   ASP  26          2HB       ASP  26  18.575  14.490  21.202
  219   2HB   ASP  26          1HB       ASP  26  17.300  15.694  21.046
  220    H    GLU  27           H        GLU  27  15.707  16.340  21.537
  221    HA   GLU  27           HA       GLU  27  13.340  15.776  23.119
  222   1HB   GLU  27          2HB       GLU  27  13.036  17.753  20.934
  223   2HB   GLU  27          1HB       GLU  27  12.600  17.929  22.618
  224   1HG   GLU  27          2HG       GLU  27  14.163  19.575  22.305
  225   2HG   GLU  27          1HG       GLU  27  15.127  18.264  22.991
  226    H    PHE  28           H        PHE  28  14.191  15.087  19.951
  227    HA   PHE  28           HA       PHE  28  12.786  14.620  18.269
  228   1HB   PHE  28          2HB       PHE  28  14.291  12.799  18.723
  229   2HB   PHE  28          1HB       PHE  28  13.219  12.138  19.935
  230    HD1  PHE  28           HD1      PHE  28  13.764  12.563  16.324
  231    HD2  PHE  28           HD2      PHE  28  11.483  10.621  19.341
  232    HE1  PHE  28           HE1      PHE  28  12.859  11.007  14.650
  233    HE2  PHE  28           HE2      PHE  28  10.574   9.075  17.671
  234    HZ   PHE  28           HZ       PHE  28  11.263   9.266  15.318
  235    H    TYR  29           H        TYR  29  10.608  15.191  18.020
  236    HA   TYR  29           HA       TYR  29   8.877  13.982  19.986
  237   1HB   TYR  29          2HB       TYR  29   9.204  16.343  20.497
  238   2HB   TYR  29          1HB       TYR  29   8.513  16.793  18.950
  239    HD1  TYR  29           HD1      TYR  29   7.690  14.963  22.083
  240    HD2  TYR  29           HD2      TYR  29   6.257  17.276  18.828
  241    HE1  TYR  29           HE1      TYR  29   5.483  15.084  23.152
  242    HE2  TYR  29           HE2      TYR  29   4.042  17.404  19.882
  243    HH   TYR  29           HH       TYR  29   3.531  16.540  23.097
  244    H    ARG  30           H        ARG  30   7.127  15.856  17.601
  245    HA   ARG  30           HA       ARG  30   5.565  13.861  17.288
  246   1HB   ARG  30          2HB       ARG  30   5.160  16.230  16.722
  247   2HB   ARG  30          1HB       ARG  30   5.816  15.932  15.121
  248   1HG   ARG  30          2HG       ARG  30   3.472  15.859  14.890
  249   2HG   ARG  30          1HG       ARG  30   4.009  14.180  14.842
  250   1HD   ARG  30          2HD       ARG  30   2.886  15.586  17.283
  251   2HD   ARG  30          1HD       ARG  30   1.964  14.518  16.236
  252    HE   ARG  30           HE       ARG  30   3.688  12.782  16.941
  253   1HH1  ARG  30          1HH1      ARG  30   2.354  15.268  19.075
  254   2HH1  ARG  30          2HH1      ARG  30   2.856  14.546  20.516
  255   1HH2  ARG  30          1HH2      ARG  30   4.376  11.714  18.922
  256   2HH2  ARG  30          2HH2      ARG  30   4.082  12.404  20.427
  257    H    VAL  31           H        VAL  31   5.276  12.192  15.628
  258    HA   VAL  31           HA       VAL  31   7.152  11.725  13.271
  259    HB   VAL  31           HB       VAL  31   6.122   9.637  15.180
  260   1HG1  VAL  31          1HG1      VAL  31   8.264   9.564  13.059
  261   2HG1  VAL  31          2HG1      VAL  31   6.633   8.915  12.920
  262   3HG1  VAL  31          3HG1      VAL  31   7.766   8.204  14.067
  263   1HG2  VAL  31          1HG2      VAL  31   7.679  10.972  16.486
  264   2HG2  VAL  31          2HG2      VAL  31   8.882  10.857  15.203
  265   3HG2  VAL  31          3HG2      VAL  31   8.403   9.412  16.093
  266    H    PHE  32           H        PHE  32   6.080  11.213  11.284
  267    HA   PHE  32           HA       PHE  32   3.593   9.804  11.351
  268   1HB   PHE  32          2HB       PHE  32   4.119  12.408   9.880
  269   2HB   PHE  32          1HB       PHE  32   2.780  11.314   9.616
  270    HD1  PHE  32           HD1      PHE  32   4.047  14.105  11.461
  271    HD2  PHE  32           HD2      PHE  32   0.977  11.184  11.325
  272    HE1  PHE  32           HE1      PHE  32   2.657  15.506  12.926
  273    HE2  PHE  32           HE2      PHE  32  -0.417  12.566  12.804
  274    HZ   PHE  32           HZ       PHE  32   0.421  14.734  13.603
  275    H    ILE  33           H        ILE  33   4.172   8.095  10.340
  276    HA   ILE  33           HA       ILE  33   5.498   8.538   7.780
  277    HB   ILE  33           HB       ILE  33   6.804   6.450   7.957
  278   1HG1  ILE  33          2HG1      ILE  33   5.392   5.274   9.706
  279   2HG1  ILE  33          1HG1      ILE  33   7.118   5.161   9.983
  280   1HG2  ILE  33          1HG2      ILE  33   7.457   8.435  10.099
  281   2HG2  ILE  33          2HG2      ILE  33   7.995   8.435   8.417
  282   3HG2  ILE  33          3HG2      ILE  33   8.561   7.188   9.527
  283   1HD1  ILE  33          1HD1      ILE  33   5.206   7.000  11.411
  284   2HD1  ILE  33          2HD1      ILE  33   6.937   6.861  11.724
  285   3HD1  ILE  33          3HD1      ILE  33   5.870   5.493  12.041
  286    H    ASN  34           H        ASN  34   4.911   6.638   6.116
  287    HA   ASN  34           HA       ASN  34   2.555   5.319   7.123
  288   1HB   ASN  34          2HB       ASN  34   2.501   7.022   4.637
  289   2HB   ASN  34          1HB       ASN  34   1.354   5.747   5.002
  290   1HD2  ASN  34          1HD2      ASN  34   0.942   8.646   4.651
  291   2HD2  ASN  34          2HD2      ASN  34   0.157   9.170   6.089
  292    HA   PRO  35           HA       PRO  35   4.944   2.345   4.735
  293   1HB   PRO  35          2HB       PRO  35   4.999   0.690   7.121
  294   2HB   PRO  35          1HB       PRO  35   6.381   1.420   6.296
  295   1HG   PRO  35          2HG       PRO  35   5.537   2.153   8.794
  296   2HG   PRO  35          1HG       PRO  35   6.399   3.239   7.691
  297   1HD   PRO  35          2HD       PRO  35   3.458   3.043   8.234
  298   2HD   PRO  35          1HD       PRO  35   4.474   4.490   8.055
  299    H    TYR  36           H        TYR  36   2.937   2.420   4.063
  300    HA   TYR  36           HA       TYR  36   1.038   0.247   4.997
  301   1HB   TYR  36          2HB       TYR  36   0.478   2.650   5.798
  302   2HB   TYR  36          1HB       TYR  36  -0.099   2.873   4.151
  303    HD1  TYR  36           HD1      TYR  36  -0.473   0.973   7.228
  304    HD2  TYR  36           HD2      TYR  36  -2.184   1.844   3.443
  305    HE1  TYR  36           HE1      TYR  36  -2.528  -0.115   7.934
  306    HE2  TYR  36           HE2      TYR  36  -4.272   0.739   4.139
  307    HH   TYR  36           HH       TYR  36  -5.006  -0.930   5.784
  308    H    ALA  37           H        ALA  37   0.519   2.593   2.465
  309    HA   ALA  37           HA       ALA  37   0.776   0.500   0.515
  310   1HB   ALA  37          1HB       ALA  37  -1.907   1.802   0.944
  311   2HB   ALA  37          2HB       ALA  37  -1.478   0.178   1.465
  312   3HB   ALA  37          3HB       ALA  37  -1.500   0.566  -0.256
  313    H    LYS  38           H        LYS  38   2.502   2.502   0.380
  314    HA   LYS  38           HA       LYS  38   3.387   3.653  -0.964
  315   1HB   LYS  38          2HB       LYS  38   2.696   4.166  -3.253
  316   2HB   LYS  38          1HB       LYS  38   2.337   2.495  -2.903
  317   1HG   LYS  38          2HG       LYS  38  -0.054   3.132  -2.616
  318   2HG   LYS  38          1HG       LYS  38   0.376   4.771  -3.083
  319   1HD   LYS  38          2HD       LYS  38   1.318   3.769  -5.209
  320   2HD   LYS  38          1HD       LYS  38   0.515   2.270  -4.734
  321   1HE   LYS  38          2HE       LYS  38  -0.778   4.939  -5.241
  322   2HE   LYS  38          1HE       LYS  38  -0.903   3.507  -6.251
  323   1HZ   LYS  38          1HZ       LYS  38  -1.955   3.802  -3.491
  324   2HZ   LYS  38          2HZ       LYS  38  -2.088   2.407  -4.378
  325   3HZ   LYS  38          3HZ       LYS  38  -2.870   3.817  -4.885
  326    H    VAL  39           H        VAL  39   3.707   5.319   0.247
  327    HA   VAL  39           HA       VAL  39   2.703   7.237  -0.188
  328    HB   VAL  39           HB       VAL  39   0.429   6.745   0.372
  329   1HG1  VAL  39          1HG1      VAL  39  -0.548   6.421   2.540
  330   2HG1  VAL  39          2HG1      VAL  39   1.050   6.578   3.255
  331   3HG1  VAL  39          3HG1      VAL  39   0.712   5.244   2.147
  332   1HG2  VAL  39          1HG2      VAL  39  -0.573   8.612   1.459
  333   2HG2  VAL  39          2HG2      VAL  39   0.806   9.206   0.533
  334   3HG2  VAL  39          3HG2      VAL  39   0.896   9.061   2.287
  335    H    ALA  40           H        ALA  40   2.382   8.640   2.518
  336    HA   ALA  40           HA       ALA  40   3.554   8.668   4.786
  337   1HB   ALA  40          1HB       ALA  40   5.950   8.876   2.923
  338   2HB   ALA  40          2HB       ALA  40   5.654   7.455   3.921
  339   3HB   ALA  40          3HB       ALA  40   5.958   9.013   4.682
  340    H    GLU  41           H        GLU  41   5.029  10.546   5.098
  341    HA   GLU  41           HA       GLU  41   4.672  12.742   4.003
  342   1HB   GLU  41          2HB       GLU  41   2.492  13.855   5.091
  343   2HB   GLU  41          1HB       GLU  41   2.308  12.820   3.687
  344   1HG   GLU  41          2HG       GLU  41   1.666  10.958   5.132
  345   2HG   GLU  41          1HG       GLU  41   1.875  11.970   6.554
  346    H    VAL  42           H        VAL  42   6.371  13.529   5.621
  347    HA   VAL  42           HA       VAL  42   5.899  12.786   8.420
  348    HB   VAL  42           HB       VAL  42   8.500  12.919   6.984
  349   1HG1  VAL  42          1HG1      VAL  42   9.365  11.607   8.867
  350   2HG1  VAL  42          2HG1      VAL  42   7.741  11.551   9.548
  351   3HG1  VAL  42          3HG1      VAL  42   8.568  13.096   9.379
  352   1HG2  VAL  42          1HG2      VAL  42   8.683  10.442   6.844
  353   2HG2  VAL  42          2HG2      VAL  42   7.446  11.112   5.782
  354   3HG2  VAL  42          3HG2      VAL  42   6.980  10.330   7.292
  355    H    VAL  43           H        VAL  43   6.216  13.809   9.805
  356    HA   VAL  43           HA       VAL  43   7.091  16.338   9.208
  357    HB   VAL  43           HB       VAL  43   4.496  15.948  10.818
  358   1HG1  VAL  43          1HG1      VAL  43   4.345  18.355  11.143
  359   2HG1  VAL  43          2HG1      VAL  43   5.926  18.557  10.390
  360   3HG1  VAL  43          3HG1      VAL  43   5.783  17.684  11.916
  361   1HG2  VAL  43          1HG2      VAL  43   4.990  17.468   8.258
  362   2HG2  VAL  43          2HG2      VAL  43   3.443  17.365   9.099
  363   3HG2  VAL  43          3HG2      VAL  43   4.169  15.915   8.402
  364    H    ILE  44           H        ILE  44   9.007  16.086  10.797
  365    HA   ILE  44           HA       ILE  44   8.353  14.883  13.329
  366    HB   ILE  44           HB       ILE  44   9.124  13.080  11.802
  367   1HG1  ILE  44          2HG1      ILE  44  10.081  13.205  14.235
  368   2HG1  ILE  44          1HG1      ILE  44  10.804  12.073  13.108
  369   1HG2  ILE  44          1HG2      ILE  44  10.207  14.379  10.122
  370   2HG2  ILE  44          2HG2      ILE  44  11.306  13.125  10.699
  371   3HG2  ILE  44          3HG2      ILE  44  11.516  14.792  11.229
  372   1HD1  ILE  44          1HD1      ILE  44  12.656  13.643  12.744
  373   2HD1  ILE  44          2HD1      ILE  44  12.492  13.212  14.449
  374   3HD1  ILE  44          3HD1      ILE  44  11.908  14.771  13.875
  375    H    ASP  45           H        ASP  45   9.214  15.504  14.994
  376    HA   ASP  45           HA       ASP  45  10.761  17.975  14.800
  377   1HB   ASP  45          2HB       ASP  45   9.637  16.576  17.242
  378   2HB   ASP  45          1HB       ASP  45  10.486  18.115  17.271
  379    H    ASP  46           H        ASP  46  13.103  17.933  14.958
  380    HA   ASP  46           HA       ASP  46  14.755  15.672  15.862
  381   1HB   ASP  46          2HB       ASP  46  14.003  15.620  13.457
  382   2HB   ASP  46          1HB       ASP  46  14.596  17.269  13.374
  383    H    SER  47           H        SER  47  13.561  18.626  16.393
  384    HA   SER  47           HA       SER  47  14.982  20.505  15.413
  385   1HB   SER  47          2HB       SER  47  14.747  21.780  17.777
  386   2HB   SER  47          1HB       SER  47  13.394  21.471  16.693
  387    HG   SER  47           HG       SER  47  14.221  19.930  18.938
  388    H    LYS  48           H        LYS  48  16.383  19.368  18.506
  389    HA   LYS  48           HA       LYS  48  18.584  20.082  18.979
  390   1HB   LYS  48          2HB       LYS  48  18.055  17.749  19.434
  391   2HB   LYS  48          1HB       LYS  48  18.610  17.295  17.834
  392   1HG   LYS  48          2HG       LYS  48  20.883  18.072  18.444
  393   2HG   LYS  48          1HG       LYS  48  20.293  18.386  20.079
  394   1HD   LYS  48          2HD       LYS  48  19.634  16.019  20.254
  395   2HD   LYS  48          1HD       LYS  48  20.332  15.725  18.662
  396   1HE   LYS  48          2HE       LYS  48  21.928  15.040  20.323
  397   2HE   LYS  48          1HE       LYS  48  22.519  16.511  19.558
  398   1HZ   LYS  48          1HZ       LYS  48  22.768  16.509  21.984
  399   2HZ   LYS  48          2HZ       LYS  48  21.089  16.415  22.148
  400   3HZ   LYS  48          3HZ       LYS  48  21.784  17.781  21.476
  401    H    VAL  49           H        VAL  49  19.660  17.890  16.188
  402    HA   VAL  49           HA       VAL  49  21.034  20.281  15.269
  403    HB   VAL  49           HB       VAL  49  22.313  18.472  16.338
  404   1HG1  VAL  49          1HG1      VAL  49  21.738  16.915  13.852
  405   2HG1  VAL  49          2HG1      VAL  49  21.259  16.525  15.502
  406   3HG1  VAL  49          3HG1      VAL  49  22.963  16.499  15.050
  407   1HG2  VAL  49          1HG2      VAL  49  24.203  18.527  14.706
  408   2HG2  VAL  49          2HG2      VAL  49  23.490  20.092  15.075
  409   3HG2  VAL  49          3HG2      VAL  49  23.102  19.299  13.554
  410    H    ASN  50           H        ASN  50  18.947  17.767  13.815
  411    HA   ASN  50           HA       ASN  50  18.245  17.387  11.778
  412   1HB   ASN  50          2HB       ASN  50  17.303  19.395  11.272
  413   2HB   ASN  50          1HB       ASN  50  18.796  20.285  11.513
  414   1HD2  ASN  50          1HD2      ASN  50  17.112  18.131   9.080
  415   2HD2  ASN  50          2HD2      ASN  50  17.929  18.835   7.774
  416    H    ILE  51           H        ILE  51  21.578  18.713  11.373
  417    HA   ILE  51           HA       ILE  51  22.010  17.808   8.820
  418    HB   ILE  51           HB       ILE  51  23.495  19.332  10.165
  419   1HG1  ILE  51          2HG1      ILE  51  24.915  16.995   8.877
  420   2HG1  ILE  51          1HG1      ILE  51  24.235  18.367   8.008
  421   1HG2  ILE  51          1HG2      ILE  51  23.600  17.964  12.197
  422   2HG2  ILE  51          2HG2      ILE  51  25.204  18.401  11.612
  423   3HG2  ILE  51          3HG2      ILE  51  24.580  16.775  11.342
  424   1HD1  ILE  51          1HD1      ILE  51  25.818  19.848   9.156
  425   2HD1  ILE  51          2HD1      ILE  51  26.632  18.588   8.229
  426   3HD1  ILE  51          3HD1      ILE  51  26.508  18.452   9.982
  427    H    GLU  52           H        GLU  52  21.789  15.926  11.598
  428    HA   GLU  52           HA       GLU  52  23.339  13.853  10.530
  429   1HB   GLU  52          2HB       GLU  52  21.853  13.892  13.136
  430   2HB   GLU  52          1HB       GLU  52  22.669  12.436  12.555
  431   1HG   GLU  52          2HG       GLU  52  24.767  13.686  12.342
  432   2HG   GLU  52          1HG       GLU  52  23.966  15.128  12.936
  433    H    GLU  53           H        GLU  53  20.031  14.657  10.144
  434    HA   GLU  53           HA       GLU  53  18.919  12.247   9.523
  435   1HB   GLU  53          2HB       GLU  53  18.533  14.873   8.092
  436   2HB   GLU  53          1HB       GLU  53  17.516  13.474   7.837
  437   1HG   GLU  53          2HG       GLU  53  16.869  13.594  10.228
  438   2HG   GLU  53          1HG       GLU  53  17.811  15.085  10.351
  439    H    LEU  54           H        LEU  54  21.045  14.257   7.560
  440    HA   LEU  54           HA       LEU  54  20.806  12.847   5.135
  441   1HB   LEU  54          2HB       LEU  54  21.844  15.102   5.319
  442   2HB   LEU  54          1HB       LEU  54  23.218  14.383   6.137
  443    HG   LEU  54           HG       LEU  54  23.665  13.036   4.070
  444   1HD1  LEU  54          1HD1      LEU  54  22.629  13.764   1.980
  445   2HD1  LEU  54          2HD1      LEU  54  21.536  14.796   2.907
  446   3HD1  LEU  54          3HD1      LEU  54  21.475  13.046   3.101
  447   1HD2  LEU  54          1HD2      LEU  54  24.951  15.048   4.449
  448   2HD2  LEU  54          2HD2      LEU  54  23.666  16.036   3.752
  449   3HD2  LEU  54          3HD2      LEU  54  24.560  14.906   2.737
  450    H    LYS  55           H        LYS  55  22.297  12.177   8.019
  451    HA   LYS  55           HA       LYS  55  24.329  10.299   7.009
  452   1HB   LYS  55          2HB       LYS  55  25.034  11.702   8.874
  453   2HB   LYS  55          1HB       LYS  55  23.594  11.290   9.775
  454   1HG   LYS  55          2HG       LYS  55  25.534  10.188  10.715
  455   2HG   LYS  55          1HG       LYS  55  24.419   9.007  10.057
  456   1HD   LYS  55          2HD       LYS  55  26.473   9.845   8.154
  457   2HD   LYS  55          1HD       LYS  55  27.129   9.100   9.614
  458   1HE   LYS  55          2HE       LYS  55  25.034   7.914   7.793
  459   2HE   LYS  55          1HE       LYS  55  26.722   7.431   7.869
  460   1HZ   LYS  55          1HZ       LYS  55  24.780   7.147  10.148
  461   2HZ   LYS  55          2HZ       LYS  55  26.381   6.632  10.124
  462   3HZ   LYS  55          3HZ       LYS  55  25.261   5.931   9.096
  463    H    GLU  56           H        GLU  56  21.388   9.769   9.270
  464    HA   GLU  56           HA       GLU  56  22.241   7.391   9.098
  465   1HB   GLU  56          2HB       GLU  56  19.737   8.522  10.175
  466   2HB   GLU  56          1HB       GLU  56  19.979   6.776  10.246
  467   1HG   GLU  56          2HG       GLU  56  21.785   8.892  11.390
  468   2HG   GLU  56          1HG       GLU  56  20.771   7.755  12.284
  469    H    LYS  57           H        LYS  57  19.183   8.905   7.943
  470    HA   LYS  57           HA       LYS  57  18.218   6.710   6.572
  471   1HB   LYS  57          2HB       LYS  57  16.367   8.283   5.909
  472   2HB   LYS  57          1HB       LYS  57  16.587   7.825   7.580
  473   1HG   LYS  57          2HG       LYS  57  17.704  10.026   7.954
  474   2HG   LYS  57          1HG       LYS  57  17.267  10.468   6.302
  475   1HD   LYS  57          2HD       LYS  57  14.912  10.145   6.817
  476   2HD   LYS  57          1HD       LYS  57  15.328   9.620   8.447
  477   1HE   LYS  57          2HE       LYS  57  16.343  11.829   8.853
  478   2HE   LYS  57          1HE       LYS  57  15.798  12.330   7.253
  479   1HZ   LYS  57          1HZ       LYS  57  13.981  11.484   9.481
  480   2HZ   LYS  57          2HZ       LYS  57  13.520  12.011   7.976
  481   3HZ   LYS  57          3HZ       LYS  57  14.350  13.076   9.010
  482    H    LEU  58           H        LEU  58  17.706   9.684   4.786
  483    HA   LEU  58           HA       LEU  58  17.843  10.195   2.706
  484   1HB   LEU  58          2HB       LEU  58  20.394  10.095   3.540
  485   2HB   LEU  58          1HB       LEU  58  20.498   8.801   2.378
  486    HG   LEU  58           HG       LEU  58  20.028  11.734   1.871
  487   1HD1  LEU  58          1HD1      LEU  58  22.171   9.856   0.955
  488   2HD1  LEU  58          2HD1      LEU  58  22.304  11.107   2.191
  489   3HD1  LEU  58          3HD1      LEU  58  22.030  11.556   0.508
  490   1HD2  LEU  58          1HD2      LEU  58  18.519  10.541   0.347
  491   2HD2  LEU  58          2HD2      LEU  58  19.859   9.526  -0.192
  492   3HD2  LEU  58          3HD2      LEU  58  19.868  11.255  -0.536
  493    H    LYS  59           H        LYS  59  16.452   7.714   3.195
  494    HA   LYS  59           HA       LYS  59  17.792   5.688   1.853
  495   1HB   LYS  59          2HB       LYS  59  15.019   5.619   3.068
  496   2HB   LYS  59          1HB       LYS  59  15.816   4.200   2.409
  497   1HG   LYS  59          2HG       LYS  59  16.786   5.864   4.735
  498   2HG   LYS  59          1HG       LYS  59  16.001   4.290   4.845
  499   1HD   LYS  59          2HD       LYS  59  17.887   3.302   3.573
  500   2HD   LYS  59          1HD       LYS  59  18.659   4.883   3.541
  501   1HE   LYS  59          2HE       LYS  59  18.749   4.891   5.993
  502   2HE   LYS  59          1HE       LYS  59  18.000   3.297   6.020
  503   1HZ   LYS  59          1HZ       LYS  59  20.421   3.175   6.251
  504   2HZ   LYS  59          2HZ       LYS  59  20.616   3.957   4.783
  505   3HZ   LYS  59          3HZ       LYS  59  19.912   2.431   4.826
