*HEADER    APOPTOSIS                               21-FEB-19   6O1Q              
*TITLE     THE N-TERMINAL DOMAIN OF NPHP1 FOLDS INTO AN ANTIPARALLEL THREE-      
*TITLE    2 STRANDED COILED COIL                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEPHROCYSTIN-1;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL RESIDUES 1-115;                                 
*COMPND   5 SYNONYM: JUVENILE NEPHRONOPHTHISIS 1 PROTEIN;                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: NPHP1, NPH1;                                                   
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    NEPHRONOPHTHISIS, APOPTOSIS                                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    G.MUSCO,V.MANNELLA                                                    
*REVDAT   1   14-AUG-19 6O1Q    0                                                
# Restraints file 1: talos_psi.tbl
! using 1.5 times the talos error! 

!   13 P 	TALOS PSI = -35.12 +/-  3.74  
ASSIGN (resid   13 and name N ) (resid   13 and name CA )
       (resid   13 and name C) (resid   14 and name N )  1.00  -35.12   5.61   2

!   14 L 	TALOS PSI = -41.34 +/-  6.19  
ASSIGN (resid   14 and name N ) (resid   14 and name CA )
       (resid   14 and name C) (resid   15 and name N )  1.00  -41.34   9.28   2

!   15 Q 	TALOS PSI = -41.80 +/-  4.33  
ASSIGN (resid   15 and name N ) (resid   15 and name CA )
       (resid   15 and name C) (resid   16 and name N )  1.00  -41.80   6.49   2

!   16 A 	TALOS PSI = -39.17 +/-  3.80  
ASSIGN (resid   16 and name N ) (resid   16 and name CA )
       (resid   16 and name C) (resid   17 and name N )  1.00  -39.17   5.71   2

!   17 L 	TALOS PSI = -44.06 +/-  4.27  
ASSIGN (resid   17 and name N ) (resid   17 and name CA )
       (resid   17 and name C) (resid   18 and name N )  1.00  -44.06   6.40   2

!   18 R 	TALOS PSI = -40.93 +/-  5.13  
ASSIGN (resid   18 and name N ) (resid   18 and name CA )
       (resid   18 and name C) (resid   19 and name N )  1.00  -40.93   7.70   2

!   19 R 	TALOS PSI = -40.69 +/-  4.55  
ASSIGN (resid   19 and name N ) (resid   19 and name CA )
       (resid   19 and name C) (resid   20 and name N )  1.00  -40.69   6.83   2

!   20 R 	TALOS PSI = -40.30 +/-  5.72  
ASSIGN (resid   20 and name N ) (resid   20 and name CA )
       (resid   20 and name C) (resid   21 and name N )  1.00  -40.30   8.58   2

!   21 N 	TALOS PSI = -38.39 +/-  3.67  
ASSIGN (resid   21 and name N ) (resid   21 and name CA )
       (resid   21 and name C) (resid   22 and name N )  1.00  -38.39   5.51   2

!   22 Q 	TALOS PSI = -39.38 +/-  4.41  
ASSIGN (resid   22 and name N ) (resid   22 and name CA )
       (resid   22 and name C) (resid   23 and name N )  1.00  -39.38   6.61   2

!   23 E 	TALOS PSI = -42.16 +/-  3.50  
ASSIGN (resid   23 and name N ) (resid   23 and name CA )
       (resid   23 and name C) (resid   24 and name N )  1.00  -42.16   5.25   2

!   24 L 	TALOS PSI = -42.07 +/-  4.33  
ASSIGN (resid   24 and name N ) (resid   24 and name CA )
       (resid   24 and name C) (resid   25 and name N )  1.00  -42.07   6.50   2

!   25 K 	TALOS PSI = -42.46 +/-  3.43  
ASSIGN (resid   25 and name N ) (resid   25 and name CA )
       (resid   25 and name C) (resid   26 and name N )  1.00  -42.46   5.14   2

!   26 Q 	TALOS PSI = -40.54 +/-  3.21  
ASSIGN (resid   26 and name N ) (resid   26 and name CA )
       (resid   26 and name C) (resid   27 and name N )  1.00  -40.54   4.81   2

!   27 Q 	TALOS PSI = -41.45 +/-  3.72  
ASSIGN (resid   27 and name N ) (resid   27 and name CA )
       (resid   27 and name C) (resid   28 and name N )  1.00  -41.45   5.58   2

!   28 V 	TALOS PSI = -43.06 +/-  3.65  
ASSIGN (resid   28 and name N ) (resid   28 and name CA )
       (resid   28 and name C) (resid   29 and name N )  1.00  -43.06   5.48   2

!   29 D 	TALOS PSI = -40.13 +/-  4.13  
ASSIGN (resid   29 and name N ) (resid   29 and name CA )
       (resid   29 and name C) (resid   30 and name N )  1.00  -40.13   6.20   2

!   30 S 	TALOS PSI = -39.53 +/-  3.39  
ASSIGN (resid   30 and name N ) (resid   30 and name CA )
       (resid   30 and name C) (resid   31 and name N )  1.00  -39.53   5.09   2

!   31 L 	TALOS PSI = -44.10 +/-  5.50  
ASSIGN (resid   31 and name N ) (resid   31 and name CA )
       (resid   31 and name C) (resid   32 and name N )  1.00  -44.10   8.26   2

!   32 L 	TALOS PSI = -39.39 +/-  3.48  
ASSIGN (resid   32 and name N ) (resid   32 and name CA )
       (resid   32 and name C) (resid   33 and name N )  1.00  -39.39   5.22   2

!   33 S 	TALOS PSI = -39.56 +/-  4.42  
ASSIGN (resid   33 and name N ) (resid   33 and name CA )
       (resid   33 and name C) (resid   34 and name N )  1.00  -39.56   6.63   2

!   34 E 	TALOS PSI = -36.52 +/-  8.85  
ASSIGN (resid   34 and name N ) (resid   34 and name CA )
       (resid   34 and name C) (resid   35 and name N )  1.00  -36.52   13.27   2

!   35 S 	TALOS PSI = -22.57 +/-  6.22  
ASSIGN (resid   35 and name N ) (resid   35 and name CA )
       (resid   35 and name C) (resid   36 and name N )  1.00  -22.57   9.33   2

!   36 Q 	TALOS PSI = -9.05 +/- 10.51  
ASSIGN (resid   36 and name N ) (resid   36 and name CA )
       (resid   36 and name C) (resid   37 and name N )  1.00  -9.05   15.76   2

!   38 K 	TALOS PSI = -39.39 +/-  5.81  
ASSIGN (resid   38 and name N ) (resid   38 and name CA )
       (resid   38 and name C) (resid   39 and name N )  1.00  -39.39   8.72   2

!   39 E 	TALOS PSI = -27.99 +/-  6.22  
ASSIGN (resid   39 and name N ) (resid   39 and name CA )
       (resid   39 and name C) (resid   40 and name N )  1.00  -27.99   9.34   2

!   40 A 	TALOS PSI = -14.35 +/-  9.22  
ASSIGN (resid   40 and name N ) (resid   40 and name CA )
       (resid   40 and name C) (resid   41 and name N )  1.00  -14.35   13.84   2

!   43 P 	TALOS PSI = -40.19 +/-  6.00  
ASSIGN (resid   43 and name N ) (resid   43 and name CA )
       (resid   43 and name C) (resid   44 and name N )  1.00  -40.19   9.00   2

!   44 N 	TALOS PSI = -37.68 +/-  6.49  
ASSIGN (resid   44 and name N ) (resid   44 and name CA )
       (resid   44 and name C) (resid   45 and name N )  1.00  -37.68   9.74   2

!   45 K 	TALOS PSI = -38.60 +/-  4.13  
ASSIGN (resid   45 and name N ) (resid   45 and name CA )
       (resid   45 and name C) (resid   46 and name N )  1.00  -38.60   6.20   2

!   46 R 	TALOS PSI = -43.25 +/-  4.58  
ASSIGN (resid   46 and name N ) (resid   46 and name CA )
       (resid   46 and name C) (resid   47 and name N )  1.00  -43.25   6.88   2

!   47 Q 	TALOS PSI = -38.95 +/-  4.74  
ASSIGN (resid   47 and name N ) (resid   47 and name CA )
       (resid   47 and name C) (resid   48 and name N )  1.00  -38.95   7.11   2

!   48 H 	TALOS PSI = -42.31 +/-  4.38  
ASSIGN (resid   48 and name N ) (resid   48 and name CA )
       (resid   48 and name C) (resid   49 and name N )  1.00  -42.31   6.57   2

!   49 I 	TALOS PSI = -42.46 +/-  4.28  
ASSIGN (resid   49 and name N ) (resid   49 and name CA )
       (resid   49 and name C) (resid   50 and name N )  1.00  -42.46   6.42   2

!   50 Y 	TALOS PSI = -45.64 +/-  2.69  
ASSIGN (resid   50 and name N ) (resid   50 and name CA )
       (resid   50 and name C) (resid   51 and name N )  1.00  -45.64   4.04   2

!   51 Q 	TALOS PSI = -38.47 +/-  4.84  
ASSIGN (resid   51 and name N ) (resid   51 and name CA )
       (resid   51 and name C) (resid   52 and name N )  1.00  -38.47   7.26   2

!   52 R 	TALOS PSI = -39.45 +/-  4.83  
ASSIGN (resid   52 and name N ) (resid   52 and name CA )
       (resid   52 and name C) (resid   53 and name N )  1.00  -39.45   7.24   2

!   53 C 	TALOS PSI = -42.01 +/-  3.44  
ASSIGN (resid   53 and name N ) (resid   53 and name CA )
       (resid   53 and name C) (resid   54 and name N )  1.00  -42.01   5.16   2

!   54 I 	TALOS PSI = -39.42 +/-  5.29  
ASSIGN (resid   54 and name N ) (resid   54 and name CA )
       (resid   54 and name C) (resid   55 and name N )  1.00  -39.42   7.94   2

!   55 Q 	TALOS PSI = -42.19 +/-  4.20  
ASSIGN (resid   55 and name N ) (resid   55 and name CA )
       (resid   55 and name C) (resid   56 and name N )  1.00  -42.19   6.31   2

!   56 L 	TALOS PSI = -39.55 +/-  3.63  
ASSIGN (resid   56 and name N ) (resid   56 and name CA )
       (resid   56 and name C) (resid   57 and name N )  1.00  -39.55   5.45   2

!   57 K 	TALOS PSI = -41.90 +/-  4.40  
ASSIGN (resid   57 and name N ) (resid   57 and name CA )
       (resid   57 and name C) (resid   58 and name N )  1.00  -41.90   6.60   2

!   58 Q 	TALOS PSI = -42.01 +/-  4.36  
ASSIGN (resid   58 and name N ) (resid   58 and name CA )
       (resid   58 and name C) (resid   59 and name N )  1.00  -42.01   6.54   2

!   59 A 	TALOS PSI = -41.72 +/-  4.81  
ASSIGN (resid   59 and name N ) (resid   59 and name CA )
       (resid   59 and name C) (resid   60 and name N )  1.00  -41.72   7.21   2

!   60 I 	TALOS PSI = -44.72 +/-  4.14  
ASSIGN (resid   60 and name N ) (resid   60 and name CA )
       (resid   60 and name C) (resid   61 and name N )  1.00  -44.72   6.21   2

!   61 D 	TALOS PSI = -42.02 +/-  3.37  
ASSIGN (resid   61 and name N ) (resid   61 and name CA )
       (resid   61 and name C) (resid   62 and name N )  1.00  -42.02   5.06   2

!   62 E 	TALOS PSI = -38.86 +/-  5.72  
ASSIGN (resid   62 and name N ) (resid   62 and name CA )
       (resid   62 and name C) (resid   63 and name N )  1.00  -38.86   8.58   2

!   63 N 	TALOS PSI = -38.39 +/-  4.63  
ASSIGN (resid   63 and name N ) (resid   63 and name CA )
       (resid   63 and name C) (resid   64 and name N )  1.00  -38.39   6.94   2

!   64 K 	TALOS PSI = -41.02 +/-  3.88  
ASSIGN (resid   64 and name N ) (resid   64 and name CA )
       (resid   64 and name C) (resid   65 and name N )  1.00  -41.02   5.82   2

!   65 N 	TALOS PSI = -41.16 +/-  4.28  
ASSIGN (resid   65 and name N ) (resid   65 and name CA )
       (resid   65 and name C) (resid   66 and name N )  1.00  -41.16   6.42   2

!   66 A 	TALOS PSI = -40.21 +/-  4.50  
ASSIGN (resid   66 and name N ) (resid   66 and name CA )
       (resid   66 and name C) (resid   67 and name N )  1.00  -40.21   6.75   2

!   67 L 	TALOS PSI = -39.32 +/-  5.44  
ASSIGN (resid   67 and name N ) (resid   67 and name CA )
       (resid   67 and name C) (resid   68 and name N )  1.00  -39.32   8.16   2

!   68 Q 	TALOS PSI = -26.02 +/-  5.35  
ASSIGN (resid   68 and name N ) (resid   68 and name CA )
       (resid   68 and name C) (resid   69 and name N )  1.00  -26.02   8.02   2

!   69 K 	TALOS PSI = -14.71 +/-  9.04  
ASSIGN (resid   69 and name N ) (resid   69 and name CA )
       (resid   69 and name C) (resid   70 and name N )  1.00  -14.71   13.56   2

!   73 A 	TALOS PSI = -16.43 +/-  7.45  
ASSIGN (resid   73 and name N ) (resid   73 and name CA )
       (resid   73 and name C) (resid   74 and name N )  1.00  -16.43   11.18   2

!   74 D 	TALOS PSI = -10.89 +/-  8.50  
ASSIGN (resid   74 and name N ) (resid   74 and name CA )
       (resid   74 and name C) (resid   75 and name N )  1.00  -10.89   12.76   2

!   81 N 	TALOS PSI = -31.42 +/- 12.95  
ASSIGN (resid   81 and name N ) (resid   81 and name CA )
       (resid   81 and name C) (resid   82 and name N )  1.00  -31.42   19.42   2

!   82 Y 	TALOS PSI = -46.10 +/-  5.11  
ASSIGN (resid   82 and name N ) (resid   82 and name CA )
       (resid   82 and name C) (resid   83 and name N )  1.00  -46.10   7.66   2

!   83 N 	TALOS PSI = -36.56 +/-  5.82  
ASSIGN (resid   83 and name N ) (resid   83 and name CA )
       (resid   83 and name C) (resid   84 and name N )  1.00  -36.56   8.73   2

!   84 Q 	TALOS PSI = -42.85 +/-  4.73  
ASSIGN (resid   84 and name N ) (resid   84 and name CA )
       (resid   84 and name C) (resid   85 and name N )  1.00  -42.85   7.10   2

!   85 R 	TALOS PSI = -36.22 +/-  5.04  
ASSIGN (resid   85 and name N ) (resid   85 and name CA )
       (resid   85 and name C) (resid   86 and name N )  1.00  -36.22   7.57   2

!   86 K 	TALOS PSI = -43.27 +/-  4.50  
ASSIGN (resid   86 and name N ) (resid   86 and name CA )
       (resid   86 and name C) (resid   87 and name N )  1.00  -43.27   6.76   2

!   87 E 	TALOS PSI = -40.37 +/-  3.53  
ASSIGN (resid   87 and name N ) (resid   87 and name CA )
       (resid   87 and name C) (resid   88 and name N )  1.00  -40.37   5.29   2

!   88 E 	TALOS PSI = -40.68 +/-  5.89  
ASSIGN (resid   88 and name N ) (resid   88 and name CA )
       (resid   88 and name C) (resid   89 and name N )  1.00  -40.68   8.83   2

!   89 E 	TALOS PSI = -39.33 +/-  4.27  
ASSIGN (resid   89 and name N ) (resid   89 and name CA )
       (resid   89 and name C) (resid   90 and name N )  1.00  -39.33   6.41   2

!   90 H 	TALOS PSI = -42.83 +/-  3.19  
ASSIGN (resid   90 and name N ) (resid   90 and name CA )
       (resid   90 and name C) (resid   91 and name N )  1.00  -42.83   4.79   2

!   91 T 	TALOS PSI = -40.94 +/-  4.06  
ASSIGN (resid   91 and name N ) (resid   91 and name CA )
       (resid   91 and name C) (resid   92 and name N )  1.00  -40.94   6.09   2

!   92 L 	TALOS PSI = -45.38 +/-  3.88  
ASSIGN (resid   92 and name N ) (resid   92 and name CA )
       (resid   92 and name C) (resid   93 and name N )  1.00  -45.38   5.83   2

!   93 L 	TALOS PSI = -39.79 +/-  4.05  
ASSIGN (resid   93 and name N ) (resid   93 and name CA )
       (resid   93 and name C) (resid   94 and name N )  1.00  -39.79   6.08   2

!   94 D 	TALOS PSI = -38.52 +/-  4.04  
ASSIGN (resid   94 and name N ) (resid   94 and name CA )
       (resid   94 and name C) (resid   95 and name N )  1.00  -38.52   6.06   2

!   95 K 	TALOS PSI = -41.28 +/-  5.25  
ASSIGN (resid   95 and name N ) (resid   95 and name CA )
       (resid   95 and name C) (resid   96 and name N )  1.00  -41.28   7.87   2

!   96 L 	TALOS PSI = -39.53 +/-  4.51  
ASSIGN (resid   96 and name N ) (resid   96 and name CA )
       (resid   96 and name C) (resid   97 and name N )  1.00  -39.53   6.77   2

!   97 T 	TALOS PSI = -44.83 +/-  3.62  
ASSIGN (resid   97 and name N ) (resid   97 and name CA )
       (resid   97 and name C) (resid   98 and name N )  1.00  -44.83   5.43   2

!   98 Q 	TALOS PSI = -41.39 +/-  3.51  
ASSIGN (resid   98 and name N ) (resid   98 and name CA )
       (resid   98 and name C) (resid   99 and name N )  1.00  -41.39   5.27   2

!   99 Q 	TALOS PSI = -42.62 +/-  3.98  
ASSIGN (resid   99 and name N ) (resid   99 and name CA )
       (resid   99 and name C) (resid  100 and name N )  1.00  -42.62   5.97   2

!  100 L 	TALOS PSI = -38.54 +/-  5.17  
ASSIGN (resid  100 and name N ) (resid  100 and name CA )
       (resid  100 and name C) (resid  101 and name N )  1.00  -38.54   7.75   2

!  101 Q 	TALOS PSI = -39.42 +/-  4.93  
ASSIGN (resid  101 and name N ) (resid  101 and name CA )
       (resid  101 and name C) (resid  102 and name N )  1.00  -39.42   7.39   2

!  102 G 	TALOS PSI = -37.92 +/-  4.92  
ASSIGN (resid  102 and name N ) (resid  102 and name CA )
       (resid  102 and name C) (resid  103 and name N )  1.00  -37.92   7.39   2

!  103 L 	TALOS PSI = -43.35 +/-  3.69  
ASSIGN (resid  103 and name N ) (resid  103 and name CA )
       (resid  103 and name C) (resid  104 and name N )  1.00  -43.35   5.54   2

!  104 A 	TALOS PSI = -40.78 +/-  3.59  
ASSIGN (resid  104 and name N ) (resid  104 and name CA )
       (resid  104 and name C) (resid  105 and name N )  1.00  -40.78   5.39   2

!  105 V 	TALOS PSI = -39.36 +/-  5.23  
ASSIGN (resid  105 and name N ) (resid  105 and name CA )
       (resid  105 and name C) (resid  106 and name N )  1.00  -39.36   7.85   2

!  106 T 	TALOS PSI = -40.85 +/-  5.35  
ASSIGN (resid  106 and name N ) (resid  106 and name CA )
       (resid  106 and name C) (resid  107 and name N )  1.00  -40.85   8.02   2

!  107 I 	TALOS PSI = -32.81 +/-  6.37  
ASSIGN (resid  107 and name N ) (resid  107 and name CA )
       (resid  107 and name C) (resid  108 and name N )  1.00  -32.81   9.55   2

!  108 S 	TALOS PSI = -20.45 +/-  9.65  
ASSIGN (resid  108 and name N ) (resid  108 and name CA )
       (resid  108 and name C) (resid  109 and name N )  1.00  -20.45   14.48   2

# Restraints file 2: talos_chi1.tbl
! using 1.5 times the talos error! 

!   21 N 	TALOS chi1 = -74.60 +/-  8.0  
ASSIGN (resid   21 and name N ) (resid   21 and name CA  )
       (resid   21 and name CB) (resid   21 and name CG )  1.00  -74.60   12.00   2
        
!   27 Q 	TALOS chi1 = -64.00 +/- 8.7
ASSIGN (resid   27 and name N ) (resid   27 and name CA  )
       (resid   27 and name CB) (resid   27 and name CG )  1.00  -64.00  13.05   2

!   32 L 	TALOS chi1 = -71.10 +/-  6.30  
ASSIGN (resid   32 and name N ) (resid   32 and name CA  )
       (resid   32 and name CB) (resid   32 and name CG )  1.00  -71.10   9.45   2

!   37 L 	TALOS chi1 = -71.30 +/-  7.40  
ASSIGN (resid   37 and name N ) (resid   37 and name CA  )
       (resid   37 and name CB) (resid   37 and name CG )  1.00  -71.30   11.10   2

!   44N 	TALOS chi1 = -69.00 +/-  9.30 
ASSIGN (resid   44 and name N ) (resid   44 and name CA  )
       (resid   44 and name CB) (resid   44 and name CG )  1.00  -69.00   13.95   2

!   63 N 	TALOS chi1 = -75.00 +/-  9.20  
ASSIGN (resid   63 and name N ) (resid   63 and name CA  )
       (resid   63 and name CB) (resid   63 and name CG )  1.00  -75.00   13.80   2

!   65 N 	TALOS chi1 = -72.70 +/- 10.50  
ASSIGN (resid   65 and name N ) (resid   65 and name CA  )
       (resid   65 and name CB) (resid   65 and name CG )  1.00  -72.70   15.75   2

!   83 N 	TALOS chi1 = -73.10 +/-  9.40  
ASSIGN (resid   83 and name N ) (resid   83 and name CA  )
       (resid   83 and name CB) (resid   83 and name CG )  1.00  -73.10   14.10   2

!   92 L 	TALOS chi1 = 177.80 +/-  4.90  
ASSIGN (resid   92 and name N ) (resid   92 and name CA  )
       (resid   92 and name CB) (resid   92 and name CG )  1.00   177.80   7.35   2

!   93 L 	TALOS chi1 = -71.80 +/-  6.70  
ASSIGN (resid   93 and name N ) (resid   93 and name CA  )
       (resid   93 and name CB) (resid   93 and name CG )  1.00  -71.80   10.05   2

!   96 L 	TALOS chi1 = -73.80 +/-  9.90  
ASSIGN (resid   96 and name N ) (resid   96 and name CA  )
       (resid   96 and name CB) (resid   96 and name CG )  1.00  -73.80   14.85   2

!   97 T 	TALOS chi1 = -62.00 +/-  6.20  
ASSIGN (resid   97 and name N ) (resid   97 and name CA  )
       (resid   97 and name CB) (resid   97 and name CG )  1.00  -62.00   9.30   2

!  100 L 	TALOS chi1 = -69.50 +/-  7.20  
ASSIGN (resid  100 and name N ) (resid  100 and name CA  )
       (resid  100 and name CB) (resid  100 and name CG )  1.00  -69.50   10.80   2





# Restraints file 3: talos_phi.tbl
! using 1.5 times the talos error! 

!   13 P 	TALOS PHI = -54.68 +/-  4.77  
ASSIGN (resid   12 and name C ) (resid   13 and name N )
       (resid   13 and name CA) (resid   13 and name C )  1.00  -54.68   7.16   2

!   14 L 	TALOS PHI = -65.25 +/-  5.17  
ASSIGN (resid   13 and name C ) (resid   14 and name N )
       (resid   14 and name CA) (resid   14 and name C )  1.00  -65.25   7.75   2

!   15 Q 	TALOS PHI = -67.12 +/-  4.90  
ASSIGN (resid   14 and name C ) (resid   15 and name N )
       (resid   15 and name CA) (resid   15 and name C )  1.00  -67.12   7.34   2

!   16 A 	TALOS PHI = -65.34 +/-  2.14  
ASSIGN (resid   15 and name C ) (resid   16 and name N )
       (resid   16 and name CA) (resid   16 and name C )  1.00  -65.34   3.21   2

!   17 L 	TALOS PHI = -64.90 +/-  3.81  
ASSIGN (resid   16 and name C ) (resid   17 and name N )
       (resid   17 and name CA) (resid   17 and name C )  1.00  -64.90   5.71   2

!   18 R 	TALOS PHI = -64.60 +/-  3.38  
ASSIGN (resid   17 and name C ) (resid   18 and name N )
       (resid   18 and name CA) (resid   18 and name C )  1.00  -64.60   5.07   2

!   19 R 	TALOS PHI = -64.90 +/-  3.75  
ASSIGN (resid   18 and name C ) (resid   19 and name N )
       (resid   19 and name CA) (resid   19 and name C )  1.00  -64.90   5.62   2

!   20 R 	TALOS PHI = -66.14 +/-  3.39  
ASSIGN (resid   19 and name C ) (resid   20 and name N )
       (resid   20 and name CA) (resid   20 and name C )  1.00  -66.14   5.08   2

!   21 N 	TALOS PHI = -65.03 +/-  3.94  
ASSIGN (resid   20 and name C ) (resid   21 and name N )
       (resid   21 and name CA) (resid   21 and name C )  1.00  -65.03   5.91   2

!   22 Q 	TALOS PHI = -67.52 +/-  3.46  
ASSIGN (resid   21 and name C ) (resid   22 and name N )
       (resid   22 and name CA) (resid   22 and name C )  1.00  -67.52   5.19   2

!   23 E 	TALOS PHI = -65.25 +/-  3.04  
ASSIGN (resid   22 and name C ) (resid   23 and name N )
       (resid   23 and name CA) (resid   23 and name C )  1.00  -65.25   4.57   2

!   24 L 	TALOS PHI = -64.83 +/-  4.06  
ASSIGN (resid   23 and name C ) (resid   24 and name N )
       (resid   24 and name CA) (resid   24 and name C )  1.00  -64.83   6.09   2

!   25 K 	TALOS PHI = -63.12 +/-  3.38  
ASSIGN (resid   24 and name C ) (resid   25 and name N )
       (resid   25 and name CA) (resid   25 and name C )  1.00  -63.12   5.07   2

!   26 Q 	TALOS PHI = -65.33 +/-  3.35  
ASSIGN (resid   25 and name C ) (resid   26 and name N )
       (resid   26 and name CA) (resid   26 and name C )  1.00  -65.33   5.03   2

!   27 Q 	TALOS PHI = -65.69 +/-  3.72  
ASSIGN (resid   26 and name C ) (resid   27 and name N )
       (resid   27 and name CA) (resid   27 and name C )  1.00  -65.69   5.58   2

!   28 V 	TALOS PHI = -63.26 +/-  3.58  
ASSIGN (resid   27 and name C ) (resid   28 and name N )
       (resid   28 and name CA) (resid   28 and name C )  1.00  -63.26   5.37   2

!   29 D 	TALOS PHI = -63.14 +/-  2.85  
ASSIGN (resid   28 and name C ) (resid   29 and name N )
       (resid   29 and name CA) (resid   29 and name C )  1.00  -63.14   4.28   2

!   30 S 	TALOS PHI = -64.80 +/-  2.74  
ASSIGN (resid   29 and name C ) (resid   30 and name N )
       (resid   30 and name CA) (resid   30 and name C )  1.00  -64.80   4.11   2

!   31 L 	TALOS PHI = -65.85 +/-  4.08  
ASSIGN (resid   30 and name C ) (resid   31 and name N )
       (resid   31 and name CA) (resid   31 and name C )  1.00  -65.85   6.12   2

!   32 L 	TALOS PHI = -65.28 +/-  2.88  
ASSIGN (resid   31 and name C ) (resid   32 and name N )
       (resid   32 and name CA) (resid   32 and name C )  1.00  -65.28   4.33   2

!   33 S 	TALOS PHI = -65.24 +/-  3.61  
ASSIGN (resid   32 and name C ) (resid   33 and name N )
       (resid   33 and name CA) (resid   33 and name C )  1.00  -65.24   5.41   2

!   34 E 	TALOS PHI = -66.02 +/-  4.80  
ASSIGN (resid   33 and name C ) (resid   34 and name N )
       (resid   34 and name CA) (resid   34 and name C )  1.00  -66.02   7.20   2

!   35 S 	TALOS PHI = -67.06 +/-  4.20  
ASSIGN (resid   34 and name C ) (resid   35 and name N )
       (resid   35 and name CA) (resid   35 and name C )  1.00  -67.06   6.30   2

!   36 Q 	TALOS PHI = -85.96 +/- 11.06  
ASSIGN (resid   35 and name C ) (resid   36 and name N )
       (resid   36 and name CA) (resid   36 and name C )  1.00  -85.96   16.59   2

!   38 K 	TALOS PHI = -62.59 +/-  5.96  
ASSIGN (resid   37 and name C ) (resid   38 and name N )
       (resid   38 and name CA) (resid   38 and name C )  1.00  -62.59   8.93   2

!   39 E 	TALOS PHI = -66.41 +/-  6.16  
ASSIGN (resid   38 and name C ) (resid   39 and name N )
       (resid   39 and name CA) (resid   39 and name C )  1.00  -66.41   9.24   2

!   40 A 	TALOS PHI = -78.08 +/-  9.28  
ASSIGN (resid   39 and name C ) (resid   40 and name N )
       (resid   40 and name CA) (resid   40 and name C )  1.00  -78.08   13.91   2

!   43 P 	TALOS PHI = -53.18 +/-  3.33  
ASSIGN (resid   42 and name C ) (resid   43 and name N )
       (resid   43 and name CA) (resid   43 and name C )  1.00  -53.18   4.99   2

!   44 N 	TALOS PHI = -66.00 +/-  5.99  
ASSIGN (resid   43 and name C ) (resid   44 and name N )
       (resid   44 and name CA) (resid   44 and name C )  1.00  -66.00   8.98   2

!   45 K 	TALOS PHI = -69.96 +/-  4.32  
ASSIGN (resid   44 and name C ) (resid   45 and name N )
       (resid   45 and name CA) (resid   45 and name C )  1.00  -69.96   6.48   2

!   46 R 	TALOS PHI = -62.99 +/-  4.30  
ASSIGN (resid   45 and name C ) (resid   46 and name N )
       (resid   46 and name CA) (resid   46 and name C )  1.00  -62.99   6.45   2

!   47 Q 	TALOS PHI = -64.01 +/-  4.02  
ASSIGN (resid   46 and name C ) (resid   47 and name N )
       (resid   47 and name CA) (resid   47 and name C )  1.00  -64.01   6.03   2

!   48 H 	TALOS PHI = -64.71 +/-  3.08  
ASSIGN (resid   47 and name C ) (resid   48 and name N )
       (resid   48 and name CA) (resid   48 and name C )  1.00  -64.71   4.62   2

!   49 I 	TALOS PHI = -63.39 +/-  3.98  
ASSIGN (resid   48 and name C ) (resid   49 and name N )
       (resid   49 and name CA) (resid   49 and name C )  1.00  -63.39   5.98   2

!   50 Y 	TALOS PHI = -61.77 +/-  3.64  
ASSIGN (resid   49 and name C ) (resid   50 and name N )
       (resid   50 and name CA) (resid   50 and name C )  1.00  -61.77   5.45   2

!   51 Q 	TALOS PHI = -63.76 +/-  3.37  
ASSIGN (resid   50 and name C ) (resid   51 and name N )
       (resid   51 and name CA) (resid   51 and name C )  1.00  -63.76   5.06   2

!   52 R 	TALOS PHI = -66.58 +/-  3.31  
ASSIGN (resid   51 and name C ) (resid   52 and name N )
       (resid   52 and name CA) (resid   52 and name C )  1.00  -66.58   4.97   2

!   53 C 	TALOS PHI = -63.29 +/-  2.65  
ASSIGN (resid   52 and name C ) (resid   53 and name N )
       (resid   53 and name CA) (resid   53 and name C )  1.00  -63.29   3.97   2

!   54 I 	TALOS PHI = -64.93 +/-  4.00  
ASSIGN (resid   53 and name C ) (resid   54 and name N )
       (resid   54 and name CA) (resid   54 and name C )  1.00  -64.93   6.00   2

!   55 Q 	TALOS PHI = -65.95 +/-  2.62  
ASSIGN (resid   54 and name C ) (resid   55 and name N )
       (resid   55 and name CA) (resid   55 and name C )  1.00  -65.95   3.92   2

!   56 L 	TALOS PHI = -66.40 +/-  2.60  
ASSIGN (resid   55 and name C ) (resid   56 and name N )
       (resid   56 and name CA) (resid   56 and name C )  1.00  -66.40   3.91   2

!   57 K 	TALOS PHI = -63.38 +/-  4.41  
ASSIGN (resid   56 and name C ) (resid   57 and name N )
       (resid   57 and name CA) (resid   57 and name C )  1.00  -63.38   6.62   2

!   58 Q 	TALOS PHI = -65.71 +/-  3.61  
ASSIGN (resid   57 and name C ) (resid   58 and name N )
       (resid   58 and name CA) (resid   58 and name C )  1.00  -65.71   5.41   2

!   59 A 	TALOS PHI = -66.01 +/-  4.20  
ASSIGN (resid   58 and name C ) (resid   59 and name N )
       (resid   59 and name CA) (resid   59 and name C )  1.00  -66.01   6.30   2

!   60 I 	TALOS PHI = -64.35 +/-  3.45  
ASSIGN (resid   59 and name C ) (resid   60 and name N )
       (resid   60 and name CA) (resid   60 and name C )  1.00  -64.35   5.18   2

!   61 D 	TALOS PHI = -64.65 +/-  3.17  
ASSIGN (resid   60 and name C ) (resid   61 and name N )
       (resid   61 and name CA) (resid   61 and name C )  1.00  -64.65   4.75   2

!   62 E 	TALOS PHI = -66.67 +/-  2.72  
ASSIGN (resid   61 and name C ) (resid   62 and name N )
       (resid   62 and name CA) (resid   62 and name C )  1.00  -66.67   4.08   2

!   63 N 	TALOS PHI = -67.23 +/-  3.25  
ASSIGN (resid   62 and name C ) (resid   63 and name N )
       (resid   63 and name CA) (resid   63 and name C )  1.00  -67.23   4.88   2

!   64 K 	TALOS PHI = -62.68 +/-  3.71  
ASSIGN (resid   63 and name C ) (resid   64 and name N )
       (resid   64 and name CA) (resid   64 and name C )  1.00  -62.68   5.56   2

!   65 N 	TALOS PHI = -64.55 +/-  3.18  
ASSIGN (resid   64 and name C ) (resid   65 and name N )
       (resid   65 and name CA) (resid   65 and name C )  1.00  -64.55   4.78   2

!   66 A 	TALOS PHI = -63.75 +/-  3.04  
ASSIGN (resid   65 and name C ) (resid   66 and name N )
       (resid   66 and name CA) (resid   66 and name C )  1.00  -63.75   4.56   2

!   67 L 	TALOS PHI = -66.28 +/-  3.52  
ASSIGN (resid   66 and name C ) (resid   67 and name N )
       (resid   67 and name CA) (resid   67 and name C )  1.00  -66.28   5.29   2

!   68 Q 	TALOS PHI = -68.72 +/-  5.84  
ASSIGN (resid   67 and name C ) (resid   68 and name N )
       (resid   68 and name CA) (resid   68 and name C )  1.00  -68.72   8.76   2

!   69 K 	TALOS PHI = -82.51 +/-  7.29  
ASSIGN (resid   68 and name C ) (resid   69 and name N )
       (resid   69 and name CA) (resid   69 and name C )  1.00  -82.51   10.93   2

!   73 A 	TALOS PHI = -69.77 +/-  6.24  
ASSIGN (resid   72 and name C ) (resid   73 and name N )
       (resid   73 and name CA) (resid   73 and name C )  1.00  -69.77   9.36   2

!   74 D 	TALOS PHI = -85.89 +/-  9.35  
ASSIGN (resid   73 and name C ) (resid   74 and name N )
       (resid   74 and name CA) (resid   74 and name C )  1.00  -85.89   14.03   2

!   81 N 	TALOS PHI = -68.27 +/-  7.94  
ASSIGN (resid   80 and name C ) (resid   81 and name N )
       (resid   81 and name CA) (resid   81 and name C )  1.00  -68.27   11.91   2

!   82 Y 	TALOS PHI = -62.08 +/-  5.86  
ASSIGN (resid   81 and name C ) (resid   82 and name N )
       (resid   82 and name CA) (resid   82 and name C )  1.00  -62.08   8.79   2

!   83 N 	TALOS PHI = -65.05 +/-  4.27  
ASSIGN (resid   82 and name C ) (resid   83 and name N )
       (resid   83 and name CA) (resid   83 and name C )  1.00  -65.05   6.41   2

!   84 Q 	TALOS PHI = -64.55 +/-  3.65  
ASSIGN (resid   83 and name C ) (resid   84 and name N )
       (resid   84 and name CA) (resid   84 and name C )  1.00  -64.55   5.48   2

!   85 R 	TALOS PHI = -68.79 +/-  3.41  
ASSIGN (resid   84 and name C ) (resid   85 and name N )
       (resid   85 and name CA) (resid   85 and name C )  1.00  -68.79   5.12   2

!   86 K 	TALOS PHI = -64.38 +/-  4.11  
ASSIGN (resid   85 and name C ) (resid   86 and name N )
       (resid   86 and name CA) (resid   86 and name C )  1.00  -64.38   6.16   2

!   87 E 	TALOS PHI = -66.13 +/-  3.63  
ASSIGN (resid   86 and name C ) (resid   87 and name N )
       (resid   87 and name CA) (resid   87 and name C )  1.00  -66.13   5.44   2

!   88 E 	TALOS PHI = -65.16 +/-  4.74  
ASSIGN (resid   87 and name C ) (resid   88 and name N )
       (resid   88 and name CA) (resid   88 and name C )  1.00  -65.16   7.11   2

!   89 E 	TALOS PHI = -67.80 +/-  4.04  
ASSIGN (resid   88 and name C ) (resid   89 and name N )
       (resid   89 and name CA) (resid   89 and name C )  1.00  -67.80   6.07   2

!   90 H 	TALOS PHI = -63.15 +/-  3.12  
ASSIGN (resid   89 and name C ) (resid   90 and name N )
       (resid   90 and name CA) (resid   90 and name C )  1.00  -63.15   4.67   2

!   91 T 	TALOS PHI = -63.19 +/-  3.32  
ASSIGN (resid   90 and name C ) (resid   91 and name N )
       (resid   91 and name CA) (resid   91 and name C )  1.00  -63.19   4.98   2

!   92 L 	TALOS PHI = -63.56 +/-  3.75  
ASSIGN (resid   91 and name C ) (resid   92 and name N )
       (resid   92 and name CA) (resid   92 and name C )  1.00  -63.56   5.62   2

!   93 L 	TALOS PHI = -65.08 +/-  3.65  
ASSIGN (resid   92 and name C ) (resid   93 and name N )
       (resid   93 and name CA) (resid   93 and name C )  1.00  -65.08   5.47   2

!   94 D 	TALOS PHI = -66.03 +/-  3.63  
ASSIGN (resid   93 and name C ) (resid   94 and name N )
       (resid   94 and name CA) (resid   94 and name C )  1.00  -66.03   5.44   2

!   95 K 	TALOS PHI = -66.68 +/-  3.88  
ASSIGN (resid   94 and name C ) (resid   95 and name N )
       (resid   95 and name CA) (resid   95 and name C )  1.00  -66.68   5.83   2

!   96 L 	TALOS PHI = -65.83 +/-  2.91  
ASSIGN (resid   95 and name C ) (resid   96 and name N )
       (resid   96 and name CA) (resid   96 and name C )  1.00  -65.83   4.37   2

!   97 T 	TALOS PHI = -63.21 +/-  2.73  
ASSIGN (resid   96 and name C ) (resid   97 and name N )
       (resid   97 and name CA) (resid   97 and name C )  1.00  -63.21   4.09   2

!   98 Q 	TALOS PHI = -64.60 +/-  2.48  
ASSIGN (resid   97 and name C ) (resid   98 and name N )
       (resid   98 and name CA) (resid   98 and name C )  1.00  -64.60   3.72   2

!   99 Q 	TALOS PHI = -64.82 +/-  3.47  
ASSIGN (resid   98 and name C ) (resid   99 and name N )
       (resid   99 and name CA) (resid   99 and name C )  1.00  -64.82   5.20   2

!  100 L 	TALOS PHI = -67.50 +/-  4.03  
ASSIGN (resid   99 and name C ) (resid  100 and name N )
       (resid  100 and name CA) (resid  100 and name C )  1.00  -67.50   6.05   2

!  101 Q 	TALOS PHI = -65.36 +/-  2.54  
ASSIGN (resid  100 and name C ) (resid  101 and name N )
       (resid  101 and name CA) (resid  101 and name C )  1.00  -65.36   3.81   2

!  102 G 	TALOS PHI = -64.92 +/-  4.19  
ASSIGN (resid  101 and name C ) (resid  102 and name N )
       (resid  102 and name CA) (resid  102 and name C )  1.00  -64.92   6.29   2

!  103 L 	TALOS PHI = -65.74 +/-  3.12  
ASSIGN (resid  102 and name C ) (resid  103 and name N )
       (resid  103 and name CA) (resid  103 and name C )  1.00  -65.74   4.67   2

!  104 A 	TALOS PHI = -61.93 +/-  4.66  
ASSIGN (resid  103 and name C ) (resid  104 and name N )
       (resid  104 and name CA) (resid  104 and name C )  1.00  -61.93   6.99   2

!  105 V 	TALOS PHI = -65.98 +/-  2.86  
ASSIGN (resid  104 and name C ) (resid  105 and name N )
       (resid  105 and name CA) (resid  105 and name C )  1.00  -65.98   4.29   2

!  106 T 	TALOS PHI = -68.05 +/-  4.30  
ASSIGN (resid  105 and name C ) (resid  106 and name N )
       (resid  106 and name CA) (resid  106 and name C )  1.00  -68.05   6.45   2

!  107 I 	TALOS PHI = -69.63 +/-  6.26  
ASSIGN (resid  106 and name C ) (resid  107 and name N )
       (resid  107 and name CA) (resid  107 and name C )  1.00  -69.63   9.39   2

!  108 S 	TALOS PHI = -74.16 +/-  7.57  
ASSIGN (resid  107 and name C ) (resid  108 and name N )
       (resid  108 and name CA) (resid  108 and name C )  1.00  -74.16   11.36   2