  506    H    GLY  60           H        GLY  60  14.885   7.602   1.400
  507   1HA   GLY  60          2HA       GLY  60  13.351   7.922  -0.291
  508   2HA   GLY  60          1HA       GLY  60  14.804   8.070  -1.242
  509    H    GLU  61           H        GLU  61  11.955   5.987  -0.534
  510    HA   GLU  61           HA       GLU  61  12.978   4.098  -2.512
  511   1HB   GLU  61          2HB       GLU  61  11.373   3.629  -0.007
  512   2HB   GLU  61          1HB       GLU  61  11.539   2.445  -1.297
  513   1HG   GLU  61          2HG       GLU  61  13.827   3.618   0.265
  514   2HG   GLU  61          1HG       GLU  61  13.073   2.054   0.589
  515    H    VAL  62           H        VAL  62  11.640   3.553  -4.026
  516    HA   VAL  62           HA       VAL  62   9.278   2.688  -4.743
  517    HB   VAL  62           HB       VAL  62   8.443   4.649  -2.656
  518   1HG1  VAL  62          1HG1      VAL  62   6.745   4.487  -4.513
  519   2HG1  VAL  62          2HG1      VAL  62   6.185   3.656  -3.058
  520   3HG1  VAL  62          3HG1      VAL  62   6.839   2.730  -4.407
  521   1HG2  VAL  62          1HG2      VAL  62   7.710   2.567  -1.576
  522   2HG2  VAL  62          2HG2      VAL  62   9.453   2.581  -1.843
  523   3HG2  VAL  62          3HG2      VAL  62   8.407   1.636  -2.903
  524    H    ILE  63           H        ILE  63  11.354   5.377  -5.483
  525    HA   ILE  63           HA       ILE  63  11.496   6.603  -7.197
  526    HB   ILE  63           HB       ILE  63   8.591   5.889  -7.956
  527   1HG1  ILE  63          2HG1      ILE  63  11.173   4.718  -9.020
  528   2HG1  ILE  63          1HG1      ILE  63  10.100   3.934  -7.866
  529   1HG2  ILE  63          1HG2      ILE  63  10.778   7.074  -9.693
  530   2HG2  ILE  63          2HG2      ILE  63   9.364   7.943  -9.100
  531   3HG2  ILE  63          3HG2      ILE  63   9.164   6.609 -10.235
  532   1HD1  ILE  63          1HD1      ILE  63   9.798   3.071 -10.123
  533   2HD1  ILE  63          2HD1      ILE  63   9.392   4.690 -10.694
  534   3HD1  ILE  63          3HD1      ILE  63   8.339   3.870  -9.540
  535    H    GLU  64           H        GLU  64   9.862   7.605  -4.426
  536    HA   GLU  64           HA       GLU  64   9.195  10.191  -4.750
  537   1HB   GLU  64          2HB       GLU  64  10.124  10.578  -2.650
  538   2HB   GLU  64          1HB       GLU  64   9.406   8.998  -2.626
  539   1HG   GLU  64          2HG       GLU  64  11.294   8.757  -1.328
  540   2HG   GLU  64          1HG       GLU  64  11.848   8.168  -2.891
  541    H    GLU  65           H        GLU  65  12.699   9.697  -4.506
  542    HA   GLU  65           HA       GLU  65  14.403  10.982  -5.149
  543   1HB   GLU  65          2HB       GLU  65  12.699  11.399  -7.587
  544   2HB   GLU  65          1HB       GLU  65  14.414  11.775  -7.495
  545   1HG   GLU  65          2HG       GLU  65  14.837   9.357  -7.062
  546   2HG   GLU  65          1HG       GLU  65  13.120   9.062  -7.347
  547    H    LYS  66           H        LYS  66  12.559  12.279  -3.582
  548    HA   LYS  66           HA       LYS  66  12.612  14.842  -4.833
  549   1HB   LYS  66          2HB       LYS  66  10.599  14.101  -2.728
  550   2HB   LYS  66          1HB       LYS  66  10.738  15.739  -3.350
  551   1HG   LYS  66          2HG       LYS  66  10.184  13.296  -5.025
  552   2HG   LYS  66          1HG       LYS  66   8.968  14.448  -4.470
  553   1HD   LYS  66          2HD       LYS  66  10.087  16.237  -5.716
  554   2HD   LYS  66          1HD       LYS  66  11.324  15.108  -6.258
  555   1HE   LYS  66          2HE       LYS  66   8.392  14.811  -6.843
  556   2HE   LYS  66          1HE       LYS  66   9.548  15.568  -7.931
  557   1HZ   LYS  66          1HZ       LYS  66   9.811  12.748  -6.981
  558   2HZ   LYS  66          2HZ       LYS  66  10.707  13.523  -8.185
  559   3HZ   LYS  66          3HZ       LYS  66   9.090  13.213  -8.433
  560    H    GLU  67           H        GLU  67  12.915  13.519  -1.783
  561    HA   GLU  67           HA       GLU  67  13.699  14.094   0.290
  562   1HB   GLU  67          2HB       GLU  67  15.896  13.961  -0.776
  563   2HB   GLU  67          1HB       GLU  67  15.793  15.653  -1.259
  564   1HG   GLU  67          2HG       GLU  67  15.666  16.254   1.174
  565   2HG   GLU  67          1HG       GLU  67  16.016  14.570   1.544
  566    H    ILE  68           H        ILE  68  12.892  15.423   1.557
  567    HA   ILE  68           HA       ILE  68  12.874  18.378   1.117
  568    HB   ILE  68           HB       ILE  68  10.440  17.250   2.584
  569   1HG1  ILE  68          2HG1      ILE  68   9.132  17.910   0.473
  570   2HG1  ILE  68          1HG1      ILE  68  10.673  17.907  -0.363
  571   1HG2  ILE  68          1HG2      ILE  68  11.014  19.596   3.006
  572   2HG2  ILE  68          2HG2      ILE  68   9.490  19.464   2.133
  573   3HG2  ILE  68          3HG2      ILE  68  10.958  19.926   1.275
  574   1HD1  ILE  68          1HD1      ILE  68  10.932  15.531   0.114
  575   2HD1  ILE  68          2HD1      ILE  68   9.419  15.852  -0.744
  576   3HD1  ILE  68          3HD1      ILE  68   9.401  15.533   0.988
  577    H    THR  69           H        THR  69  11.700  18.027   4.175
  578    HA   THR  69           HA       THR  69  12.691  19.380   5.950
  579    HB   THR  69           HB       THR  69  15.375  18.391   4.920
  580    HG1  THR  69           HG1      THR  69  14.988  16.759   6.846
  581   1HG2  THR  69          1HG2      THR  69  16.032  18.682   7.268
  582   2HG2  THR  69          2HG2      THR  69  14.362  19.077   7.677
  583   3HG2  THR  69          3HG2      THR  69  15.282  20.138   6.612
  584    H    LEU  70           H        LEU  70  14.772  20.070   3.296
  585    HA   LEU  70           HA       LEU  70  15.297  22.583   3.634
  586   1HB   LEU  70          2HB       LEU  70  15.553  20.926   1.737
  587   2HB   LEU  70          1HB       LEU  70  14.062  21.588   1.129
  588    HG   LEU  70           HG       LEU  70  16.512  23.278   1.682
  589   1HD1  LEU  70          1HD1      LEU  70  16.986  23.134  -0.683
  590   2HD1  LEU  70          2HD1      LEU  70  15.668  21.981  -0.887
  591   3HD1  LEU  70          3HD1      LEU  70  17.073  21.551   0.091
  592   1HD2  LEU  70          1HD2      LEU  70  15.497  24.867   0.139
  593   2HD2  LEU  70          2HD2      LEU  70  14.380  24.524   1.461
  594   3HD2  LEU  70          3HD2      LEU  70  14.135  23.782  -0.119
  595    H    GLN  71           H        GLN  71  12.374  22.148   1.441
  596    HA   GLN  71           HA       GLN  71  10.945  24.197   3.009
  597   1HB   GLN  71          2HB       GLN  71  12.271  25.200   1.199
  598   2HB   GLN  71          1HB       GLN  71  11.477  24.136   0.054
  599   1HG   GLN  71          2HG       GLN  71  10.514  26.343  -0.059
  600   2HG   GLN  71          1HG       GLN  71   9.323  25.217   0.586
  601   1HE2  GLN  71          1HE2      GLN  71   8.525  25.550   2.605
  602   2HE2  GLN  71          2HE2      GLN  71   8.952  26.880   3.610
  603    H    GLU  72           H        GLU  72   9.045  23.621   3.637
  604    HA   GLU  72           HA       GLU  72   7.042  21.930   2.648
  605   1HB   GLU  72          2HB       GLU  72   7.036  23.121   4.738
  606   2HB   GLU  72          1HB       GLU  72   7.129  24.655   3.902
  607   1HG   GLU  72          2HG       GLU  72   4.872  24.172   4.747
  608   2HG   GLU  72          1HG       GLU  72   4.904  24.348   3.000
  609    H    LEU  73           H        LEU  73   7.602  22.312  -0.154
  610    HA   LEU  73           HA       LEU  73   6.113  24.581  -0.735
  611   1HB   LEU  73          2HB       LEU  73   7.115  24.011  -3.006
  612   2HB   LEU  73          1HB       LEU  73   8.235  24.558  -1.785
  613    HG   LEU  73           HG       LEU  73   8.854  22.123  -1.407
  614   1HD1  LEU  73          1HD1      LEU  73   6.930  21.037  -2.400
  615   2HD1  LEU  73          2HD1      LEU  73   8.428  20.520  -3.176
  616   3HD1  LEU  73          3HD1      LEU  73   7.372  21.681  -3.983
  617   1HD2  LEU  73          1HD2      LEU  73  10.312  22.014  -3.352
  618   2HD2  LEU  73          2HD2      LEU  73  10.284  23.626  -2.638
  619   3HD2  LEU  73          3HD2      LEU  73   9.382  23.299  -4.119
  620    H    ILE  74           H        ILE  74   4.689  22.337   0.386
  621    HA   ILE  74           HA       ILE  74   3.434  21.292  -1.995
  622    HB   ILE  74           HB       ILE  74   5.011  19.596  -1.211
  623   1HG1  ILE  74          2HG1      ILE  74   2.799  18.815  -2.187
  624   2HG1  ILE  74          1HG1      ILE  74   3.607  17.637  -1.175
  625   1HG2  ILE  74          1HG2      ILE  74   5.219  20.180   1.067
  626   2HG2  ILE  74          2HG2      ILE  74   4.785  18.476   0.933
  627   3HG2  ILE  74          3HG2      ILE  74   3.564  19.664   1.394
  628   1HD1  ILE  74          1HD1      ILE  74   1.231  19.329  -0.393
  629   2HD1  ILE  74          2HD1      ILE  74   2.025  18.141   0.638
  630   3HD1  ILE  74          3HD1      ILE  74   1.195  17.620  -0.827
  Start of MODEL    8
    1    H    SER   1           H        SER   1   7.723  22.553  11.686
    2    HA   SER   1           HA       SER   1   6.228  21.094  11.393
    3   1HB   SER   1          2HB       SER   1   4.416  22.406  10.369
    4   2HB   SER   1          1HB       SER   1   5.365  22.607   8.899
    5    HG   SER   1           HG       SER   1   4.050  20.916   8.343
    6    H    LYS   2           H        LYS   2   6.901  19.213   9.030
    7    HA   LYS   2           HA       LYS   2   8.739  20.475   7.358
    8   1HB   LYS   2          2HB       LYS   2   8.954  17.773   8.736
    9   2HB   LYS   2          1HB       LYS   2   9.862  18.268   7.332
   10   1HG   LYS   2          2HG       LYS   2  11.066  19.906   8.715
   11   2HG   LYS   2          1HG       LYS   2  10.155  19.347  10.134
   12   1HD   LYS   2          2HD       LYS   2  10.955  17.060   9.708
   13   2HD   LYS   2          1HD       LYS   2  11.912  17.655   8.364
   14   1HE   LYS   2          2HE       LYS   2  13.331  18.878   9.831
   15   2HE   LYS   2          1HE       LYS   2  12.260  18.580  11.207
   16   1HZ   LYS   2          1HZ       LYS   2  12.722  16.308  11.136
   17   2HZ   LYS   2          2HZ       LYS   2  14.202  16.985  11.196
   18   3HZ   LYS   2          3HZ       LYS   2  13.573  16.350   9.722
   19    H    TRP   3           H        TRP   3   8.055  19.733   5.361
   20    HA   TRP   3           HA       TRP   3   6.288  17.440   5.402
   21   1HB   TRP   3          2HB       TRP   3   4.909  19.753   5.272
   22   2HB   TRP   3          1HB       TRP   3   5.752  19.969   3.755
   23    HD1  TRP   3           HD1      TRP   3   2.933  18.048   5.399
   24    HE1  TRP   3           HE1      TRP   3   1.415  17.084   3.597
   25    HE3  TRP   3           HE3      TRP   3   5.795  19.090   1.303
   26    HZ2  TRP   3           HZ2      TRP   3   1.413  16.785   0.781
   27    HZ3  TRP   3           HZ3      TRP   3   4.956  18.424  -0.917
   28    HH2  TRP   3           HH2      TRP   3   2.811  17.296  -1.168
   29    H    ILE   4           H        ILE   4   7.213  15.956   4.962
   30    HA   ILE   4           HA       ILE   4   8.995  16.019   2.650
   31    HB   ILE   4           HB       ILE   4  10.360  14.487   3.856
   32   1HG1  ILE   4          2HG1      ILE   4   8.398  14.612   6.166
   33   2HG1  ILE   4          1HG1      ILE   4   8.514  13.299   4.999
   34   1HG2  ILE   4          1HG2      ILE   4   9.700  16.772   5.707
   35   2HG2  ILE   4          2HG2      ILE   4  10.879  16.786   4.397
   36   3HG2  ILE   4          3HG2      ILE   4  11.148  15.771   5.815
   37   1HD1  ILE   4          1HD1      ILE   4   9.609  12.731   7.096
   38   2HD1  ILE   4          2HD1      ILE   4  10.665  14.136   6.931
   39   3HD1  ILE   4          3HD1      ILE   4  10.772  12.811   5.773
   40    H    LYS   5           H        LYS   5   9.378  13.305   2.392
   41    HA   LYS   5           HA       LYS   5   6.824  12.143   1.863
   42   1HB   LYS   5          2HB       LYS   5   7.589  13.725  -0.110
   43   2HB   LYS   5          1HB       LYS   5   8.996  12.690  -0.203
   44   1HG   LYS   5          2HG       LYS   5   7.538  10.778  -0.791
   45   2HG   LYS   5          1HG       LYS   5   6.132  11.842  -0.657
   46   1HD   LYS   5          2HD       LYS   5   6.999  13.206  -2.452
   47   2HD   LYS   5          1HD       LYS   5   8.449  12.207  -2.533
   48   1HE   LYS   5          2HE       LYS   5   7.000  10.256  -3.084
   49   2HE   LYS   5          1HE       LYS   5   5.613  11.342  -3.105
   50   1HZ   LYS   5          1HZ       LYS   5   6.667  12.557  -4.951
   51   2HZ   LYS   5          2HZ       LYS   5   6.430  10.939  -5.319
   52   3HZ   LYS   5          3HZ       LYS   5   7.964  11.469  -4.928
   53    H    PHE   6           H        PHE   6   8.081  10.154   0.545
   54    HA   PHE   6           HA       PHE   6  10.019   8.548   1.582
   55   1HB   PHE   6          2HB       PHE   6   9.259   9.648   3.930
   56   2HB   PHE   6          1HB       PHE   6   7.992   8.442   3.865
   57    HD1  PHE   6           HD1      PHE   6   8.370   6.609   5.212
   58    HD2  PHE   6           HD2      PHE   6  11.697   8.528   3.377
   59    HE1  PHE   6           HE1      PHE   6   9.886   5.001   6.283
   60    HE2  PHE   6           HE2      PHE   6  13.219   6.923   4.449
   61    HZ   PHE   6           HZ       PHE   6  12.319   5.160   5.898
   62    H    THR   7           H        THR   7   8.317   6.381   3.051
   63    HA   THR   7           HA       THR   7   7.935   4.839   0.652
   64    HB   THR   7           HB       THR   7   8.448   4.082   3.532
   65    HG1  THR   7           HG1      THR   7  10.662   4.170   1.740
   66   1HG2  THR   7          1HG2      THR   7   9.320   2.035   2.513
   67   2HG2  THR   7          2HG2      THR   7   9.093   2.720   0.906
   68   3HG2  THR   7          3HG2      THR   7   7.690   2.354   1.912
   69    H    THR   8           H        THR   8   5.518   4.014   0.789
   70    HA   THR   8           HA       THR   8   4.230   4.676   3.372
   71    HB   THR   8           HB       THR   8   2.852   5.015   0.848
   72    HG1  THR   8           HG1      THR   8   4.846   6.508   2.131
   73   1HG2  THR   8          1HG2      THR   8   1.775   4.875   3.039
   74   2HG2  THR   8          2HG2      THR   8   1.560   6.428   2.235
   75   3HG2  THR   8          3HG2      THR   8   2.715   6.267   3.571
   76    H    ASN   9           H        ASN   9   3.607   2.115   0.615
   77    HA   ASN   9           HA       ASN   9   1.559   1.530   2.321
   78   1HB   ASN   9          2HB       ASN   9   1.295   1.780  -0.152
   79   2HB   ASN   9          1HB       ASN   9   2.385   0.419  -0.381
   80   1HD2  ASN   9          1HD2      ASN   9   0.880  -0.806  -1.456
   81   2HD2  ASN   9          2HD2      ASN   9  -0.494  -1.504  -0.688
   82    H    LEU  10           H        LEU  10   4.668   0.819   2.746
   83    HA   LEU  10           HA       LEU  10   4.336  -2.060   3.276
   84   1HB   LEU  10          2HB       LEU  10   6.768  -0.234   3.198
   85   2HB   LEU  10          1HB       LEU  10   6.766  -1.929   3.616
   86    HG   LEU  10           HG       LEU  10   6.106  -2.403   1.215
   87   1HD1  LEU  10          1HD1      LEU  10   5.290  -0.205   0.585
   88   2HD1  LEU  10          2HD1      LEU  10   6.608  -0.720  -0.467
   89   3HD1  LEU  10          3HD1      LEU  10   6.905   0.467   0.803
   90   1HD2  LEU  10          1HD2      LEU  10   8.388  -2.155   0.386
   91   2HD2  LEU  10          2HD2      LEU  10   8.354  -2.769   2.039
   92   3HD2  LEU  10          3HD2      LEU  10   8.760  -1.080   1.732
   93    H    THR  11           H        THR  11   5.818  -2.495   5.501
   94    HA   THR  11           HA       THR  11   5.061  -0.626   7.193
   95    HB   THR  11           HB       THR  11   4.161  -2.573   8.677
   96    HG1  THR  11           HG1      THR  11   2.929  -3.622   6.444
   97   1HG2  THR  11          1HG2      THR  11   2.384  -1.404   6.550
   98   2HG2  THR  11          2HG2      THR  11   2.776  -0.656   8.103
   99   3HG2  THR  11          3HG2      THR  11   1.818  -2.136   8.050
  100    HA   PRO  12           HA       PRO  12   8.133  -4.122   8.197
  101   1HB   PRO  12          2HB       PRO  12   9.730  -4.669   5.876
  102   2HB   PRO  12          1HB       PRO  12   8.778  -5.795   6.849
  103   1HG   PRO  12          2HG       PRO  12   7.997  -4.252   4.426
  104   2HG   PRO  12          1HG       PRO  12   7.536  -5.896   4.916
  105   1HD   PRO  12          2HD       PRO  12   5.790  -3.984   5.171
  106   2HD   PRO  12          1HD       PRO  12   6.008  -5.132   6.480
  107    H    GLU  13           H        GLU  13   8.836  -1.764   5.546
  108    HA   GLU  13           HA       GLU  13  11.498  -1.140   6.387
  109   1HB   GLU  13          2HB       GLU  13  10.658  -0.683   4.086
  110   2HB   GLU  13          1HB       GLU  13   9.568   0.525   4.742
  111   1HG   GLU  13          2HG       GLU  13  11.458   1.648   3.797
  112   2HG   GLU  13          1HG       GLU  13  11.559   1.791   5.549
  113    H    GLU  14           H        GLU  14   8.369   0.513   6.637
  114    HA   GLU  14           HA       GLU  14   9.003   2.607   8.204
  115   1HB   GLU  14          2HB       GLU  14   6.427   1.029   8.007
  116   2HB   GLU  14          1HB       GLU  14   6.560   2.616   8.736
  117   1HG   GLU  14          2HG       GLU  14   5.700   3.045   6.588
  118   2HG   GLU  14          1HG       GLU  14   7.410   3.412   6.433
  119    H    ALA  15           H        ALA  15   8.531  -0.571   9.081
  120    HA   ALA  15           HA       ALA  15   8.189  -0.242  12.041
  121   1HB   ALA  15          1HB       ALA  15   9.153  -2.693  10.562
  122   2HB   ALA  15          2HB       ALA  15   7.449  -2.357  10.887
  123   3HB   ALA  15          3HB       ALA  15   8.576  -2.614  12.226
  124    H    LYS  16           H        LYS  16  10.906  -0.727   9.917
  125    HA   LYS  16           HA       LYS  16  12.780  -0.855  12.025
  126   1HB   LYS  16          2HB       LYS  16  13.204   0.070   9.177
  127   2HB   LYS  16          1HB       LYS  16  14.480  -0.350  10.313
  128   1HG   LYS  16          2HG       LYS  16  12.392  -2.223   9.215
  129   2HG   LYS  16          1HG       LYS  16  14.084  -2.158   8.727
  130   1HD   LYS  16          2HD       LYS  16  13.068  -2.853  11.497
  131   2HD   LYS  16          1HD       LYS  16  13.612  -4.011  10.291
  132   1HE   LYS  16          2HE       LYS  16  15.315  -1.846  11.540
  133   2HE   LYS  16          1HE       LYS  16  15.330  -3.540  11.997
  134   1HZ   LYS  16          1HZ       LYS  16  17.148  -3.005  10.518
  135   2HZ   LYS  16          2HZ       LYS  16  16.082  -2.471   9.326
  136   3HZ   LYS  16          3HZ       LYS  16  16.092  -4.096   9.782
  137    H    ILE  17           H        ILE  17  11.168   1.782  10.378
  138    HA   ILE  17           HA       ILE  17  12.783   4.033  11.165
  139    HB   ILE  17           HB       ILE  17  10.093   3.540   9.944
  140   1HG1  ILE  17          2HG1      ILE  17  10.977   4.995   8.169
  141   2HG1  ILE  17          1HG1      ILE  17  12.443   5.250   9.088
  142   1HG2  ILE  17          1HG2      ILE  17   9.651   5.280  11.577
  143   2HG2  ILE  17          2HG2      ILE  17   9.639   5.960   9.955
  144   3HG2  ILE  17          3HG2      ILE  17  11.038   6.207  11.006
  145   1HD1  ILE  17          1HD1      ILE  17  12.819   3.697   7.277
  146   2HD1  ILE  17          2HD1      ILE  17  11.517   2.662   7.867
  147   3HD1  ILE  17          3HD1      ILE  17  12.980   2.869   8.824
  148    H    VAL  18           H        VAL  18  10.040   2.284  12.486
  149    HA   VAL  18           HA       VAL  18   9.309   4.161  14.431
  150    HB   VAL  18           HB       VAL  18   9.043   1.145  14.549
  151   1HG1  VAL  18          1HG1      VAL  18   7.558   3.255  16.121
  152   2HG1  VAL  18          2HG1      VAL  18   8.739   2.117  16.765
  153   3HG1  VAL  18          3HG1      VAL  18   7.202   1.527  16.131
  154   1HG2  VAL  18          1HG2      VAL  18   7.105   3.244  13.589
  155   2HG2  VAL  18          2HG2      VAL  18   6.771   1.515  13.721
  156   3HG2  VAL  18          3HG2      VAL  18   7.983   2.093  12.584
  157    H    GLN  19           H        GLN  19  11.571   1.323  14.735
  158    HA   GLN  19           HA       GLN  19  12.139   2.012  17.397
  159   1HB   GLN  19          2HB       GLN  19  13.484   0.130  15.472
  160   2HB   GLN  19          1HB       GLN  19  13.931   0.287  17.165
  161   1HG   GLN  19          2HG       GLN  19  11.237  -0.547  16.115
  162   2HG   GLN  19          1HG       GLN  19  12.455  -1.622  16.794
  163   1HE2  GLN  19          1HE2      GLN  19  13.201   0.252  18.957
  164   2HE2  GLN  19          2HE2      GLN  19  11.879   0.229  20.061
  165    H    TYR  20           H        TYR  20  13.619   2.212  14.501
  166    HA   TYR  20           HA       TYR  20  15.921   3.243  14.964
  167   1HB   TYR  20          2HB       TYR  20  15.373   2.896  12.612
  168   2HB   TYR  20          1HB       TYR  20  14.376   4.335  12.600
  169    HD1  TYR  20           HD1      TYR  20  15.454   6.575  12.501
  170    HD2  TYR  20           HD2      TYR  20  17.697   2.978  12.180
  171    HE1  TYR  20           HE1      TYR  20  17.294   7.825  11.470
  172    HE2  TYR  20           HE2      TYR  20  19.550   4.221  11.169
  173    HH   TYR  20           HH       TYR  20  19.517   6.455   9.716
  174    H    GLU  21           H        GLU  21  13.170   5.209  14.450
  175    HA   GLU  21           HA       GLU  21  14.263   7.496  15.559
  176   1HB   GLU  21          2HB       GLU  21  11.549   7.304  14.564
  177   2HB   GLU  21          1HB       GLU  21  12.012   8.670  15.593
  178   1HG   GLU  21          2HG       GLU  21  13.337   7.772  13.046
  179   2HG   GLU  21          1HG       GLU  21  12.552   9.324  13.380
  180    H    LEU  22           H        LEU  22  15.132   6.566  16.911
  181    HA   LEU  22           HA       LEU  22  14.668   7.736  19.686
  182   1HB   LEU  22          2HB       LEU  22  16.459   5.539  18.742
  183   2HB   LEU  22          1HB       LEU  22  16.242   6.159  20.362
  184    HG   LEU  22           HG       LEU  22  14.303   4.452  18.801
  185   1HD1  LEU  22          1HD1      LEU  22  16.236   3.257  19.677
  186   2HD1  LEU  22          2HD1      LEU  22  14.756   2.793  20.514
  187   3HD1  LEU  22          3HD1      LEU  22  15.903   3.888  21.289
  188   1HD2  LEU  22          1HD2      LEU  22  13.079   6.060  20.173
  189   2HD2  LEU  22          2HD2      LEU  22  14.038   5.610  21.582
  190   3HD2  LEU  22          3HD2      LEU  22  12.944   4.437  20.851
  191    H    SER  23           H        SER  23  16.484   7.757  16.572
  192    HA   SER  23           HA       SER  23  18.724   8.571  17.511
  193   1HB   SER  23          2HB       SER  23  17.464   9.626  14.990
  194   2HB   SER  23          1HB       SER  23  19.166   9.265  15.276
  195    HG   SER  23           HG       SER  23  17.124   7.737  14.520
  196    H    THR  24           H        THR  24  15.843  10.541  16.636
  197    HA   THR  24           HA       THR  24  17.222  13.000  17.058
  198    HB   THR  24           HB       THR  24  14.929  14.006  16.664
  199    HG1  THR  24           HG1      THR  24  14.120  11.404  15.899
  200   1HG2  THR  24          1HG2      THR  24  16.498  13.628  14.791
  201   2HG2  THR  24          2HG2      THR  24  14.829  13.360  14.282
  202   3HG2  THR  24          3HG2      THR  24  15.878  11.986  14.619
  203    H    ARG  25           H        ARG  25  14.226  12.262  18.302
  204    HA   ARG  25           HA       ARG  25  13.120  12.640  20.563
  205   1HB   ARG  25          2HB       ARG  25  15.713  11.360  21.322
  206   2HB   ARG  25          1HB       ARG  25  14.350  11.636  22.394
  207   1HG   ARG  25          2HG       ARG  25  12.987  10.176  20.900
  208   2HG   ARG  25          1HG       ARG  25  14.469   9.825  20.006
  209   1HD   ARG  25          2HD       ARG  25  14.008   8.108  21.699
  210   2HD   ARG  25          1HD       ARG  25  15.515   8.972  22.025
  211    HE   ARG  25           HE       ARG  25  13.261  10.137  23.297
  212   1HH1  ARG  25          1HH1      ARG  25  15.577   7.491  23.620
  213   2HH1  ARG  25          2HH1      ARG  25  15.550   7.470  25.312
  214   1HH2  ARG  25          1HH2      ARG  25  13.269  10.158  25.663
  215   2HH2  ARG  25          2HH2      ARG  25  14.207   9.021  26.502
  216    H    ASP  26           H        ASP  26  12.876  13.652  22.396
  217    HA   ASP  26           HA       ASP  26  13.062  15.064  23.899
  218   1HB   ASP  26          2HB       ASP  26  15.977  15.434  23.097
  219   2HB   ASP  26          1HB       ASP  26  15.284  16.197  24.519
  220    H    GLU  27           H        GLU  27  12.212  15.655  21.585
  221    HA   GLU  27           HA       GLU  27  12.121  18.387  20.543
  222   1HB   GLU  27          2HB       GLU  27  14.658  17.614  20.332
  223   2HB   GLU  27          1HB       GLU  27  14.023  16.709  18.974
  224   1HG   GLU  27          2HG       GLU  27  14.861  18.758  18.139
  225   2HG   GLU  27          1HG       GLU  27  13.099  18.844  18.084
  226    H    PHE  28           H        PHE  28  12.217  14.961  19.963
  227    HA   PHE  28           HA       PHE  28  10.539  15.073  17.627
  228   1HB   PHE  28          2HB       PHE  28  12.398  13.438  17.930
  229   2HB   PHE  28          1HB       PHE  28  11.580  12.818  19.343
  230    HD1  PHE  28           HD1      PHE  28  11.446  13.030  15.684
  231    HD2  PHE  28           HD2      PHE  28   9.956  11.125  19.160
  232    HE1  PHE  28           HE1      PHE  28  10.458  11.268  14.277
  233    HE2  PHE  28           HE2      PHE  28   8.962   9.358  17.773
  234    HZ   PHE  28           HZ       PHE  28   9.212   9.426  15.328
  235    H    TYR  29           H        TYR  29   8.538  15.699  18.013
  236    HA   TYR  29           HA       TYR  29   6.951  13.952  19.690
  237   1HB   TYR  29          2HB       TYR  29   7.171  15.934  21.079
  238   2HB   TYR  29          1HB       TYR  29   6.742  16.986  19.740
  239    HD1  TYR  29           HD1      TYR  29   5.386  14.409  22.049
  240    HD2  TYR  29           HD2      TYR  29   4.477  17.467  19.239
  241    HE1  TYR  29           HE1      TYR  29   2.998  14.287  22.680
  242    HE2  TYR  29           HE2      TYR  29   2.112  17.355  19.856
  243    HH   TYR  29           HH       TYR  29   0.976  15.810  22.584
  244    H    ARG  30           H        ARG  30   6.217  16.759  17.791
  245    HA   ARG  30           HA       ARG  30   3.939  15.613  16.579
  246   1HB   ARG  30          2HB       ARG  30   4.472  18.091  16.668
  247   2HB   ARG  30          1HB       ARG  30   5.569  17.823  15.325
  248   1HG   ARG  30          2HG       ARG  30   3.606  18.674  14.363
  249   2HG   ARG  30          1HG       ARG  30   3.573  16.941  14.045
  250   1HD   ARG  30          2HD       ARG  30   2.135  18.281  16.334
  251   2HD   ARG  30          1HD       ARG  30   1.383  17.889  14.795
  252    HE   ARG  30           HE       ARG  30   2.223  15.494  15.505
  253   1HH1  ARG  30          1HH1      ARG  30   0.677  17.937  17.505
  254   2HH1  ARG  30          2HH1      ARG  30  -0.056  16.850  18.577
  255   1HH2  ARG  30          1HH2      ARG  30   1.215  13.947  16.978
  256   2HH2  ARG  30          2HH2      ARG  30   0.245  14.499  18.236
  257    H    VAL  31           H        VAL  31   3.976  13.746  15.529
  258    HA   VAL  31           HA       VAL  31   5.481  13.414  12.972
  259    HB   VAL  31           HB       VAL  31   4.954  11.335  15.095
  260   1HG1  VAL  31          1HG1      VAL  31   5.031  10.428  12.881
  261   2HG1  VAL  31          2HG1      VAL  31   6.472   9.930  13.767
  262   3HG1  VAL  31          3HG1      VAL  31   6.578  11.205  12.560
  263   1HG2  VAL  31          1HG2      VAL  31   7.595  12.694  14.528
  264   2HG2  VAL  31          2HG2      VAL  31   7.367  11.283  15.560
  265   3HG2  VAL  31          3HG2      VAL  31   6.636  12.825  15.998
  266    H    PHE  32           H        PHE  32   3.886  12.813  11.207
  267    HA   PHE  32           HA       PHE  32   1.852  11.047  11.990
  268   1HB   PHE  32          2HB       PHE  32   1.412  13.592  10.374
  269   2HB   PHE  32          1HB       PHE  32   0.295  12.252  10.510
  270    HD1  PHE  32           HD1      PHE  32   1.377  15.379  11.852
  271    HD2  PHE  32           HD2      PHE  32  -0.829  11.850  12.720
  272    HE1  PHE  32           HE1      PHE  32   0.211  16.553  13.662
  273    HE2  PHE  32           HE2      PHE  32  -1.996  13.020  14.538
  274    HZ   PHE  32           HZ       PHE  32  -1.475  15.383  15.004
  275    H    ILE  33           H        ILE  33   1.855   9.487  10.789
  276    HA   ILE  33           HA       ILE  33   2.785   9.821   8.041
  277    HB   ILE  33           HB       ILE  33   3.829   7.598   8.026
  278   1HG1  ILE  33          2HG1      ILE  33   2.509   6.546   9.902
  279   2HG1  ILE  33          1HG1      ILE  33   4.225   6.189   9.953
  280   1HG2  ILE  33          1HG2      ILE  33   5.044   9.327  10.145
  281   2HG2  ILE  33          2HG2      ILE  33   5.328   9.393   8.407
  282   3HG2  ILE  33          3HG2      ILE  33   5.857   7.990   9.332
  283   1HD1  ILE  33          1HD1      ILE  33   4.492   7.828  11.755
  284   2HD1  ILE  33          2HD1      ILE  33   3.312   6.583  12.168
  285   3HD1  ILE  33          3HD1      ILE  33   2.768   8.188  11.683
  286    H    ASN  34           H        ASN  34   1.343   8.438   6.438
  287    HA   ASN  34           HA       ASN  34  -0.604   7.008   7.933
  288   1HB   ASN  34          2HB       ASN  34  -1.007   8.711   5.445
  289   2HB   ASN  34          1HB       ASN  34  -2.224   7.663   6.155
  290   1HD2  ASN  34          1HD2      ASN  34  -0.651  10.710   6.285
  291   2HD2  ASN  34          2HD2      ASN  34  -1.585  11.369   7.574
  292    HA   PRO  35           HA       PRO  35   1.811   4.429   5.054
  293   1HB   PRO  35          2HB       PRO  35   1.204   2.241   6.901
  294   2HB   PRO  35          1HB       PRO  35   2.774   2.900   6.434
  295   1HG   PRO  35          2HG       PRO  35   1.735   3.244   8.907
  296   2HG   PRO  35          1HG       PRO  35   2.766   4.460   8.128
  297   1HD   PRO  35          2HD       PRO  35  -0.222   4.387   8.370
  298   2HD   PRO  35          1HD       PRO  35   0.900   5.750   8.593
  299    H    TYR  36           H        TYR  36   0.321   4.310   3.264
  300    HA   TYR  36           HA       TYR  36  -0.976   1.920   2.921
  301   1HB   TYR  36          2HB       TYR  36  -2.615   3.147   4.456
  302   2HB   TYR  36          1HB       TYR  36  -2.835   4.301   3.149
  303    HD1  TYR  36           HD1      TYR  36  -3.464   0.908   4.315
  304    HD2  TYR  36           HD2      TYR  36  -4.122   3.670   1.152
  305    HE1  TYR  36           HE1      TYR  36  -5.226  -0.537   3.438
  306    HE2  TYR  36           HE2      TYR  36  -5.903   2.220   0.256
  307    HH   TYR  36           HH       TYR  36  -6.514  -0.176   0.369
  308    H    ALA  37           H        ALA  37  -0.702   5.379   2.285
  309    HA   ALA  37           HA       ALA  37  -1.690   5.490  -0.326
  310   1HB   ALA  37          1HB       ALA  37   0.045   7.497   1.058
  311   2HB   ALA  37          2HB       ALA  37  -1.706   7.344   1.226
  312   3HB   ALA  37          3HB       ALA  37  -1.001   7.779  -0.329
  313    H    LYS  38           H        LYS  38   1.236   4.181   0.363
  314    HA   LYS  38           HA       LYS  38   3.457   4.257  -0.635
  315   1HB   LYS  38          2HB       LYS  38   3.518   3.311  -2.906
  316   2HB   LYS  38          1HB       LYS  38   2.423   2.440  -1.873
  317   1HG   LYS  38          2HG       LYS  38   1.485   4.478  -3.880
  318   2HG   LYS  38          1HG       LYS  38   1.769   2.801  -4.310
  319   1HD   LYS  38          2HD       LYS  38   0.092   2.133  -2.618
  320   2HD   LYS  38          1HD       LYS  38  -0.201   3.839  -2.270
  321   1HE   LYS  38          2HE       LYS  38  -0.839   4.188  -4.625
  322   2HE   LYS  38          1HE       LYS  38  -0.575   2.470  -4.918
  323   1HZ   LYS  38          1HZ       LYS  38  -2.328   1.975  -3.342
  324   2HZ   LYS  38          2HZ       LYS  38  -2.888   2.923  -4.600
  325   3HZ   LYS  38          3HZ       LYS  38  -2.594   3.625  -3.084
  326    H    VAL  39           H        VAL  39   3.523   6.620  -0.090
  327    HA   VAL  39           HA       VAL  39   5.045   8.131  -1.562
  328    HB   VAL  39           HB       VAL  39   3.411  10.124  -2.202
  329   1HG1  VAL  39          1HG1      VAL  39   3.361   9.454  -4.535
  330   2HG1  VAL  39          2HG1      VAL  39   3.838   7.818  -4.063
  331   3HG1  VAL  39          3HG1      VAL  39   4.924   9.178  -3.772
  332   1HG2  VAL  39          1HG2      VAL  39   1.242   9.070  -1.616
  333   2HG2  VAL  39          2HG2      VAL  39   1.574   7.776  -2.752
  334   3HG2  VAL  39          3HG2      VAL  39   1.325   9.410  -3.345
  335    H    ALA  40           H        ALA  40   2.261   9.534  -0.406
  336    HA   ALA  40           HA       ALA  40   1.582  10.362   1.953
  337   1HB   ALA  40          1HB       ALA  40   4.179   9.120   2.754
  338   2HB   ALA  40          2HB       ALA  40   2.663   8.222   2.691
  339   3HB   ALA  40          3HB       ALA  40   2.811   9.613   3.760
  340    H    GLU  41           H        GLU  41   2.375  11.706   3.672
  341    HA   GLU  41           HA       GLU  41   4.416  13.445   2.817
  342   1HB   GLU  41          2HB       GLU  41   3.017  15.290   3.467
  343   2HB   GLU  41          1HB       GLU  41   2.229  14.451   2.155
  344   1HG   GLU  41          2HG       GLU  41   1.476  14.073   5.051
  345   2HG   GLU  41          1HG       GLU  41   0.760  15.304   4.022
  346    H    VAL  42           H        VAL  42   5.566  13.815   4.588
  347    HA   VAL  42           HA       VAL  42   4.415  12.974   7.209
  348    HB   VAL  42           HB       VAL  42   7.306  12.456   6.426
  349   1HG1  VAL  42          1HG1      VAL  42   7.407  11.126   8.481
  350   2HG1  VAL  42          2HG1      VAL  42   5.737  11.574   8.836
  351   3HG1  VAL  42          3HG1      VAL  42   6.986  12.813   8.763
  352   1HG2  VAL  42          1HG2      VAL  42   6.824  10.030   6.408
  353   2HG2  VAL  42          2HG2      VAL  42   6.016  10.902   5.109
  354   3HG2  VAL  42          3HG2      VAL  42   5.099  10.393   6.528
  355    H    VAL  43           H        VAL  43   4.170  14.190   8.407
  356    HA   VAL  43           HA       VAL  43   5.915  16.370   8.373
  357    HB   VAL  43           HB       VAL  43   3.250  16.192   9.812
  358   1HG1  VAL  43          1HG1      VAL  43   3.448  18.540  10.429
  359   2HG1  VAL  43          2HG1      VAL  43   5.081  18.580   9.764
  360   3HG1  VAL  43          3HG1      VAL  43   4.728  17.574  11.169
  361   1HG2  VAL  43          1HG2      VAL  43   4.150  17.877   7.474
  362   2HG2  VAL  43          2HG2      VAL  43   2.544  17.921   8.207
  363   3HG2  VAL  43          3HG2      VAL  43   3.107  16.457   7.403
  364    H    ILE  44           H        ILE  44   7.494  16.384   9.860
  365    HA   ILE  44           HA       ILE  44   7.060  15.386  12.539
  366    HB   ILE  44           HB       ILE  44   9.417  14.441  12.494
  367   1HG1  ILE  44          2HG1      ILE  44   9.067  14.627   9.485
  368   2HG1  ILE  44          1HG1      ILE  44  10.215  15.516  10.483
  369   1HG2  ILE  44          1HG2      ILE  44   8.805  12.285  11.500
  370   2HG2  ILE  44          2HG2      ILE  44   7.376  13.047  10.794
  371   3HG2  ILE  44          3HG2      ILE  44   7.554  12.961  12.540
  372   1HD1  ILE  44          1HD1      ILE  44  11.376  13.463  11.036
  373   2HD1  ILE  44          2HD1      ILE  44  11.281  13.664   9.286
  374   3HD1  ILE  44          3HD1      ILE  44  10.206  12.531  10.106
  375    H    ASP  45           H        ASP  45   7.701  16.680  14.002
  376    HA   ASP  45           HA       ASP  45   9.308  18.916  13.068
  377   1HB   ASP  45          2HB       ASP  45   7.296  18.860  15.266
  378   2HB   ASP  45          1HB       ASP  45   8.599  20.033  15.314
  379    H    ASP  46           H        ASP  46   9.932  16.041  14.847
  380    HA   ASP  46           HA       ASP  46  11.600  15.893  16.373
  381   1HB   ASP  46          2HB       ASP  46  12.990  14.478  15.058
  382   2HB   ASP  46          1HB       ASP  46  11.345  14.404  14.406
  383    H    SER  47           H        SER  47  12.446  18.509  13.973
  384    HA   SER  47           HA       SER  47  14.086  19.369  13.501
  385   1HB   SER  47          2HB       SER  47  14.121  19.926  16.467
  386   2HB   SER  47          1HB       SER  47  14.814  20.960  15.217
  387    HG   SER  47           HG       SER  47  12.080  20.192  15.312
  388    H    LYS  48           H        LYS  48  15.557  17.676  16.347
  389    HA   LYS  48           HA       LYS  48  17.927  17.820  16.632
  390   1HB   LYS  48          2HB       LYS  48  16.682  15.500  16.045
  391   2HB   LYS  48          1HB       LYS  48  17.834  15.515  14.736
  392   1HG   LYS  48          2HG       LYS  48  18.410  15.439  17.704
  393   2HG   LYS  48          1HG       LYS  48  18.716  14.191  16.510
  394   1HD   LYS  48          2HD       LYS  48  20.834  15.000  16.682
  395   2HD   LYS  48          1HD       LYS  48  20.230  16.142  15.484
  396   1HE   LYS  48          2HE       LYS  48  21.437  17.325  17.240
  397   2HE   LYS  48          1HE       LYS  48  19.741  17.756  17.305
  398   1HZ   LYS  48          1HZ       LYS  48  21.064  15.754  19.074
  399   2HZ   LYS  48          2HZ       LYS  48  19.457  16.181  19.155
  400   3HZ   LYS  48          3HZ       LYS  48  20.634  17.305  19.531
  401    H    VAL  49           H        VAL  49  18.119  16.472  13.425
  402    HA   VAL  49           HA       VAL  49  19.013  18.881  12.397
  403    HB   VAL  49           HB       VAL  49  21.029  16.582  12.079
  404   1HG1  VAL  49          1HG1      VAL  49  21.235  19.464  11.225
  405   2HG1  VAL  49          2HG1      VAL  49  20.906  18.106  10.163
  406   3HG1  VAL  49          3HG1      VAL  49  22.468  18.225  10.988
  407   1HG2  VAL  49          1HG2      VAL  49  22.607  17.916  13.412
  408   2HG2  VAL  49          2HG2      VAL  49  21.179  17.498  14.360
  409   3HG2  VAL  49          3HG2      VAL  49  21.354  19.120  13.699
  410    H    ASN  50           H        ASN  50  18.328  18.843  10.147
  411    HA   ASN  50           HA       ASN  50  16.632  16.746   9.288
  412   1HB   ASN  50          2HB       ASN  50  16.460  19.123   8.567
  413   2HB   ASN  50          1HB       ASN  50  17.903  18.911   7.597
  414   1HD2  ASN  50          1HD2      ASN  50  15.153  16.572   7.862
  415   2HD2  ASN  50          2HD2      ASN  50  14.712  16.761   6.247
  416    H    ILE  51           H        ILE  51  19.635  17.522   8.488
  417    HA   ILE  51           HA       ILE  51  20.336  16.032   6.429
  418    HB   ILE  51           HB       ILE  51  22.151  17.405   7.411
  419   1HG1  ILE  51          2HG1      ILE  51  24.095  16.065   6.665
  420   2HG1  ILE  51          1HG1      ILE  51  23.071  14.633   6.631
  421   1HG2  ILE  51          1HG2      ILE  51  22.090  16.500   9.696
  422   2HG2  ILE  51          2HG2      ILE  51  23.717  16.484   9.024
  423   3HG2  ILE  51          3HG2      ILE  51  22.781  14.991   9.105
  424   1HD1  ILE  51          1HD1      ILE  51  22.727  17.089   4.919
  425   2HD1  ILE  51          2HD1      ILE  51  21.717  15.644   4.867
  426   3HD1  ILE  51          3HD1      ILE  51  23.413  15.549   4.404
  427    H    GLU  52           H        GLU  52  19.992  14.395   9.783
  428    HA   GLU  52           HA       GLU  52  21.111  11.932   9.105
  429   1HB   GLU  52          2HB       GLU  52  19.255  12.915  11.259
  430   2HB   GLU  52          1HB       GLU  52  20.066  11.352  11.219
  431   1HG   GLU  52          2HG       GLU  52  22.248  12.574  11.146
  432   2HG   GLU  52          1HG       GLU  52  21.358  14.066  11.402
  433    H    GLU  53           H        GLU  53  17.883  13.341   9.323
  434    HA   GLU  53           HA       GLU  53  16.155  11.403   8.887
  435   1HB   GLU  53          2HB       GLU  53  15.701  13.721   9.257
  436   2HB   GLU  53          1HB       GLU  53  16.179  14.102   7.617
  437   1HG   GLU  53          2HG       GLU  53  14.307  12.621   6.852
  438   2HG   GLU  53          1HG       GLU  53  13.772  12.590   8.539
  439    H    LEU  54           H        LEU  54  17.971  13.363   6.687
  440    HA   LEU  54           HA       LEU  54  17.044  12.716   4.160
  441   1HB   LEU  54          2HB       LEU  54  18.345  14.732   4.778
  442   2HB   LEU  54          1HB       LEU  54  19.747  13.750   5.068
  443    HG   LEU  54           HG       LEU  54  19.791  15.133   2.985
  444   1HD1  LEU  54          1HD1      LEU  54  20.717  13.419   1.514
  445   2HD1  LEU  54          2HD1      LEU  54  20.083  12.173   2.593
  446   3HD1  LEU  54          3HD1      LEU  54  21.310  13.302   3.169
  447   1HD2  LEU  54          1HD2      LEU  54  17.472  14.909   2.314
  448   2HD2  LEU  54          2HD2      LEU  54  17.699  13.184   2.026
  449   3HD2  LEU  54          3HD2      LEU  54  18.543  14.364   1.022
  450    H    LYS  55           H        LYS  55  19.168  11.181   6.247
  451    HA   LYS  55           HA       LYS  55  20.509   9.371   4.244