# Restraints file 4: amb.tbl
assign ( resid 47 and name HG2
	 or resid 47 and name HG3
	 )
       ( resid 44 and name HB3
	 ) 6.0 4.5 4.5 volume=8944144.000 peak=1 ppm1=2.515 ppm2=3.021

assign ( resid 58 and name HB3
	 or resid 58 and name HB2
	 )
       ( resid 54 and name HG2#
	 ) 4.0 2.0 2.0 volume=27474224.000 peak=2 ppm1=2.171 ppm2=0.837

assign ( resid 60 and name HD1#
	 or resid 96 and name HD1#
	 )
       ( resid 25 and name HA
	 or resid 57 and name HA
	 ) 2.4 0.7 0.7 volume=105931320.000 peak=3 ppm1=0.808 ppm2=3.869

assign ( resid 69 and name H
	 )
       ( resid 69 and name HD2
	 or resid 69 and name HD3
	 ) 4.1 2.1 2.1 volume=304487.750 peak=4 ppm1=7.416 ppm2=1.626

assign ( resid 107 and name HD1#
	 or resid 107 and name HG2#
	 )
       ( resid 50 and name HB3
	 ) 4.5 2.5 2.5 volume=17946416.000 peak=5 ppm1=0.950 ppm2=3.264

assign ( resid 64 and name HG2
	 or resid 64 and name HG3
	 )
       ( resid 64 and name HE3
	 or resid 64 and name HE2
	 ) 3.6 1.6 1.6 volume=30517370.000 peak=6 ppm1=1.395 ppm2=2.789

assign ( resid 119 and name H
	 )
       ( resid 118 and name HA
	 or resid 119 and name HA
	 ) 2.7 0.9 0.9 volume=645112.000 peak=7 ppm1=7.772 ppm2=4.469

assign ( resid 21 and name HD22
	 )
       ( resid 18 and name HB3
	 or resid 18 and name HB2
	 ) 5.1 3.3 3.3 volume=62798.500 peak=8 ppm1=9.774 ppm2=1.964

assign ( resid 57 and name H
	 )
       ( resid 57 and name HD3
	 or resid 57 and name HD2
	 ) 4.7 2.8 2.8 volume=156572.750 peak=9 ppm1=8.300 ppm2=1.609

assign ( resid 54 and name HD1#
	 )
       ( resid 57 and name HD2
	 or resid 104 and name HB#
	 ) 4.6 2.6 2.6 volume=17426.625 peak=10 ppm1=0.580 ppm2=1.561

assign ( resid 50 and name HE#
	 )
       ( resid 54 and name HB
	 or resid 107 and name HB
	 ) 4.5 2.8 2.6 volume=23765.875 peak=11 ppm1=6.844 ppm2=2.020

assign ( resid 42 and name HB2
	 or resid 42 and name HB3
	 )
       ( resid 41 and name HB2
	 or resid 41 and name HB3
	 ) 5.8 4.2 4.2 volume=8995634.000 peak=12 ppm1=2.316 ppm2=1.770

assign ( resid 27 and name HE22
	 )
       ( resid 27 and name HB2
	 or resid 27 and name HG3
	 ) 3.9 1.9 1.9 volume=222533.500 peak=13 ppm1=7.255 ppm2=2.423

assign ( resid 86 and name HG2
	 or resid 86 and name HD2
	 )
       ( resid 86 and name HG3
	 ) 2.2 0.6 0.6 volume=102068320.000 peak=14 ppm1=1.325 ppm2=1.161

assign ( resid 33 and name H
	 )
       ( resid 31 and name HB2
	 or resid 32 and name HG
	 ) 3.9 1.9 1.9 volume=212727.375 peak=15 ppm1=8.052 ppm2=1.559

assign ( resid 26 and name H
	 )
       ( resid 26 and name HB2
	 or resid 26 and name HB3
	 ) 2.4 0.7 0.7 volume=666807.375 peak=16 ppm1=7.812 ppm2=2.289

assign ( resid 32 and name HA
	 )
       ( resid 32 and name HB2
	 or resid 32 and name HB3
	 ) 3.2 1.3 1.3 volume=28783650.000 peak=17 ppm1=3.973 ppm2=1.961

assign ( resid 51 and name HB2
	 or resid 51 and name HB3
	 )
       ( resid 48 and name HD2
	 ) 4.6 2.6 2.6 volume=11102128.000 peak=18 ppm1=2.180 ppm2=7.197

assign ( resid 18 and name H
	 )
       ( resid 17 and name HB3
	 or resid 18 and name HG2
	 ) 3.4 1.5 1.5 volume=414943.375 peak=19 ppm1=8.769 ppm2=1.756

assign ( resid 100 and name HB2
	 or resid 100 and name HB3
	 )
       ( resid 100 and name HA
	 ) 2.6 0.8 0.8 volume=38693364.000 peak=20 ppm1=1.922 ppm2=4.138

assign ( resid 103 and name HB3
	 or resid 103 and name HB2
	 )
       ( resid 103 and name HD1#
	 ) 2.2 0.6 0.6 volume=178430624.000 peak=21 ppm1=1.551 ppm2=1.005

assign ( resid 51 and name HE22
	 )
       ( resid 51 and name HB2
	 or resid 51 and name HB3
	 ) 4.1 2.1 2.1 volume=150166.750 peak=22 ppm1=7.556 ppm2=2.178

assign ( resid 83 and name HB2
	 or resid 83 and name HB3
	 )
       ( resid 83 and name HA
	 ) 2.5 0.8 0.8 volume=228880736.000 peak=23 ppm1=2.881 ppm2=4.327

assign ( resid 27 and name H
	 )
       ( resid 24 and name HD1#
	 or resid 56 and name HD1#
	 ) 3.8 1.8 1.8 volume=194335.625 peak=24 ppm1=7.973 ppm2=0.837

assign ( resid 78 and name HA
	 or resid 118 and name HA
	 )
       ( resid 78 and name HB3
	 or resid 118 and name HB3
	 ) 3.0 1.1 1.1 volume=66869520.000 peak=25 ppm1=4.473 ppm2=2.263

assign ( resid 78 and name HA
	 or resid 118 and name HA
	 )
       ( resid 78 and name HD3
	 or resid 118 and name HD3
	 ) 4.5 2.6 2.6 volume=17999228.000 peak=26 ppm1=4.473 ppm2=3.812

assign ( resid 72 and name HE2
	 or resid 72 and name HE3
	 )
       ( resid 72 and name HG2
	 ) 2.9 1.0 1.0 volume=25897788.000 peak=27 ppm1=2.936 ppm2=1.101

assign ( resid 72 and name HE2
	 or resid 72 and name HE3
	 )
       ( resid 72 and name HB3
	 ) 5.6 4.0 4.0 volume=11705746.000 peak=28 ppm1=2.930 ppm2=1.584

assign ( resid 13 and name HD2
	 or resid 13 and name HD3
	 )
       ( resid 12 and name HA
	 ) 2.9 1.1 1.1 volume=32475.000 peak=29 ppm1=3.800 ppm2=5.028

assign ( resid 77 and name H
	 )
       ( resid 76 and name HB2
	 or resid 76 and name HB3
	 ) 3.2 1.3 1.3 volume=115046.750 peak=30 ppm1=8.193 ppm2=3.954

assign ( resid 78 and name HD2
	 or resid 118 and name HD2
	 )
       ( resid 78 and name HB3
	 or resid 118 and name HB3
	 ) 5.0 3.2 3.2 volume=9483344.000 peak=31 ppm1=3.660 ppm2=2.263

assign ( resid 21 and name H
	 )
       ( resid 20 and name HG3
	 or resid 20 and name HG2
	 ) 4.1 2.2 2.2 volume=121319.125 peak=32 ppm1=9.050 ppm2=1.785

assign ( resid 78 and name HA
	 or resid 118 and name HA
	 )
       ( resid 78 and name HD2
	 or resid 118 and name HD2
	 ) 4.2 2.2 2.2 volume=26574790.000 peak=33 ppm1=4.472 ppm2=3.663

assign ( resid 86 and name H
	 )
       ( resid 86 and name HD3
	 or resid 86 and name HG2
	 ) 4.1 2.1 2.1 volume=298358.750 peak=34 ppm1=8.237 ppm2=1.331

assign ( resid 43 and name HB3
	 or resid 43 and name HB2
	 )
       ( resid 43 and name HA
	 ) 2.5 0.8 0.8 volume=135761504.000 peak=35 ppm1=2.414 ppm2=4.159

assign ( resid 17 and name HB2
	 or resid 17 and name HB3
	 )
       ( resid 17 and name HA
	 ) 2.6 0.8 0.8 volume=152114640.000 peak=36 ppm1=1.750 ppm2=4.048

assign ( resid 43 and name HB3
	 or resid 43 and name HB2
	 )
       ( resid 43 and name HD3
	 ) 4.4 2.4 2.4 volume=15846717.000 peak=37 ppm1=2.394 ppm2=3.985

assign ( resid 87 and name H
	 )
       ( resid 87 and name HB3
	 or resid 87 and name HB2
	 ) 2.4 0.7 0.7 volume=690645.250 peak=38 ppm1=8.044 ppm2=2.174

assign ( resid 104 and name H
	 )
       ( resid 103 and name HB3
	 or resid 104 and name HB#
	 ) 2.3 0.6 0.6 volume=943049.625 peak=39 ppm1=8.533 ppm2=1.554

assign ( resid 48 and name H
	 )
       ( resid 47 and name HB2
	 or resid 47 and name HB3
	 ) 2.7 0.9 0.9 volume=404783.250 peak=40 ppm1=7.802 ppm2=2.184

assign ( resid 13 and name HD2
	 or resid 13 and name HD3
	 )
       ( resid 13 and name HA
	 ) 3.9 1.9 1.9 volume=30799402.000 peak=41 ppm1=3.796 ppm2=4.353

assign ( resid 51 and name HA
	 )
       ( resid 51 and name HB2
	 or resid 51 and name HB3
	 ) 3.1 1.2 1.2 volume=63309808.000 peak=42 ppm1=3.857 ppm2=2.171

assign ( resid 47 and name H
	 )
       ( resid 46 and name HB3
	 or resid 46 and name HB2
	 ) 2.9 1.0 1.0 volume=205481.625 peak=43 ppm1=8.068 ppm2=1.926

assign ( resid 88 and name H
	 )
       ( resid 88 and name HG2
	 or resid 88 and name HG3
	 ) 2.8 1.0 1.0 volume=325326.000 peak=44 ppm1=8.257 ppm2=2.561

assign ( resid 25 and name HD3
	 or resid 25 and name HD2
	 )
       ( resid 96 and name HD1#
	 ) 3.0 1.1 1.1 volume=67274240.000 peak=45 ppm1=2.209 ppm2=0.779

assign ( resid 51 and name HA
	 or resid 108 and name HB2
	 )
       ( resid 50 and name HE#
	 ) 4.0 2.0 2.0 volume=28354688.000 peak=46 ppm1=3.873 ppm2=6.839

assign ( resid 72 and name HE2
	 or resid 72 and name HE3
	 )
       ( resid 72 and name HD2
	 or resid 72 and name HD3
	 ) 2.1 0.5 0.5 volume=129684848.000 peak=47 ppm1=2.946 ppm2=1.582

assign ( resid 77 and name H
	 )
       ( resid 75 and name HB3
	 or resid 75 and name HB2
	 ) 6.1 4.7 4.7 volume=70358.000 peak=48 ppm1=8.194 ppm2=2.011

assign ( resid 85 and name HD2
	 or resid 85 and name HD3
	 )
       ( resid 14 and name HD1#
	 ) 3.8 1.8 1.8 volume=27974868.000 peak=49 ppm1=3.150 ppm2=0.637

assign ( resid 34 and name H
	 or resid 114 and name H
	 )
       ( resid 31 and name HA
	 or resid 113 and name HB
	 ) 2.9 1.1 1.1 volume=433876.625 peak=50 ppm1=8.385 ppm2=4.206

assign ( resid 41 and name H
	 )
       ( resid 39 and name HB2
	 or resid 39 and name HB3
	 or resid 45 and name HB3
	 ) 4.4 2.5 2.5 volume=88065.500 peak=51 ppm1=7.528 ppm2=2.071

assign ( resid 64 and name H
	 )
       ( resid 64 and name HG2
	 or resid 64 and name HG3
	 ) 4.6 2.6 2.6 volume=110136.625 peak=52 ppm1=9.023 ppm2=1.371

assign ( resid 109 and name H
	 )
       ( resid 107 and name H
	 or resid 110 and name H
	 ) 3.2 1.3 1.3 volume=309897.125 peak=53 ppm1=7.863 ppm2=8.227

assign ( resid 94 and name H
	 )
       ( resid 91 and name HA
	 or resid 93 and name HA
	 ) 3.3 1.4 1.4 volume=200696.750 peak=54 ppm1=8.411 ppm2=3.958

assign ( resid 63 and name H
	 )
       ( resid 62 and name HB2
	 or resid 62 and name HG3
	 ) 3.8 1.8 1.8 volume=220535.125 peak=55 ppm1=8.177 ppm2=2.266

assign ( resid 102 and name H
	 )
       ( resid 99 and name HA
	 or resid 101 and name HA
	 ) 3.2 1.3 1.3 volume=211742.625 peak=56 ppm1=8.008 ppm2=4.103

assign ( resid 61 and name HB2
	 or resid 65 and name HB2
	 )
       ( resid 58 and name HA
	 or resid 62 and name HA
	 ) 2.6 0.9 0.9 volume=145416288.000 peak=57 ppm1=2.849 ppm2=4.160

assign ( resid 49 and name H
	 )
       ( resid 49 and name HG2#
	 or resid 49 and name HD1#
	 ) 3.4 1.4 1.4 volume=336190.625 peak=58 ppm1=8.385 ppm2=0.875

assign ( resid 45 and name HB2
	 or resid 45 and name HB3
	 )
       ( resid 45 and name HG2
	 or resid 45 and name HG3
	 ) 2.5 0.8 0.8 volume=100647072.000 peak=59 ppm1=2.050 ppm2=1.462

assign ( resid 24 and name HD2#
	 )
       ( resid 24 and name HB3
	 or resid 24 and name HB2
	 ) 2.3 0.7 0.7 volume=133515600.000 peak=60 ppm1=0.850 ppm2=1.956

assign ( resid 47 and name HG2
	 or resid 47 and name HG3
	 )
       ( resid 44 and name HA
	 ) 3.9 1.9 1.9 volume=37911.500 peak=61 ppm1=2.515 ppm2=4.525

assign ( resid 52 and name HE
	 )
       ( resid 52 and name HB2
	 or resid 52 and name HB3
	 ) 4.7 2.7 2.7 volume=62649.875 peak=62 ppm1=7.178 ppm2=1.895

assign ( resid 92 and name H
	 )
       ( resid 92 and name HB2
	 or resid 92 and name HB3
	 ) 2.6 0.9 0.9 volume=329448.625 peak=63 ppm1=7.741 ppm2=1.725

assign ( resid 31 and name HD2#
	 or resid 49 and name HD1#
	 )
       ( resid 34 and name HB2
	 ) 3.3 1.4 1.4 volume=29919668.000 peak=64 ppm1=0.861 ppm2=2.275

assign ( resid 86 and name HD3
	 or resid 86 and name HG2
	 or resid 86 and name HD2
	 )
       ( resid 82 and name HE#
	 ) 4.7 2.8 2.8 volume=13490431.000 peak=65 ppm1=1.340 ppm2=6.794

assign ( resid 52 and name HE
	 )
       ( resid 56 and name HD2#
	 or resid 56 and name HD1#
	 ) 4.5 2.6 2.6 volume=47175.250 peak=66 ppm1=7.170 ppm2=0.820

assign ( resid 18 and name HD3
	 or resid 18 and name HD2
	 )
       ( resid 18 and name HA
	 ) 5.0 3.1 3.1 volume=25356050.000 peak=67 ppm1=3.139 ppm2=4.082

assign ( resid 105 and name H
	 or resid 108 and name H
	 )
       ( resid 105 and name HA
	 ) 2.5 0.8 0.8 volume=692994.625 peak=68 ppm1=7.949 ppm2=3.900

assign ( resid 72 and name HE2
	 or resid 72 and name HE3
	 )
       ( resid 72 and name HB2
	 ) 5.7 4.1 4.1 volume=13916272.000 peak=69 ppm1=2.935 ppm2=1.514

assign ( resid 13 and name HB2
	 or resid 13 and name HB3
	 )
       ( resid 16 and name HB#
	 ) 4.0 2.0 2.0 volume=36949584.000 peak=70 ppm1=2.359 ppm2=1.481

assign ( resid 70 and name H
	 )
       ( resid 69 and name HB2
	 or resid 70 and name HB2
	 ) 2.5 0.8 0.8 volume=580112.625 peak=71 ppm1=7.341 ppm2=1.845

assign ( resid 33 and name H
	 )
       ( resid 30 and name HA
	 or resid 33 and name HA
	 ) 2.7 0.9 0.9 volume=493981.250 peak=72 ppm1=8.052 ppm2=4.234

assign ( resid 38 and name HA
	 )
       ( resid 38 and name HD3
	 or resid 38 and name HD2
	 ) 4.5 2.5 2.5 volume=66020572.000 peak=73 ppm1=4.087 ppm2=1.724

assign ( resid 46 and name HD3
	 or resid 50 and name HB3
	 )
       ( resid 107 and name HB
	 ) 4.8 2.8 2.8 volume=14690459.000 peak=74 ppm1=3.249 ppm2=2.024

assign ( resid 53 and name H
	 )
       ( resid 51 and name HB2
	 or resid 51 and name HB3
	 ) 4.2 2.2 2.2 volume=169445.000 peak=75 ppm1=8.424 ppm2=2.172

assign ( resid 45 and name HG2
	 or resid 45 and name HG3
	 )
       ( resid 42 and name HG3
	 ) 5.8 4.3 4.2 volume=11918641.000 peak=76 ppm1=1.470 ppm2=2.527

assign ( resid 23 and name H
	 )
       ( resid 23 and name HG2
	 or resid 23 and name HG3
	 ) 3.2 1.3 1.3 volume=316535.750 peak=77 ppm1=7.737 ppm2=2.483

assign ( resid 45 and name H
	 )
       ( resid 45 and name HB2
	 or resid 45 and name HB3
	 ) 2.3 0.7 0.7 volume=613013.375 peak=78 ppm1=7.748 ppm2=2.057

assign ( resid 85 and name H
	 )
       ( resid 85 and name HB3
	 or resid 85 and name HB2
	 ) 2.7 0.9 0.9 volume=366217.125 peak=79 ppm1=8.100 ppm2=2.152

assign ( resid 86 and name HD3
	 or resid 86 and name HG2
	 or resid 86 and name HD2
	 )
       ( resid 86 and name HE3
	 ) 3.0 1.2 1.2 volume=38296064.000 peak=80 ppm1=1.326 ppm2=3.046

assign ( resid 90 and name H
	 )
       ( resid 87 and name HA
	 or resid 89 and name HA
	 ) 3.2 1.3 1.3 volume=212296.875 peak=81 ppm1=8.322 ppm2=4.214

assign ( resid 90 and name H
	 )
       ( resid 87 and name HB3
	 or resid 87 and name HB2
	 ) 4.0 2.0 2.0 volume=190393.625 peak=82 ppm1=8.323 ppm2=2.156

assign ( resid 26 and name H
	 )
       ( resid 25 and name HD3
	 or resid 25 and name HD2
	 ) 4.2 2.2 2.2 volume=232475.000 peak=83 ppm1=7.811 ppm2=2.150

assign ( resid 47 and name H
	 )
       ( resid 47 and name HG2
	 or resid 47 and name HG3
	 ) 3.5 1.5 1.5 volume=225648.125 peak=84 ppm1=8.069 ppm2=2.501

assign ( resid 107 and name HD1#
	 or resid 107 and name HG2#
	 )
       ( resid 50 and name HB2
	 ) 3.3 1.3 1.3 volume=16913900.000 peak=85 ppm1=0.953 ppm2=3.133

assign ( resid 72 and name HE2
	 or resid 72 and name HE3
	 )
       ( resid 72 and name HA
	 ) 5.5 4.4 3.8 volume=7753512.500 peak=86 ppm1=2.931 ppm2=3.659

assign ( resid 85 and name HB3
	 or resid 85 and name HB2
	 )
       ( resid 86 and name HA
	 ) 3.8 1.8 1.8 volume=31553378.000 peak=87 ppm1=2.154 ppm2=3.693

assign ( resid 18 and name H
	 )
       ( resid 17 and name H
	 or resid 19 and name H
	 ) 2.7 0.9 0.9 volume=348497.375 peak=88 ppm1=8.768 ppm2=7.927

assign ( resid 50 and name HE#
	 )
       ( resid 50 and name HA
	 or resid 104 and name HA
	 ) 4.2 2.3 2.2 volume=34396.000 peak=89 ppm1=6.840 ppm2=4.050

assign ( resid 68 and name H
	 )
       ( resid 67 and name HD1#
	 or resid 67 and name HD2#
	 ) 4.2 2.2 2.2 volume=99760.625 peak=90 ppm1=7.748 ppm2=0.750

assign ( resid 54 and name H
	 )
       ( resid 51 and name HB2
	 or resid 51 and name HB3
	 ) 4.6 2.6 2.6 volume=88507.875 peak=91 ppm1=7.615 ppm2=2.161

assign ( resid 69 and name HB3
	 or resid 107 and name HB
	 )
       ( resid 66 and name HA
	 or resid 104 and name HA
	 ) 3.0 1.1 1.1 volume=54717216.000 peak=92 ppm1=2.022 ppm2=4.062

assign ( resid 55 and name H
	 )
       ( resid 56 and name HG
	 or resid 56 and name HB2
	 ) 4.5 2.5 2.5 volume=91666.750 peak=93 ppm1=7.978 ppm2=1.213

assign ( resid 13 and name HA
	 )
       ( resid 13 and name HG2
	 or resid 13 and name HG3
	 ) 3.3 1.3 1.3 volume=132283608.000 peak=94 ppm1=4.344 ppm2=2.058

assign ( resid 24 and name HD2#
	 )
       ( resid 60 and name HG13
	 or resid 60 and name HG12
	 ) 2.8 1.0 1.0 volume=50696336.000 peak=95 ppm1=0.862 ppm2=1.174

assign ( resid 17 and name H
	 )
       ( resid 17 and name HD2#
	 or resid 17 and name HD1#
	 ) 3.6 1.7 1.7 volume=241530.125 peak=96 ppm1=7.923 ppm2=0.889

assign ( resid 32 and name H
	 )
       ( resid 32 and name HD1#
	 or resid 32 and name HD2#
	 ) 3.0 1.1 1.1 volume=303670.000 peak=97 ppm1=8.737 ppm2=0.868

assign ( resid 92 and name H
	 )
       ( resid 89 and name HA
	 or resid 92 and name HA
	 ) 2.7 0.9 0.9 volume=431844.000 peak=98 ppm1=7.740 ppm2=4.215

assign ( resid 51 and name H
	 )
       ( resid 47 and name HB2
	 or resid 47 and name HB3
	 ) 3.5 1.5 2.5 volume=355639.625 peak=99 ppm1=8.338 ppm2=2.250

assign ( resid 9 and name H
	 )
       ( resid 9 and name HB3
	 or resid 9 and name HB2
	 ) 2.5 0.8 0.8 volume=633088.875 peak=100 ppm1=8.316 ppm2=1.815

assign ( resid 115 and name HG2#
	 or resid 115 and name HG1#
	 )
       ( resid 116 and name HA3
	 or resid 116 and name HA2
	 ) 4.6 2.7 2.7 volume=16403982.000 peak=101 ppm1=0.937 ppm2=3.937