  452   1HB   LYS  55          2HB       LYS  55  20.386   9.055   7.240
  453   2HB   LYS  55          1HB       LYS  55  21.461   8.244   6.115
  454   1HG   LYS  55          2HG       LYS  55  21.538  11.172   6.826
  455   2HG   LYS  55          1HG       LYS  55  22.629   9.926   7.429
  456   1HD   LYS  55          2HD       LYS  55  23.363   9.500   5.104
  457   2HD   LYS  55          1HD       LYS  55  22.331  10.826   4.565
  458   1HE   LYS  55          2HE       LYS  55  24.609  11.620   4.793
  459   2HE   LYS  55          1HE       LYS  55  23.595  12.362   6.029
  460   1HZ   LYS  55          1HZ       LYS  55  24.434  10.699   7.610
  461   2HZ   LYS  55          2HZ       LYS  55  25.652  11.664   7.005
  462   3HZ   LYS  55          3HZ       LYS  55  25.474  10.088   6.435
  463    H    GLU  56           H        GLU  56  17.629   8.840   6.518
  464    HA   GLU  56           HA       GLU  56  17.624   6.233   5.510
  465   1HB   GLU  56          2HB       GLU  56  15.428   7.834   6.848
  466   2HB   GLU  56          1HB       GLU  56  15.399   6.095   6.594
  467   1HG   GLU  56          2HG       GLU  56  17.329   7.619   8.317
  468   2HG   GLU  56          1HG       GLU  56  16.008   6.592   8.867
  469    H    LYS  57           H        LYS  57  15.736   8.937   4.429
  470    HA   LYS  57           HA       LYS  57  14.232   7.501   2.568
  471   1HB   LYS  57          2HB       LYS  57  13.745   9.674   1.447
  472   2HB   LYS  57          1HB       LYS  57  13.577   9.719   3.193
  473   1HG   LYS  57          2HG       LYS  57  15.889  10.722   3.273
  474   2HG   LYS  57          1HG       LYS  57  15.793  10.868   1.520
  475   1HD   LYS  57          2HD       LYS  57  15.132  12.973   2.446
  476   2HD   LYS  57          1HD       LYS  57  13.676  12.188   1.833
  477   1HE   LYS  57          2HE       LYS  57  13.108  11.446   4.117
  478   2HE   LYS  57          1HE       LYS  57  14.577  12.201   4.724
  479   1HZ   LYS  57          1HZ       LYS  57  13.661  14.349   3.925
  480   2HZ   LYS  57          2HZ       LYS  57  12.755  13.701   5.130
  481   3HZ   LYS  57          3HZ       LYS  57  12.244  13.566   3.496
  482    H    LEU  58           H        LEU  58  17.161   8.546   2.307
  483    HA   LEU  58           HA       LEU  58  17.879   7.693  -0.583
  484   1HB   LEU  58          2HB       LEU  58  19.628   8.578   1.697
  485   2HB   LEU  58          1HB       LEU  58  20.253   7.752   0.289
  486    HG   LEU  58           HG       LEU  58  19.585   9.601  -1.145
  487   1HD1  LEU  58          1HD1      LEU  58  18.722  11.695  -0.255
  488   2HD1  LEU  58          2HD1      LEU  58  18.565  10.954   1.339
  489   3HD1  LEU  58          3HD1      LEU  58  17.588  10.366  -0.007
  490   1HD2  LEU  58          1HD2      LEU  58  21.123  10.487   1.282
  491   2HD2  LEU  58          2HD2      LEU  58  21.110  11.308  -0.275
  492   3HD2  LEU  58          3HD2      LEU  58  21.773   9.679  -0.146
  493    H    LYS  59           H        LYS  59  17.520   5.621   2.195
  494    HA   LYS  59           HA       LYS  59  19.057   3.715   1.041
  495   1HB   LYS  59          2HB       LYS  59  16.678   3.489   2.788
  496   2HB   LYS  59          1HB       LYS  59  17.862   2.230   2.501
  497   1HG   LYS  59          2HG       LYS  59  19.573   3.684   3.528
  498   2HG   LYS  59          1HG       LYS  59  18.298   4.855   3.899
  499   1HD   LYS  59          2HD       LYS  59  18.482   2.005   4.854
  500   2HD   LYS  59          1HD       LYS  59  18.660   3.459   5.840
  501   1HE   LYS  59          2HE       LYS  59  16.302   4.066   5.272
  502   2HE   LYS  59          1HE       LYS  59  16.155   2.530   4.422
  503   1HZ   LYS  59          1HZ       LYS  59  16.547   3.011   7.276
  504   2HZ   LYS  59          2HZ       LYS  59  16.821   1.492   6.581
  505   3HZ   LYS  59          3HZ       LYS  59  15.261   2.169   6.511
  506    H    GLY  60           H        GLY  60  15.328   3.833   1.153
  507   1HA   GLY  60          2HA       GLY  60  15.279   1.228  -0.010
  508   2HA   GLY  60          1HA       GLY  60  13.972   2.120   0.695
  509    H    GLU  61           H        GLU  61  12.573   2.647  -0.505
  510    HA   GLU  61           HA       GLU  61  12.177   1.573  -3.342
  511   1HB   GLU  61          2HB       GLU  61  10.400   3.571  -1.923
  512   2HB   GLU  61          1HB       GLU  61   9.968   2.473  -3.225
  513   1HG   GLU  61          2HG       GLU  61  10.526   1.725  -0.366
  514   2HG   GLU  61          1HG       GLU  61   8.957   1.730  -1.169
  515    H    VAL  62           H        VAL  62  12.278   3.088  -5.955
  516    HA   VAL  62           HA       VAL  62  14.103   4.008  -5.320
  517    HB   VAL  62           HB       VAL  62  12.445   3.174  -7.723
  518   1HG1  VAL  62          1HG1      VAL  62  13.847   5.092  -8.254
  519   2HG1  VAL  62          2HG1      VAL  62  14.439   3.636  -9.047
  520   3HG1  VAL  62          3HG1      VAL  62  15.248   4.247  -7.606
  521   1HG2  VAL  62          1HG2      VAL  62  13.319   1.255  -6.488
  522   2HG2  VAL  62          2HG2      VAL  62  14.946   1.937  -6.561
  523   3HG2  VAL  62          3HG2      VAL  62  14.131   1.439  -8.040
  524    H    ILE  63           H        ILE  63  13.669   5.958  -4.892
  525    HA   ILE  63           HA       ILE  63  13.567   8.192  -5.868
  526    HB   ILE  63           HB       ILE  63  10.759   7.384  -6.822
  527   1HG1  ILE  63          2HG1      ILE  63  13.188   8.270  -8.394
  528   2HG1  ILE  63          1HG1      ILE  63  12.686   6.602  -8.144
  529   1HG2  ILE  63          1HG2      ILE  63  12.097  10.078  -7.068
  530   2HG2  ILE  63          2HG2      ILE  63  10.667   9.722  -6.098
  531   3HG2  ILE  63          3HG2      ILE  63  10.589   9.623  -7.859
  532   1HD1  ILE  63          1HD1      ILE  63  11.104   8.714  -9.557
  533   2HD1  ILE  63          2HD1      ILE  63  10.633   7.026  -9.332
  534   3HD1  ILE  63          3HD1      ILE  63  12.038   7.426 -10.324
  535    H    GLU  64           H        GLU  64  12.553   6.453  -3.350
  536    HA   GLU  64           HA       GLU  64  11.206   8.099  -1.676
  537   1HB   GLU  64          2HB       GLU  64  11.888   5.693  -1.522
  538   2HB   GLU  64          1HB       GLU  64  13.545   6.196  -1.371
  539   1HG   GLU  64          2HG       GLU  64  12.978   7.216   0.806
  540   2HG   GLU  64          1HG       GLU  64  11.334   6.585   0.624
  541    H    GLU  65           H        GLU  65  14.383   8.057  -3.093
  542    HA   GLU  65           HA       GLU  65  15.994   9.681  -1.494
  543   1HB   GLU  65          2HB       GLU  65  17.344  10.050  -3.508
  544   2HB   GLU  65          1HB       GLU  65  16.907   8.354  -3.323
  545   1HG   GLU  65          2HG       GLU  65  15.441   8.390  -5.107
  546   2HG   GLU  65          1HG       GLU  65  15.180  10.125  -4.983
  547    H    LYS  66           H        LYS  66  13.220  10.755  -3.397
  548    HA   LYS  66           HA       LYS  66  14.739  12.912  -3.970
  549   1HB   LYS  66          2HB       LYS  66  12.050  12.257  -5.113
  550   2HB   LYS  66          1HB       LYS  66  12.729  13.852  -5.415
  551   1HG   LYS  66          2HG       LYS  66  14.777  12.716  -6.278
  552   2HG   LYS  66          1HG       LYS  66  13.915  11.190  -6.126
  553   1HD   LYS  66          2HD       LYS  66  12.184  12.045  -7.662
  554   2HD   LYS  66          1HD       LYS  66  13.123  13.526  -7.840
  555   1HE   LYS  66          2HE       LYS  66  14.040  10.750  -8.570
  556   2HE   LYS  66          1HE       LYS  66  13.574  12.020  -9.698
  557   1HZ   LYS  66          1HZ       LYS  66  15.905  12.073  -7.845
  558   2HZ   LYS  66          2HZ       LYS  66  15.423  13.365  -8.834
  559   3HZ   LYS  66          3HZ       LYS  66  15.957  11.928  -9.528
  560    H    GLU  67           H        GLU  67  13.929  15.165  -2.537
  561    HA   GLU  67           HA       GLU  67  11.742  14.372  -0.919
  562   1HB   GLU  67          2HB       GLU  67  13.686  13.787   0.225
  563   2HB   GLU  67          1HB       GLU  67  14.490  15.287  -0.194
  564   1HG   GLU  67          2HG       GLU  67  13.759  15.120   2.142
  565   2HG   GLU  67          1HG       GLU  67  13.126  16.514   1.275
  566    H    ILE  68           H        ILE  68  10.259  15.896  -1.254
  567    HA   ILE  68           HA       ILE  68  10.488  18.704  -1.682
  568    HB   ILE  68           HB       ILE  68   8.357  17.447  -1.834
  569   1HG1  ILE  68          2HG1      ILE  68   6.911  19.139  -0.581
  570   2HG1  ILE  68          1HG1      ILE  68   8.425  19.836  -0.017
  571   1HG2  ILE  68          1HG2      ILE  68   7.017  16.848   0.044
  572   2HG2  ILE  68          2HG2      ILE  68   8.305  17.294   1.139
  573   3HG2  ILE  68          3HG2      ILE  68   8.534  15.946   0.020
  574   1HD1  ILE  68          1HD1      ILE  68   9.102  20.247  -2.320
  575   2HD1  ILE  68          2HD1      ILE  68   7.547  21.001  -1.964
  576   3HD1  ILE  68          3HD1      ILE  68   7.609  19.505  -2.891
  577    H    THR  69           H        THR  69   9.673  18.096   1.657
  578    HA   THR  69           HA       THR  69  10.610  19.823   3.531
  579    HB   THR  69           HB       THR  69  13.076  19.413   1.838
  580    HG1  THR  69           HG1      THR  69  11.920  17.373   2.674
  581   1HG2  THR  69          1HG2      THR  69  12.696  19.778   4.827
  582   2HG2  THR  69          2HG2      THR  69  13.104  21.063   3.690
  583   3HG2  THR  69          3HG2      THR  69  14.243  19.746   3.981
  584    H    LEU  70           H        LEU  70  10.829  21.069   0.405
  585    HA   LEU  70           HA       LEU  70  10.873  23.810   0.776
  586   1HB   LEU  70          2HB       LEU  70   9.070  21.962  -0.596
  587   2HB   LEU  70          1HB       LEU  70   8.756  23.677  -0.490
  588    HG   LEU  70           HG       LEU  70  10.978  24.088  -1.562
  589   1HD1  LEU  70          1HD1      LEU  70  12.119  22.035  -1.012
  590   2HD1  LEU  70          2HD1      LEU  70  12.097  22.301  -2.754
  591   3HD1  LEU  70          3HD1      LEU  70  11.007  21.120  -2.028
  592   1HD2  LEU  70          1HD2      LEU  70  10.261  23.451  -3.812
  593   2HD2  LEU  70          2HD2      LEU  70   8.964  24.174  -2.858
  594   3HD2  LEU  70          3HD2      LEU  70   9.008  22.430  -3.109
  595    H    GLN  71           H        GLN  71   7.751  22.536   0.788
  596    HA   GLN  71           HA       GLN  71   6.829  23.962   3.304
  597   1HB   GLN  71          2HB       GLN  71   7.184  25.517   1.415
  598   2HB   GLN  71          1HB       GLN  71   6.035  24.599   0.487
  599   1HG   GLN  71          2HG       GLN  71   4.312  25.071   2.151
  600   2HG   GLN  71          1HG       GLN  71   5.491  25.918   3.148
  601   1HE2  GLN  71          1HE2      GLN  71   3.046  26.892   2.003
  602   2HE2  GLN  71          2HE2      GLN  71   3.472  28.236   1.005
  603    H    GLU  72           H        GLU  72   5.094  23.658   3.969
  604    HA   GLU  72           HA       GLU  72   3.683  21.175   4.008
  605   1HB   GLU  72          2HB       GLU  72   4.129  22.655   5.886
  606   2HB   GLU  72          1HB       GLU  72   3.279  23.961   5.101
  607   1HG   GLU  72          2HG       GLU  72   1.967  23.055   6.898
  608   2HG   GLU  72          1HG       GLU  72   1.184  22.707   5.362
  609    H    LEU  73           H        LEU  73   3.265  22.174   0.921
  610    HA   LEU  73           HA       LEU  73   0.732  23.178   1.347
  611   1HB   LEU  73          2HB       LEU  73   1.047  24.861  -0.255
  612   2HB   LEU  73          1HB       LEU  73   2.373  25.040   0.850
  613    HG   LEU  73           HG       LEU  73   3.378  25.484  -1.152
  614   1HD1  LEU  73          1HD1      LEU  73   4.886  23.805  -1.819
  615   2HD1  LEU  73          2HD1      LEU  73   3.800  22.551  -1.255
  616   3HD1  LEU  73          3HD1      LEU  73   4.581  23.592  -0.078
  617   1HD2  LEU  73          1HD2      LEU  73   1.514  25.130  -2.603
  618   2HD2  LEU  73          2HD2      LEU  73   1.700  23.378  -2.485
  619   3HD2  LEU  73          3HD2      LEU  73   2.938  24.344  -3.288
  620    H    ILE  74           H        ILE  74  -0.619  22.570  -0.391
  621    HA   ILE  74           HA       ILE  74   0.352  21.301  -2.615
  622    HB   ILE  74           HB       ILE  74   0.566  19.337  -1.070
  623   1HG1  ILE  74          2HG1      ILE  74  -0.808  17.677  -2.367
  624   2HG1  ILE  74          1HG1      ILE  74  -1.622  19.033  -3.133
  625   1HG2  ILE  74          1HG2      ILE  74  -1.418  18.266  -0.101
  626   2HG2  ILE  74          2HG2      ILE  74  -2.405  19.615  -0.664
  627   3HG2  ILE  74          3HG2      ILE  74  -1.146  19.888   0.537
  628   1HD1  ILE  74          1HD1      ILE  74   1.314  18.410  -3.328
  629   2HD1  ILE  74          2HD1      ILE  74   0.491  19.760  -4.110
  630   3HD1  ILE  74          3HD1      ILE  74   0.100  18.105  -4.569
  Start of MODEL    9
    1    H    SER   1           H        SER   1   7.156  22.053  13.351
    2    HA   SER   1           HA       SER   1   5.774  20.263  13.464
    3   1HB   SER   1          2HB       SER   1   3.677  21.428  13.911
    4   2HB   SER   1          1HB       SER   1   3.709  22.193  12.331
    5    HG   SER   1           HG       SER   1   2.623  20.556  11.646
    6    H    LYS   2           H        LYS   2   5.085  19.346  10.482
    7    HA   LYS   2           HA       LYS   2   5.919  21.166   8.710
    8   1HB   LYS   2          2HB       LYS   2   7.837  18.906   9.328
    9   2HB   LYS   2          1HB       LYS   2   7.675  19.548   7.709
   10   1HG   LYS   2          2HG       LYS   2   8.376  21.766   8.599
   11   2HG   LYS   2          1HG       LYS   2   8.683  20.981  10.155
   12   1HD   LYS   2          2HD       LYS   2  10.308  19.510   9.151
   13   2HD   LYS   2          1HD       LYS   2   9.932  20.130   7.545
   14   1HE   LYS   2          2HE       LYS   2  11.982  21.111   8.306
   15   2HE   LYS   2          1HE       LYS   2  10.736  22.353   8.256
   16   1HZ   LYS   2          1HZ       LYS   2  12.015  22.568  10.212
   17   2HZ   LYS   2          2HZ       LYS   2  11.841  21.005  10.655
   18   3HZ   LYS   2          3HZ       LYS   2  10.509  22.049  10.733
   19    H    TRP   3           H        TRP   3   5.871  20.039   6.560
   20    HA   TRP   3           HA       TRP   3   4.782  17.302   6.175
   21   1HB   TRP   3          2HB       TRP   3   2.813  19.122   6.136
   22   2HB   TRP   3          1HB       TRP   3   3.763  19.788   4.809
   23    HD1  TRP   3           HD1      TRP   3   1.945  16.522   5.772
   24    HE1  TRP   3           HE1      TRP   3   1.222  15.328   3.602
   25    HE3  TRP   3           HE3      TRP   3   4.093  19.658   2.359
   26    HZ2  TRP   3           HZ2      TRP   3   1.511  15.677   0.835
   27    HZ3  TRP   3           HZ3      TRP   3   3.814  19.160  -0.034
   28    HH2  TRP   3           HH2      TRP   3   2.551  17.206  -0.774
   29    H    ILE   4           H        ILE   4   6.467  16.311   5.747
   30    HA   ILE   4           HA       ILE   4   7.815  17.382   3.501
   31    HB   ILE   4           HB       ILE   4   9.784  16.208   4.570
   32   1HG1  ILE   4          2HG1      ILE   4   7.859  16.047   6.900
   33   2HG1  ILE   4          1HG1      ILE   4   8.686  14.721   6.090
   34   1HG2  ILE   4          1HG2      ILE   4   8.600  18.517   6.115
   35   2HG2  ILE   4          2HG2      ILE   4   9.610  18.627   4.676
   36   3HG2  ILE   4          3HG2      ILE   4  10.288  18.011   6.180
   37   1HD1  ILE   4          1HD1      ILE   4  10.819  15.592   6.957
   38   2HD1  ILE   4          2HD1      ILE   4   9.681  15.124   8.218
   39   3HD1  ILE   4          3HD1      ILE   4   9.918  16.828   7.830
   40    H    LYS   5           H        LYS   5   9.305  14.625   3.110
   41    HA   LYS   5           HA       LYS   5   6.922  13.548   1.974
   42   1HB   LYS   5          2HB       LYS   5   8.009  15.021   0.293
   43   2HB   LYS   5          1HB       LYS   5   9.497  14.115   0.476
   44   1HG   LYS   5          2HG       LYS   5   8.410  12.167  -0.503
   45   2HG   LYS   5          1HG       LYS   5   6.887  13.049  -0.601
   46   1HD   LYS   5          2HD       LYS   5   7.974  14.711  -2.075
   47   2HD   LYS   5          1HD       LYS   5   9.458  13.755  -2.018
   48   1HE   LYS   5          2HE       LYS   5   8.377  11.914  -3.119
   49   2HE   LYS   5          1HE       LYS   5   6.806  12.702  -3.004
   50   1HZ   LYS   5          1HZ       LYS   5   7.531  14.379  -4.533
   51   2HZ   LYS   5          2HZ       LYS   5   7.840  12.870  -5.227
   52   3HZ   LYS   5          3HZ       LYS   5   9.097  13.769  -4.589
   53    H    PHE   6           H        PHE   6   7.374  11.684   1.221
   54    HA   PHE   6           HA       PHE   6   9.212   9.973   2.771
   55   1HB   PHE   6          2HB       PHE   6   6.666  10.206   3.550
   56   2HB   PHE   6          1HB       PHE   6   6.593   8.652   2.730
   57    HD1  PHE   6           HD1      PHE   6   6.955   6.791   4.073
   58    HD2  PHE   6           HD2      PHE   6   8.897  10.446   5.066
   59    HE1  PHE   6           HE1      PHE   6   7.962   5.725   6.056
   60    HE2  PHE   6           HE2      PHE   6   9.899   9.391   7.043
   61    HZ   PHE   6           HZ       PHE   6   9.435   7.025   7.542
   62    H    THR   7           H        THR   7   9.324   7.406   2.000
   63    HA   THR   7           HA       THR   7   8.281   6.765  -0.654
   64    HB   THR   7           HB       THR   7  10.292   5.435   1.147
   65    HG1  THR   7           HG1      THR   7  11.258   6.402  -1.227
   66   1HG2  THR   7          1HG2      THR   7   9.470   5.048  -1.744
   67   2HG2  THR   7          2HG2      THR   7   8.993   4.050  -0.377
   68   3HG2  THR   7          3HG2      THR   7  10.679   4.096  -0.882
   69    H    THR   8           H        THR   8   6.317   5.447  -0.200
   70    HA   THR   8           HA       THR   8   6.263   4.551   2.523
   71    HB   THR   8           HB       THR   8   3.954   5.565   0.928
   72    HG1  THR   8           HG1      THR   8   4.408   7.208   2.788
   73   1HG2  THR   8          1HG2      THR   8   3.567   3.902   2.708
   74   2HG2  THR   8          2HG2      THR   8   2.966   5.522   3.105
   75   3HG2  THR   8          3HG2      THR   8   4.493   4.940   3.803
   76    H    ASN   9           H        ASN   9   5.814   2.146   2.622
   77    HA   ASN   9           HA       ASN   9   4.770   0.862   0.203
   78   1HB   ASN   9          2HB       ASN   9   7.184   1.065   0.125
   79   2HB   ASN   9          1HB       ASN   9   7.267   0.222   1.675
   80   1HD2  ASN   9          1HD2      ASN   9   6.643  -0.106  -1.727
   81   2HD2  ASN   9          2HD2      ASN   9   6.582  -1.825  -1.737
   82    H    LEU  10           H        LEU  10   6.102   0.782   3.386
   83    HA   LEU  10           HA       LEU  10   4.979  -1.869   4.085
   84   1HB   LEU  10          2HB       LEU  10   7.405  -1.403   4.154
   85   2HB   LEU  10          1HB       LEU  10   7.077  -0.240   5.422
   86    HG   LEU  10           HG       LEU  10   6.180  -2.056   6.835
   87   1HD1  LEU  10          1HD1      LEU  10   5.443  -3.602   5.048
   88   2HD1  LEU  10          2HD1      LEU  10   6.551  -4.381   6.172
   89   3HD1  LEU  10          3HD1      LEU  10   7.127  -3.861   4.596
   90   1HD2  LEU  10          1HD2      LEU  10   8.380  -3.202   7.094
   91   2HD2  LEU  10          2HD2      LEU  10   8.400  -1.444   7.138
   92   3HD2  LEU  10          3HD2      LEU  10   8.907  -2.308   5.673
   93    H    THR  11           H        THR  11   3.930  -2.095   5.351
   94    HA   THR  11           HA       THR  11   2.842  -0.237   7.389
   95    HB   THR  11           HB       THR  11   0.910  -2.190   6.087
   96    HG1  THR  11           HG1      THR  11   1.087   0.543   5.367
   97   1HG2  THR  11          1HG2      THR  11   0.574   0.456   7.507
   98   2HG2  THR  11          2HG2      THR  11   0.325  -1.126   8.238
   99   3HG2  THR  11          3HG2      THR  11  -0.725  -0.581   6.924
  100    HA   PRO  12           HA       PRO  12   2.816  -3.969   9.370
  101   1HB   PRO  12          2HB       PRO  12   2.789  -6.567   8.259
  102   2HB   PRO  12          1HB       PRO  12   1.397  -5.623   8.796
  103   1HG   PRO  12          2HG       PRO  12   2.095  -6.225   6.102
  104   2HG   PRO  12          1HG       PRO  12   0.829  -5.123   6.662
  105   1HD   PRO  12          2HD       PRO  12   3.620  -4.523   5.804
  106   2HD   PRO  12          1HD       PRO  12   2.159  -3.541   5.590
  107    H    GLU  13           H        GLU  13   4.909  -3.618  10.203
  108    HA   GLU  13           HA       GLU  13   6.904  -5.366  10.872
  109   1HB   GLU  13          2HB       GLU  13   7.357  -4.968   8.093
  110   2HB   GLU  13          1HB       GLU  13   7.957  -3.504   8.875
  111   1HG   GLU  13          2HG       GLU  13   9.384  -5.178  10.338
  112   2HG   GLU  13          1HG       GLU  13   8.981  -6.288   9.054
  113    H    GLU  14           H        GLU  14   8.932  -3.787  10.943
  114    HA   GLU  14           HA       GLU  14   8.130  -1.553  12.592
  115   1HB   GLU  14          2HB       GLU  14   9.236  -4.051  13.928
  116   2HB   GLU  14          1HB       GLU  14   9.098  -2.480  14.693
  117   1HG   GLU  14          2HG       GLU  14   6.671  -2.634  14.569
  118   2HG   GLU  14          1HG       GLU  14   6.806  -4.183  13.735
  119    H    ALA  15           H        ALA  15  10.169  -2.296  10.276
  120    HA   ALA  15           HA       ALA  15  12.378  -1.443  11.867
  121   1HB   ALA  15          1HB       ALA  15  12.519  -3.426   9.594
  122   2HB   ALA  15          2HB       ALA  15  12.751  -3.767  11.307
  123   3HB   ALA  15          3HB       ALA  15  13.911  -2.758  10.444
  124    H    LYS  16           H        LYS  16  11.236  -1.894   8.519
  125    HA   LYS  16           HA       LYS  16  12.760   0.155   7.373
  126   1HB   LYS  16          2HB       LYS  16  11.806  -1.586   5.973
  127   2HB   LYS  16          1HB       LYS  16  10.189  -1.004   6.345
  128   1HG   LYS  16          2HG       LYS  16  10.740   1.153   5.275
  129   2HG   LYS  16          1HG       LYS  16  12.305   0.497   4.820
  130   1HD   LYS  16          2HD       LYS  16  11.233  -1.168   3.432
  131   2HD   LYS  16          1HD       LYS  16   9.636  -0.616   3.955
  132   1HE   LYS  16          2HE       LYS  16  10.113   1.604   3.007
  133   2HE   LYS  16          1HE       LYS  16  11.679   1.021   2.447
  134   1HZ   LYS  16          1HZ       LYS  16   9.045  -0.055   1.568
  135   2HZ   LYS  16          2HZ       LYS  16  10.518  -0.598   1.087
  136   3HZ   LYS  16          3HZ       LYS  16  10.036   0.961   0.654
  137    H    ILE  17           H        ILE  17   9.634   0.705   9.271
  138    HA   ILE  17           HA       ILE  17   9.551   3.187   7.903
  139    HB   ILE  17           HB       ILE  17   7.779   1.494   7.219
  140   1HG1  ILE  17          2HG1      ILE  17   7.298   3.958   7.130
  141   2HG1  ILE  17          1HG1      ILE  17   5.883   2.934   7.259
  142   1HG2  ILE  17          1HG2      ILE  17   7.518   0.215   9.178
  143   2HG2  ILE  17          2HG2      ILE  17   5.957   0.921   8.754
  144   3HG2  ILE  17          3HG2      ILE  17   6.904   1.605  10.073
  145   1HD1  ILE  17          1HD1      ILE  17   5.711   3.518   9.630
  146   2HD1  ILE  17          2HD1      ILE  17   5.671   4.942   8.591
  147   3HD1  ILE  17          3HD1      ILE  17   7.142   4.536   9.473
  148    H    VAL  18           H        VAL  18   9.012   4.897   9.372
  149    HA   VAL  18           HA       VAL  18   9.625   6.113  11.177
  150    HB   VAL  18           HB       VAL  18   9.094   3.691  12.990
  151   1HG1  VAL  18          1HG1      VAL  18  10.016   5.667  14.057
  152   2HG1  VAL  18          2HG1      VAL  18   8.372   5.366  14.621
  153   3HG1  VAL  18          3HG1      VAL  18   8.681   6.641  13.447
  154   1HG2  VAL  18          1HG2      VAL  18   6.953   5.549  11.943
  155   2HG2  VAL  18          2HG2      VAL  18   6.726   4.346  13.212
  156   3HG2  VAL  18          3HG2      VAL  18   7.116   3.830  11.570
  157    H    GLN  19           H        GLN  19  11.626   5.038  13.612
  158    HA   GLN  19           HA       GLN  19  13.138   3.818  14.016
  159   1HB   GLN  19          2HB       GLN  19  12.352   1.960  12.631
  160   2HB   GLN  19          1HB       GLN  19  13.036   2.708  11.204
  161   1HG   GLN  19          2HG       GLN  19  14.476   0.936  11.877
  162   2HG   GLN  19          1HG       GLN  19  15.298   2.450  12.230
  163   1HE2  GLN  19          1HE2      GLN  19  15.632  -0.230  13.350
  164   2HE2  GLN  19          2HE2      GLN  19  15.453  -0.053  15.051
  165    H    TYR  20           H        TYR  20  13.295   4.962  10.992
  166    HA   TYR  20           HA       TYR  20  15.832   5.719  10.774
  167   1HB   TYR  20          2HB       TYR  20  13.753   7.581   9.606
  168   2HB   TYR  20          1HB       TYR  20  15.459   7.733   9.219
  169    HD1  TYR  20           HD1      TYR  20  12.395   6.286   8.284
  170    HD2  TYR  20           HD2      TYR  20  16.583   5.560   8.270
  171    HE1  TYR  20           HE1      TYR  20  12.100   4.657   6.481
  172    HE2  TYR  20           HE2      TYR  20  16.297   3.920   6.457
  173    HH   TYR  20           HH       TYR  20  13.499   3.775   4.685
  174    H    GLU  21           H        GLU  21  13.379   7.836  12.052
  175    HA   GLU  21           HA       GLU  21  15.177   9.741  13.436
  176   1HB   GLU  21          2HB       GLU  21  12.198   9.308  13.866
  177   2HB   GLU  21          1HB       GLU  21  13.118  10.740  14.263
  178   1HG   GLU  21          2HG       GLU  21  11.753  11.277  12.410
  179   2HG   GLU  21          1HG       GLU  21  13.382  11.126  11.781
  180    H    LEU  22           H        LEU  22  12.971   7.375  14.107
  181    HA   LEU  22           HA       LEU  22  13.241   7.021  17.184
  182   1HB   LEU  22          2HB       LEU  22  10.987   6.792  15.701
  183   2HB   LEU  22          1HB       LEU  22  11.768   5.270  15.317
  184    HG   LEU  22           HG       LEU  22  11.879   4.782  17.773
  185   1HD1  LEU  22          1HD1      LEU  22  11.732   7.052  18.617
  186   2HD1  LEU  22          2HD1      LEU  22  10.447   6.043  19.275
  187   3HD1  LEU  22          3HD1      LEU  22  10.092   7.189  17.987
  188   1HD2  LEU  22          1HD2      LEU  22  10.116   3.839  16.345
  189   2HD2  LEU  22          2HD2      LEU  22   9.116   5.257  16.664
  190   3HD2  LEU  22          3HD2      LEU  22   9.542   4.163  17.978
  191    H    SER  23           H        SER  23  15.378   5.448  14.904
  192    HA   SER  23           HA       SER  23  15.585   3.660  16.973
  193   1HB   SER  23          2HB       SER  23  16.223   3.289  14.562
  194   2HB   SER  23          1HB       SER  23  17.517   4.465  14.784
  195    HG   SER  23           HG       SER  23  17.179   2.116  16.328
  196    H    THR  24           H        THR  24  16.864   6.862  16.096
  197    HA   THR  24           HA       THR  24  19.044   6.665  17.919
  198    HB   THR  24           HB       THR  24  18.012   9.079  16.398
  199    HG1  THR  24           HG1      THR  24  19.445   8.359  14.758
  200   1HG2  THR  24          1HG2      THR  24  20.348   9.798  16.555
  201   2HG2  THR  24          2HG2      THR  24  20.747   8.326  17.438
  202   3HG2  THR  24          3HG2      THR  24  19.679   9.529  18.167
  203    H    ARG  25           H        ARG  25  16.738   9.360  17.690
  204    HA   ARG  25           HA       ARG  25  14.907   9.855  18.972
  205   1HB   ARG  25          2HB       ARG  25  16.075   8.094  21.130
  206   2HB   ARG  25          1HB       ARG  25  14.609   9.037  21.326
  207   1HG   ARG  25          2HG       ARG  25  13.545   7.713  19.550
  208   2HG   ARG  25          1HG       ARG  25  15.030   6.778  19.386
  209   1HD   ARG  25          2HD       ARG  25  13.474   5.557  20.742
  210   2HD   ARG  25          1HD       ARG  25  14.806   6.103  21.757
  211    HE   ARG  25           HE       ARG  25  12.109   7.278  21.681
  212   1HH1  ARG  25          1HH1      ARG  25  15.187   6.838  23.418
  213   2HH1  ARG  25          2HH1      ARG  25  14.566   7.339  24.905
  214   1HH2  ARG  25          1HH2      ARG  25  11.286   8.000  23.721
  215   2HH2  ARG  25          2HH2      ARG  25  12.294   8.027  25.090
  216    H    ASP  26           H        ASP  26  14.723  10.850  21.244
  217    HA   ASP  26           HA       ASP  26  14.942  12.820  22.350
  218   1HB   ASP  26          2HB       ASP  26  16.794  11.526  23.396
  219   2HB   ASP  26          1HB       ASP  26  17.909  12.246  22.251
  220    H    GLU  27           H        GLU  27  16.621  12.729  19.490
  221    HA   GLU  27           HA       GLU  27  16.919  15.665  19.351
  222   1HB   GLU  27          2HB       GLU  27  17.735  15.579  17.127
  223   2HB   GLU  27          1HB       GLU  27  18.473  14.230  17.958
  224   1HG   GLU  27          2HG       GLU  27  16.120  14.039  16.081
  225   2HG   GLU  27          1HG       GLU  27  17.795  13.746  15.625
  226    H    PHE  28           H        PHE  28  14.845  13.528  17.555
  227    HA   PHE  28           HA       PHE  28  13.078  15.407  16.575
  228   1HB   PHE  28          2HB       PHE  28  11.654  13.659  15.940
  229   2HB   PHE  28          1HB       PHE  28  13.260  12.952  15.944
  230    HD1  PHE  28           HD1      PHE  28   9.917  12.867  17.321
  231    HD2  PHE  28           HD2      PHE  28  13.864  11.356  17.802
  232    HE1  PHE  28           HE1      PHE  28   9.041  11.089  18.757
  233    HE2  PHE  28           HE2      PHE  28  12.972   9.559  19.261
  234    HZ   PHE  28           HZ       PHE  28  10.573   9.432  19.729
  235    H    TYR  29           H        TYR  29  11.056  16.148  17.244
  236    HA   TYR  29           HA       TYR  29  10.367  15.673  20.048
  237   1HB   TYR  29          2HB       TYR  29  10.614  18.037  19.509
  238   2HB   TYR  29          1HB       TYR  29   9.412  17.905  18.227
  239    HD1  TYR  29           HD1      TYR  29   9.958  17.761  21.875
  240    HD2  TYR  29           HD2      TYR  29   7.109  18.113  18.743
  241    HE1  TYR  29           HE1      TYR  29   8.233  18.361  23.518
  242    HE2  TYR  29           HE2      TYR  29   5.382  18.708  20.368
  243    HH   TYR  29           HH       TYR  29   6.129  19.517  23.575
  244    H    ARG  30           H        ARG  30   8.858  15.572  16.746
  245    HA   ARG  30           HA       ARG  30   6.857  13.838  17.815
  246   1HB   ARG  30          2HB       ARG  30   5.896  16.089  18.019
  247   2HB   ARG  30          1HB       ARG  30   6.237  16.399  16.330
  248   1HG   ARG  30          2HG       ARG  30   4.669  14.611  15.698
  249   2HG   ARG  30          1HG       ARG  30   4.288  14.363  17.402
  250   1HD   ARG  30          2HD       ARG  30   3.855  16.889  15.807
  251   2HD   ARG  30          1HD       ARG  30   2.605  15.768  16.348
  252    HE   ARG  30           HE       ARG  30   3.658  16.373  18.647
  253   1HH1  ARG  30          1HH1      ARG  30   2.702  18.532  15.981
  254   2HH1  ARG  30          2HH1      ARG  30   2.614  19.918  16.954
  255   1HH2  ARG  30          1HH2      ARG  30   3.441  18.307  19.999
  256   2HH2  ARG  30          2HH2      ARG  30   3.002  19.792  19.284
  257    H    VAL  31           H        VAL  31   6.646  12.198  16.196
  258    HA   VAL  31           HA       VAL  31   6.913  12.827  13.283
  259    HB   VAL  31           HB       VAL  31   7.934  10.296  14.571
  260   1HG1  VAL  31          1HG1      VAL  31   8.357  11.452  11.835
  261   2HG1  VAL  31          2HG1      VAL  31   7.315  10.101  12.275
  262   3HG1  VAL  31          3HG1      VAL  31   9.067   9.952  12.433
  263   1HG2  VAL  31          1HG2      VAL  31  10.263  11.035  14.210
  264   2HG2  VAL  31          2HG2      VAL  31   9.422  11.982  15.430
  265   3HG2  VAL  31          3HG2      VAL  31   9.677  12.655  13.825
  266    H    PHE  32           H        PHE  32   4.852  12.096  12.236
  267    HA   PHE  32           HA       PHE  32   3.839   9.664  13.067
  268   1HB   PHE  32          2HB       PHE  32   2.237  12.230  13.434
  269   2HB   PHE  32          1HB       PHE  32   1.511  10.643  13.268
  270    HD1  PHE  32           HD1      PHE  32   3.074  12.997  15.524
  271    HD2  PHE  32           HD2      PHE  32   1.876   8.940  15.048
  272    HE1  PHE  32           HE1      PHE  32   3.200  12.665  17.964
  273    HE2  PHE  32           HE2      PHE  32   2.003   8.613  17.479
  274    HZ   PHE  32           HZ       PHE  32   2.666  10.481  18.937
  275    H    ILE  33           H        ILE  33   3.189   8.691  11.315
  276    HA   ILE  33           HA       ILE  33   2.414  10.208   8.935
  277    HB   ILE  33           HB       ILE  33   3.748   8.800   7.454
  278   1HG1  ILE  33          2HG1      ILE  33   3.867   6.744   8.900
  279   2HG1  ILE  33          1HG1      ILE  33   5.391   7.169   8.147
  280   1HG2  ILE  33          1HG2      ILE  33   6.014   9.575   7.940
  281   2HG2  ILE  33          2HG2      ILE  33   5.473  10.076   9.544
  282   3HG2  ILE  33          3HG2      ILE  33   4.782  10.826   8.101
  283   1HD1  ILE  33          1HD1      ILE  33   6.173   8.094  10.286
  284   2HD1  ILE  33          2HD1      ILE  33   5.707   6.399  10.426
  285   3HD1  ILE  33          3HD1      ILE  33   4.633   7.658  11.031
  286    H    ASN  34           H        ASN  34   1.023   8.611   7.274
  287    HA   ASN  34           HA       ASN  34   0.245   6.168   8.632
  288   1HB   ASN  34          2HB       ASN  34  -1.121   7.875   6.509
  289   2HB   ASN  34          1HB       ASN  34  -1.635   6.285   7.030
  290   1HD2  ASN  34          1HD2      ASN  34  -0.660   9.161   8.867
  291   2HD2  ASN  34          2HD2      ASN  34  -2.120   9.275   9.769
  292    HA   PRO  35           HA       PRO  35   2.939   4.793   5.511
  293   1HB   PRO  35          2HB       PRO  35   3.427   2.368   6.551
  294   2HB   PRO  35          1HB       PRO  35   4.126   3.859   7.201
  295   1HG   PRO  35          2HG       PRO  35   1.863   2.227   8.248
  296   2HG   PRO  35          1HG       PRO  35   3.128   3.095   9.130
  297   1HD   PRO  35          2HD       PRO  35   0.540   4.014   8.689
  298   2HD   PRO  35          1HD       PRO  35   1.932   5.020   9.152
  299    H    TYR  36           H        TYR  36   1.564   4.594   3.571
  300    HA   TYR  36           HA       TYR  36   1.194   2.115   2.590
  301   1HB   TYR  36          2HB       TYR  36  -0.784   1.966   4.073
  302   2HB   TYR  36          1HB       TYR  36  -1.337   3.525   3.461
  303    HD1  TYR  36           HD1      TYR  36  -0.848  -0.014   2.627
  304    HD2  TYR  36           HD2      TYR  36  -2.466   3.701   1.390
  305    HE1  TYR  36           HE1      TYR  36  -2.117  -1.158   0.857
  306    HE2  TYR  36           HE2      TYR  36  -3.733   2.587  -0.370
  307    HH   TYR  36           HH       TYR  36  -4.084  -0.781  -0.455
  308    H    ALA  37           H        ALA  37   0.439   5.528   2.719
  309    HA   ALA  37           HA       ALA  37  -0.770   5.784   0.260
  310   1HB   ALA  37          1HB       ALA  37   0.590   7.928   1.826
  311   2HB   ALA  37          2HB       ALA  37  -1.031   7.319   2.161
  312   3HB   ALA  37          3HB       ALA  37  -0.692   8.147   0.640
  313    H    LYS  38           H        LYS  38   2.428   5.013   0.393
  314    HA   LYS  38           HA       LYS  38   4.414   5.495  -0.980
  315   1HB   LYS  38          2HB       LYS  38   2.381   6.442  -3.046
  316   2HB   LYS  38          1HB       LYS  38   3.920   5.659  -3.335
  317   1HG   LYS  38          2HG       LYS  38   1.442   4.327  -2.249
  318   2HG   LYS  38          1HG       LYS  38   2.007   4.249  -3.905
  319   1HD   LYS  38          2HD       LYS  38   4.011   3.102  -3.173
  320   2HD   LYS  38          1HD       LYS  38   3.465   3.208  -1.490
  321   1HE   LYS  38          2HE       LYS  38   1.441   1.965  -2.121
  322   2HE   LYS  38          1HE       LYS  38   2.076   1.773  -3.750
  323   1HZ   LYS  38          1HZ       LYS  38   3.965   0.546  -2.758
  324   2HZ   LYS  38          2HZ       LYS  38   2.472  -0.170  -2.492
  325   3HZ   LYS  38          3HZ       LYS  38   3.205   0.677  -1.240
  326    H    VAL  39           H        VAL  39   4.098   7.524   0.814
  327    HA   VAL  39           HA       VAL  39   4.631   9.777   0.845
  328    HB   VAL  39           HB       VAL  39   2.830  11.452   0.103
  329   1HG1  VAL  39          1HG1      VAL  39   3.275  11.717  -2.248
  330   2HG1  VAL  39          2HG1      VAL  39   4.096  10.164  -2.265
  331   3HG1  VAL  39          3HG1      VAL  39   4.728  11.486  -1.279
  332   1HG2  VAL  39          1HG2      VAL  39   1.159  10.917  -1.601
  333   2HG2  VAL  39          2HG2      VAL  39   0.917   9.942  -0.151
  334   3HG2  VAL  39          3HG2      VAL  39   1.662   9.229  -1.580
  335    H    ALA  40           H        ALA  40   1.944  10.985   1.403
  336    HA   ALA  40           HA       ALA  40   0.250  10.278   2.894
  337   1HB   ALA  40          1HB       ALA  40   1.436   8.502   4.138
  338   2HB   ALA  40          2HB       ALA  40   0.861   9.669   5.331
  339   3HB   ALA  40          3HB       ALA  40   2.554   9.686   4.824
  340    H    GLU  41           H        GLU  41   1.216  11.477   5.893
  341    HA   GLU  41           HA       GLU  41   1.942  13.955   4.826
  342   1HB   GLU  41          2HB       GLU  41   0.922  14.938   6.874
  343   2HB   GLU  41          1HB       GLU  41  -0.296  14.048   5.985
  344   1HG   GLU  41          2HG       GLU  41   1.178  12.829   8.296
  345   2HG   GLU  41          1HG       GLU  41  -0.251  13.819   8.538
  346    H    VAL  42           H        VAL  42   4.156  14.411   5.776
  347    HA   VAL  42           HA       VAL  42   4.882  12.818   8.182
  348    HB   VAL  42           HB       VAL  42   6.728  13.860   6.055
  349   1HG1  VAL  42          1HG1      VAL  42   8.348  12.306   7.053
  350   2HG1  VAL  42          2HG1      VAL  42   7.100  11.739   8.163
  351   3HG1  VAL  42          3HG1      VAL  42   7.655  13.410   8.243
  352   1HG2  VAL  42          1HG2      VAL  42   7.048  11.642   5.078
  353   2HG2  VAL  42          2HG2      VAL  42   5.404  12.233   4.830
  354   3HG2  VAL  42          3HG2      VAL  42   5.729  11.014   6.066
  355    H    VAL  43           H        VAL  43   4.073  14.002   9.514
  356    HA   VAL  43           HA       VAL  43   5.088  16.523   9.349
  357    HB   VAL  43           HB       VAL  43   3.375  15.188  11.443
  358   1HG1  VAL  43          1HG1      VAL  43   4.557  17.012  12.511
  359   2HG1  VAL  43          2HG1      VAL  43   2.846  17.392  12.332
  360   3HG1  VAL  43          3HG1      VAL  43   4.028  18.115  11.241
  361   1HG2  VAL  43          1HG2      VAL  43   2.675  17.155   9.270
  362   2HG2  VAL  43          2HG2      VAL  43   1.547  16.501  10.457
  363   3HG2  VAL  43          3HG2      VAL  43   2.306  15.432   9.277
  364    H    ILE  44           H        ILE  44   7.090  17.085  10.489
  365    HA   ILE  44           HA       ILE  44   7.834  15.669  12.917
  366    HB   ILE  44           HB       ILE  44   9.110  15.225  10.447
  367   1HG1  ILE  44          2HG1      ILE  44   9.625  13.972  12.445
  368   2HG1  ILE  44          1HG1      ILE  44  11.100  14.510  11.671
  369   1HG2  ILE  44          1HG2      ILE  44  10.522  17.574  11.674
  370   2HG2  ILE  44          2HG2      ILE  44   9.698  17.521  10.117
  371   3HG2  ILE  44          3HG2      ILE  44  11.158  16.563  10.374
  372   1HD1  ILE  44          1HD1      ILE  44  11.278  14.668  14.078
  373   2HD1  ILE  44          2HD1      ILE  44   9.847  15.694  14.142
  374   3HD1  ILE  44          3HD1      ILE  44  11.317  16.277  13.360
  375    H    ASP  45           H        ASP  45   8.288  16.892  14.421
  376    HA   ASP  45           HA       ASP  45   7.723  19.723  13.932
  377   1HB   ASP  45          2HB       ASP  45   6.678  18.443  15.850
  378   2HB   ASP  45          1HB       ASP  45   8.259  18.419  16.616
  379    H    ASP  46           H        ASP  46  10.158  17.857  13.992
  380    HA   ASP  46           HA       ASP  46  12.254  18.036  13.263
  381   1HB   ASP  46          2HB       ASP  46  13.434  20.040  12.668
  382   2HB   ASP  46          1HB       ASP  46  11.812  19.987  12.060
  383    H    SER  47           H        SER  47  11.694  20.388  15.934
  384    HA   SER  47           HA       SER  47  12.457  20.550  18.109
  385   1HB   SER  47          2HB       SER  47  11.860  18.078  17.996
  386   2HB   SER  47          1HB       SER  47  13.565  17.797  17.705
  387    HG   SER  47           HG       SER  47  13.447  17.665  19.842
  388    H    LYS  48           H        LYS  48  15.248  19.183  19.074
  389    HA   LYS  48           HA       LYS  48  16.939  20.781  19.136
  390   1HB   LYS  48          2HB       LYS  48  17.489  18.092  17.931
  391   2HB   LYS  48          1HB       LYS  48  18.673  19.127  18.691
  392   1HG   LYS  48          2HG       LYS  48  16.273  17.972  20.099
  393   2HG   LYS  48          1HG       LYS  48  17.892  17.274  20.107
  394   1HD   LYS  48          2HD       LYS  48  18.748  19.379  21.096
  395   2HD   LYS  48          1HD       LYS  48  17.082  19.961  21.200
  396   1HE   LYS  48          2HE       LYS  48  16.483  18.140  22.642