assign ( resid 78 and name HD3
	 or resid 118 and name HD3
	 )
       ( resid 78 and name HD2
	 or resid 118 and name HD2
	 ) 1.4 0.2 0.2 volume=961550976.000 peak=102 ppm1=3.807 ppm2=3.657

assign ( resid 66 and name HB#
	 or resid 104 and name HB#
	 )
       ( resid 66 and name HA
	 or resid 104 and name HA
	 ) 1.9 0.4 0.4 volume=413014080.000 peak=103 ppm1=1.561 ppm2=4.062

assign ( resid 54 and name HA
	 )
       ( resid 57 and name HG2
	 or resid 57 and name HG3
	 ) 5.3 3.6 3.5 volume=16925848.000 peak=104 ppm1=3.604 ppm2=1.454

assign ( resid 6 and name HA
	 )
       ( resid 6 and name HB2
	 or resid 6 and name HB3
	 ) 2.7 0.9 0.9 volume=91938416.000 peak=105 ppm1=4.296 ppm2=1.589

assign ( resid 39 and name H
	 )
       ( resid 37 and name HB3
	 or resid 38 and name HB3
	 or resid 38 and name HB2
	 ) 2.6 0.8 0.8 volume=502785.250 peak=106 ppm1=8.796 ppm2=1.888

assign ( resid 50 and name HA
	 or resid 55 and name HA
	 )
       ( resid 54 and name HD1#
	 ) 4.4 2.5 2.5 volume=16773072.000 peak=107 ppm1=4.058 ppm2=0.584

assign ( resid 25 and name H
	 or resid 60 and name H
	 )
       ( resid 60 and name HD1#
	 or resid 96 and name HD1#
	 ) 3.1 1.2 1.2 volume=461961.000 peak=108 ppm1=8.505 ppm2=0.800

assign ( resid 53 and name H
	 )
       ( resid 52 and name HB2
	 or resid 52 and name HB3
	 ) 2.8 1.0 1.0 volume=281774.000 peak=109 ppm1=8.425 ppm2=1.908

assign ( resid 20 and name HE
	 )
       ( resid 20 and name HG3
	 or resid 20 and name HG2
	 ) 3.1 1.2 1.2 volume=116066.375 peak=110 ppm1=7.317 ppm2=1.805

assign ( resid 68 and name H
	 )
       ( resid 67 and name HB3
	 or resid 67 and name HG
	 ) 3.5 1.5 1.5 volume=226436.625 peak=111 ppm1=7.747 ppm2=1.613

assign ( resid 13 and name HG2
	 or resid 13 and name HG3
	 )
       ( resid 13 and name HB2
	 or resid 13 and name HB3
	 ) 2.8 1.0 1.0 volume=78186680.000 peak=112 ppm1=2.051 ppm2=2.348

assign ( resid 85 and name H
	 )
       ( resid 84 and name HA
	 or resid 85 and name HA
	 ) 2.9 1.0 1.0 volume=302922.375 peak=113 ppm1=8.098 ppm2=4.116

assign ( resid 52 and name HB2
	 or resid 52 and name HB3
	 )
       ( resid 48 and name HD2
	 ) 4.4 2.4 2.4 volume=18799424.000 peak=114 ppm1=1.880 ppm2=7.197

assign ( resid 50 and name HD#
	 )
       ( resid 47 and name HG2
	 or resid 47 and name HG3
	 ) 5.3 3.8 3.5 volume=16580109.000 peak=115 ppm1=7.071 ppm2=2.534

assign ( resid 86 and name HB3
	 or resid 86 and name HB2
	 )
       ( resid 82 and name HE#
	 ) 3.8 1.8 1.8 volume=48975964.000 peak=116 ppm1=1.725 ppm2=6.793

assign ( resid 51 and name H
	 )
       ( resid 51 and name HB2
	 or resid 51 and name HB3
	 ) 2.7 0.9 0.9 volume=307008.625 peak=117 ppm1=8.336 ppm2=2.170

assign ( resid 88 and name H
	 )
       ( resid 87 and name HB3
	 or resid 87 and name HB2
	 ) 2.7 0.9 0.9 volume=395643.875 peak=118 ppm1=8.256 ppm2=2.163

assign ( resid 50 and name HE#
	 )
       ( resid 47 and name HG2
	 or resid 47 and name HG3
	 ) 4.9 3.0 3.0 volume=4366131.000 peak=119 ppm1=6.849 ppm2=2.504

assign ( resid 16 and name HB#
	 )
       ( resid 19 and name HB2
	 or resid 19 and name HB3
	 ) 3.6 1.7 1.7 volume=42858360.000 peak=120 ppm1=1.466 ppm2=1.997

assign ( resid 30 and name HB3
	 or resid 30 and name HB2
	 or resid 33 and name HB3
	 )
       ( resid 30 and name HA
	 ) 2.4 0.7 0.7 volume=349339808.000 peak=121 ppm1=4.013 ppm2=4.278

assign ( resid 92 and name H
	 )
       ( resid 90 and name H
	 or resid 94 and name H
	 ) 4.1 2.1 2.1 volume=65683.000 peak=122 ppm1=7.739 ppm2=8.368

assign ( resid 14 and name HD2#
	 or resid 67 and name HD1#
	 )
       ( resid 86 and name HE3
	 ) 3.3 1.4 1.4 volume=41241352.000 peak=123 ppm1=0.751 ppm2=3.048

assign ( resid 24 and name HD1#
	 or resid 60 and name HD1#
	 )
       ( resid 60 and name HA
	 ) 3.2 1.3 1.3 volume=87317400.000 peak=124 ppm1=0.806 ppm2=3.469

assign ( resid 57 and name H
	 )
       ( resid 56 and name HD2#
	 or resid 56 and name HD1#
	 ) 3.6 1.6 1.6 volume=292500.500 peak=125 ppm1=8.300 ppm2=0.869

assign ( resid 13 and name HB2
	 or resid 13 and name HB3
	 )
       ( resid 13 and name HA
	 ) 2.7 0.9 0.9 volume=134370096.000 peak=126 ppm1=2.354 ppm2=4.353

assign ( resid 38 and name HA
	 )
       ( resid 38 and name HG2
	 or resid 38 and name HG3
	 ) 2.6 0.9 0.9 volume=169237824.000 peak=127 ppm1=4.084 ppm2=1.513

assign ( resid 57 and name HD3
	 or resid 57 and name HD2
	 )
       ( resid 97 and name HG2#
	 ) 3.6 1.6 1.6 volume=30191076.000 peak=128 ppm1=1.597 ppm2=1.236

assign ( resid 19 and name H
	 )
       ( resid 16 and name HA
	 or resid 19 and name HA
	 ) 2.6 0.9 0.9 volume=477012.750 peak=129 ppm1=7.923 ppm2=4.104

assign ( resid 85 and name H
	 )
       ( resid 85 and name HD2
	 or resid 85 and name HD3
	 ) 4.9 3.0 3.0 volume=70254.500 peak=130 ppm1=8.097 ppm2=3.142

assign ( resid 43 and name HB3
	 or resid 43 and name HB2
	 )
       ( resid 43 and name HD2
	 ) 4.5 2.6 2.6 volume=20103732.000 peak=131 ppm1=2.397 ppm2=3.901

assign ( resid 18 and name H
	 )
       ( resid 18 and name HB3
	 or resid 18 and name HB2
	 ) 2.6 0.8 0.8 volume=389721.000 peak=132 ppm1=8.768 ppm2=1.987

assign ( resid 21 and name H
	 )
       ( resid 20 and name H
	 or resid 22 and name H
	 ) 2.6 0.8 0.8 volume=388371.625 peak=133 ppm1=9.049 ppm2=7.947

assign ( resid 42 and name HB2
	 )
       ( resid 45 and name HG2
	 or resid 45 and name HG3
	 ) 4.9 3.0 3.0 volume=18948768.000 peak=134 ppm1=2.297 ppm2=1.464

assign ( resid 90 and name H
	 )
       ( resid 92 and name HB2
	 or resid 92 and name HB3
	 ) 4.0 2.0 2.0 volume=148905.875 peak=135 ppm1=8.320 ppm2=1.718

assign ( resid 31 and name H
	 )
       ( resid 31 and name HD2#
	 or resid 56 and name HD1#
	 ) 3.5 1.5 1.5 volume=247050.125 peak=136 ppm1=7.943 ppm2=0.844

assign ( resid 57 and name HD3
	 or resid 57 and name HD2
	 )
       ( resid 54 and name HA
	 ) 3.9 1.9 1.9 volume=32251930.000 peak=137 ppm1=1.608 ppm2=3.597

assign ( resid 59 and name H
	 )
       ( resid 56 and name HA
	 or resid 59 and name HA
	 ) 2.5 0.8 0.8 volume=538290.125 peak=138 ppm1=7.634 ppm2=4.182

assign ( resid 17 and name HD2#
	 or resid 17 and name HD1#
	 )
       ( resid 17 and name HB2
	 or resid 17 and name HB3
	 ) 2.4 0.7 0.7 volume=145350736.000 peak=139 ppm1=0.898 ppm2=1.762

assign ( resid 42 and name HA
	 or resid 44 and name HA
	 )
       ( resid 43 and name HA
	 ) 4.2 2.2 2.2 volume=25474088.000 peak=140 ppm1=4.524 ppm2=4.159

assign ( resid 93 and name HB2
	 or resid 93 and name HB3
	 )
       ( resid 93 and name HA
	 ) 3.4 1.4 1.4 volume=8511618.000 peak=141 ppm1=1.282 ppm2=3.967

assign ( resid 51 and name HB2
	 or resid 51 and name HB3
	 )
       ( resid 50 and name HA
	 ) 5.2 3.4 3.4 volume=17814914.000 peak=142 ppm1=2.154 ppm2=4.021

assign ( resid 60 and name HB
	 or resid 64 and name HB2
	 )
       ( resid 61 and name HB3
	 ) 5.8 4.2 4.2 volume=9040519.000 peak=143 ppm1=1.983 ppm2=2.639

assign ( resid 17 and name HD2#
	 or resid 17 and name HD1#
	 )
       ( resid 17 and name HG
	 ) 1.8 0.4 0.4 volume=195167888.000 peak=144 ppm1=0.888 ppm2=1.722

assign ( resid 37 and name HB2
	 or resid 37 and name HB3
	 )
       ( resid 37 and name HA
	 ) 2.3 0.7 0.7 volume=188693632.000 peak=145 ppm1=1.911 ppm2=4.431

assign ( resid 48 and name HA
	 )
       ( resid 47 and name HB2
	 or resid 47 and name HB3
	 ) 3.7 1.7 1.7 volume=50976244.000 peak=146 ppm1=4.521 ppm2=2.216

# Restraints file 5: unam.tbl
assign ( resid 61 and name H
	 )
       ( resid 61 and name HA
	 ) 3.0 1.1 1.1 volume=243958.000 peak=1 ppm1=8.377 ppm2=4.348

assign ( resid 97 and name H
	 )
       ( resid 97 and name HG2#
	 ) 3.9 1.9 1.9 volume=149825.125 peak=2 ppm1=8.157 ppm2=1.238

assign ( resid 97 and name H
	 )
       ( resid 97 and name HA
	 ) 3.1 1.2 1.2 volume=190940.750 peak=3 ppm1=8.158 ppm2=3.681

assign ( resid 97 and name H
	 )
       ( resid 97 and name HB
	 ) 2.8 1.0 1.0 volume=262673.375 peak=4 ppm1=8.158 ppm2=4.527

assign ( resid 117 and name H
	 )
       ( resid 117 and name HA
	 ) 3.1 1.2 1.2 volume=205692.625 peak=5 ppm1=8.082 ppm2=4.628

assign ( resid 117 and name H
	 )
       ( resid 117 and name HB#
	 ) 2.4 0.7 0.7 volume=552816.500 peak=6 ppm1=8.083 ppm2=1.367

assign ( resid 116 and name H
	 )
       ( resid 116 and name HA3
	 or resid 116 and name HA2
	 ) 2.5 0.8 0.8 volume=966208.375 peak=7 ppm1=8.481 ppm2=3.935

assign ( resid 114 and name H
	 )
       ( resid 114 and name HA
	 ) 2.3 0.7 0.7 volume=1165650.125 peak=8 ppm1=8.389 ppm2=4.335

assign ( resid 113 and name H
	 )
       ( resid 113 and name HG2#
	 ) 3.2 1.3 1.3 volume=337990.750 peak=9 ppm1=8.228 ppm2=1.189

assign ( resid 112 and name H
	 )
       ( resid 112 and name HA
	 ) 2.5 0.8 0.8 volume=530668.375 peak=10 ppm1=8.099 ppm2=4.239

assign ( resid 112 and name H
	 )
       ( resid 112 and name HG12
	 ) 3.7 1.7 1.7 volume=318679.250 peak=11 ppm1=8.099 ppm2=1.443

assign ( resid 112 and name H
	 )
       ( resid 112 and name HG13
	 ) 2.3 0.6 0.6 volume=414325.625 peak=12 ppm1=8.099 ppm2=1.170

assign ( resid 112 and name H
	 )
       ( resid 112 and name HG2#
	 ) 3.5 1.5 1.5 volume=375444.000 peak=13 ppm1=8.099 ppm2=0.886

assign ( resid 111 and name H
	 )
       ( resid 111 and name HA
	 ) 2.6 0.9 0.9 volume=535969.750 peak=14 ppm1=8.362 ppm2=4.699

assign ( resid 109 and name H
	 )
       ( resid 109 and name HA
	 ) 2.2 0.6 0.6 volume=831455.750 peak=15 ppm1=7.863 ppm2=4.270

assign ( resid 109 and name H
	 )
       ( resid 109 and name HD3
	 ) 5.4 3.7 3.7 volume=84393.750 peak=16 ppm1=7.864 ppm2=3.177

assign ( resid 109 and name H
	 )
       ( resid 109 and name HG2
	 or resid 109 and name HG3
	 ) 3.1 1.2 1.2 volume=297357.750 peak=17 ppm1=7.864 ppm2=1.702

assign ( resid 109 and name H
	 )
       ( resid 109 and name HB3
	 or resid 109 and name HB2
	 ) 2.8 1.0 1.0 volume=509320.125 peak=18 ppm1=7.863 ppm2=1.875

assign ( resid 108 and name H
	 )
       ( resid 108 and name HA
	 ) 2.9 1.1 1.1 volume=374193.750 peak=19 ppm1=7.939 ppm2=4.271

assign ( resid 107 and name H
	 )
       ( resid 107 and name HA
	 ) 2.6 0.8 0.8 volume=404442.875 peak=20 ppm1=8.236 ppm2=4.105

assign ( resid 93 and name H
	 )
       ( resid 92 and name HD1#
	 or resid 92 and name HD2#
	 ) 3.4 1.4 1.4 volume=306309.375 peak=21 ppm1=8.207 ppm2=0.955

assign ( resid 107 and name H
	 )
       ( resid 107 and name HB
	 ) 2.4 0.7 0.7 volume=390292.500 peak=22 ppm1=8.234 ppm2=2.009

assign ( resid 106 and name H
	 )
       ( resid 106 and name HB
	 ) 2.6 0.8 0.8 volume=390759.500 peak=23 ppm1=7.902 ppm2=4.407

assign ( resid 106 and name H
	 )
       ( resid 106 and name HA
	 ) 2.7 0.9 0.9 volume=504415.875 peak=24 ppm1=7.903 ppm2=4.061

assign ( resid 106 and name H
	 )
       ( resid 106 and name HG2#
	 ) 3.6 1.6 1.6 volume=284632.625 peak=25 ppm1=7.904 ppm2=1.300

assign ( resid 105 and name H
	 )
       ( resid 105 and name HG1#
	 ) 2.4 0.7 0.7 volume=571200.750 peak=26 ppm1=7.960 ppm2=1.125

assign ( resid 105 and name H
	 )
       ( resid 105 and name HB
	 ) 2.4 0.7 0.7 volume=513623.250 peak=27 ppm1=7.960 ppm2=2.259

assign ( resid 102 and name H
	 )
       ( resid 102 and name HA3
	 or resid 102 and name HA2
	 ) 2.4 0.7 0.7 volume=844024.750 peak=29 ppm1=8.004 ppm2=3.911

assign ( resid 101 and name H
	 )
       ( resid 101 and name HB3
	 ) 2.5 0.8 0.8 volume=485030.250 peak=30 ppm1=8.560 ppm2=2.077

assign ( resid 101 and name H
	 )
       ( resid 101 and name HB2
	 ) 2.4 0.7 0.7 volume=469342.625 peak=31 ppm1=8.564 ppm2=2.229

assign ( resid 101 and name H
	 )
       ( resid 101 and name HG3
	 or resid 101 and name HG2
	 ) 4.3 2.4 2.4 volume=207266.375 peak=32 ppm1=8.565 ppm2=2.456

assign ( resid 101 and name H
	 )
       ( resid 101 and name HA
	 ) 2.6 0.8 0.8 volume=573645.875 peak=33 ppm1=8.564 ppm2=4.117

assign ( resid 100 and name H
	 )
       ( resid 100 and name HD1#
	 or resid 100 and name HD2#
	 ) 2.9 1.0 1.0 volume=261937.625 peak=34 ppm1=8.294 ppm2=0.920

assign ( resid 100 and name H
	 )
       ( resid 100 and name HA
	 ) 2.7 0.9 0.9 volume=299365.000 peak=35 ppm1=8.293 ppm2=4.118

assign ( resid 100 and name H
	 )
       ( resid 100 and name HB3
	 ) 2.3 0.7 0.7 volume=663571.375 peak=36 ppm1=8.293 ppm2=1.905

assign ( resid 98 and name H
	 )
       ( resid 98 and name HA
	 ) 2.5 0.8 0.8 volume=727650.625 peak=37 ppm1=7.922 ppm2=4.086

assign ( resid 98 and name H
	 )
       ( resid 98 and name HB2
	 or resid 98 and name HB3
	 ) 2.4 0.7 0.7 volume=652346.125 peak=38 ppm1=7.921 ppm2=2.254

assign ( resid 98 and name H
	 )
       ( resid 98 and name HG3
	 or resid 98 and name HG2
	 ) 3.5 1.6 1.6 volume=186953.750 peak=39 ppm1=7.921 ppm2=2.555

assign ( resid 95 and name H
	 )
       ( resid 95 and name HA
	 ) 2.7 0.9 0.9 volume=377567.000 peak=40 ppm1=8.194 ppm2=4.116

assign ( resid 63 and name H
	 )
       ( resid 63 and name HA
	 ) 2.8 1.0 1.0 volume=334270.875 peak=41 ppm1=8.173 ppm2=4.501

assign ( resid 95 and name H
	 )
       ( resid 95 and name HB2
	 ) 2.4 0.7 0.7 volume=525717.125 peak=42 ppm1=8.195 ppm2=2.076

assign ( resid 94 and name H
	 )
       ( resid 94 and name HB3
	 ) 2.9 1.1 1.1 volume=262976.250 peak=43 ppm1=8.410 ppm2=2.662

assign ( resid 94 and name H
	 )
       ( resid 94 and name HB2
	 ) 2.8 1.0 1.0 volume=334680.250 peak=44 ppm1=8.410 ppm2=2.774

assign ( resid 94 and name H
	 )
       ( resid 94 and name HA
	 ) 3.2 1.2 1.2 volume=230886.125 peak=45 ppm1=8.410 ppm2=4.450

assign ( resid 88 and name H
	 )
       ( resid 88 and name HA
	 ) 2.7 0.9 0.9 volume=457622.500 peak=46 ppm1=8.257 ppm2=4.089

assign ( resid 110 and name H
	 )
       ( resid 110 and name HA
	 ) 2.3 0.6 0.6 volume=1361105.250 peak=47 ppm1=8.209 ppm2=4.265

assign ( resid 88 and name H
	 )
       ( resid 88 and name HB2
	 ) 2.3 0.7 0.7 volume=620045.250 peak=48 ppm1=8.256 ppm2=2.338

assign ( resid 87 and name H
	 )
       ( resid 87 and name HG2
	 or resid 87 and name HG3
	 ) 3.0 1.2 1.2 volume=299538.625 peak=51 ppm1=8.044 ppm2=2.354

assign ( resid 87 and name H
	 )
       ( resid 87 and name HA
	 ) 2.9 1.0 1.0 volume=320273.125 peak=52 ppm1=8.043 ppm2=4.168

assign ( resid 91 and name H
	 )
       ( resid 89 and name HA
	 ) 2.9 1.0 3.1 volume=558847.500 peak=53 ppm1=8.693 ppm2=4.321

assign ( resid 90 and name H
	 )
       ( resid 90 and name HB3
	 ) 3.8 1.8 1.8 volume=290382.750 peak=54 ppm1=8.322 ppm2=3.292

assign ( resid 90 and name H
	 )
       ( resid 90 and name HB2
	 ) 2.6 0.8 0.8 volume=262032.250 peak=55 ppm1=8.322 ppm2=3.435

assign ( resid 89 and name H
	 )
       ( resid 89 and name HA
	 ) 2.9 1.1 1.1 volume=283425.625 peak=56 ppm1=7.792 ppm2=4.200

assign ( resid 89 and name H
	 )
       ( resid 89 and name HB3
	 ) 3.0 1.2 1.2 volume=197500.000 peak=57 ppm1=7.795 ppm2=1.984

assign ( resid 86 and name H
	 )
       ( resid 86 and name HA
	 ) 2.9 1.1 1.1 volume=227359.750 peak=58 ppm1=8.247 ppm2=3.689

assign ( resid 84 and name H
	 )
       ( resid 84 and name HB3
	 ) 2.4 0.7 0.7 volume=710736.250 peak=59 ppm1=8.090 ppm2=2.148

assign ( resid 84 and name H
	 )
       ( resid 84 and name HG2
	 ) 3.7 1.7 1.7 volume=136689.750 peak=60 ppm1=8.093 ppm2=2.429

assign ( resid 84 and name H
	 )
       ( resid 84 and name HA
	 ) 2.7 0.9 0.9 volume=403962.500 peak=61 ppm1=8.089 ppm2=4.096

assign ( resid 83 and name H
	 )
       ( resid 83 and name HB3
	 ) 2.5 0.8 0.8 volume=578352.500 peak=62 ppm1=8.827 ppm2=2.876