  397   2HE   LYS  48          1HE       LYS  48  18.077  17.415  22.454
  398   1HZ   LYS  48          1HZ       LYS  48  19.031  19.337  23.561
  399   2HZ   LYS  48          2HZ       LYS  48  17.893  18.565  24.537
  400   3HZ   LYS  48          3HZ       LYS  48  17.500  20.018  23.765
  401    H    VAL  49           H        VAL  49  16.842  19.067  16.011
  402    HA   VAL  49           HA       VAL  49  17.664  20.746  14.145
  403    HB   VAL  49           HB       VAL  49  20.142  19.325  15.342
  404   1HG1  VAL  49          1HG1      VAL  49  21.362  20.350  13.464
  405   2HG1  VAL  49          2HG1      VAL  49  19.843  21.027  12.872
  406   3HG1  VAL  49          3HG1      VAL  49  20.069  19.281  12.922
  407   1HG2  VAL  49          1HG2      VAL  49  21.263  21.493  15.559
  408   2HG2  VAL  49          2HG2      VAL  49  19.794  21.475  16.539
  409   3HG2  VAL  49          3HG2      VAL  49  19.810  22.313  14.990
  410    H    ASN  50           H        ASN  50  16.823  19.560  12.668
  411    HA   ASN  50           HA       ASN  50  16.618  16.745  13.261
  412   1HB   ASN  50          2HB       ASN  50  14.993  16.596  11.512
  413   2HB   ASN  50          1HB       ASN  50  14.649  18.006  12.495
  414   1HD2  ASN  50          1HD2      ASN  50  14.171  17.092   9.709
  415   2HD2  ASN  50          2HD2      ASN  50  14.546  18.443   8.679
  416    H    ILE  51           H        ILE  51  18.912  18.332  11.974
  417    HA   ILE  51           HA       ILE  51  19.585  17.946   9.599
  418    HB   ILE  51           HB       ILE  51  21.190  18.898  11.043
  419   1HG1  ILE  51          2HG1      ILE  51  23.344  18.062  10.096
  420   2HG1  ILE  51          1HG1      ILE  51  22.469  16.682   9.438
  421   1HG2  ILE  51          1HG2      ILE  51  21.955  16.145  11.988
  422   2HG2  ILE  51          2HG2      ILE  51  21.144  17.390  12.934
  423   3HG2  ILE  51          3HG2      ILE  51  22.805  17.632  12.386
  424   1HD1  ILE  51          1HD1      ILE  51  21.998  19.573   8.741
  425   2HD1  ILE  51          2HD1      ILE  51  21.144  18.187   8.054
  426   3HD1  ILE  51          3HD1      ILE  51  22.868  18.396   7.757
  427    H    GLU  52           H        GLU  52  20.493  15.036  11.811
  428    HA   GLU  52           HA       GLU  52  21.192  13.428   9.681
  429   1HB   GLU  52          2HB       GLU  52  22.125  13.294  11.913
  430   2HB   GLU  52          1HB       GLU  52  20.551  12.865  12.542
  431   1HG   GLU  52          2HG       GLU  52  20.622  10.751  11.400
  432   2HG   GLU  52          1HG       GLU  52  22.166  11.184  10.650
  433    H    GLU  53           H        GLU  53  18.255  13.727  11.535
  434    HA   GLU  53           HA       GLU  53  17.025  11.454  10.216
  435   1HB   GLU  53          2HB       GLU  53  14.966  11.941  11.313
  436   2HB   GLU  53          1HB       GLU  53  16.219  12.201  12.510
  437   1HG   GLU  53          2HG       GLU  53  14.749  13.976  12.891
  438   2HG   GLU  53          1HG       GLU  53  15.959  14.708  11.840
  439    H    LEU  54           H        LEU  54  17.141  14.772   9.577
  440    HA   LEU  54           HA       LEU  54  15.449  14.865   7.369
  441   1HB   LEU  54          2HB       LEU  54  16.386  16.803   8.601
  442   2HB   LEU  54          1HB       LEU  54  17.978  16.393   8.048
  443    HG   LEU  54           HG       LEU  54  16.726  18.406   7.028
  444   1HD1  LEU  54          1HD1      LEU  54  18.850  17.724   6.233
  445   2HD1  LEU  54          2HD1      LEU  54  17.805  18.069   4.851
  446   3HD1  LEU  54          3HD1      LEU  54  18.133  16.400   5.321
  447   1HD2  LEU  54          1HD2      LEU  54  14.639  17.279   6.493
  448   2HD2  LEU  54          2HD2      LEU  54  15.488  16.176   5.408
  449   3HD2  LEU  54          3HD2      LEU  54  15.401  17.897   5.028
  450    H    LYS  55           H        LYS  55  18.736  13.843   7.805
  451    HA   LYS  55           HA       LYS  55  19.323  13.156   4.919
  452   1HB   LYS  55          2HB       LYS  55  21.215  13.811   6.548
  453   2HB   LYS  55          1HB       LYS  55  20.735  12.454   7.542
  454   1HG   LYS  55          2HG       LYS  55  21.628  12.082   4.686
  455   2HG   LYS  55          1HG       LYS  55  22.790  12.215   6.000
  456   1HD   LYS  55          2HD       LYS  55  20.577  10.158   5.858
  457   2HD   LYS  55          1HD       LYS  55  22.227   9.857   5.336
  458   1HE   LYS  55          2HE       LYS  55  21.464  10.672   8.159
  459   2HE   LYS  55          1HE       LYS  55  21.669   9.009   7.636
  460   1HZ   LYS  55          1HZ       LYS  55  23.833  11.083   7.623
  461   2HZ   LYS  55          2HZ       LYS  55  23.955   9.478   7.110
  462   3HZ   LYS  55          3HZ       LYS  55  23.652   9.791   8.701
  463    H    GLU  56           H        GLU  56  18.307  11.181   7.626
  464    HA   GLU  56           HA       GLU  56  18.064   8.992   5.922
  465   1HB   GLU  56          2HB       GLU  56  16.343   9.741   8.312
  466   2HB   GLU  56          1HB       GLU  56  16.460   8.143   7.582
  467   1HG   GLU  56          2HG       GLU  56  18.778   9.574   8.875
  468   2HG   GLU  56          1HG       GLU  56  17.744   8.422   9.705
  469    H    LYS  57           H        LYS  57  15.742  11.518   6.451
  470    HA   LYS  57           HA       LYS  57  14.129  10.293   4.437
  471   1HB   LYS  57          2HB       LYS  57  12.551  12.240   4.614
  472   2HB   LYS  57          1HB       LYS  57  12.800  11.237   6.031
  473   1HG   LYS  57          2HG       LYS  57  14.362  12.941   6.897
  474   2HG   LYS  57          1HG       LYS  57  13.933  13.966   5.521
  475   1HD   LYS  57          2HD       LYS  57  12.640  14.553   7.505
  476   2HD   LYS  57          1HD       LYS  57  11.616  13.926   6.202
  477   1HE   LYS  57          2HE       LYS  57  10.957  13.050   8.404
  478   2HE   LYS  57          1HE       LYS  57  11.450  11.757   7.328
  479   1HZ   LYS  57          1HZ       LYS  57  13.709  11.959   8.526
  480   2HZ   LYS  57          2HZ       LYS  57  12.420  11.293   9.370
  481   3HZ   LYS  57          3HZ       LYS  57  12.860  12.878   9.675
  482    H    LEU  58           H        LEU  58  16.542  12.420   4.096
  483    HA   LEU  58           HA       LEU  58  16.051  12.822   1.098
  484   1HB   LEU  58          2HB       LEU  58  18.619  13.012   2.686
  485   2HB   LEU  58          1HB       LEU  58  18.570  12.923   0.947
  486    HG   LEU  58           HG       LEU  58  17.310  15.095   0.963
  487   1HD1  LEU  58          1HD1      LEU  58  16.479  15.079   3.186
  488   2HD1  LEU  58          2HD1      LEU  58  17.535  16.479   2.948
  489   3HD1  LEU  58          3HD1      LEU  58  18.117  15.058   3.823
  490   1HD2  LEU  58          1HD2      LEU  58  19.292  16.442   1.348
  491   2HD2  LEU  58          2HD2      LEU  58  19.665  14.978   0.438
  492   3HD2  LEU  58          3HD2      LEU  58  20.067  15.079   2.152
  493    H    LYS  59           H        LYS  59  17.403  10.039   2.835
  494    HA   LYS  59           HA       LYS  59  17.647   9.314   0.293
  495   1HB   LYS  59          2HB       LYS  59  18.354   7.060   1.170
  496   2HB   LYS  59          1HB       LYS  59  19.188   8.423   1.883
  497   1HG   LYS  59          2HG       LYS  59  17.649   8.234   3.835
  498   2HG   LYS  59          1HG       LYS  59  17.041   6.737   3.119
  499   1HD   LYS  59          2HD       LYS  59  19.396   5.893   3.131
  500   2HD   LYS  59          1HD       LYS  59  19.843   7.338   4.038
  501   1HE   LYS  59          2HE       LYS  59  18.003   6.631   5.675
  502   2HE   LYS  59          1HE       LYS  59  18.074   5.068   4.868
  503   1HZ   LYS  59          1HZ       LYS  59  19.552   4.926   6.682
  504   2HZ   LYS  59          2HZ       LYS  59  20.101   6.450   6.435
  505   3HZ   LYS  59          3HZ       LYS  59  20.599   5.224   5.369
  506    H    GLY  60           H        GLY  60  15.501   8.448   2.981
  507   1HA   GLY  60          2HA       GLY  60  13.152   8.018   2.831
  508   2HA   GLY  60          1HA       GLY  60  13.369   7.685   1.104
  509    H    GLU  61           H        GLU  61  13.749   5.441   0.404
  510    HA   GLU  61           HA       GLU  61  14.600   3.625   0.407
  511   1HB   GLU  61          2HB       GLU  61  14.944   3.646   3.432
  512   2HB   GLU  61          1HB       GLU  61  15.066   2.163   2.529
  513   1HG   GLU  61          2HG       GLU  61  16.877   4.547   2.224
  514   2HG   GLU  61          1HG       GLU  61  17.235   3.102   3.168
  515    H    VAL  62           H        VAL  62  14.257   1.364   1.031
  516    HA   VAL  62           HA       VAL  62  14.193   0.590  -1.292
  517    HB   VAL  62           HB       VAL  62  11.482   0.183  -0.042
  518   1HG1  VAL  62          1HG1      VAL  62  11.462  -0.368  -2.436
  519   2HG1  VAL  62          2HG1      VAL  62  11.331  -1.828  -1.452
  520   3HG1  VAL  62          3HG1      VAL  62  12.866  -1.405  -2.209
  521   1HG2  VAL  62          1HG2      VAL  62  12.453  -1.935   0.730
  522   2HG2  VAL  62          2HG2      VAL  62  13.311  -0.532   1.368
  523   3HG2  VAL  62          3HG2      VAL  62  14.003  -1.460   0.036
  524    H    ILE  63           H        ILE  63  13.986   1.698  -3.015
  525    HA   ILE  63           HA       ILE  63  13.401   3.932  -4.493
  526    HB   ILE  63           HB       ILE  63  10.562   3.168  -3.725
  527   1HG1  ILE  63          2HG1      ILE  63  11.251   1.048  -4.618
  528   2HG1  ILE  63          1HG1      ILE  63  10.231   1.844  -5.814
  529   1HG2  ILE  63          1HG2      ILE  63  11.653   4.437  -6.238
  530   2HG2  ILE  63          2HG2      ILE  63  10.934   5.283  -4.866
  531   3HG2  ILE  63          3HG2      ILE  63   9.949   4.205  -5.858
  532   1HD1  ILE  63          1HD1      ILE  63  13.233   1.676  -5.864
  533   2HD1  ILE  63          2HD1      ILE  63  12.235   2.525  -7.039
  534   3HD1  ILE  63          3HD1      ILE  63  12.113   0.771  -6.883
  535    H    GLU  64           H        GLU  64  14.258   3.821  -3.091
  536    HA   GLU  64           HA       GLU  64  14.002   6.114  -1.301
  537   1HB   GLU  64          2HB       GLU  64  15.899   5.131  -0.429
  538   2HB   GLU  64          1HB       GLU  64  16.326   4.440  -1.969
  539   1HG   GLU  64          2HG       GLU  64  16.946   7.284  -1.230
  540   2HG   GLU  64          1HG       GLU  64  18.003   5.941  -0.806
  541    H    GLU  65           H        GLU  65  14.475   8.324  -1.621
  542    HA   GLU  65           HA       GLU  65  14.713   9.201  -4.400
  543   1HB   GLU  65          2HB       GLU  65  12.207   9.111  -2.892
  544   2HB   GLU  65          1HB       GLU  65  12.537  10.669  -3.620
  545   1HG   GLU  65          2HG       GLU  65  12.554   8.072  -5.125
  546   2HG   GLU  65          1HG       GLU  65  11.149   9.139  -5.000
  547    H    LYS  66           H        LYS  66  13.345  10.788  -1.804
  548    HA   LYS  66           HA       LYS  66  15.299  12.413  -1.026
  549   1HB   LYS  66          2HB       LYS  66  14.850  14.670  -2.247
  550   2HB   LYS  66          1HB       LYS  66  15.688  13.396  -3.109
  551   1HG   LYS  66          2HG       LYS  66  13.578  12.789  -4.223
  552   2HG   LYS  66          1HG       LYS  66  12.769  14.113  -3.383
  553   1HD   LYS  66          2HD       LYS  66  14.210  15.724  -4.449
  554   2HD   LYS  66          1HD       LYS  66  15.155  14.438  -5.186
  555   1HE   LYS  66          2HE       LYS  66  12.225  14.847  -5.696
  556   2HE   LYS  66          1HE       LYS  66  13.489  15.561  -6.690
  557   1HZ   LYS  66          1HZ       LYS  66  14.306  13.248  -7.094
  558   2HZ   LYS  66          2HZ       LYS  66  12.824  13.571  -7.738
  559   3HZ   LYS  66          3HZ       LYS  66  12.925  12.628  -6.364
  560    H    GLU  67           H        GLU  67  13.794  15.209  -0.738
  561    HA   GLU  67           HA       GLU  67  11.463  14.221   0.391
  562   1HB   GLU  67          2HB       GLU  67  12.043  15.812   2.427
  563   2HB   GLU  67          1HB       GLU  67  12.497  14.120   2.355
  564   1HG   GLU  67          2HG       GLU  67  14.328  15.410   3.202
  565   2HG   GLU  67          1HG       GLU  67  14.748  14.802   1.607
  566    H    ILE  68           H        ILE  68   9.756  16.075   0.001
  567    HA   ILE  68           HA       ILE  68  10.506  18.880  -0.255
  568    HB   ILE  68           HB       ILE  68   8.250  17.541  -1.126
  569   1HG1  ILE  68          2HG1      ILE  68   8.208  20.175   0.360
  570   2HG1  ILE  68          1HG1      ILE  68   8.713  19.949  -1.309
  571   1HG2  ILE  68          1HG2      ILE  68   7.843  16.628   1.220
  572   2HG2  ILE  68          2HG2      ILE  68   6.507  17.510   0.488
  573   3HG2  ILE  68          3HG2      ILE  68   7.518  18.298   1.691
  574   1HD1  ILE  68          1HD1      ILE  68   6.458  20.842  -1.186
  575   2HD1  ILE  68          2HD1      ILE  68   5.959  19.461  -0.207
  576   3HD1  ILE  68          3HD1      ILE  68   6.446  19.219  -1.882
  577    H    THR  69           H        THR  69  10.819  20.266   1.020
  578    HA   THR  69           HA       THR  69  11.469  20.091   3.843
  579    HB   THR  69           HB       THR  69  12.301  21.807   1.751
  580    HG1  THR  69           HG1      THR  69  13.473  19.187   1.745
  581   1HG2  THR  69          1HG2      THR  69  13.843  20.307   3.887
  582   2HG2  THR  69          2HG2      THR  69  13.051  21.866   4.100
  583   3HG2  THR  69          3HG2      THR  69  14.428  21.719   3.005
  584    H    LEU  70           H        LEU  70   9.831  21.753   1.236
  585    HA   LEU  70           HA       LEU  70   9.452  24.056   2.309
  586   1HB   LEU  70          2HB       LEU  70   7.572  22.261   0.894
  587   2HB   LEU  70          1HB       LEU  70   7.143  23.881   1.391
  588    HG   LEU  70           HG       LEU  70   9.025  24.761   0.006
  589   1HD1  LEU  70          1HD1      LEU  70  10.479  22.829  -0.095
  590   2HD1  LEU  70          2HD1      LEU  70  10.026  23.350  -1.714
  591   3HD1  LEU  70          3HD1      LEU  70   9.255  21.935  -1.000
  592   1HD2  LEU  70          1HD2      LEU  70   6.946  23.121  -1.424
  593   2HD2  LEU  70          2HD2      LEU  70   7.926  24.395  -2.153
  594   3HD2  LEU  70          3HD2      LEU  70   6.786  24.785  -0.867
  595    H    GLN  71           H        GLN  71   6.404  22.526   2.688
  596    HA   GLN  71           HA       GLN  71   6.184  22.912   5.561
  597   1HB   GLN  71          2HB       GLN  71   6.551  25.174   4.473
  598   2HB   GLN  71          1HB       GLN  71   5.086  24.877   3.557
  599   1HG   GLN  71          2HG       GLN  71   3.760  24.942   5.573
  600   2HG   GLN  71          1HG       GLN  71   5.219  25.013   6.579
  601   1HE2  GLN  71          1HE2      GLN  71   2.944  26.823   6.397
  602   2HE2  GLN  71          2HE2      GLN  71   3.615  28.358   5.974
  603    H    GLU  72           H        GLU  72   3.645  23.341   5.550
  604    HA   GLU  72           HA       GLU  72   2.267  21.175   4.335
  605   1HB   GLU  72          2HB       GLU  72   2.076  21.632   6.637
  606   2HB   GLU  72          1HB       GLU  72   1.582  23.287   6.319
  607   1HG   GLU  72          2HG       GLU  72  -0.327  21.988   6.903
  608   2HG   GLU  72          1HG       GLU  72  -0.438  22.435   5.201
  609    H    LEU  73           H        LEU  73   1.450  22.982   1.664
  610    HA   LEU  73           HA       LEU  73   0.541  25.021   2.919
  611   1HB   LEU  73          2HB       LEU  73   1.759  26.417   1.040
  612   2HB   LEU  73          1HB       LEU  73   2.527  26.085   2.570
  613    HG   LEU  73           HG       LEU  73   3.753  24.177   1.370
  614   1HD1  LEU  73          1HD1      LEU  73   4.050  24.385  -1.032
  615   2HD1  LEU  73          2HD1      LEU  73   2.810  25.639  -1.087
  616   3HD1  LEU  73          3HD1      LEU  73   2.381  23.995  -0.622
  617   1HD2  LEU  73          1HD2      LEU  73   4.820  26.256   2.019
  618   2HD2  LEU  73          2HD2      LEU  73   4.275  27.015   0.526
  619   3HD2  LEU  73          3HD2      LEU  73   5.435  25.687   0.469
  620    H    ILE  74           H        ILE  74  -1.424  25.442   1.754
  621    HA   ILE  74           HA       ILE  74  -1.503  25.176  -0.951
  622    HB   ILE  74           HB       ILE  74  -1.755  22.723  -0.430
  623   1HG1  ILE  74          2HG1      ILE  74  -3.877  22.317  -1.717
  624   2HG1  ILE  74          1HG1      ILE  74  -4.203  24.044  -1.598
  625   1HG2  ILE  74          1HG2      ILE  74  -4.273  23.543   1.001
  626   2HG2  ILE  74          2HG2      ILE  74  -2.815  22.876   1.732
  627   3HG2  ILE  74          3HG2      ILE  74  -3.791  21.882   0.652
  628   1HD1  ILE  74          1HD1      ILE  74  -1.836  22.785  -2.957
  629   2HD1  ILE  74          2HD1      ILE  74  -2.167  24.516  -2.856
  630   3HD1  ILE  74          3HD1      ILE  74  -3.254  23.460  -3.756
  Start of MODEL   10
    1    H    SER   1           H        SER   1   8.861  23.564  12.839
    2    HA   SER   1           HA       SER   1   7.323  22.213  12.089
    3   1HB   SER   1          2HB       SER   1   5.814  23.643  10.859
    4   2HB   SER   1          1HB       SER   1   7.073  24.107   9.721
    5    HG   SER   1           HG       SER   1   5.999  22.683   8.566
    6    H    LYS   2           H        LYS   2   7.973  20.543   9.754
    7    HA   LYS   2           HA       LYS   2  10.431  21.148   8.761
    8   1HB   LYS   2          2HB       LYS   2  10.103  18.823  10.707
    9   2HB   LYS   2          1HB       LYS   2  11.424  18.909   9.551
   10   1HG   LYS   2          2HG       LYS   2  12.274  20.913  10.631
   11   2HG   LYS   2          1HG       LYS   2  10.897  20.930  11.728
   12   1HD   LYS   2          2HD       LYS   2  11.634  18.771  12.640
   13   2HD   LYS   2          1HD       LYS   2  13.037  18.812  11.568
   14   1HE   LYS   2          2HE       LYS   2  13.918  20.728  12.653
   15   2HE   LYS   2          1HE       LYS   2  12.413  21.003  13.526
   16   1HZ   LYS   2          1HZ       LYS   2  14.058  18.569  13.913
   17   2HZ   LYS   2          2HZ       LYS   2  12.840  19.188  14.934
   18   3HZ   LYS   2          3HZ       LYS   2  14.312  19.986  14.778
   19    H    TRP   3           H        TRP   3   9.874  20.090   6.543
   20    HA   TRP   3           HA       TRP   3   7.539  18.232   6.406
   21   1HB   TRP   3          2HB       TRP   3   7.267  20.847   5.880
   22   2HB   TRP   3          1HB       TRP   3   8.316  20.391   4.539
   23    HD1  TRP   3           HD1      TRP   3   4.791  20.013   5.852
   24    HE1  TRP   3           HE1      TRP   3   3.324  18.838   4.123
   25    HE3  TRP   3           HE3      TRP   3   8.431  18.635   2.532
   26    HZ2  TRP   3           HZ2      TRP   3   3.662  17.501   1.652
   27    HZ3  TRP   3           HZ3      TRP   3   7.771  17.405   0.515
   28    HH2  TRP   3           HH2      TRP   3   5.436  16.852   0.081
   29    H    ILE   4           H        ILE   4   8.208  16.374   6.093
   30    HA   ILE   4           HA       ILE   4   9.995  16.193   3.823
   31    HB   ILE   4           HB       ILE   4  10.789  14.118   4.799
   32   1HG1  ILE   4          2HG1      ILE   4   8.969  14.707   7.164
   33   2HG1  ILE   4          1HG1      ILE   4   8.616  13.539   5.908
   34   1HG2  ILE   4          1HG2      ILE   4  10.924  16.158   7.007
   35   2HG2  ILE   4          2HG2      ILE   4  11.782  16.317   5.490
   36   3HG2  ILE   4          3HG2      ILE   4  12.143  14.949   6.538
   37   1HD1  ILE   4          1HD1      ILE   4  10.711  12.324   6.654
   38   2HD1  ILE   4          2HD1      ILE   4   9.348  12.341   7.757
   39   3HD1  ILE   4          3HD1      ILE   4  10.699  13.421   8.053
   40    H    LYS   5           H        LYS   5   9.195  14.443   2.303
   41    HA   LYS   5           HA       LYS   5   6.611  13.645   3.033
   42   1HB   LYS   5          2HB       LYS   5   7.322  14.739   0.862
   43   2HB   LYS   5          1HB       LYS   5   8.210  13.275   0.497
   44   1HG   LYS   5          2HG       LYS   5   6.166  12.008   0.381
   45   2HG   LYS   5          1HG       LYS   5   5.231  13.407   0.931
   46   1HD   LYS   5          2HD       LYS   5   6.050  14.665  -1.029
   47   2HD   LYS   5          1HD       LYS   5   6.836  13.195  -1.601
   48   1HE   LYS   5          2HE       LYS   5   4.751  12.118  -1.930
   49   2HE   LYS   5          1HE       LYS   5   3.888  13.381  -1.050
   50   1HZ   LYS   5          1HZ       LYS   5   3.757  13.510  -3.529
   51   2HZ   LYS   5          2HZ       LYS   5   5.405  13.952  -3.519
   52   3HZ   LYS   5          3HZ       LYS   5   4.251  14.903  -2.711
   53    H    PHE   6           H        PHE   6   7.905  11.517   1.165
   54    HA   PHE   6           HA       PHE   6   8.627   9.663   3.283
   55   1HB   PHE   6          2HB       PHE   6   6.006  10.142   3.167
   56   2HB   PHE   6          1HB       PHE   6   6.089   8.575   2.376
   57    HD1  PHE   6           HD1      PHE   6   5.439   6.933   3.867
   58    HD2  PHE   6           HD2      PHE   6   7.943  10.071   5.263
   59    HE1  PHE   6           HE1      PHE   6   5.553   5.862   6.068
   60    HE2  PHE   6           HE2      PHE   6   8.070   8.996   7.466
   61    HZ   PHE   6           HZ       PHE   6   6.873   6.886   7.874
   62    H    THR   7           H        THR   7   8.509   7.007   2.644
   63    HA   THR   7           HA       THR   7   8.537   6.232  -0.135
   64    HB   THR   7           HB       THR   7   8.038   4.199   1.388
   65    HG1  THR   7           HG1      THR   7   7.506   5.248   3.206
   66   1HG2  THR   7          1HG2      THR   7  10.746   5.477   1.743
   67   2HG2  THR   7          2HG2      THR   7  10.270   4.413   0.417
   68   3HG2  THR   7          3HG2      THR   7  10.366   3.787   2.064
   69    H    THR   8           H        THR   8   6.409   6.220  -1.196
   70    HA   THR   8           HA       THR   8   4.344   6.315   0.732
   71    HB   THR   8           HB       THR   8   3.172   7.259  -1.465
   72    HG1  THR   8           HG1      THR   8   4.543   7.281  -3.065
   73   1HG2  THR   8          1HG2      THR   8   3.595   8.586   0.574
   74   2HG2  THR   8          2HG2      THR   8   3.911   9.526  -0.884
   75   3HG2  THR   8          3HG2      THR   8   5.255   8.858   0.041
   76    H    ASN   9           H        ASN   9   4.152   3.751   0.805
   77    HA   ASN   9           HA       ASN   9   3.819   2.498  -1.817
   78   1HB   ASN   9          2HB       ASN   9   6.224   2.658  -1.351
   79   2HB   ASN   9          1HB       ASN   9   5.970   1.799   0.159
   80   1HD2  ASN   9          1HD2      ASN   9   7.255   0.064  -0.490
   81   2HD2  ASN   9          2HD2      ASN   9   6.731  -1.062  -1.686
   82    H    LEU  10           H        LEU  10   4.640   1.404   1.341
   83    HA   LEU  10           HA       LEU  10   2.178  -0.232   1.455
   84   1HB   LEU  10          2HB       LEU  10   4.192  -1.387   0.263
   85   2HB   LEU  10          1HB       LEU  10   4.839  -1.571   1.880
   86    HG   LEU  10           HG       LEU  10   2.842  -2.915   2.513
   87   1HD1  LEU  10          1HD1      LEU  10   1.209  -1.928   1.029
   88   2HD1  LEU  10          2HD1      LEU  10   1.326  -3.663   0.736
   89   3HD1  LEU  10          3HD1      LEU  10   2.094  -2.529  -0.371
   90   1HD2  LEU  10          1HD2      LEU  10   3.373  -4.883   1.212
   91   2HD2  LEU  10          2HD2      LEU  10   4.867  -4.015   1.590
   92   3HD2  LEU  10          3HD2      LEU  10   4.152  -3.890  -0.014
   93    H    THR  11           H        THR  11   3.381  -1.871   3.800
   94    HA   THR  11           HA       THR  11   3.238   0.311   5.705
   95    HB   THR  11           HB       THR  11   1.849  -2.369   6.006
   96    HG1  THR  11           HG1      THR  11   0.848   0.177   5.195
   97   1HG2  THR  11          1HG2      THR  11   1.671   0.256   7.512
   98   2HG2  THR  11          2HG2      THR  11   2.473  -1.205   8.091
   99   3HG2  THR  11          3HG2      THR  11   0.723  -1.185   7.865
  100    HA   PRO  12           HA       PRO  12   5.715  -3.324   7.121
  101   1HB   PRO  12          2HB       PRO  12   6.715  -4.942   4.973
  102   2HB   PRO  12          1HB       PRO  12   5.686  -5.439   6.320
  103   1HG   PRO  12          2HG       PRO  12   4.934  -4.496   3.602
  104   2HG   PRO  12          1HG       PRO  12   4.169  -5.741   4.609
  105   1HD   PRO  12          2HD       PRO  12   3.030  -3.367   4.376
  106   2HD   PRO  12          1HD       PRO  12   3.104  -4.180   5.939
  107    H    GLU  13           H        GLU  13   6.167  -1.964   3.864
  108    HA   GLU  13           HA       GLU  13   8.881  -1.583   4.351
  109   1HB   GLU  13          2HB       GLU  13   7.234  -0.883   1.960
  110   2HB   GLU  13          1HB       GLU  13   8.865  -0.258   2.129
  111   1HG   GLU  13          2HG       GLU  13   9.062  -2.176   0.812
  112   2HG   GLU  13          1HG       GLU  13   9.616  -2.651   2.409
  113    H    GLU  14           H        GLU  14   6.579   0.598   6.089
  114    HA   GLU  14           HA       GLU  14   8.095   2.692   5.346
  115   1HB   GLU  14          2HB       GLU  14   5.115   2.435   6.043
  116   2HB   GLU  14          1HB       GLU  14   5.994   3.961   6.015
  117   1HG   GLU  14          2HG       GLU  14   6.445   3.654   3.609
  118   2HG   GLU  14          1HG       GLU  14   5.561   2.141   3.641
  119    H    ALA  15           H        ALA  15   8.399   0.552   6.712
  120    HA   ALA  15           HA       ALA  15   8.434   0.785   9.863
  121   1HB   ALA  15          1HB       ALA  15   8.526  -1.644   8.125
  122   2HB   ALA  15          2HB       ALA  15   7.020  -1.133   8.887
  123   3HB   ALA  15          3HB       ALA  15   8.423  -1.534   9.881
  124    H    LYS  16           H        LYS  16  10.246   0.950   7.121
  125    HA   LYS  16           HA       LYS  16  12.607   0.008   8.284
  126   1HB   LYS  16          2HB       LYS  16  12.599   0.397   5.921
  127   2HB   LYS  16          1HB       LYS  16  12.086   2.058   6.119
  128   1HG   LYS  16          2HG       LYS  16  14.773   1.187   7.149
  129   2HG   LYS  16          1HG       LYS  16  14.549   1.536   5.433
  130   1HD   LYS  16          2HD       LYS  16  13.838   3.792   5.925
  131   2HD   LYS  16          1HD       LYS  16  13.813   3.455   7.652
  132   1HE   LYS  16          2HE       LYS  16  16.220   3.221   7.662
  133   2HE   LYS  16          1HE       LYS  16  16.269   3.423   5.909
  134   1HZ   LYS  16          1HZ       LYS  16  15.213   5.550   7.730
  135   2HZ   LYS  16          2HZ       LYS  16  15.675   5.675   6.080
  136   3HZ   LYS  16          3HZ       LYS  16  16.817   5.381   7.277
  137    H    ILE  17           H        ILE  17  11.082   3.318   8.480
  138    HA   ILE  17           HA       ILE  17  12.831   4.652   9.225
  139    HB   ILE  17           HB       ILE  17  10.657   5.401   8.768
  140   1HG1  ILE  17          2HG1      ILE  17  11.225   6.419  11.563
  141   2HG1  ILE  17          1HG1      ILE  17  11.981   7.030  10.101
  142   1HG2  ILE  17          1HG2      ILE  17   9.371   3.669   9.812
  143   2HG2  ILE  17          2HG2      ILE  17   8.751   5.242  10.313
  144   3HG2  ILE  17          3HG2      ILE  17   9.753   4.298  11.415
  145   1HD1  ILE  17          1HD1      ILE  17   9.801   7.790   9.294
  146   2HD1  ILE  17          2HD1      ILE  17  10.210   8.500  10.856
  147   3HD1  ILE  17          3HD1      ILE  17   9.050   7.175  10.767
  148    H    VAL  18           H        VAL  18  11.600   2.197  11.317
  149    HA   VAL  18           HA       VAL  18  11.324   3.194  13.862
  150    HB   VAL  18           HB       VAL  18  12.228   0.420  13.077
  151   1HG1  VAL  18          1HG1      VAL  18  11.335  -0.332  15.209
  152   2HG1  VAL  18          2HG1      VAL  18  10.903   1.318  15.629
  153   3HG1  VAL  18          3HG1      VAL  18  12.607   0.866  15.483
  154   1HG2  VAL  18          1HG2      VAL  18   9.500   1.548  13.608
  155   2HG2  VAL  18          2HG2      VAL  18   9.875  -0.142  13.251
  156   3HG2  VAL  18          3HG2      VAL  18  10.150   1.102  12.030
  157    H    GLN  19           H        GLN  19  14.309   1.719  12.621
  158    HA   GLN  19           HA       GLN  19  15.686   2.163  15.176
  159   1HB   GLN  19          2HB       GLN  19  16.342   0.312  13.555
  160   2HB   GLN  19          1HB       GLN  19  17.019   1.576  12.541
  161   1HG   GLN  19          2HG       GLN  19  18.757   0.557  13.879
  162   2HG   GLN  19          1HG       GLN  19  18.527   2.239  14.348
  163   1HE2  GLN  19          1HE2      GLN  19  16.377  -0.356  15.315
  164   2HE2  GLN  19          2HE2      GLN  19  16.773  -0.320  16.980
  165    H    TYR  20           H        TYR  20  15.348   4.233  12.679
  166    HA   TYR  20           HA       TYR  20  17.745   5.772  13.328
  167   1HB   TYR  20          2HB       TYR  20  16.713   5.818  11.070
  168   2HB   TYR  20          1HB       TYR  20  15.392   6.754  11.746
  169    HD1  TYR  20           HD1      TYR  20  18.978   6.792  10.955
  170    HD2  TYR  20           HD2      TYR  20  15.611   9.092  12.132
  171    HE1  TYR  20           HE1      TYR  20  20.214   8.851  10.472
  172    HE2  TYR  20           HE2      TYR  20  16.839  11.153  11.658
  173    HH   TYR  20           HH       TYR  20  19.284  11.828  11.518
  174    H    GLU  21           H        GLU  21  14.341   7.243  13.505
  175    HA   GLU  21           HA       GLU  21  14.900   9.130  15.561
  176   1HB   GLU  21          2HB       GLU  21  12.387   7.800  14.512
  177   2HB   GLU  21          1HB       GLU  21  12.463   9.227  15.524
  178   1HG   GLU  21          2HG       GLU  21  11.944   9.982  13.339
  179   2HG   GLU  21          1HG       GLU  21  13.626  10.400  13.611
  180    H    LEU  22           H        LEU  22  14.252   6.074  15.677
  181    HA   LEU  22           HA       LEU  22  14.048   5.938  18.857
  182   1HB   LEU  22          2HB       LEU  22  13.672   3.716  16.883
  183   2HB   LEU  22          1HB       LEU  22  13.638   3.648  18.632
  184    HG   LEU  22           HG       LEU  22  11.486   4.938  18.560
  185   1HD1  LEU  22          1HD1      LEU  22  11.588   4.356  15.620
  186   2HD1  LEU  22          2HD1      LEU  22  11.602   5.945  16.385
  187   3HD1  LEU  22          3HD1      LEU  22  10.170   4.920  16.503
  188   1HD2  LEU  22          1HD2      LEU  22  10.134   2.975  17.883
  189   2HD2  LEU  22          2HD2      LEU  22  11.457   2.615  18.985
  190   3HD2  LEU  22          3HD2      LEU  22  11.617   2.231  17.273
  191    H    SER  23           H        SER  23  16.650   4.738  16.917
  192    HA   SER  23           HA       SER  23  17.654   4.619  19.034
  193   1HB   SER  23          2HB       SER  23  18.824   4.201  16.962
  194   2HB   SER  23          1HB       SER  23  19.019   5.924  16.661
  195    HG   SER  23           HG       SER  23  20.076   5.293  19.037
  196    H    THR  24           H        THR  24  16.953   7.781  17.585
  197    HA   THR  24           HA       THR  24  18.569   9.360  19.345
  198    HB   THR  24           HB       THR  24  17.474  11.322  18.243
  199    HG1  THR  24           HG1      THR  24  15.588   9.592  17.584
  200   1HG2  THR  24          1HG2      THR  24  18.494  10.917  16.037
  201   2HG2  THR  24          2HG2      THR  24  18.587   9.195  16.406
  202   3HG2  THR  24          3HG2      THR  24  19.534  10.349  17.344
  203    H    ARG  25           H        ARG  25  15.951   7.957  19.862
  204    HA   ARG  25           HA       ARG  25  13.564   8.513  20.544
  205   1HB   ARG  25          2HB       ARG  25  15.253   8.185  22.979
  206   2HB   ARG  25          1HB       ARG  25  13.502   8.234  23.035
  207   1HG   ARG  25          2HG       ARG  25  13.478   6.320  21.457
  208   2HG   ARG  25          1HG       ARG  25  15.231   6.229  21.635
  209   1HD   ARG  25          2HD       ARG  25  14.251   4.657  23.117
  210   2HD   ARG  25          1HD       ARG  25  14.890   5.980  24.090
  211    HE   ARG  25           HE       ARG  25  12.242   6.584  23.555
  212   1HH1  ARG  25          1HH1      ARG  25  14.015   4.079  25.325
  213   2HH1  ARG  25          2HH1      ARG  25  12.763   3.779  26.425
  214   1HH2  ARG  25          1HH2      ARG  25  10.505   6.120  25.042
  215   2HH2  ARG  25          2HH2      ARG  25  10.716   4.931  26.240
  216    H    ASP  26           H        ASP  26  15.686  10.894  21.913
  217    HA   ASP  26           HA       ASP  26  13.706  12.269  23.433
  218   1HB   ASP  26          2HB       ASP  26  16.412  13.261  22.491
  219   2HB   ASP  26          1HB       ASP  26  15.345  14.208  23.511
  220    H    GLU  27           H        GLU  27  15.443  13.664  20.547
  221    HA   GLU  27           HA       GLU  27  13.760  15.352  19.650
  222   1HB   GLU  27          2HB       GLU  27  15.432  13.393  18.160
  223   2HB   GLU  27          1HB       GLU  27  14.506  14.633  17.336
  224   1HG   GLU  27          2HG       GLU  27  16.767  15.317  17.618
  225   2HG   GLU  27          1HG       GLU  27  15.713  16.352  18.564
  226    H    PHE  28           H        PHE  28  12.412  15.590  18.045
  227    HA   PHE  28           HA       PHE  28  11.001  15.239  16.390
  228   1HB   PHE  28          2HB       PHE  28  10.132  13.174  15.457
  229   2HB   PHE  28          1HB       PHE  28  11.850  13.007  15.671
  230    HD1  PHE  28           HD1      PHE  28   8.529  11.896  16.786
  231    HD2  PHE  28           HD2      PHE  28  12.716  11.193  17.052
  232    HE1  PHE  28           HE1      PHE  28   8.095   9.683  17.754
  233    HE2  PHE  28           HE2      PHE  28  12.281   8.989  18.043
  234    HZ   PHE  28           HZ       PHE  28   9.978   8.231  18.391
  235    H    TYR  29           H        TYR  29   9.664  13.185  18.854
  236    HA   TYR  29           HA       TYR  29   7.598  13.147  19.707
  237   1HB   TYR  29          2HB       TYR  29   8.428  14.999  21.050
  238   2HB   TYR  29          1HB       TYR  29   7.995  16.149  19.791
  239    HD1  TYR  29           HD1      TYR  29   6.567  13.748  22.228
  240    HD2  TYR  29           HD2      TYR  29   5.831  17.084  19.704
  241    HE1  TYR  29           HE1      TYR  29   4.341  14.017  23.232
  242    HE2  TYR  29           HE2      TYR  29   3.616  17.365  20.698
  243    HH   TYR  29           HH       TYR  29   2.705  15.834  23.537
  244    H    ARG  30           H        ARG  30   6.935  16.109  18.115
  245    HA   ARG  30           HA       ARG  30   4.556  15.742  17.022
  246   1HB   ARG  30          2HB       ARG  30   5.819  17.802  16.741
  247   2HB   ARG  30          1HB       ARG  30   6.810  17.064  15.503
  248   1HG   ARG  30          2HG       ARG  30   5.288  18.463  14.370
  249   2HG   ARG  30          1HG       ARG  30   4.686  16.828  14.130
  250   1HD   ARG  30          2HD       ARG  30   3.664  18.717  16.252
  251   2HD   ARG  30          1HD       ARG  30   2.941  18.555  14.664
  252    HE   ARG  30           HE       ARG  30   2.449  16.234  15.251
  253   1HH1  ARG  30          1HH1      ARG  30   3.153  18.477  17.946
  254   2HH1  ARG  30          2HH1      ARG  30   2.106  17.685  19.022
  255   1HH2  ARG  30          1HH2      ARG  30   0.965  15.172  16.847
  256   2HH2  ARG  30          2HH2      ARG  30   0.880  15.831  18.400
  257    H    VAL  31           H        VAL  31   3.757  14.025  15.738
  258    HA   VAL  31           HA       VAL  31   5.302  12.855  13.512
  259    HB   VAL  31           HB       VAL  31   3.556  11.315  15.509
  260   1HG1  VAL  31          1HG1      VAL  31   5.264  10.300  13.236
  261   2HG1  VAL  31          2HG1      VAL  31   3.501  10.343  13.275
  262   3HG1  VAL  31          3HG1      VAL  31   4.383   9.294  14.386
  263   1HG2  VAL  31          1HG2      VAL  31   5.595  10.175  16.243
  264   2HG2  VAL  31          2HG2      VAL  31   5.658  11.905  16.577
  265   3HG2  VAL  31          3HG2      VAL  31   6.554  11.237  15.213
  266    H    PHE  32           H        PHE  32   3.831  11.751  11.942
  267    HA   PHE  32           HA       PHE  32   1.218  12.112  11.408
  268   1HB   PHE  32          2HB       PHE  32   3.083  14.019   9.896
  269   2HB   PHE  32          1HB       PHE  32   1.426  13.634   9.471
  270    HD1  PHE  32           HD1      PHE  32   3.607  15.779  11.394
  271    HD2  PHE  32           HD2      PHE  32  -0.431  14.619  10.775
  272    HE1  PHE  32           HE1      PHE  32   2.851  17.811  12.545
  273    HE2  PHE  32           HE2      PHE  32  -1.194  16.655  11.928
  274    HZ   PHE  32           HZ       PHE  32   0.447  18.251  12.815
  275    H    ILE  33           H        ILE  33   0.509  11.090   9.917
  276    HA   ILE  33           HA       ILE  33   2.502   9.281   8.850
  277    HB   ILE  33           HB       ILE  33   1.260   7.256   9.570
  278   1HG1  ILE  33          2HG1      ILE  33  -0.973   8.388   9.995
  279   2HG1  ILE  33          1HG1      ILE  33  -0.485   7.233  11.217
  280   1HG2  ILE  33          1HG2      ILE  33   1.979   7.157  11.883
  281   2HG2  ILE  33          2HG2      ILE  33   2.290   8.892  11.837
  282   3HG2  ILE  33          3HG2      ILE  33   3.196   7.808  10.786
  283   1HD1  ILE  33          1HD1      ILE  33   0.201   9.106  12.659
  284   2HD1  ILE  33          2HD1      ILE  33  -1.505   9.172  12.228
  285   3HD1  ILE  33          3HD1      ILE  33  -0.351  10.237  11.423
  286    H    ASN  34           H        ASN  34   0.943   7.444   7.973
  287    HA   ASN  34           HA       ASN  34  -1.252   7.692   6.925
  288   1HB   ASN  34          2HB       ASN  34   0.280   9.449   5.239
  289   2HB   ASN  34          1HB       ASN  34  -0.338   8.198   4.176
  290   1HD2  ASN  34          1HD2      ASN  34  -1.093  10.911   6.148
  291   2HD2  ASN  34          2HD2      ASN  34  -2.725  11.132   5.598
  292    HA   PRO  35           HA       PRO  35   1.872   4.168   6.088
  293   1HB   PRO  35          2HB       PRO  35  -0.095   2.393   7.365
  294   2HB   PRO  35          1HB       PRO  35   1.594   2.680   7.791
  295   1HG   PRO  35          2HG       PRO  35  -0.402   3.605   9.322
  296   2HG   PRO  35          1HG       PRO  35   1.091   4.531   9.089
  297   1HD   PRO  35          2HD       PRO  35  -1.580   4.888   7.767
  298   2HD   PRO  35          1HD       PRO  35  -0.486   6.118   8.435
  299    H    TYR  36           H        TYR  36   1.410   4.311   3.908
  300    HA   TYR  36           HA       TYR  36   1.662   2.934   2.161
  301   1HB   TYR  36          2HB       TYR  36   0.692   0.848   1.712
  302   2HB   TYR  36          1HB       TYR  36   0.639   0.813   3.468
  303    HD1  TYR  36           HD1      TYR  36  -1.221   0.843   0.327
  304    HD2  TYR  36           HD2      TYR  36  -1.659   0.923   4.547
  305    HE1  TYR  36           HE1      TYR  36  -3.583   0.220   0.094
  306    HE2  TYR  36           HE2      TYR  36  -4.027   0.311   4.309
  307    HH   TYR  36           HH       TYR  36  -5.301  -0.846   1.420
  308    H    ALA  37           H        ALA  37  -0.385   4.920   3.232
  309    HA   ALA  37           HA       ALA  37  -2.516   4.875   1.365
  310   1HB   ALA  37          1HB       ALA  37  -1.754   7.098   3.218
  311   2HB   ALA  37          2HB       ALA  37  -2.726   5.698   3.661
  312   3HB   ALA  37          3HB       ALA  37  -3.316   6.829   2.446
  313    H    LYS  38           H        LYS  38   0.720   5.651   0.525
  314    HA   LYS  38           HA       LYS  38   1.563   6.416  -1.073
  315   1HB   LYS  38          2HB       LYS  38  -1.193   6.923  -2.182
  316   2HB   LYS  38          1HB       LYS  38   0.294   6.890  -3.106
  317   1HG   LYS  38          2HG       LYS  38  -0.907   4.552  -1.625
  318   2HG   LYS  38          1HG       LYS  38  -1.030   4.835  -3.359
  319   1HD   LYS  38          2HD       LYS  38   1.454   4.699  -3.485
  320   2HD   LYS  38          1HD       LYS  38   1.478   4.278  -1.772
  321   1HE   LYS  38          2HE       LYS  38   0.033   2.717  -3.918
  322   2HE   LYS  38          1HE       LYS  38   1.609   2.297  -3.258
  323   1HZ   LYS  38          1HZ       LYS  38  -0.329   1.081  -2.303
  324   2HZ   LYS  38          2HZ       LYS  38  -0.819   2.513  -1.536
  325   3HZ   LYS  38          3HZ       LYS  38   0.665   1.818  -1.170
  326    H    VAL  39           H        VAL  39   0.808   8.424   1.092
  327    HA   VAL  39           HA       VAL  39   1.282  10.762  -0.533
  328    HB   VAL  39           HB       VAL  39  -0.654  12.162   0.396
  329   1HG1  VAL  39          1HG1      VAL  39  -1.398   9.878  -1.414
  330   2HG1  VAL  39          2HG1      VAL  39  -0.692  11.414  -1.906
  331   3HG1  VAL  39          3HG1      VAL  39  -2.312  11.373  -1.209
  332   1HG2  VAL  39          1HG2      VAL  39  -2.655  10.949   1.152
  333   2HG2  VAL  39          2HG2      VAL  39  -1.293  10.750   2.255
  334   3HG2  VAL  39          3HG2      VAL  39  -1.728   9.448   1.149
  335    H    ALA  40           H        ALA  40   2.491   9.470   2.306
  336    HA   ALA  40           HA       ALA  40   1.685  11.187   4.486
  337   1HB   ALA  40          1HB       ALA  40   2.147   8.703   4.466
  338   2HB   ALA  40          2HB       ALA  40   3.037   9.728   5.591
  339   3HB   ALA  40          3HB       ALA  40   3.815   9.157   4.116
  340    H    GLU  41           H        GLU  41   2.367  13.548   3.566
  341    HA   GLU  41           HA       GLU  41   4.855  13.851   3.931
  342   1HB   GLU  41          2HB       GLU  41   4.134  16.193   4.542