assign ( resid 83 and name H
	 )
       ( resid 83 and name HA
	 ) 3.0 1.1 1.1 volume=274436.500 peak=63 ppm1=8.840 ppm2=4.320

assign ( resid 82 and name H
	 )
       ( resid 82 and name HA
	 ) 3.1 1.2 1.2 volume=243946.250 peak=64 ppm1=7.805 ppm2=3.785

assign ( resid 82 and name H
	 )
       ( resid 82 and name HB2
	 ) 2.9 1.1 1.1 volume=355527.750 peak=65 ppm1=7.804 ppm2=3.251

assign ( resid 82 and name H
	 )
       ( resid 82 and name HB3
	 ) 2.5 0.8 0.8 volume=407563.375 peak=66 ppm1=7.804 ppm2=2.958

assign ( resid 81 and name H
	 )
       ( resid 81 and name HA
	 ) 2.7 0.9 0.9 volume=406545.125 peak=67 ppm1=8.611 ppm2=4.726

assign ( resid 81 and name H
	 )
       ( resid 81 and name HB3
	 or resid 81 and name HB2
	 ) 3.1 1.2 1.2 volume=218516.875 peak=68 ppm1=8.611 ppm2=2.921

assign ( resid 80 and name H
	 )
       ( resid 80 and name HA
	 ) 2.2 0.6 0.6 volume=994672.250 peak=69 ppm1=8.670 ppm2=4.215

assign ( resid 80 and name H
	 )
       ( resid 80 and name HB#
	 ) 2.3 0.7 0.7 volume=732650.375 peak=70 ppm1=8.669 ppm2=1.419

assign ( resid 77 and name H
	 )
       ( resid 77 and name HB#
	 ) 2.3 0.7 0.7 volume=452673.625 peak=71 ppm1=8.190 ppm2=1.342

assign ( resid 77 and name H
	 )
       ( resid 77 and name HA
	 ) 2.8 0.9 0.9 volume=253658.250 peak=72 ppm1=8.191 ppm2=4.715

assign ( resid 74 and name H
	 )
       ( resid 74 and name HA
	 ) 3.2 1.3 1.3 volume=243040.875 peak=73 ppm1=7.842 ppm2=4.567

assign ( resid 74 and name H
	 )
       ( resid 74 and name HB2
	 ) 3.0 1.1 1.1 volume=325268.000 peak=74 ppm1=7.842 ppm2=2.701

assign ( resid 74 and name H
	 )
       ( resid 74 and name HB3
	 ) 3.0 1.1 1.1 volume=225571.500 peak=75 ppm1=7.843 ppm2=2.820

assign ( resid 73 and name H
	 )
       ( resid 73 and name HA
	 ) 2.7 0.9 0.9 volume=394105.500 peak=76 ppm1=8.006 ppm2=4.143

assign ( resid 73 and name H
	 )
       ( resid 73 and name HB#
	 ) 2.0 0.5 0.5 volume=900443.625 peak=77 ppm1=8.005 ppm2=1.357

assign ( resid 70 and name H
	 )
       ( resid 70 and name HA
	 ) 2.8 1.0 1.0 volume=273225.750 peak=78 ppm1=7.341 ppm2=4.333

assign ( resid 37 and name H
	 )
       ( resid 37 and name HA
	 ) 2.7 0.9 0.9 volume=321319.875 peak=79 ppm1=7.433 ppm2=4.402

assign ( resid 69 and name H
	 )
       ( resid 69 and name HA
	 ) 2.8 1.0 1.0 volume=375801.375 peak=80 ppm1=7.415 ppm2=4.225

assign ( resid 69 and name H
	 )
       ( resid 69 and name HB3
	 ) 2.7 0.9 0.9 volume=327072.625 peak=81 ppm1=7.415 ppm2=2.019

assign ( resid 69 and name H
	 )
       ( resid 69 and name HB2
	 ) 2.5 0.8 0.8 volume=471794.125 peak=82 ppm1=7.415 ppm2=1.823

assign ( resid 68 and name H
	 )
       ( resid 68 and name HA
	 ) 2.9 1.0 1.0 volume=336371.000 peak=84 ppm1=7.747 ppm2=4.158

assign ( resid 68 and name H
	 )
       ( resid 68 and name HG3
	 or resid 68 and name HG2
	 ) 4.4 2.4 2.4 volume=200932.000 peak=85 ppm1=7.747 ppm2=2.581

assign ( resid 67 and name H
	 )
       ( resid 67 and name HA
	 ) 2.7 0.9 0.9 volume=401757.500 peak=86 ppm1=8.225 ppm2=3.855

assign ( resid 66 and name H
	 )
       ( resid 66 and name HA
	 ) 2.6 0.9 0.9 volume=452988.250 peak=87 ppm1=8.165 ppm2=4.058

assign ( resid 66 and name H
	 )
       ( resid 66 and name HB#
	 ) 2.1 0.5 0.5 volume=862004.875 peak=88 ppm1=8.164 ppm2=1.557

assign ( resid 65 and name H
	 )
       ( resid 65 and name HA
	 ) 2.9 1.0 1.0 volume=357547.500 peak=89 ppm1=7.996 ppm2=4.459

assign ( resid 65 and name H
	 )
       ( resid 65 and name HB3
	 ) 3.5 1.5 1.5 volume=493228.125 peak=90 ppm1=7.996 ppm2=2.936

assign ( resid 65 and name H
	 )
       ( resid 65 and name HB2
	 ) 2.4 0.7 0.7 volume=393232.875 peak=91 ppm1=7.997 ppm2=2.855

assign ( resid 64 and name H
	 )
       ( resid 64 and name HD3
	 or resid 64 and name HD2
	 ) 4.2 2.2 2.2 volume=301155.875 peak=93 ppm1=9.022 ppm2=1.721

assign ( resid 64 and name H
	 )
       ( resid 64 and name HB2
	 or resid 64 and name HB3
	 ) 2.5 0.8 0.8 volume=341331.125 peak=94 ppm1=9.022 ppm2=2.033

assign ( resid 63 and name H
	 )
       ( resid 63 and name HB3
	 ) 2.6 0.8 0.8 volume=442855.500 peak=96 ppm1=8.173 ppm2=2.894

assign ( resid 62 and name H
	 )
       ( resid 62 and name HA
	 ) 2.6 0.8 0.8 volume=649258.375 peak=97 ppm1=8.200 ppm2=4.172

assign ( resid 61 and name H
	 )
       ( resid 61 and name HB3
	 ) 3.0 1.1 1.1 volume=251493.750 peak=98 ppm1=8.377 ppm2=2.642

assign ( resid 61 and name H
	 )
       ( resid 61 and name HB2
	 ) 2.7 0.9 0.9 volume=349547.625 peak=99 ppm1=8.377 ppm2=2.846

assign ( resid 58 and name H
	 )
       ( resid 58 and name HG2
	 ) 4.4 2.4 2.4 volume=118736.125 peak=100 ppm1=7.728 ppm2=2.416

assign ( resid 58 and name H
	 )
       ( resid 58 and name HA
	 ) 2.7 0.9 0.9 volume=407990.375 peak=101 ppm1=7.727 ppm2=4.134

assign ( resid 57 and name H
	 )
       ( resid 57 and name HA
	 ) 2.9 1.0 1.0 volume=263771.250 peak=102 ppm1=8.299 ppm2=3.871

assign ( resid 54 and name H
	 )
       ( resid 54 and name HA
	 ) 2.9 1.1 1.1 volume=209531.500 peak=103 ppm1=7.613 ppm2=3.598

assign ( resid 54 and name HD1#
	 )
       ( resid 54 and name H
	 ) 4.2 2.2 2.2 volume=133336.000 peak=104 ppm1=0.578 ppm2=7.618

assign ( resid 54 and name H
	 )
       ( resid 54 and name HG12
	 ) 2.5 0.8 0.8 volume=236874.625 peak=106 ppm1=7.612 ppm2=1.225

assign ( resid 54 and name H
	 )
       ( resid 54 and name HG13
	 ) 3.6 1.6 1.6 volume=275940.500 peak=107 ppm1=7.612 ppm2=1.057

assign ( resid 53 and name H
	 )
       ( resid 53 and name HB2
	 ) 2.9 1.1 1.1 volume=249603.125 peak=108 ppm1=8.425 ppm2=2.954

assign ( resid 53 and name H
	 )
       ( resid 53 and name HB3
	 ) 2.7 0.9 0.9 volume=325107.250 peak=109 ppm1=8.425 ppm2=3.136

assign ( resid 53 and name H
	 )
       ( resid 53 and name HA
	 ) 2.9 1.0 1.0 volume=291871.375 peak=110 ppm1=8.426 ppm2=3.893

assign ( resid 52 and name H
	 )
       ( resid 52 and name HA
	 ) 2.7 0.9 0.9 volume=304591.125 peak=111 ppm1=8.120 ppm2=4.044

assign ( resid 51 and name H
	 )
       ( resid 51 and name HA
	 ) 3.0 1.2 1.2 volume=246901.875 peak=112 ppm1=8.338 ppm2=3.856

assign ( resid 50 and name H
	 )
       ( resid 50 and name HB3
	 ) 2.8 1.0 1.0 volume=308179.875 peak=113 ppm1=8.458 ppm2=3.248

assign ( resid 50 and name H
	 )
       ( resid 50 and name HB2
	 ) 2.7 0.9 0.9 volume=347047.625 peak=114 ppm1=8.457 ppm2=3.124

assign ( resid 50 and name H
	 )
       ( resid 50 and name HA
	 ) 2.9 1.1 1.1 volume=269086.375 peak=115 ppm1=8.459 ppm2=4.012

assign ( resid 48 and name H
	 )
       ( resid 48 and name HA
	 ) 2.9 1.1 1.1 volume=330352.250 peak=116 ppm1=7.808 ppm2=4.521

assign ( resid 47 and name H
	 )
       ( resid 47 and name HA
	 ) 2.8 1.0 1.0 volume=335172.875 peak=117 ppm1=8.067 ppm2=4.179

assign ( resid 47 and name H
	 )
       ( resid 47 and name HB3
	 ) 2.3 0.7 0.7 volume=738391.500 peak=118 ppm1=8.068 ppm2=2.208

assign ( resid 41 and name H
	 )
       ( resid 41 and name HA
	 ) 3.0 1.1 1.1 volume=255078.750 peak=123 ppm1=7.529 ppm2=4.287

assign ( resid 41 and name H
	 )
       ( resid 41 and name HD2#
	 ) 3.9 1.9 1.9 volume=211422.125 peak=124 ppm1=7.529 ppm2=0.928

assign ( resid 40 and name H
	 )
       ( resid 40 and name HA
	 ) 2.2 0.6 0.6 volume=644300.125 peak=125 ppm1=7.793 ppm2=4.132

assign ( resid 38 and name H
	 )
       ( resid 38 and name HA
	 ) 2.8 1.0 1.0 volume=328875.875 peak=127 ppm1=8.725 ppm2=4.082

assign ( resid 36 and name H
	 )
       ( resid 36 and name HA
	 ) 2.9 1.1 1.1 volume=337322.125 peak=128 ppm1=7.347 ppm2=4.355

assign ( resid 36 and name H
	 )
       ( resid 36 and name HG2
	 or resid 36 and name HG3
	 ) 3.2 1.3 1.3 volume=211947.625 peak=129 ppm1=7.345 ppm2=2.541

assign ( resid 33 and name H
	 )
       ( resid 33 and name HB3
	 or resid 33 and name HB2
	 ) 2.5 0.8 0.8 volume=745751.125 peak=130 ppm1=8.052 ppm2=4.023

assign ( resid 32 and name H
	 )
       ( resid 32 and name HA
	 ) 2.7 0.9 0.9 volume=255270.750 peak=132 ppm1=8.738 ppm2=3.972

assign ( resid 31 and name H
	 )
       ( resid 31 and name HA
	 ) 2.8 1.0 1.0 volume=321287.750 peak=133 ppm1=7.944 ppm2=4.219

assign ( resid 30 and name H
	 )
       ( resid 30 and name HB3
	 or resid 30 and name HB2
	 ) 2.5 0.8 0.8 volume=778930.875 peak=134 ppm1=8.209 ppm2=4.011

assign ( resid 30 and name H
	 )
       ( resid 30 and name HA
	 ) 2.8 1.0 1.0 volume=419316.250 peak=135 ppm1=8.209 ppm2=4.277

assign ( resid 29 and name H
	 )
       ( resid 29 and name HB2
	 ) 2.6 0.9 0.9 volume=319983.500 peak=136 ppm1=8.919 ppm2=2.792

assign ( resid 29 and name H
	 )
       ( resid 29 and name HB3
	 ) 3.9 1.9 1.9 volume=285380.250 peak=137 ppm1=8.919 ppm2=2.614

assign ( resid 28 and name H
	 )
       ( resid 28 and name HB
	 ) 2.4 0.7 0.7 volume=374271.500 peak=139 ppm1=8.827 ppm2=2.325

assign ( resid 28 and name H
	 )
       ( resid 28 and name HG2#
	 ) 2.5 0.8 0.8 volume=316652.000 peak=140 ppm1=8.828 ppm2=1.114

assign ( resid 23 and name H
	 )
       ( resid 23 and name HA
	 ) 2.8 0.9 0.9 volume=423290.500 peak=142 ppm1=7.736 ppm2=4.144

assign ( resid 21 and name H
	 )
       ( resid 21 and name HA
	 ) 2.9 1.0 1.0 volume=224361.750 peak=143 ppm1=9.049 ppm2=4.470

assign ( resid 21 and name H
	 )
       ( resid 21 and name HB2
	 ) 3.0 1.1 1.1 volume=206322.250 peak=144 ppm1=9.039 ppm2=3.271

assign ( resid 16 and name H
	 )
       ( resid 16 and name HB#
	 ) 2.2 0.6 0.6 volume=582547.125 peak=147 ppm1=8.036 ppm2=1.476

assign ( resid 16 and name H
	 )
       ( resid 16 and name HA
	 ) 2.7 0.9 0.9 volume=329576.625 peak=148 ppm1=8.036 ppm2=4.111

assign ( resid 12 and name H
	 )
       ( resid 12 and name HB2
	 ) 2.7 0.9 0.9 volume=240033.625 peak=149 ppm1=8.517 ppm2=2.747

assign ( resid 12 and name H
	 )
       ( resid 12 and name HB3
	 ) 3.6 1.6 1.6 volume=195218.500 peak=150 ppm1=8.516 ppm2=2.874

assign ( resid 12 and name H
	 )
       ( resid 12 and name HA
	 ) 2.9 1.0 1.0 volume=278435.000 peak=151 ppm1=8.517 ppm2=5.027

assign ( resid 14 and name H
	 )
       ( resid 14 and name HA
	 ) 3.6 1.6 1.6 volume=54865.000 peak=152 ppm1=9.162 ppm2=4.167

assign ( resid 14 and name H
	 )
       ( resid 14 and name HB3
	 ) 3.4 1.4 1.4 volume=61420.000 peak=153 ppm1=9.172 ppm2=2.024

assign ( resid 14 and name H
	 )
       ( resid 14 and name HB2
	 ) 4.9 3.0 3.0 volume=40475.500 peak=154 ppm1=9.163 ppm2=1.597

assign ( resid 9 and name H
	 )
       ( resid 9 and name HG3
	 or resid 9 and name HG2
	 ) 3.3 1.3 1.3 volume=298099.375 peak=155 ppm1=8.316 ppm2=1.653

assign ( resid 7 and name H
	 )
       ( resid 7 and name HA
	 ) 2.4 0.7 0.7 volume=855267.375 peak=157 ppm1=8.175 ppm2=4.287

assign ( resid 7 and name H
	 )
       ( resid 7 and name HB#
	 ) 2.2 0.6 0.6 volume=770623.875 peak=158 ppm1=8.175 ppm2=1.388

assign ( resid 93 and name H
	 )
       ( resid 93 and name HA
	 ) 2.9 1.0 1.0 volume=224387.875 peak=160 ppm1=8.203 ppm2=3.968

assign ( resid 56 and name H
	 )
       ( resid 56 and name HA
	 ) 2.7 0.9 0.9 volume=273566.250 peak=163 ppm1=8.696 ppm2=4.134

assign ( resid 117 and name H
	 )
       ( resid 116 and name HA3
	 or resid 116 and name HA2
	 ) 2.6 0.8 0.8 volume=648378.000 peak=164 ppm1=8.083 ppm2=3.936

assign ( resid 116 and name H
	 )
       ( resid 115 and name HG2#
	 or resid 115 and name HG1#
	 ) 3.7 1.7 1.7 volume=224872.250 peak=165 ppm1=8.481 ppm2=0.939

assign ( resid 116 and name H
	 )
       ( resid 115 and name HB
	 ) 4.1 2.1 2.1 volume=132337.500 peak=166 ppm1=8.481 ppm2=2.081

assign ( resid 116 and name H
	 )
       ( resid 115 and name HA
	 ) 2.4 0.7 0.7 volume=766886.000 peak=167 ppm1=8.481 ppm2=4.090

assign ( resid 34 and name H
	 )
       ( resid 34 and name HA
	 ) 2.4 0.7 0.7 volume=617055.000 peak=168 ppm1=8.377 ppm2=4.052

assign ( resid 104 and name H
	 )
       ( resid 103 and name HD2#
	 ) 4.0 2.0 2.0 volume=143062.375 peak=169 ppm1=8.533 ppm2=0.868

assign ( resid 104 and name H
	 )
       ( resid 103 and name HD1#
	 ) 3.9 1.9 1.9 volume=159039.125 peak=170 ppm1=8.534 ppm2=0.981

assign ( resid 108 and name H
	 )
       ( resid 107 and name HB
	 ) 2.9 1.0 1.0 volume=223871.875 peak=171 ppm1=7.940 ppm2=2.011

assign ( resid 106 and name H
	 )
       ( resid 105 and name HG2#
	 ) 3.0 1.1 1.1 volume=303563.125 peak=172 ppm1=7.906 ppm2=0.988

assign ( resid 107 and name H
	 )
       ( resid 106 and name HB
	 ) 2.7 0.9 0.9 volume=224070.000 peak=173 ppm1=8.234 ppm2=4.408

assign ( resid 106 and name H
	 )
       ( resid 105 and name HB
	 ) 2.7 0.9 0.9 volume=289571.500 peak=174 ppm1=7.905 ppm2=2.258

assign ( resid 108 and name H
	 )
       ( resid 107 and name H
	 ) 2.4 0.7 0.7 volume=480371.750 peak=176 ppm1=7.938 ppm2=8.234

assign ( resid 105 and name H
	 )
       ( resid 105 and name HG2#
	 ) 3.2 1.3 1.3 volume=434497.750 peak=177 ppm1=7.951 ppm2=0.983

assign ( resid 105 and name H
	 )
       ( resid 104 and name HB#
	 ) 2.4 0.7 0.7 volume=431866.125 peak=178 ppm1=7.959 ppm2=1.554

assign ( resid 104 and name H
	 )
       ( resid 104 and name HA
	 ) 2.6 0.8 0.8 volume=389317.875 peak=182 ppm1=8.533 ppm2=4.072

assign ( resid 104 and name H
	 )
       ( resid 103 and name H
	 ) 2.7 0.9 0.9 volume=307800.750 peak=184 ppm1=8.533 ppm2=7.543

assign ( resid 103 and name H
	 )
       ( resid 103 and name HA
	 ) 2.9 1.1 1.1 volume=273967.250 peak=185 ppm1=7.541 ppm2=4.338

assign ( resid 103 and name H
	 )
       ( resid 100 and name HA
	 ) 3.2 1.2 1.2 volume=216935.250 peak=186 ppm1=7.542 ppm2=4.118

assign ( resid 103 and name H
	 )
       ( resid 102 and name HA2
	 ) 3.0 1.1 1.1 volume=300110.125 peak=187 ppm1=7.542 ppm2=3.911

assign ( resid 103 and name H
	 )
       ( resid 103 and name HD2#
	 ) 3.9 1.9 1.9 volume=221020.875 peak=188 ppm1=7.543 ppm2=0.859

assign ( resid 103 and name H
	 )
       ( resid 103 and name HD1#
	 ) 4.1 2.1 2.1 volume=188842.875 peak=189 ppm1=7.542 ppm2=0.990

assign ( resid 103 and name H
	 )
       ( resid 103 and name HB3
	 or resid 103 and name HB2
	 ) 2.5 0.8 0.8 volume=499530.375 peak=190 ppm1=7.542 ppm2=1.566

assign ( resid 102 and name H
	 )
       ( resid 101 and name HB3
	 ) 4.0 2.0 2.0 volume=178908.000 peak=194 ppm1=8.005 ppm2=2.092

assign ( resid 102 and name H
	 )
       ( resid 101 and name HB2
	 ) 2.9 1.1 1.1 volume=188801.375 peak=195 ppm1=8.005 ppm2=2.236

assign ( resid 101 and name H
	 )
       ( resid 100 and name HD1#
	 ) 3.8 1.8 1.8 volume=192841.500 peak=198 ppm1=8.558 ppm2=0.894

assign ( resid 99 and name H
	 )
       ( resid 98 and name HG3
	 or resid 98 and name HG2
	 ) 3.4 1.5 1.5 volume=313199.625 peak=200 ppm1=8.478 ppm2=2.624

assign ( resid 99 and name H
	 )
       ( resid 99 and name HA
	 ) 2.6 0.9 0.9 volume=518292.250 peak=201 ppm1=8.481 ppm2=4.074

assign ( resid 98 and name H
	 )
       ( resid 97 and name HG2#
	 ) 3.5 1.5 1.5 volume=163338.500 peak=204 ppm1=7.920 ppm2=1.227

assign ( resid 17 and name H
	 )
       ( resid 16 and name HB#
	 ) 2.4 0.7 0.7 volume=408213.500 peak=205 ppm1=7.922 ppm2=1.476

assign ( resid 17 and name H
	 )
       ( resid 17 and name HB3
	 ) 2.3 0.7 0.7 volume=745912.500 peak=206 ppm1=7.924 ppm2=1.740

assign ( resid 98 and name H
	 )
       ( resid 97 and name HB
	 ) 2.7 0.9 0.9 volume=256268.625 peak=207 ppm1=7.921 ppm2=4.532

assign ( resid 99 and name H
	 )
       ( resid 98 and name H
	 ) 2.7 0.9 0.9 volume=246687.000 peak=208 ppm1=8.478 ppm2=7.925

assign ( resid 97 and name H
	 )
       ( resid 60 and name HD1#
	 ) 3.5 1.5 1.5 volume=138174.750 peak=209 ppm1=8.157 ppm2=0.773

assign ( resid 97 and name H
	 )
       ( resid 96 and name HD2#
	 ) 4.3 2.3 2.3 volume=141822.500 peak=210 ppm1=8.156 ppm2=0.940

assign ( resid 97 and name H
	 )
       ( resid 98 and name H
	 ) 2.9 1.1 1.1 volume=201873.750 peak=211 ppm1=8.158 ppm2=7.921

assign ( resid 97 and name H
	 )
       ( resid 96 and name H
	 ) 3.0 1.1 1.1 volume=145982.875 peak=212 ppm1=8.156 ppm2=8.607

assign ( resid 30 and name H
	 )
       ( resid 29 and name H
	 ) 2.8 1.0 1.0 volume=245189.125 peak=214 ppm1=8.209 ppm2=8.915

assign ( resid 30 and name H
	 )
       ( resid 29 and name HB3
	 ) 3.8 1.8 1.8 volume=220367.000 peak=215 ppm1=8.209 ppm2=2.618

assign ( resid 30 and name H
	 )
       ( resid 29 and name HB2
	 ) 2.9 1.0 1.0 volume=248537.250 peak=216 ppm1=8.208 ppm2=2.789

assign ( resid 10 and name H
	 )
       ( resid 9 and name HG3
	 ) 4.2 2.2 2.2 volume=139050.000 peak=217 ppm1=8.428 ppm2=1.659

assign ( resid 10 and name H
	 )
       ( resid 10 and name HA
	 ) 2.1 0.6 3.9 volume=1294566.000 peak=218 ppm1=8.429 ppm2=4.311

assign ( resid 91 and name H
	 )
       ( resid 91 and name HA
	 ) 2.8 1.0 1.0 volume=352410.750 peak=222 ppm1=8.695 ppm2=3.946

assign ( resid 91 and name H
	 )
       ( resid 90 and name HB3
	 ) 3.8 1.8 1.8 volume=130292.375 peak=223 ppm1=8.694 ppm2=3.290

assign ( resid 91 and name H
	 )
       ( resid 90 and name HB2
	 ) 3.1 1.2 1.2 volume=165438.375 peak=224 ppm1=8.694 ppm2=3.436

assign ( resid 91 and name H
	 )
       ( resid 91 and name HG2#
	 ) 3.9 1.9 1.9 volume=194190.750 peak=225 ppm1=8.695 ppm2=1.286

assign ( resid 90 and name H
	 )
       ( resid 67 and name HD2#
	 ) 3.3 1.3 1.3 volume=214838.000 peak=228 ppm1=8.323 ppm2=0.747

assign ( resid 21 and name H
	 )
       ( resid 20 and name HB2
	 or resid 20 and name HB3
	 ) 2.9 1.0 1.0 volume=328980.625 peak=233 ppm1=9.049 ppm2=1.994

assign ( resid 21 and name H
	 )
       ( resid 18 and name HA
	 ) 3.2 1.2 1.2 volume=193703.125 peak=234 ppm1=9.050 ppm2=4.076

assign ( resid 44 and name H
	 )
       ( resid 46 and name H
	 ) 4.3 2.3 2.3 volume=58125.875 peak=236 ppm1=9.009 ppm2=8.549

assign ( resid 44 and name H
	 )
       ( resid 43 and name HA
	 ) 3.3 1.4 1.4 volume=151432.125 peak=237 ppm1=9.008 ppm2=4.153

assign ( resid 44 and name H
	 )
       ( resid 43 and name HB3
	 ) 3.4 1.4 1.4 volume=183980.750 peak=238 ppm1=9.009 ppm2=2.406

assign ( resid 44 and name H
	 )
       ( resid 43 and name HD2
	 ) 3.4 1.5 1.5 volume=134367.875 peak=239 ppm1=9.007 ppm2=3.910

assign ( resid 79 and name H
	 )
       ( resid 80 and name H
	 ) 3.1 1.2 1.2 volume=77834.250 peak=240 ppm1=8.256 ppm2=8.677

assign ( resid 80 and name H
	 )
       ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 ) 3.1 1.2 1.2 volume=320964.250 peak=241 ppm1=8.670 ppm2=1.043

assign ( resid 83 and name H
	 )
       ( resid 82 and name H
	 ) 2.9 1.1 1.1 volume=198392.375 peak=243 ppm1=8.840 ppm2=7.801

assign ( resid 83 and name H
	 )
       ( resid 82 and name HA
	 ) 3.9 1.9 1.9 volume=88203.375 peak=246 ppm1=8.841 ppm2=3.782

assign ( resid 83 and name H
	 )
       ( resid 81 and name HA
	 ) 4.1 2.1 2.1 volume=61211.000 peak=247 ppm1=8.841 ppm2=4.732

assign ( resid 77 and name H
	 )
       ( resid 78 and name HD2
	 ) 3.5 1.5 1.5 volume=102728.875 peak=248 ppm1=8.191 ppm2=3.641

assign ( resid 77 and name H
	 )
       ( resid 76 and name HA
	 ) 3.1 1.2 1.2 volume=168588.875 peak=250 ppm1=8.192 ppm2=4.383

assign ( resid 70 and name H
	 )
       ( resid 68 and name H
	 ) 4.6 2.6 2.6 volume=55135.625 peak=251 ppm1=7.342 ppm2=7.759

assign ( resid 70 and name H
	 )
       ( resid 71 and name H
	 ) 3.7 1.7 1.7 volume=109906.375 peak=252 ppm1=7.342 ppm2=8.692

assign ( resid 70 and name H
	 )
       ( resid 67 and name HA
	 ) 3.4 1.5 1.5 volume=99473.750 peak=253 ppm1=7.342 ppm2=3.854

assign ( resid 70 and name H
	 )
       ( resid 70 and name HD2#
	 ) 3.1 1.2 1.2 volume=330481.500 peak=254 ppm1=7.342 ppm2=0.900

assign ( resid 37 and name H
	 )
       ( resid 40 and name HB#
	 ) 3.1 1.2 1.2 volume=165289.375 peak=256 ppm1=7.434 ppm2=1.478

assign ( resid 37 and name H
	 )
       ( resid 37 and name HB2
	 ) 2.2 0.6 0.6 volume=803267.125 peak=257 ppm1=7.433 ppm2=1.909

assign ( resid 37 and name H
	 )
       ( resid 37 and name HG
	 ) 2.4 0.7 0.7 volume=312374.250 peak=258 ppm1=7.433 ppm2=1.766

assign ( resid 37 and name H
	 )
       ( resid 38 and name HA
	 ) 3.6 1.6 2.4 volume=208112.750 peak=259 ppm1=7.433 ppm2=4.084

assign ( resid 37 and name H
	 )
       ( resid 40 and name H
	 ) 4.4 2.5 2.5 volume=66931.000 peak=260 ppm1=7.431 ppm2=7.795

assign ( resid 97 and name H
	 )
       ( resid 96 and name HB3
	 ) 4.2 2.2 2.2 volume=89550.750 peak=262 ppm1=8.156 ppm2=1.406

assign ( resid 30 and name H
	 )
       ( resid 28 and name HG1#
	 ) 4.1 2.2 2.2 volume=81751.625 peak=263 ppm1=8.213 ppm2=0.914

assign ( resid 30 and name H
	 )
       ( resid 31 and name HB2
	 ) 4.8 2.9 2.9 volume=71363.750 peak=264 ppm1=8.210 ppm2=1.565

assign ( resid 30 and name H
	 )
       ( resid 31 and name HB3
	 ) 4.9 3.0 3.0 volume=70347.125 peak=265 ppm1=8.209 ppm2=1.951

assign ( resid 30 and name H
	 )
       ( resid 28 and name HB
	 ) 4.5 2.6 2.6 volume=82223.875 peak=266 ppm1=8.210 ppm2=2.316

assign ( resid 33 and name H
	 )
       ( resid 32 and name HD1#
	 ) 4.3 2.3 2.3 volume=122703.375 peak=269 ppm1=8.052 ppm2=0.867

assign ( resid 33 and name H
	 )
       ( resid 32 and name HB3
	 ) 2.9 1.0 1.0 volume=266762.375 peak=271 ppm1=8.052 ppm2=1.944

assign ( resid 41 and name H
	 )
       ( resid 40 and name HB#
	 ) 2.9 1.1 1.1 volume=291454.875 peak=272 ppm1=7.530 ppm2=1.480

assign ( resid 41 and name H
	 )
       ( resid 40 and name HA
	 ) 2.6 0.9 0.9 volume=326869.750 peak=274 ppm1=7.530 ppm2=4.118

assign ( resid 36 and name H
	 )
       ( resid 34 and name HA
	 ) 3.4 1.4 1.4 volume=154920.125 peak=277 ppm1=7.347 ppm2=4.087

assign ( resid 36 and name H
	 )
       ( resid 35 and name HB2
	 or resid 35 and name HB3
	 ) 3.6 1.6 1.6 volume=136341.750 peak=278 ppm1=7.348 ppm2=4.010

assign ( resid 36 and name H
	 )
       ( resid 37 and name HD2#
	 ) 4.3 2.3 2.3 volume=93660.000 peak=279 ppm1=7.346 ppm2=0.979

assign ( resid 36 and name H
	 )
       ( resid 37 and name HB2
	 or resid 37 and name HB3
	 ) 4.3 2.3 2.3 volume=172451.625 peak=280 ppm1=7.349 ppm2=1.927

assign ( resid 36 and name H
	 )
       ( resid 36 and name HB3
	 ) 2.7 0.9 0.9 volume=336554.000 peak=281 ppm1=7.346 ppm2=2.035

assign ( resid 35 and name H
	 )
       ( resid 35 and name HB2
	 or resid 35 and name HB3
	 ) 2.5 0.8 0.8 volume=569359.000 peak=282 ppm1=8.176 ppm2=3.982

assign ( resid 35 and name H
	 )
       ( resid 34 and name HA
	 ) 2.8 0.9 0.9 volume=442911.375 peak=283 ppm1=8.175 ppm2=4.096

assign ( resid 35 and name H
	 )
       ( resid 36 and name H
	 ) 2.8 1.0 1.0 volume=224596.750 peak=284 ppm1=8.176 ppm2=7.351

assign ( resid 35 and name H
	 )
       ( resid 34 and name H
	 ) 2.6 0.9 0.9 volume=287561.875 peak=285 ppm1=8.176 ppm2=8.376

assign ( resid 35 and name H
	 )
       ( resid 31 and name HD2#
	 ) 3.3 1.4 1.4 volume=187848.375 peak=286 ppm1=8.174 ppm2=0.856

assign ( resid 35 and name H
	 )
       ( resid 34 and name HB3
	 ) 3.8 1.8 1.8 volume=157860.375 peak=287 ppm1=8.174 ppm2=2.176

assign ( resid 35 and name H
	 )
       ( resid 34 and name HB2
	 ) 2.9 1.1 1.1 volume=191581.125 peak=288 ppm1=8.175 ppm2=2.272

assign ( resid 96 and name H
	 )
       ( resid 96 and name HD1#
	 ) 3.6 1.6 1.6 volume=202193.500 peak=289 ppm1=8.601 ppm2=0.772

assign ( resid 96 and name H
	 )
       ( resid 96 and name HD2#
	 ) 3.1 1.2 1.2 volume=289585.000 peak=290 ppm1=8.602 ppm2=0.930

assign ( resid 96 and name H
	 )
       ( resid 96 and name HB3
	 ) 3.8 1.8 1.8 volume=152676.125 peak=291 ppm1=8.602 ppm2=1.402

assign ( resid 96 and name H
	 )
       ( resid 96 and name HB2
	 ) 2.7 0.9 0.9 volume=304840.875 peak=292 ppm1=8.602 ppm2=2.085

assign ( resid 96 and name H
	 )
       ( resid 95 and name HA
	 ) 3.9 1.9 1.9 volume=73704.250 peak=293 ppm1=8.600 ppm2=4.114

assign ( resid 96 and name H
	 )
       ( resid 96 and name HA
	 ) 2.9 1.1 1.1 volume=168038.000 peak=294 ppm1=8.600 ppm2=4.273

assign ( resid 96 and name H
	 )
       ( resid 94 and name H
	 ) 4.4 2.4 2.4 volume=55953.125 peak=296 ppm1=8.601 ppm2=8.424

assign ( resid 39 and name H
	 )
       ( resid 37 and name HD2#
	 ) 3.9 1.9 1.9 volume=115625.000 peak=297 ppm1=8.795 ppm2=0.983

assign ( resid 39 and name H
	 )
       ( resid 40 and name HB#
	 ) 3.8 1.8 1.8 volume=202617.625 peak=298 ppm1=8.796 ppm2=1.497

assign ( resid 39 and name H
	 )
       ( resid 39 and name HB2
	 or resid 39 and name HB3
	 ) 2.6 0.8 0.8 volume=570161.625 peak=299 ppm1=8.796 ppm2=2.064

assign ( resid 39 and name H
	 )
       ( resid 39 and name HA
	 ) 2.8 1.0 1.0 volume=402540.625 peak=300 ppm1=8.796 ppm2=4.157

assign ( resid 39 and name H
	 )
       ( resid 37 and name HA
	 ) 4.2 2.2 2.2 volume=101254.750 peak=301 ppm1=8.796 ppm2=4.420

assign ( resid 82 and name H
	 )
       ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 ) 3.7 1.7 1.7 volume=174506.250 peak=303 ppm1=7.801 ppm2=1.037

assign ( resid 40 and name H
	 )
       ( resid 41 and name HB2
	 or resid 41 and name HB3
	 ) 3.8 1.8 1.8 volume=308391.250 peak=304 ppm1=7.793 ppm2=1.763

assign ( resid 40 and name H
	 )
       ( resid 39 and name HB2
	 or resid 39 and name HB3
	 ) 3.2 1.3 1.3 volume=286451.625 peak=305 ppm1=7.792 ppm2=2.066

assign ( resid 116 and name H
	 )
       ( resid 117 and name H
	 ) 4.2 2.3 2.2 volume=178067.125 peak=309 ppm1=8.483 ppm2=8.081

assign ( resid 59 and name H
	 )
       ( resid 24 and name HD1#
	 or resid 24 and name HD2#
	 ) 3.4 1.4 1.4 volume=161105.875 peak=310 ppm1=7.633 ppm2=0.840

assign ( resid 59 and name H
	 )
       ( resid 59 and name HB#
	 ) 2.1 0.5 0.5 volume=826646.625 peak=311 ppm1=7.634 ppm2=1.583

assign ( resid 59 and name H
	 )
       ( resid 60 and name HB
	 ) 4.4 2.4 2.4 volume=103906.375 peak=312 ppm1=7.634 ppm2=2.022

assign ( resid 59 and name H
	 )
       ( resid 62 and name HB3
	 ) 3.7 1.7 1.7 volume=256837.000 peak=313 ppm1=7.633 ppm2=2.163

assign ( resid 59 and name H
	 )
       ( resid 57 and name HA
	 ) 4.1 2.1 2.1 volume=62217.625 peak=314 ppm1=7.631 ppm2=3.872

assign ( resid 59 and name H
	 )
       ( resid 61 and name H
	 ) 4.1 2.1 2.1 volume=71200.625 peak=316 ppm1=7.637 ppm2=8.347

assign ( resid 60 and name H
	 )
       ( resid 59 and name H
	 ) 2.7 0.9 0.9 volume=241405.000 peak=317 ppm1=8.508 ppm2=7.641

assign ( resid 69 and name H
	 )
       ( resid 68 and name HB2
	 ) 3.0 1.2 1.2 volume=296114.625 peak=318 ppm1=7.415 ppm2=2.275

assign ( resid 69 and name H
	 )
       ( resid 66 and name HA
	 ) 3.4 1.4 1.4 volume=137971.750 peak=319 ppm1=7.414 ppm2=4.066

assign ( resid 69 and name H
	 )
       ( resid 67 and name H
	 ) 4.1 2.1 2.1 volume=65181.625 peak=321 ppm1=7.415 ppm2=8.199

assign ( resid 51 and name H
	 )
       ( resid 50 and name HD#
	 ) 4.8 2.9 2.9 volume=97711.250 peak=322 ppm1=8.341 ppm2=7.063

assign ( resid 51 and name H
	 )
       ( resid 52 and name H
	 ) 2.6 0.9 0.9 volume=204876.500 peak=323 ppm1=8.339 ppm2=8.119

assign ( resid 51 and name H
	 )
       ( resid 49 and name HG2#
	 ) 4.3 2.3 2.3 volume=69409.000 peak=324 ppm1=8.335 ppm2=0.937

assign ( resid 51 and name H
	 )
       ( resid 51 and name HG3
	 ) 4.6 2.6 2.6 volume=164269.125 peak=326 ppm1=8.338 ppm2=2.633

assign ( resid 51 and name H
	 )
       ( resid 51 and name HG2
	 ) 4.8 2.9 2.9 volume=155696.625 peak=327 ppm1=8.336 ppm2=2.526

assign ( resid 51 and name H
	 )
       ( resid 50 and name HB3
	 ) 2.8 1.0 1.0 volume=228771.000 peak=328 ppm1=8.338 ppm2=3.248

assign ( resid 51 and name H
	 )
       ( resid 50 and name HB2
	 ) 4.2 2.2 2.2 volume=165801.750 peak=329 ppm1=8.338 ppm2=3.128

assign ( resid 51 and name H
	 )
       ( resid 50 and name HA
	 ) 3.6 1.6 1.6 volume=137440.375 peak=330 ppm1=8.338 ppm2=4.017

assign ( resid 51 and name H
	 )
       ( resid 47 and name HA
	 ) 4.3 2.3 2.3 volume=67449.750 peak=331 ppm1=8.336 ppm2=4.173

assign ( resid 51 and name H
	 )
       ( resid 48 and name HA
	 ) 3.6 1.6 1.6 volume=98125.125 peak=332 ppm1=8.337 ppm2=4.515

assign ( resid 111 and name H
	 )
       ( resid 110 and name HB3
	 ) 3.9 1.9 1.9 volume=229408.125 peak=333 ppm1=8.362 ppm2=1.976

assign ( resid 111 and name H
	 )
       ( resid 110 and name HG2
	 ) 5.4 3.7 3.7 volume=65938.750 peak=334 ppm1=8.361 ppm2=2.275

assign ( resid 48 and name H
	 )
       ( resid 47 and name H
	 ) 2.6 0.9 0.9 volume=283498.750 peak=335 ppm1=7.807 ppm2=8.071

assign ( resid 47 and name H
	 )
       ( resid 46 and name H
	 ) 2.8 1.0 1.0 volume=198837.000 peak=336 ppm1=8.067 ppm2=8.553

assign ( resid 47 and name H
	 )
       ( resid 48 and name HA
	 ) 4.4 2.5 2.5 volume=165383.000 peak=337 ppm1=8.069 ppm2=4.518

assign ( resid 47 and name H
	 )
       ( resid 46 and name HA
	 ) 3.7 1.7 1.7 volume=98536.625 peak=338 ppm1=8.068 ppm2=3.957

assign ( resid 47 and name H
	 )
       ( resid 48 and name HB2
	 or resid 48 and name HB3
	 ) 4.8 2.9 2.9 volume=89626.625 peak=339 ppm1=8.070 ppm2=3.411

assign ( resid 47 and name H
	 )
       ( resid 50 and name HB3
	 ) 4.9 3.0 3.0 volume=61996.750 peak=341 ppm1=8.069 ppm2=3.259

assign ( resid 57 and name H
	 )
       ( resid 58 and name H
	 ) 2.7 0.9 0.9 volume=257051.500 peak=342 ppm1=8.299 ppm2=7.728

assign ( resid 58 and name H
	 )
       ( resid 57 and name HA
	 ) 3.7 1.7 1.7 volume=91392.750 peak=343 ppm1=7.727 ppm2=3.869

assign ( resid 58 and name H
	 )
       ( resid 54 and name HA
	 ) 4.1 2.1 2.1 volume=67827.625 peak=344 ppm1=7.729 ppm2=3.604

assign ( resid 58 and name H
	 )
       ( resid 58 and name HB3
	 or resid 58 and name HB2
	 ) 2.6 0.9 0.9 volume=399023.750 peak=345 ppm1=7.728 ppm2=2.169

assign ( resid 58 and name H
	 )
       ( resid 59 and name HB#
	 ) 3.9 1.9 1.9 volume=159382.625 peak=346 ppm1=7.726 ppm2=1.591

assign ( resid 58 and name H
	 )
       ( resid 54 and name HG2#
	 ) 3.4 1.5 1.5 volume=120679.375 peak=347 ppm1=7.727 ppm2=0.841

assign ( resid 54 and name H
	 )
       ( resid 54 and name HB
	 ) 2.4 0.7 0.7 volume=442164.875 peak=348 ppm1=7.612 ppm2=1.946

assign ( resid 54 and name H
	 )
       ( resid 53 and name HB2
	 ) 2.9 1.1 1.1 volume=154032.875 peak=350 ppm1=7.614 ppm2=2.955

assign ( resid 54 and name H
	 )
       ( resid 53 and name HB3
	 ) 4.2 2.2 2.2 volume=141687.875 peak=351 ppm1=7.613 ppm2=3.130

assign ( resid 54 and name H
	 )
       ( resid 51 and name HA
	 ) 3.2 1.3 1.3 volume=178667.000 peak=352 ppm1=7.613 ppm2=3.869

assign ( resid 54 and name H
	 )
       ( resid 52 and name HA
	 ) 3.7 1.7 1.7 volume=92680.750 peak=353 ppm1=7.612 ppm2=4.043

assign ( resid 53 and name H
	 )
       ( resid 54 and name H
	 ) 2.8 1.0 1.0 volume=180495.375 peak=355 ppm1=8.425 ppm2=7.617