  343   2HB   GLU  41          1HB       GLU  41   3.369  15.538   3.103
  344   1HG   GLU  41          2HG       GLU  41   1.369  14.989   4.439
  345   2HG   GLU  41          1HG       GLU  41   2.141  15.698   5.850
  346    H    VAL  42           H        VAL  42   6.022  14.491   5.962
  347    HA   VAL  42           HA       VAL  42   4.731  14.209   8.700
  348    HB   VAL  42           HB       VAL  42   7.410  13.081   7.942
  349   1HG1  VAL  42          1HG1      VAL  42   5.659  12.729  10.375
  350   2HG1  VAL  42          2HG1      VAL  42   7.077  13.767  10.252
  351   3HG1  VAL  42          3HG1      VAL  42   7.256  12.015  10.153
  352   1HG2  VAL  42          1HG2      VAL  42   5.813  11.644   6.785
  353   2HG2  VAL  42          2HG2      VAL  42   4.893  11.445   8.278
  354   3HG2  VAL  42          3HG2      VAL  42   6.527  10.794   8.156
  355    H    VAL  43           H        VAL  43   4.441  16.083   8.823
  356    HA   VAL  43           HA       VAL  43   6.609  17.650   9.140
  357    HB   VAL  43           HB       VAL  43   3.901  18.037  10.448
  358   1HG1  VAL  43          1HG1      VAL  43   4.503  20.373  10.879
  359   2HG1  VAL  43          2HG1      VAL  43   6.149  20.045  10.340
  360   3HG1  VAL  43          3HG1      VAL  43   5.527  19.263  11.793
  361   1HG2  VAL  43          1HG2      VAL  43   3.930  18.130   8.020
  362   2HG2  VAL  43          2HG2      VAL  43   5.211  19.341   8.068
  363   3HG2  VAL  43          3HG2      VAL  43   3.609  19.730   8.693
  364    H    ILE  44           H        ILE  44   8.134  17.595  10.883
  365    HA   ILE  44           HA       ILE  44   7.527  16.604  13.580
  366    HB   ILE  44           HB       ILE  44   8.662  14.831  12.202
  367   1HG1  ILE  44          2HG1      ILE  44   9.500  15.346  14.590
  368   2HG1  ILE  44          1HG1      ILE  44  10.528  14.363  13.562
  369   1HG2  ILE  44          1HG2      ILE  44  10.601  16.949  11.415
  370   2HG2  ILE  44          2HG2      ILE  44   9.450  16.091  10.387
  371   3HG2  ILE  44          3HG2      ILE  44  10.801  15.224  11.123
  372   1HD1  ILE  44          1HD1      ILE  44  11.888  15.940  14.805
  373   2HD1  ILE  44          2HD1      ILE  44  10.898  17.280  14.241
  374   3HD1  ILE  44          3HD1      ILE  44  11.899  16.388  13.099
  375    H    ASP  45           H        ASP  45   8.606  17.571  15.135
  376    HA   ASP  45           HA       ASP  45   9.651  20.123  14.154
  377   1HB   ASP  45          2HB       ASP  45   7.255  20.455  14.494
  378   2HB   ASP  45          1HB       ASP  45   7.432  19.997  16.183
  379    H    ASP  46           H        ASP  46   8.933  18.510  17.130
  380    HA   ASP  46           HA       ASP  46   9.738  20.211  18.922
  381   1HB   ASP  46          2HB       ASP  46   8.681  18.154  19.589
  382   2HB   ASP  46          1HB       ASP  46  10.155  17.248  19.290
  383    H    SER  47           H        SER  47  12.284  17.886  19.672
  384    HA   SER  47           HA       SER  47  13.932  19.940  19.654
  385   1HB   SER  47          2HB       SER  47  13.928  18.239  21.317
  386   2HB   SER  47          1HB       SER  47  14.394  17.021  20.144
  387    HG   SER  47           HG       SER  47  16.359  17.509  20.601
  388    H    LYS  48           H        LYS  48  15.152  20.676  18.236
  389    HA   LYS  48           HA       LYS  48  17.310  20.670  17.930
  390   1HB   LYS  48          2HB       LYS  48  18.768  19.079  16.725
  391   2HB   LYS  48          1HB       LYS  48  17.841  18.260  17.969
  392   1HG   LYS  48          2HG       LYS  48  16.310  17.408  16.243
  393   2HG   LYS  48          1HG       LYS  48  17.241  18.242  15.011
  394   1HD   LYS  48          2HD       LYS  48  18.354  16.063  16.798
  395   2HD   LYS  48          1HD       LYS  48  17.694  15.772  15.191
  396   1HE   LYS  48          2HE       LYS  48  19.989  15.867  14.821
  397   2HE   LYS  48          1HE       LYS  48  19.475  17.500  14.440
  398   1HZ   LYS  48          1HZ       LYS  48  21.502  17.415  15.783
  399   2HZ   LYS  48          2HZ       LYS  48  20.653  16.679  17.050
  400   3HZ   LYS  48          3HZ       LYS  48  20.280  18.235  16.596
  401    H    VAL  49           H        VAL  49  18.638  21.634  15.653
  402    HA   VAL  49           HA       VAL  49  17.648  22.718  13.792
  403    HB   VAL  49           HB       VAL  49  19.926  20.807  13.656
  404   1HG1  VAL  49          1HG1      VAL  49  19.457  23.523  12.447
  405   2HG1  VAL  49          2HG1      VAL  49  19.304  21.999  11.597
  406   3HG1  VAL  49          3HG1      VAL  49  20.882  22.510  12.208
  407   1HG2  VAL  49          1HG2      VAL  49  21.251  22.747  14.552
  408   2HG2  VAL  49          2HG2      VAL  49  20.251  21.953  15.744
  409   3HG2  VAL  49          3HG2      VAL  49  19.731  23.493  15.040
  410    H    ASN  50           H        ASN  50  16.716  22.053  11.795
  411    HA   ASN  50           HA       ASN  50  15.725  19.535  11.183
  412   1HB   ASN  50          2HB       ASN  50  14.946  21.579  10.082
  413   2HB   ASN  50          1HB       ASN  50  16.494  21.752   9.273
  414   1HD2  ASN  50          1HD2      ASN  50  14.780  18.653   9.636
  415   2HD2  ASN  50          2HD2      ASN  50  14.509  18.485   7.914
  416    H    ILE  51           H        ILE  51  18.995  20.734  10.621
  417    HA   ILE  51           HA       ILE  51  19.336  18.380   9.085
  418    HB   ILE  51           HB       ILE  51  20.265  20.345   7.889
  419   1HG1  ILE  51          2HG1      ILE  51  22.632  18.722   8.866
  420   2HG1  ILE  51          1HG1      ILE  51  21.543  18.217   7.582
  421   1HG2  ILE  51          1HG2      ILE  51  20.667  21.767   9.778
  422   2HG2  ILE  51          2HG2      ILE  51  22.128  21.658   8.795
  423   3HG2  ILE  51          3HG2      ILE  51  22.008  20.748  10.302
  424   1HD1  ILE  51          1HD1      ILE  51  23.293  20.659   7.540
  425   2HD1  ILE  51          2HD1      ILE  51  22.219  20.130   6.244
  426   3HD1  ILE  51          3HD1      ILE  51  23.609  19.144   6.696
  427    H    GLU  52           H        GLU  52  20.871  16.842   9.283
  428    HA   GLU  52           HA       GLU  52  22.107  15.356  10.301
  429   1HB   GLU  52          2HB       GLU  52  21.038  16.379  12.978
  430   2HB   GLU  52          1HB       GLU  52  22.022  14.945  12.805
  431   1HG   GLU  52          2HG       GLU  52  23.902  16.400  12.088
  432   2HG   GLU  52          1HG       GLU  52  22.867  17.796  12.404
  433    H    GLU  53           H        GLU  53  19.168  16.072  11.767
  434    HA   GLU  53           HA       GLU  53  17.578  13.697  11.203
  435   1HB   GLU  53          2HB       GLU  53  16.770  16.458  10.405
  436   2HB   GLU  53          1HB       GLU  53  15.745  15.077  10.688
  437   1HG   GLU  53          2HG       GLU  53  16.227  15.223  13.061
  438   2HG   GLU  53          1HG       GLU  53  17.260  16.630  12.749
  439    H    LEU  54           H        LEU  54  18.722  16.160   9.094
  440    HA   LEU  54           HA       LEU  54  17.758  15.532   6.605
  441   1HB   LEU  54          2HB       LEU  54  19.997  16.946   7.678
  442   2HB   LEU  54          1HB       LEU  54  20.511  16.069   6.259
  443    HG   LEU  54           HG       LEU  54  19.928  18.375   5.727
  444   1HD1  LEU  54          1HD1      LEU  54  18.393  17.979   3.884
  445   2HD1  LEU  54          2HD1      LEU  54  17.995  16.400   4.566
  446   3HD1  LEU  54          3HD1      LEU  54  19.634  16.736   4.015
  447   1HD2  LEU  54          1HD2      LEU  54  18.257  18.822   7.433
  448   2HD2  LEU  54          2HD2      LEU  54  17.153  17.674   6.679
  449   3HD2  LEU  54          3HD2      LEU  54  17.603  19.152   5.832
  450    H    LYS  55           H        LYS  55  19.850  13.462   8.573
  451    HA   LYS  55           HA       LYS  55  20.728  11.890   6.309
  452   1HB   LYS  55          2HB       LYS  55  22.245  12.070   8.284
  453   2HB   LYS  55          1HB       LYS  55  20.919  11.602   9.331
  454   1HG   LYS  55          2HG       LYS  55  22.303   9.715   9.088
  455   2HG   LYS  55          1HG       LYS  55  20.862   9.417   8.137
  456   1HD   LYS  55          2HD       LYS  55  22.102  10.062   6.108
  457   2HD   LYS  55          1HD       LYS  55  23.554  10.284   7.092
  458   1HE   LYS  55          2HE       LYS  55  22.007   7.726   6.694
  459   2HE   LYS  55          1HE       LYS  55  23.611   8.095   6.067
  460   1HZ   LYS  55          1HZ       LYS  55  24.445   8.168   8.347
  461   2HZ   LYS  55          2HZ       LYS  55  23.684   6.686   8.053
  462   3HZ   LYS  55          3HZ       LYS  55  22.910   7.840   8.951
  463    H    GLU  56           H        GLU  56  18.313  10.976   8.889
  464    HA   GLU  56           HA       GLU  56  17.846  10.015   6.686
  465   1HB   GLU  56          2HB       GLU  56  17.551   8.041   8.803
  466   2HB   GLU  56          1HB       GLU  56  16.569   7.662   7.394
  467   1HG   GLU  56          2HG       GLU  56  18.562   7.860   5.968
  468   2HG   GLU  56          1HG       GLU  56  19.537   8.186   7.388
  469    H    LYS  57           H        LYS  57  15.687  11.817   8.313
  470    HA   LYS  57           HA       LYS  57  13.243  11.215   6.734
  471   1HB   LYS  57          2HB       LYS  57  14.059  14.001   7.411
  472   2HB   LYS  57          1HB       LYS  57  12.464  13.274   7.464
  473   1HG   LYS  57          2HG       LYS  57  13.203  12.101   9.571
  474   2HG   LYS  57          1HG       LYS  57  14.628  13.139   9.536
  475   1HD   LYS  57          2HD       LYS  57  11.746  13.918   9.868
  476   2HD   LYS  57          1HD       LYS  57  13.089  14.230  10.960
  477   1HE   LYS  57          2HE       LYS  57  12.530  15.560   8.294
  478   2HE   LYS  57          1HE       LYS  57  12.479  16.287   9.879
  479   1HZ   LYS  57          1HZ       LYS  57  14.985  15.192   8.769
  480   2HZ   LYS  57          2HZ       LYS  57  14.769  16.449   9.954
  481   3HZ   LYS  57          3HZ       LYS  57  14.405  16.657   8.324
  482    H    LEU  58           H        LEU  58  15.638  12.078   5.997
  483    HA   LEU  58           HA       LEU  58  15.540  12.461   2.868
  484   1HB   LEU  58          2HB       LEU  58  17.814  12.510   4.038
  485   2HB   LEU  58          1HB       LEU  58  17.494  10.905   4.620
  486    HG   LEU  58           HG       LEU  58  17.650  11.326   1.647
  487   1HD1  LEU  58          1HD1      LEU  58  19.576  12.522   2.567
  488   2HD1  LEU  58          2HD1      LEU  58  20.069  11.011   1.800
  489   3HD1  LEU  58          3HD1      LEU  58  19.973  11.121   3.558
  490   1HD2  LEU  58          1HD2      LEU  58  18.575   9.090   1.749
  491   2HD2  LEU  58          2HD2      LEU  58  17.036   9.155   2.615
  492   3HD2  LEU  58          3HD2      LEU  58  18.553   9.137   3.514
  493    H    LYS  59           H        LYS  59  14.115   9.958   4.791
  494    HA   LYS  59           HA       LYS  59  13.657   8.234   4.106
  495   1HB   LYS  59          2HB       LYS  59  12.087   9.397   5.221
  496   2HB   LYS  59          1HB       LYS  59  11.431  10.171   3.804
  497   1HG   LYS  59          2HG       LYS  59   9.819   8.598   4.342
  498   2HG   LYS  59          1HG       LYS  59  10.743   7.758   3.099
  499   1HD   LYS  59          2HD       LYS  59  10.986   7.383   6.102
  500   2HD   LYS  59          1HD       LYS  59  10.110   6.324   5.011
  501   1HE   LYS  59          2HE       LYS  59  13.106   6.761   5.135
  502   2HE   LYS  59          1HE       LYS  59  12.203   5.344   5.595
  503   1HZ   LYS  59          1HZ       LYS  59  12.407   6.319   2.769
  504   2HZ   LYS  59          2HZ       LYS  59  11.616   4.935   3.278
  505   3HZ   LYS  59          3HZ       LYS  59  13.266   5.080   3.473
  506    H    GLY  60           H        GLY  60  11.635  10.088   2.147
  507   1HA   GLY  60          2HA       GLY  60  10.520   9.974  -0.241
  508   2HA   GLY  60          1HA       GLY  60  12.203  10.137  -0.723
  509    H    GLU  61           H        GLU  61  11.624   8.092  -2.974
  510    HA   GLU  61           HA       GLU  61  11.747   6.506  -3.631
  511   1HB   GLU  61          2HB       GLU  61  14.133   7.196  -2.364
  512   2HB   GLU  61          1HB       GLU  61  13.942   5.470  -2.490
  513   1HG   GLU  61          2HG       GLU  61  15.006   6.481  -4.498
  514   2HG   GLU  61          1HG       GLU  61  13.585   5.510  -4.824
  515    H    VAL  62           H        VAL  62  11.919   4.577  -4.109
  516    HA   VAL  62           HA       VAL  62  10.885   2.467  -3.586
  517    HB   VAL  62           HB       VAL  62  13.863   2.581  -3.647
  518   1HG1  VAL  62          1HG1      VAL  62  13.167   0.352  -2.952
  519   2HG1  VAL  62          2HG1      VAL  62  13.752   0.335  -4.617
  520   3HG1  VAL  62          3HG1      VAL  62  12.019   0.287  -4.291
  521   1HG2  VAL  62          1HG2      VAL  62  11.751   2.324  -5.787
  522   2HG2  VAL  62          2HG2      VAL  62  13.493   2.279  -6.054
  523   3HG2  VAL  62          3HG2      VAL  62  12.731   3.755  -5.475
  524    H    ILE  63           H        ILE  63  13.610   3.666  -2.004
  525    HA   ILE  63           HA       ILE  63  13.246   2.553   0.645
  526    HB   ILE  63           HB       ILE  63  15.620   2.168   1.070
  527   1HG1  ILE  63          2HG1      ILE  63  16.784   3.473  -0.701
  528   2HG1  ILE  63          1HG1      ILE  63  17.320   1.812  -0.693
  529   1HG2  ILE  63          1HG2      ILE  63  14.540   0.384  -1.052
  530   2HG2  ILE  63          2HG2      ILE  63  14.303   0.277   0.693
  531   3HG2  ILE  63          3HG2      ILE  63  15.902   0.005   0.002
  532   1HD1  ILE  63          1HD1      ILE  63  17.120   2.590  -2.935
  533   2HD1  ILE  63          2HD1      ILE  63  15.473   3.121  -2.646
  534   3HD1  ILE  63          3HD1      ILE  63  15.848   1.392  -2.652
  535    H    GLU  64           H        GLU  64  16.124   4.913  -0.115
  536    HA   GLU  64           HA       GLU  64  14.653   6.705   1.432
  537   1HB   GLU  64          2HB       GLU  64  17.553   6.006   0.975
  538   2HB   GLU  64          1HB       GLU  64  16.895   7.183   2.091
  539   1HG   GLU  64          2HG       GLU  64  16.578   4.188   2.262
  540   2HG   GLU  64          1HG       GLU  64  17.644   5.174   3.246
  541    H    GLU  65           H        GLU  65  15.114   8.949   0.485
  542    HA   GLU  65           HA       GLU  65  16.851   9.089  -1.859
  543   1HB   GLU  65          2HB       GLU  65  14.213   9.023  -2.460
  544   2HB   GLU  65          1HB       GLU  65  14.334  10.706  -2.066
  545   1HG   GLU  65          2HG       GLU  65  16.092   9.390  -4.119
  546   2HG   GLU  65          1HG       GLU  65  14.556  10.154  -4.486
  547    H    LYS  66           H        LYS  66  14.748  11.744  -0.834
  548    HA   LYS  66           HA       LYS  66  16.816  12.785   0.852
  549   1HB   LYS  66          2HB       LYS  66  17.054  14.949  -0.200
  550   2HB   LYS  66          1HB       LYS  66  17.509  13.656  -1.293
  551   1HG   LYS  66          2HG       LYS  66  15.476  13.926  -2.545
  552   2HG   LYS  66          1HG       LYS  66  14.860  15.090  -1.368
  553   1HD   LYS  66          2HD       LYS  66  15.702  16.289  -3.286
  554   2HD   LYS  66          1HD       LYS  66  16.751  16.589  -1.911
  555   1HE   LYS  66          2HE       LYS  66  18.123  16.244  -3.848
  556   2HE   LYS  66          1HE       LYS  66  18.314  14.858  -2.786
  557   1HZ   LYS  66          1HZ       LYS  66  16.595  14.982  -5.187
  558   2HZ   LYS  66          2HZ       LYS  66  16.753  13.621  -4.212
  559   3HZ   LYS  66          3HZ       LYS  66  18.076  14.193  -5.103
  560    H    GLU  67           H        GLU  67  16.089  14.660   2.001
  561    HA   GLU  67           HA       GLU  67  13.175  15.130   1.997
  562   1HB   GLU  67          2HB       GLU  67  13.329  16.161   4.208
  563   2HB   GLU  67          1HB       GLU  67  13.918  14.519   4.269
  564   1HG   GLU  67          2HG       GLU  67  16.198  15.361   4.387
  565   2HG   GLU  67          1HG       GLU  67  15.599  17.021   4.286
  566    H    ILE  68           H        ILE  68  12.845  16.766   0.455
  567    HA   ILE  68           HA       ILE  68  14.877  18.608  -0.010
  568    HB   ILE  68           HB       ILE  68  13.482  17.704  -1.792
  569   1HG1  ILE  68          2HG1      ILE  68  12.999  20.684  -1.487
  570   2HG1  ILE  68          1HG1      ILE  68  14.477  19.952  -2.099
  571   1HG2  ILE  68          1HG2      ILE  68  11.421  17.323  -0.675
  572   2HG2  ILE  68          2HG2      ILE  68  11.139  18.324  -2.094
  573   3HG2  ILE  68          3HG2      ILE  68  11.138  19.053  -0.491
  574   1HD1  ILE  68          1HD1      ILE  68  13.090  20.807  -3.898
  575   2HD1  ILE  68          2HD1      ILE  68  11.761  19.772  -3.376
  576   3HD1  ILE  68          3HD1      ILE  68  13.244  19.052  -4.002
  577    H    THR  69           H        THR  69  11.823  20.183   0.641
  578    HA   THR  69           HA       THR  69  12.865  21.998   2.605
  579    HB   THR  69           HB       THR  69  13.219  23.853   0.843
  580    HG1  THR  69           HG1      THR  69  14.612  21.859  -0.505
  581   1HG2  THR  69          1HG2      THR  69  15.464  22.014   1.674
  582   2HG2  THR  69          2HG2      THR  69  14.842  23.396   2.581
  583   3HG2  THR  69          3HG2      THR  69  15.669  23.645   1.040
  584    H    LEU  70           H        LEU  70  11.138  22.840  -0.429
  585    HA   LEU  70           HA       LEU  70  10.406  25.003   0.519
  586   1HB   LEU  70          2HB       LEU  70   9.011  23.219  -1.386
  587   2HB   LEU  70          1HB       LEU  70   8.341  24.778  -1.010
  588    HG   LEU  70           HG       LEU  70  10.540  25.798  -1.739
  589   1HD1  LEU  70          1HD1      LEU  70  11.055  23.036  -2.825
  590   2HD1  LEU  70          2HD1      LEU  70  12.011  23.885  -1.604
  591   3HD1  LEU  70          3HD1      LEU  70  11.946  24.492  -3.255
  592   1HD2  LEU  70          1HD2      LEU  70  10.012  25.607  -4.116
  593   2HD2  LEU  70          2HD2      LEU  70   8.570  25.857  -3.133
  594   3HD2  LEU  70          3HD2      LEU  70   8.941  24.252  -3.764
  595    H    GLN  71           H        GLN  71   8.158  22.308  -0.031
  596    HA   GLN  71           HA       GLN  71   6.671  22.027   2.216
  597   1HB   GLN  71          2HB       GLN  71   5.560  23.858   0.058
  598   2HB   GLN  71          1HB       GLN  71   4.508  22.939   1.093
  599   1HG   GLN  71          2HG       GLN  71   5.398  24.167   3.034
  600   2HG   GLN  71          1HG       GLN  71   6.440  25.089   1.947
  601   1HE2  GLN  71          1HE2      GLN  71   3.159  24.513   2.959
  602   2HE2  GLN  71          2HE2      GLN  71   2.487  25.911   2.222
  603    H    GLU  72           H        GLU  72   4.430  21.031   0.658
  604    HA   GLU  72           HA       GLU  72   5.256  21.364  -1.978
  605   1HB   GLU  72          2HB       GLU  72   3.958  19.434  -3.009
  606   2HB   GLU  72          1HB       GLU  72   5.139  18.844  -1.870
  607   1HG   GLU  72          2HG       GLU  72   3.414  18.432  -0.238
  608   2HG   GLU  72          1HG       GLU  72   2.202  19.157  -1.301
  609    H    LEU  73           H        LEU  73   2.883  21.843  -3.510
  610    HA   LEU  73           HA       LEU  73   2.193  23.911  -1.766
  611   1HB   LEU  73          2HB       LEU  73   1.743  23.433  -4.683
  612   2HB   LEU  73          1HB       LEU  73   0.952  24.738  -3.829
  613    HG   LEU  73           HG       LEU  73   3.263  25.541  -3.151
  614   1HD1  LEU  73          1HD1      LEU  73   5.151  24.905  -4.536
  615   2HD1  LEU  73          2HD1      LEU  73   4.169  23.671  -5.321
  616   3HD1  LEU  73          3HD1      LEU  73   4.544  23.537  -3.602
  617   1HD2  LEU  73          1HD2      LEU  73   3.653  26.649  -5.308
  618   2HD2  LEU  73          2HD2      LEU  73   1.964  26.680  -4.808
  619   3HD2  LEU  73          3HD2      LEU  73   2.491  25.549  -6.055
  620    H    ILE  74           H        ILE  74   0.620  23.121  -0.250
  621    HA   ILE  74           HA       ILE  74  -1.918  22.810  -1.276
  622    HB   ILE  74           HB       ILE  74  -1.169  20.474  -1.474
  623   1HG1  ILE  74          2HG1      ILE  74  -2.850  19.374  -0.027
  624   2HG1  ILE  74          1HG1      ILE  74  -3.026  20.875   0.876
  625   1HG2  ILE  74          1HG2      ILE  74   0.649  20.458   0.111
  626   2HG2  ILE  74          2HG2      ILE  74  -0.490  19.162   0.486
  627   3HG2  ILE  74          3HG2      ILE  74  -0.481  20.636   1.453
  628   1HD1  ILE  74          1HD1      ILE  74  -3.842  21.985  -1.142
  629   2HD1  ILE  74          2HD1      ILE  74  -4.821  20.588  -0.712
  630   3HD1  ILE  74          3HD1      ILE  74  -3.663  20.475  -2.036