assign ( resid 30 and name H
	 )
       ( resid 31 and name H
	 ) 2.6 0.9 0.9 volume=231087.250 peak=356 ppm1=8.209 ppm2=7.948

assign ( resid 32 and name H
	 )
       ( resid 31 and name H
	 ) 2.8 1.0 1.0 volume=209736.500 peak=357 ppm1=8.743 ppm2=7.943

assign ( resid 31 and name H
	 )
       ( resid 30 and name HB3
	 or resid 30 and name HB2
	 ) 3.0 1.1 1.1 volume=287476.500 peak=358 ppm1=7.944 ppm2=4.005

assign ( resid 31 and name H
	 )
       ( resid 28 and name HA
	 ) 3.5 1.5 1.5 volume=91394.250 peak=359 ppm1=7.944 ppm2=3.487

assign ( resid 31 and name H
	 )
       ( resid 31 and name HB2
	 ) 2.6 0.8 0.8 volume=396252.000 peak=361 ppm1=7.943 ppm2=1.562

assign ( resid 31 and name H
	 )
       ( resid 32 and name HB3
	 ) 3.8 1.8 1.8 volume=345220.375 peak=362 ppm1=7.943 ppm2=1.941

assign ( resid 72 and name H
	 )
       ( resid 72 and name HA
	 ) 3.3 1.3 1.3 volume=85890.500 peak=363 ppm1=8.655 ppm2=3.689

assign ( resid 72 and name H
	 )
       ( resid 71 and name HB3
	 ) 5.0 3.2 3.2 volume=60040.000 peak=364 ppm1=8.652 ppm2=3.959

assign ( resid 72 and name H
	 )
       ( resid 71 and name HA
	 ) 2.7 0.9 0.9 volume=219641.625 peak=365 ppm1=8.652 ppm2=4.758

assign ( resid 81 and name H
	 )
       ( resid 82 and name H
	 ) 3.0 1.1 1.1 volume=122227.625 peak=366 ppm1=8.613 ppm2=7.808

assign ( resid 81 and name H
	 )
       ( resid 80 and name HA
	 ) 2.6 0.8 0.8 volume=445558.875 peak=367 ppm1=8.611 ppm2=4.233

assign ( resid 81 and name H
	 )
       ( resid 80 and name HB#
	 ) 2.4 0.7 0.7 volume=256433.875 peak=368 ppm1=8.611 ppm2=1.420

assign ( resid 51 and name H
	 )
       ( resid 54 and name H
	 ) 4.8 2.9 2.9 volume=36621.250 peak=369 ppm1=8.339 ppm2=7.594

assign ( resid 51 and name H
	 )
       ( resid 49 and name HA
	 ) 4.3 2.3 2.3 volume=45051.250 peak=370 ppm1=8.342 ppm2=3.583

assign ( resid 74 and name H
	 )
       ( resid 73 and name HB#
	 ) 2.9 1.0 1.0 volume=276324.500 peak=371 ppm1=7.843 ppm2=1.355

assign ( resid 74 and name H
	 )
       ( resid 72 and name HA
	 ) 4.3 2.3 2.3 volume=44360.125 peak=372 ppm1=7.842 ppm2=3.680

assign ( resid 26 and name H
	 )
       ( resid 24 and name H
	 ) 4.2 2.2 2.2 volume=59409.000 peak=373 ppm1=7.815 ppm2=8.185

assign ( resid 26 and name H
	 )
       ( resid 28 and name H
	 ) 4.5 2.5 2.5 volume=44976.125 peak=375 ppm1=7.810 ppm2=8.842

assign ( resid 26 and name H
	 )
       ( resid 28 and name HG1#
	 ) 4.5 2.6 2.6 volume=76598.750 peak=376 ppm1=7.818 ppm2=0.912

assign ( resid 26 and name H
	 )
       ( resid 25 and name HG2
	 ) 4.4 2.5 2.5 volume=61843.625 peak=377 ppm1=7.810 ppm2=1.500

assign ( resid 26 and name H
	 )
       ( resid 25 and name HB2
	 ) 3.1 1.2 1.2 volume=139718.625 peak=378 ppm1=7.811 ppm2=1.872

assign ( resid 26 and name H
	 )
       ( resid 25 and name HA
	 ) 3.7 1.7 1.7 volume=90947.375 peak=381 ppm1=7.816 ppm2=3.889

assign ( resid 26 and name H
	 )
       ( resid 26 and name HA
	 ) 2.7 0.9 0.9 volume=444397.125 peak=382 ppm1=7.815 ppm2=4.163

assign ( resid 25 and name H
	 )
       ( resid 25 and name HA
	 ) 2.7 0.9 0.9 volume=377068.000 peak=384 ppm1=8.506 ppm2=3.883

assign ( resid 60 and name H
	 )
       ( resid 60 and name HA
	 ) 2.9 1.1 1.1 volume=198387.000 peak=385 ppm1=8.509 ppm2=3.466

assign ( resid 99 and name H
	 )
       ( resid 96 and name HA
	 ) 3.4 1.5 1.5 volume=96318.000 peak=386 ppm1=8.473 ppm2=4.286

assign ( resid 113 and name H
	 )
       ( resid 112 and name HG2#
	 ) 3.0 1.2 1.2 volume=332783.125 peak=387 ppm1=8.225 ppm2=0.891

assign ( resid 113 and name H
	 )
       ( resid 113 and name HA
	 ) 2.9 1.0 1.0 volume=266393.750 peak=388 ppm1=8.231 ppm2=4.348

assign ( resid 93 and name H
	 )
       ( resid 92 and name HB2
	 ) 2.9 1.0 1.0 volume=163566.125 peak=389 ppm1=8.203 ppm2=1.726

assign ( resid 92 and name H
	 )
       ( resid 93 and name H
	 ) 2.9 1.0 1.0 volume=151158.875 peak=390 ppm1=7.740 ppm2=8.203

assign ( resid 64 and name H
	 )
       ( resid 60 and name HG2#
	 ) 3.2 1.3 1.3 volume=121556.000 peak=391 ppm1=9.023 ppm2=0.979

assign ( resid 64 and name H
	 )
       ( resid 63 and name HB3
	 ) 2.9 1.1 1.1 volume=224690.250 peak=392 ppm1=9.022 ppm2=2.897

assign ( resid 64 and name H
	 )
       ( resid 62 and name HA
	 ) 4.4 2.4 2.4 volume=55703.500 peak=393 ppm1=9.017 ppm2=4.169

assign ( resid 64 and name H
	 )
       ( resid 63 and name HA
	 ) 3.7 1.7 1.7 volume=109003.000 peak=395 ppm1=9.023 ppm2=4.494

assign ( resid 28 and name H
	 )
       ( resid 28 and name HG1#
	 ) 3.4 1.4 1.4 volume=242179.750 peak=398 ppm1=8.828 ppm2=0.925

assign ( resid 28 and name H
	 )
       ( resid 27 and name HB3
	 ) 3.1 1.2 1.2 volume=102347.500 peak=399 ppm1=8.827 ppm2=2.138

assign ( resid 28 and name H
	 )
       ( resid 25 and name HA
	 ) 3.4 1.4 1.4 volume=93347.500 peak=400 ppm1=8.829 ppm2=3.888

assign ( resid 28 and name H
	 )
       ( resid 27 and name HA
	 ) 3.5 1.5 1.5 volume=132924.000 peak=401 ppm1=8.829 ppm2=4.107

assign ( resid 28 and name H
	 )
       ( resid 27 and name H
	 ) 2.8 1.0 1.0 volume=203546.125 peak=402 ppm1=8.817 ppm2=7.972

assign ( resid 38 and name H
	 )
       ( resid 37 and name HD2#
	 ) 3.5 1.5 1.5 volume=242699.375 peak=403 ppm1=8.724 ppm2=0.934

assign ( resid 38 and name H
	 )
       ( resid 37 and name HA
	 ) 2.2 0.6 0.6 volume=680427.375 peak=404 ppm1=8.725 ppm2=4.422

assign ( resid 38 and name H
	 )
       ( resid 37 and name H
	 ) 4.2 2.4 2.3 volume=82422.125 peak=405 ppm1=8.701 ppm2=7.441

assign ( resid 92 and name H
	 )
       ( resid 91 and name HG2#
	 ) 4.0 2.0 2.0 volume=141171.750 peak=408 ppm1=7.740 ppm2=1.280

assign ( resid 92 and name H
	 )
       ( resid 92 and name HD1#
	 or resid 92 and name HD2#
	 ) 4.0 2.0 2.0 volume=190518.625 peak=409 ppm1=7.741 ppm2=0.954

assign ( resid 42 and name H
	 )
       ( resid 42 and name HA
	 ) 2.8 1.0 1.0 volume=274989.750 peak=410 ppm1=7.863 ppm2=4.527

assign ( resid 42 and name H
	 )
       ( resid 41 and name HA
	 ) 2.8 1.0 1.0 volume=373804.750 peak=411 ppm1=7.863 ppm2=4.286

assign ( resid 42 and name H
	 )
       ( resid 40 and name HA
	 ) 3.0 1.1 1.1 volume=158121.125 peak=412 ppm1=7.864 ppm2=4.122

assign ( resid 42 and name H
	 )
       ( resid 45 and name HG2
	 or resid 45 and name HG3
	 ) 4.4 2.4 2.4 volume=93588.750 peak=413 ppm1=7.863 ppm2=1.483

assign ( resid 42 and name H
	 )
       ( resid 41 and name HB2
	 or resid 41 and name HB3
	 ) 3.2 1.3 1.3 volume=257710.500 peak=414 ppm1=7.863 ppm2=1.766

assign ( resid 42 and name H
	 )
       ( resid 42 and name HG3
	 ) 4.3 2.3 2.3 volume=233829.250 peak=415 ppm1=7.862 ppm2=2.525

assign ( resid 42 and name H
	 )
       ( resid 42 and name HB2
	 ) 3.0 1.1 1.1 volume=285697.750 peak=416 ppm1=7.861 ppm2=2.305

assign ( resid 73 and name H
	 )
       ( resid 72 and name HB3
	 ) 3.6 1.6 1.6 volume=191349.625 peak=417 ppm1=8.006 ppm2=1.565

assign ( resid 73 and name H
	 )
       ( resid 72 and name HA
	 ) 2.9 1.1 1.1 volume=196215.250 peak=418 ppm1=8.005 ppm2=3.684

assign ( resid 73 and name H
	 )
       ( resid 74 and name H
	 ) 2.7 0.9 0.9 volume=275167.250 peak=419 ppm1=8.004 ppm2=7.843

assign ( resid 44 and name H
	 )
       ( resid 45 and name H
	 ) 2.6 0.8 0.8 volume=315706.500 peak=421 ppm1=8.998 ppm2=7.751

assign ( resid 45 and name H
	 )
       ( resid 45 and name HA
	 ) 2.6 0.9 0.9 volume=403733.625 peak=422 ppm1=7.750 ppm2=4.271

assign ( resid 45 and name H
	 )
       ( resid 46 and name HA
	 ) 4.8 2.9 2.9 volume=85715.625 peak=423 ppm1=7.751 ppm2=3.959

assign ( resid 45 and name H
	 )
       ( resid 44 and name HA
	 ) 3.5 1.6 1.6 volume=160841.750 peak=424 ppm1=7.750 ppm2=4.523

assign ( resid 45 and name H
	 )
       ( resid 44 and name HB3
	 ) 3.1 1.2 1.2 volume=154580.250 peak=425 ppm1=7.750 ppm2=3.006

assign ( resid 45 and name H
	 )
       ( resid 44 and name HB2
	 ) 4.1 2.1 2.1 volume=122903.625 peak=426 ppm1=7.750 ppm2=2.805

assign ( resid 45 and name H
	 )
       ( resid 45 and name HD2
	 or resid 45 and name HD3
	 ) 4.5 2.6 2.6 volume=146916.000 peak=428 ppm1=7.750 ppm2=1.595

assign ( resid 45 and name H
	 )
       ( resid 45 and name HG2
	 or resid 45 and name HG3
	 ) 4.4 2.4 2.4 volume=144681.250 peak=429 ppm1=7.749 ppm2=1.459

assign ( resid 66 and name H
	 )
       ( resid 65 and name HB3
	 ) 3.5 1.5 1.5 volume=274444.250 peak=430 ppm1=8.165 ppm2=2.928

assign ( resid 66 and name H
	 )
       ( resid 65 and name HA
	 ) 3.2 1.3 1.3 volume=248838.125 peak=431 ppm1=8.165 ppm2=4.486

assign ( resid 66 and name H
	 )
       ( resid 65 and name H
	 ) 2.6 0.9 0.9 volume=346648.000 peak=432 ppm1=8.164 ppm2=7.994

assign ( resid 16 and name H
	 )
       ( resid 15 and name H
	 ) 3.0 1.2 1.2 volume=153766.625 peak=433 ppm1=8.037 ppm2=8.391

assign ( resid 16 and name H
	 )
       ( resid 13 and name HA
	 ) 3.5 1.5 1.5 volume=96850.125 peak=434 ppm1=8.037 ppm2=4.342

assign ( resid 16 and name H
	 )
       ( resid 15 and name HB2
	 ) 2.8 1.0 1.0 volume=264119.375 peak=435 ppm1=8.038 ppm2=2.158

assign ( resid 16 and name H
	 )
       ( resid 17 and name HB2
	 or resid 17 and name HB3
	 ) 4.6 2.6 2.6 volume=107377.625 peak=436 ppm1=8.037 ppm2=1.736

assign ( resid 84 and name H
	 )
       ( resid 83 and name H
	 ) 2.7 0.9 0.9 volume=231512.750 peak=437 ppm1=8.090 ppm2=8.840

assign ( resid 84 and name H
	 )
       ( resid 83 and name HB3
	 ) 2.8 0.9 0.9 volume=376362.375 peak=438 ppm1=8.090 ppm2=2.886

assign ( resid 84 and name H
	 )
       ( resid 86 and name HB3
	 ) 3.9 1.9 1.9 volume=100017.875 peak=439 ppm1=8.090 ppm2=1.714

assign ( resid 112 and name H
	 )
       ( resid 111 and name HB2
	 ) 4.1 2.1 2.1 volume=138876.125 peak=440 ppm1=8.099 ppm2=2.735

assign ( resid 11 and name H
	 )
       ( resid 11 and name HG3
	 or resid 11 and name HG2
	 ) 3.4 1.4 1.4 volume=238772.000 peak=441 ppm1=8.468 ppm2=1.648

assign ( resid 11 and name H
	 )
       ( resid 11 and name HB2
	 or resid 11 and name HB3
	 ) 2.6 0.9 0.9 volume=470983.750 peak=442 ppm1=8.467 ppm2=1.807

assign ( resid 11 and name H
	 )
       ( resid 10 and name HB2
	 ) 4.4 2.4 2.4 volume=161225.625 peak=443 ppm1=8.466 ppm2=2.072

assign ( resid 11 and name H
	 )
       ( resid 11 and name HA
	 ) 2.2 0.6 3.8 volume=1146944.750 peak=444 ppm1=8.467 ppm2=4.322

assign ( resid 9 and name H
	 )
       ( resid 9 and name HD2
	 or resid 9 and name HD3
	 ) 4.0 2.0 2.0 volume=65059.500 peak=445 ppm1=8.315 ppm2=3.217

assign ( resid 9 and name H
	 )
       ( resid 9 and name HA
	 ) 2.3 0.7 0.7 volume=1056108.375 peak=446 ppm1=8.316 ppm2=4.290

assign ( resid 60 and name H
	 )
       ( resid 59 and name HB#
	 ) 2.8 1.0 1.0 volume=410403.250 peak=447 ppm1=8.508 ppm2=1.574

assign ( resid 25 and name H
	 )
       ( resid 25 and name HB2
	 or resid 25 and name HB3
	 ) 2.3 0.7 0.7 volume=682517.375 peak=448 ppm1=8.504 ppm2=1.882

assign ( resid 25 and name H
	 )
       ( resid 25 and name HD3
	 or resid 25 and name HD2
	 ) 3.9 1.9 1.9 volume=416657.125 peak=449 ppm1=8.505 ppm2=2.142

assign ( resid 26 and name H
	 )
       ( resid 25 and name H
	 ) 2.8 1.0 1.0 volume=209136.375 peak=451 ppm1=7.811 ppm2=8.508

assign ( resid 53 and name H
	 )
       ( resid 52 and name HA
	 ) 3.1 1.2 1.2 volume=230917.125 peak=453 ppm1=8.426 ppm2=4.029

assign ( resid 52 and name H
	 )
       ( resid 53 and name H
	 ) 2.6 0.8 0.8 volume=212519.875 peak=455 ppm1=8.122 ppm2=8.390

assign ( resid 53 and name H
	 )
       ( resid 31 and name HD2#
	 ) 3.2 1.3 1.3 volume=272132.750 peak=458 ppm1=8.424 ppm2=0.848

assign ( resid 50 and name H
	 )
       ( resid 49 and name HG2#
	 ) 3.1 1.2 1.2 volume=351033.750 peak=459 ppm1=8.459 ppm2=0.916

assign ( resid 50 and name H
	 )
       ( resid 49 and name HB
	 ) 2.6 0.9 0.9 volume=249116.125 peak=460 ppm1=8.458 ppm2=2.120

assign ( resid 50 and name H
	 )
       ( resid 47 and name HA
	 ) 3.2 1.3 1.3 volume=158156.125 peak=461 ppm1=8.458 ppm2=4.169

assign ( resid 50 and name H
	 )
       ( resid 50 and name HD#
	 ) 5.2 3.7 3.4 volume=105261.375 peak=462 ppm1=8.452 ppm2=7.064

assign ( resid 57 and name H
	 )
       ( resid 56 and name HA
	 ) 3.4 1.4 1.4 volume=177204.375 peak=465 ppm1=8.297 ppm2=4.140

assign ( resid 57 and name H
	 )
       ( resid 54 and name HA
	 ) 3.4 1.4 1.4 volume=122014.625 peak=466 ppm1=8.299 ppm2=3.595

assign ( resid 57 and name H
	 )
       ( resid 57 and name HB2
	 or resid 57 and name HB3
	 ) 2.3 0.7 0.7 volume=576493.000 peak=467 ppm1=8.299 ppm2=1.978

assign ( resid 57 and name H
	 )
       ( resid 56 and name HB2
	 ) 3.2 1.3 1.3 volume=114183.375 peak=469 ppm1=8.298 ppm2=1.198

assign ( resid 64 and name H
	 )
       ( resid 63 and name H
	 ) 2.6 0.8 0.8 volume=199407.375 peak=470 ppm1=9.019 ppm2=8.171

assign ( resid 95 and name H
	 )
       ( resid 94 and name HB3
	 ) 4.3 2.3 2.3 volume=162978.750 peak=471 ppm1=8.195 ppm2=2.662

assign ( resid 95 and name H
	 )
       ( resid 94 and name H
	 ) 2.7 0.9 0.9 volume=314136.500 peak=472 ppm1=8.197 ppm2=8.401

assign ( resid 96 and name H
	 )
       ( resid 95 and name H
	 ) 2.7 0.9 0.9 volume=209973.625 peak=473 ppm1=8.601 ppm2=8.185

assign ( resid 95 and name H
	 )
       ( resid 95 and name HG2
	 ) 4.5 2.5 2.5 volume=142316.500 peak=474 ppm1=8.201 ppm2=1.586

assign ( resid 63 and name H
	 )
       ( resid 24 and name HD2#
	 ) 3.4 1.4 1.4 volume=149521.750 peak=475 ppm1=8.177 ppm2=0.866

assign ( resid 82 and name H
	 )
       ( resid 82 and name HD#
	 ) 5.1 3.2 3.2 volume=133845.125 peak=478 ppm1=7.806 ppm2=7.077

assign ( resid 82 and name H
	 )
       ( resid 81 and name HA
	 ) 3.2 1.3 1.3 volume=204711.125 peak=479 ppm1=7.806 ppm2=4.726

assign ( resid 23 and name H
	 )
       ( resid 23 and name HB3
	 or resid 23 and name HB2
	 ) 2.4 0.7 0.7 volume=581303.625 peak=480 ppm1=7.737 ppm2=2.290

assign ( resid 22 and name H
	 )
       ( resid 23 and name H
	 ) 2.6 0.9 0.9 volume=265043.625 peak=481 ppm1=7.979 ppm2=7.736

assign ( resid 46 and name H
	 )
       ( resid 46 and name HA
	 ) 2.8 1.0 1.0 volume=272718.125 peak=485 ppm1=8.553 ppm2=3.956

assign ( resid 88 and name H
	 )
       ( resid 89 and name H
	 ) 2.7 0.9 0.9 volume=233564.000 peak=486 ppm1=8.255 ppm2=7.784

assign ( resid 49 and name H
	 )
       ( resid 48 and name H
	 ) 2.6 0.8 0.8 volume=290361.750 peak=490 ppm1=8.386 ppm2=7.808

assign ( resid 89 and name H
	 )
       ( resid 90 and name H
	 ) 2.6 0.8 0.8 volume=301661.625 peak=491 ppm1=7.790 ppm2=8.308

assign ( resid 48 and name H
	 )
       ( resid 48 and name HB2
	 or resid 48 and name HB3
	 ) 2.5 0.8 0.8 volume=533908.625 peak=492 ppm1=7.808 ppm2=3.418

assign ( resid 89 and name H
	 )
       ( resid 88 and name HG2
	 or resid 88 and name HG3
	 ) 4.0 2.0 2.0 volume=266162.375 peak=493 ppm1=7.791 ppm2=2.537

assign ( resid 109 and name H
	 )
       ( resid 108 and name HB2
	 or resid 108 and name HB3
	 ) 3.8 1.8 1.8 volume=172645.375 peak=496 ppm1=7.863 ppm2=3.896

assign ( resid 109 and name H
	 )
       ( resid 107 and name HG2#
	 ) 4.1 2.1 2.1 volume=88351.500 peak=497 ppm1=7.861 ppm2=0.973

assign ( resid 69 and name H
	 )
       ( resid 68 and name H
	 ) 2.6 0.8 0.8 volume=335693.500 peak=498 ppm1=7.415 ppm2=7.746

assign ( resid 68 and name H
	 )
       ( resid 67 and name H
	 ) 2.8 1.0 1.0 volume=230547.375 peak=499 ppm1=7.747 ppm2=8.217

assign ( resid 68 and name H
	 )
       ( resid 65 and name HA
	 ) 3.2 1.3 1.3 volume=152575.625 peak=500 ppm1=7.746 ppm2=4.452

assign ( resid 68 and name H
	 )
       ( resid 67 and name HA
	 ) 3.4 1.5 1.5 volume=153729.500 peak=501 ppm1=7.747 ppm2=3.859

assign ( resid 58 and name H
	 )
       ( resid 60 and name H
	 ) 4.2 2.2 2.2 volume=52249.125 peak=504 ppm1=7.730 ppm2=8.509

assign ( resid 58 and name H
	 )
       ( resid 56 and name H
	 ) 4.1 2.1 2.1 volume=53742.250 peak=505 ppm1=7.720 ppm2=8.696

assign ( resid 33 and name H
	 )
       ( resid 34 and name H
	 ) 2.7 0.9 0.9 volume=277762.625 peak=506 ppm1=8.052 ppm2=8.377

assign ( resid 34 and name H
	 )
       ( resid 34 and name HB2
	 ) 2.4 0.7 0.7 volume=661680.125 peak=508 ppm1=8.379 ppm2=2.265

assign ( resid 34 and name H
	 )
       ( resid 34 and name HG3
	 ) 3.2 1.3 1.3 volume=177520.750 peak=509 ppm1=8.377 ppm2=2.470

assign ( resid 114 and name H
	 )
       ( resid 113 and name HG2#
	 ) 4.1 2.2 2.2 volume=153446.000 peak=510 ppm1=8.389 ppm2=1.192

assign ( resid 79 and name H
	 )
       ( resid 79 and name HA
	 ) 2.7 0.9 0.9 volume=328205.375 peak=511 ppm1=8.250 ppm2=4.198

assign ( resid 115 and name H
	 )
       ( resid 115 and name HA
	 ) 2.7 0.9 0.9 volume=325824.125 peak=512 ppm1=8.256 ppm2=4.108

assign ( resid 79 and name H
	 )
       ( resid 79 and name HG1#
	 ) 2.2 0.6 0.6 volume=696311.250 peak=513 ppm1=8.250 ppm2=1.035

assign ( resid 17 and name H
	 )
       ( resid 18 and name H
	 ) 2.9 1.1 1.1 volume=195672.625 peak=515 ppm1=7.925 ppm2=8.771

assign ( resid 24 and name H
	 )
       ( resid 25 and name H
	 ) 2.7 0.9 0.9 volume=201138.125 peak=516 ppm1=8.180 ppm2=8.512

assign ( resid 24 and name H
	 )
       ( resid 23 and name H
	 ) 2.7 0.9 0.9 volume=243757.000 peak=517 ppm1=8.173 ppm2=7.738

assign ( resid 62 and name H
	 )
       ( resid 61 and name HB2
	 ) 3.8 1.8 1.8 volume=302015.750 peak=518 ppm1=8.200 ppm2=2.849

assign ( resid 62 and name H
	 )
       ( resid 62 and name HB2
	 ) 2.6 0.8 0.8 volume=597026.875 peak=520 ppm1=8.199 ppm2=2.281

assign ( resid 62 and name H
	 )
       ( resid 62 and name HB3
	 ) 2.5 0.8 0.8 volume=464896.250 peak=521 ppm1=8.198 ppm2=2.134

assign ( resid 24 and name H
	 )
       ( resid 24 and name HB2
	 ) 2.6 0.9 0.9 volume=367790.125 peak=522 ppm1=8.178 ppm2=1.935

assign ( resid 24 and name H
	 )
       ( resid 24 and name HD1#
	 or resid 24 and name HD2#
	 ) 3.4 1.4 1.4 volume=265664.750 peak=523 ppm1=8.178 ppm2=0.834

assign ( resid 24 and name H
	 )
       ( resid 24 and name HG
	 ) 2.5 0.8 0.8 volume=227078.500 peak=524 ppm1=8.178 ppm2=1.350

assign ( resid 7 and name H
	 )
       ( resid 6 and name HB2
	 or resid 6 and name HB3
	 ) 3.9 1.9 1.9 volume=202844.875 peak=525 ppm1=8.174 ppm2=1.587

assign ( resid 7 and name H
	 )
       ( resid 6 and name H
	 ) 4.3 2.3 2.3 volume=140739.375 peak=526 ppm1=8.174 ppm2=8.333

assign ( resid 67 and name H
	 )
       ( resid 67 and name HD1#
	 or resid 67 and name HD2#
	 ) 3.8 1.8 1.8 volume=207151.125 peak=529 ppm1=8.227 ppm2=0.759

assign ( resid 67 and name H
	 )
       ( resid 67 and name HB3
	 ) 2.3 0.7 0.7 volume=757105.750 peak=530 ppm1=8.226 ppm2=1.598

assign ( resid 86 and name H
	 )
       ( resid 86 and name HB3
	 ) 2.1 0.6 0.6 volume=626409.500 peak=531 ppm1=8.244 ppm2=1.700

assign ( resid 65 and name H
	 )
       ( resid 64 and name H
	 ) 2.7 0.9 0.9 volume=229391.500 peak=532 ppm1=7.996 ppm2=9.021

assign ( resid 65 and name H
	 )
       ( resid 63 and name H
	 ) 2.9 1.1 1.1 volume=454461.375 peak=533 ppm1=7.997 ppm2=8.169

assign ( resid 65 and name H
	 )
       ( resid 64 and name HB2
	 ) 2.7 0.9 0.9 volume=265686.875 peak=534 ppm1=7.992 ppm2=1.994

assign ( resid 65 and name H
	 )
       ( resid 66 and name HB#
	 ) 4.0 2.0 2.0 volume=142624.625 peak=535 ppm1=7.996 ppm2=1.560

assign ( resid 27 and name H
	 )
       ( resid 26 and name H
	 ) 2.6 0.9 0.9 volume=274295.625 peak=537 ppm1=7.972 ppm2=7.812

assign ( resid 27 and name H
	 )
       ( resid 27 and name HA
	 ) 2.5 0.8 0.8 volume=571521.750 peak=538 ppm1=7.973 ppm2=4.098

assign ( resid 19 and name H
	 )
       ( resid 18 and name H
	 ) 3.0 1.2 1.2 volume=144487.500 peak=540 ppm1=7.923 ppm2=8.771

assign ( resid 19 and name H
	 )
       ( resid 19 and name HB2
	 or resid 19 and name HB3
	 ) 2.3 0.6 0.6 volume=793423.625 peak=542 ppm1=7.922 ppm2=1.984

assign ( resid 19 and name H
	 )
       ( resid 16 and name HB#
	 ) 3.9 1.9 1.9 volume=102546.750 peak=543 ppm1=7.920 ppm2=1.467

assign ( resid 20 and name H
	 )
       ( resid 20 and name HB2
	 or resid 20 and name HB3
	 ) 2.2 0.6 0.6 volume=902652.000 peak=544 ppm1=7.926 ppm2=1.991

assign ( resid 22 and name H
	 )
       ( resid 21 and name HB2
	 ) 3.3 1.4 1.4 volume=112201.500 peak=545 ppm1=7.982 ppm2=3.277

assign ( resid 22 and name H
	 )
       ( resid 22 and name HA
	 ) 2.5 0.8 0.8 volume=588691.625 peak=546 ppm1=7.977 ppm2=4.066

assign ( resid 55 and name H
	 )
       ( resid 51 and name HA
	 ) 4.0 2.0 2.0 volume=90410.000 peak=549 ppm1=7.978 ppm2=3.872

assign ( resid 55 and name H
	 )
       ( resid 54 and name HA
	 ) 3.7 1.7 1.7 volume=81662.250 peak=550 ppm1=7.977 ppm2=3.592

assign ( resid 55 and name H
	 )
       ( resid 51 and name HB2
	 or resid 51 and name HB3
	 ) 3.3 1.4 2.7 volume=565731.375 peak=551 ppm1=7.977 ppm2=2.170

assign ( resid 55 and name H
	 )
       ( resid 54 and name HB
	 ) 2.4 0.7 0.7 volume=425759.875 peak=552 ppm1=7.973 ppm2=1.957

assign ( resid 55 and name H
	 )
       ( resid 54 and name HG13
	 ) 4.9 3.1 3.1 volume=76509.875 peak=554 ppm1=7.977 ppm2=1.052

assign ( resid 55 and name H
	 )
       ( resid 54 and name HG2#
	 ) 3.0 1.1 1.1 volume=248222.750 peak=555 ppm1=7.977 ppm2=0.836

assign ( resid 54 and name H
	 )
       ( resid 55 and name H
	 ) 2.6 0.9 0.9 volume=287754.000 peak=556 ppm1=7.612 ppm2=7.979

assign ( resid 56 and name H
	 )
       ( resid 55 and name H
	 ) 2.8 1.0 1.0 volume=220277.375 peak=557 ppm1=8.694 ppm2=7.974

assign ( resid 87 and name H
	 )
       ( resid 86 and name HB3
	 ) 2.7 0.9 0.9 volume=310625.625 peak=558 ppm1=8.045 ppm2=1.723

assign ( resid 87 and name H
	 )
       ( resid 86 and name HA
	 ) 3.7 1.7 1.7 volume=85261.250 peak=559 ppm1=8.046 ppm2=3.692

assign ( resid 87 and name H
	 )
       ( resid 88 and name H
	 ) 2.4 0.7 0.7 volume=487485.625 peak=560 ppm1=8.043 ppm2=8.252

assign ( resid 61 and name H
	 )
       ( resid 62 and name H
	 ) 2.6 0.9 0.9 volume=352790.750 peak=562 ppm1=8.377 ppm2=8.199

assign ( resid 61 and name H
	 )
       ( resid 58 and name HA
	 ) 3.1 1.2 1.2 volume=245321.375 peak=563 ppm1=8.377 ppm2=4.153

assign ( resid 49 and name H
	 )
       ( resid 46 and name HA
	 ) 3.2 1.3 1.3 volume=142083.750 peak=564 ppm1=8.385 ppm2=3.965

assign ( resid 49 and name H
	 )
       ( resid 48 and name HB3
	 ) 3.0 1.1 1.1 volume=214267.750 peak=565 ppm1=8.384 ppm2=3.444

assign ( resid 49 and name H
	 )
       ( resid 49 and name HA
	 ) 3.0 1.1 1.1 volume=182447.375 peak=566 ppm1=8.387 ppm2=3.566

assign ( resid 49 and name H
	 )
       ( resid 49 and name HB
	 ) 2.4 0.7 0.7 volume=407022.875 peak=567 ppm1=8.384 ppm2=2.108

assign ( resid 61 and name H
	 )
       ( resid 59 and name HB#
	 ) 4.1 2.1 2.1 volume=91118.125 peak=568 ppm1=8.379 ppm2=1.586

assign ( resid 61 and name H
	 )
       ( resid 60 and name HG13
	 or resid 60 and name HG12
	 ) 4.2 2.2 2.2 volume=149972.750 peak=571 ppm1=8.387 ppm2=1.161

assign ( resid 49 and name H
	 )
       ( resid 48 and name HA
	 ) 4.0 2.0 2.0 volume=68247.625 peak=572 ppm1=8.387 ppm2=4.521

assign ( resid 32 and name H
	 )
       ( resid 32 and name HB3
	 ) 2.5 0.8 0.8 volume=440801.000 peak=573 ppm1=8.738 ppm2=1.933

assign ( resid 32 and name H
	 )
       ( resid 29 and name HA
	 ) 3.7 1.7 1.7 volume=97949.125 peak=574 ppm1=8.737 ppm2=4.332

assign ( resid 32 and name H
	 )
       ( resid 31 and name HA
	 ) 3.7 1.7 1.7 volume=95107.000 peak=575 ppm1=8.738 ppm2=4.220

assign ( resid 32 and name H
	 )
       ( resid 33 and name H
	 ) 2.7 0.9 0.9 volume=184161.375 peak=576 ppm1=8.737 ppm2=8.041

assign ( resid 29 and name H
	 )
       ( resid 31 and name H
	 ) 4.0 2.1 2.0 volume=90827.625 peak=578 ppm1=8.918 ppm2=7.959

assign ( resid 29 and name H
	 )
       ( resid 28 and name HG1#
	 ) 3.0 1.1 1.1 volume=269259.625 peak=580 ppm1=8.918 ppm2=0.930

assign ( resid 29 and name H
	 )
       ( resid 28 and name HG2#
	 ) 4.1 2.1 2.1 volume=116117.125 peak=581 ppm1=8.920 ppm2=1.116

assign ( resid 29 and name H
	 )
       ( resid 32 and name HB3
	 ) 4.7 2.8 2.8 volume=73468.250 peak=582 ppm1=8.921 ppm2=1.917

assign ( resid 29 and name H
	 )
       ( resid 28 and name HB
	 ) 2.5 0.8 0.8 volume=334295.750 peak=583 ppm1=8.919 ppm2=2.318

assign ( resid 29 and name H
	 )
       ( resid 28 and name HA
	 ) 3.8 1.8 1.8 volume=77982.375 peak=584 ppm1=8.918 ppm2=3.492

assign ( resid 29 and name H
	 )
       ( resid 29 and name HA
	 ) 2.9 1.0 1.0 volume=322283.500 peak=585 ppm1=8.919 ppm2=4.337

assign ( resid 29 and name H
	 )
       ( resid 26 and name HA
	 ) 3.3 1.4 1.4 volume=160773.250 peak=586 ppm1=8.921 ppm2=4.175

assign ( resid 29 and name H
	 )
       ( resid 30 and name HB3
	 or resid 30 and name HB2
	 ) 5.0 3.1 3.1 volume=81289.625 peak=587 ppm1=8.922 ppm2=4.014

assign ( resid 29 and name H
	 )
       ( resid 25 and name HA
	 ) 4.0 2.0 2.0 volume=83750.500 peak=588 ppm1=8.919 ppm2=3.891

assign ( resid 76 and name H
	 )
       ( resid 76 and name HB2
	 or resid 76 and name HB3
	 ) 3.3 1.3 1.3 volume=264319.250 peak=589 ppm1=8.648 ppm2=3.947

assign ( resid 100 and name H
	 )
       ( resid 98 and name HB3
	 ) 4.7 2.8 2.8 volume=103455.250 peak=590 ppm1=8.294 ppm2=2.270

assign ( resid 8 and name H
	 )
       ( resid 7 and name HB#
	 ) 3.1 1.2 1.2 volume=293967.375 peak=591 ppm1=8.195 ppm2=1.383

assign ( resid 6 and name H
	 )
       ( resid 5 and name HA
	 ) 2.6 0.8 0.8 volume=461771.750 peak=592 ppm1=8.266 ppm2=4.412

assign ( resid 6 and name H
	 )
       ( resid 6 and name HA
	 ) 2.8 1.0 1.0 volume=241983.500 peak=593 ppm1=8.265 ppm2=4.285

assign ( resid 6 and name H
	 )
       ( resid 5 and name HB2
	 ) 4.4 2.4 2.4 volume=162058.250 peak=594 ppm1=8.265 ppm2=2.063

assign ( resid 94 and name H
	 )
       ( resid 93 and name HB2
	 ) 3.3 1.4 1.4 volume=119935.750 peak=596 ppm1=8.411 ppm2=1.284

assign ( resid 52 and name H
	 )
       ( resid 52 and name HB3
	 ) 2.3 0.7 0.7 volume=543579.500 peak=597 ppm1=8.120 ppm2=1.898

assign ( resid 52 and name H
	 )
       ( resid 49 and name HA
	 ) 3.4 1.5 1.5 volume=105155.375 peak=599 ppm1=8.123 ppm2=3.572

assign ( resid 52 and name H
	 )
       ( resid 51 and name HA
	 ) 3.5 1.5 1.5 volume=142983.500 peak=600 ppm1=8.120 ppm2=3.864

assign ( resid 85 and name H
	 )
       ( resid 86 and name H
	 ) 2.4 0.7 0.7 volume=349773.250 peak=603 ppm1=8.102 ppm2=8.258

assign ( resid 85 and name H
	 )
       ( resid 86 and name HB3
	 ) 3.3 1.3 1.3 volume=509252.750 peak=606 ppm1=8.100 ppm2=1.705

assign ( resid 57 and name H
	 )
       ( resid 56 and name H
	 ) 2.6 0.9 0.9 volume=206825.375 peak=607 ppm1=8.299 ppm2=8.694

assign ( resid 3 and name H
	 )
       ( resid 3 and name HA
	 ) 3.0 1.1 1.1 volume=313951.250 peak=609 ppm1=8.672 ppm2=4.481

assign ( resid 56 and name H
	 )
       ( resid 57 and name HA
	 ) 4.3 2.4 2.4 volume=99721.375 peak=610 ppm1=8.696 ppm2=3.879

assign ( resid 41 and name H
	 )
       ( resid 39 and name H
	 ) 4.5 2.5 2.5 volume=50145.625 peak=612 ppm1=7.522 ppm2=8.792

assign ( resid 69 and name H
	 )
       ( resid 68 and name HG2
	 ) 4.5 2.5 2.5 volume=52213.250 peak=613 ppm1=7.412 ppm2=2.570

assign ( resid 69 and name H
	 )
       ( resid 69 and name HE3
	 or resid 69 and name HE2
	 ) 7.1 6.3 6.3 volume=29998.375 peak=614 ppm1=7.415 ppm2=2.968

assign ( resid 64 and name H
	 )
       ( resid 60 and name HA
	 ) 4.4 2.5 2.5 volume=30033.000 peak=615 ppm1=9.018 ppm2=3.477

assign ( resid 14 and name H
	 )
       ( resid 15 and name H
	 ) 3.7 1.7 1.7 volume=36622.125 peak=616 ppm1=9.173 ppm2=8.376

assign ( resid 62 and name H
	 )
       ( resid 64 and name H
	 ) 4.3 2.3 2.3 volume=56051.125 peak=617 ppm1=8.192 ppm2=9.025

assign ( resid 101 and name H
	 )
       ( resid 97 and name HA
	 ) 3.9 1.9 1.9 volume=58689.875 peak=618 ppm1=8.563 ppm2=3.688

assign ( resid 103 and name H
	 )
       ( resid 100 and name H
	 ) 4.5 2.5 2.5 volume=42521.125 peak=619 ppm1=7.545 ppm2=8.280

assign ( resid 72 and name H
	 )
       ( resid 72 and name HB3
	 ) 3.2 1.3 1.3 volume=171992.750 peak=620 ppm1=8.653 ppm2=1.554

assign ( resid 28 and name H
	 )
       ( resid 24 and name HB2
	 ) 4.5 2.6 2.6 volume=57476.000 peak=621 ppm1=8.830 ppm2=1.915

assign ( resid 67 and name H
	 )
       ( resid 67 and name HB2
	 ) 2.4 0.7 0.7 volume=456046.000 peak=622 ppm1=8.228 ppm2=1.898

assign ( resid 32 and name H
	 )
       ( resid 28 and name HA
	 ) 4.4 2.4 2.4 volume=44367.125 peak=623 ppm1=8.735 ppm2=3.497

assign ( resid 36 and name H
	 )
       ( resid 34 and name H
	 ) 4.4 2.5 2.5 volume=31026.625 peak=625 ppm1=7.341 ppm2=8.388

assign ( resid 35 and name H
	 )
       ( resid 34 and name HG2
	 ) 5.5 3.7 3.7 volume=60720.000 peak=626 ppm1=8.175 ppm2=2.473

assign ( resid 16 and name H
	 )
       ( resid 18 and name H
	 ) 4.3 2.3 2.3 volume=46888.125 peak=628 ppm1=8.044 ppm2=8.793

assign ( resid 98 and name H
	 )
       ( resid 97 and name HA
	 ) 3.8 1.8 1.8 volume=77771.250 peak=629 ppm1=7.923 ppm2=3.679

assign ( resid 18 and name H
	 )
       ( resid 18 and name HA
	 ) 2.9 1.0 1.0 volume=268323.625 peak=630 ppm1=8.768 ppm2=4.066

assign ( resid 21 and name H
	 )
       ( resid 23 and name HB3
	 ) 4.8 2.9 2.9 volume=50956.750 peak=631 ppm1=9.053 ppm2=2.292

assign ( resid 21 and name H
	 )
       ( resid 23 and name H
	 ) 4.5 2.6 2.6 volume=42160.500 peak=632 ppm1=9.051 ppm2=7.736

assign ( resid 21 and name H
	 )
       ( resid 18 and name H
	 ) 4.7 2.8 2.8 volume=34289.250 peak=633 ppm1=9.046 ppm2=8.753

assign ( resid 37 and name H
	 )
       ( resid 35 and name H
	 ) 4.9 2.9 2.9 volume=48777.500 peak=634 ppm1=7.435 ppm2=8.163

assign ( resid 64 and name H
	 )
       ( resid 62 and name HG3
	 ) 5.0 3.2 3.2 volume=56481.375 peak=635 ppm1=9.023 ppm2=2.259

assign ( resid 34 and name H
	 )
       ( resid 32 and name H
	 ) 4.3 2.4 2.4 volume=45494.250 peak=636 ppm1=8.373 ppm2=8.750

assign ( resid 81 and name H
	 )
       ( resid 79 and name HB
	 ) 4.5 2.5 2.5 volume=37812.625 peak=638 ppm1=8.612 ppm2=2.203

assign ( resid 73 and name H
	 )
       ( resid 72 and name HG2
	 ) 6.2 4.8 4.8 volume=44580.125 peak=639 ppm1=8.004 ppm2=1.103

assign ( resid 73 and name H
	 )
       ( resid 72 and name HG3
	 ) 5.4 3.6 3.6 volume=54197.750 peak=640 ppm1=8.004 ppm2=1.215

assign ( resid 44 and name HD22
	 )
       ( resid 44 and name HB2
	 ) 3.3 1.4 1.4 volume=110788.250 peak=642 ppm1=7.043 ppm2=2.809

assign ( resid 44 and name HD22
	 )
       ( resid 44 and name HB3
	 ) 3.2 1.3 1.3 volume=149371.250 peak=643 ppm1=7.043 ppm2=3.009

assign ( resid 44 and name HD21
	 )
       ( resid 44 and name HB2
	 ) 4.5 2.5 2.5 volume=160288.125 peak=644 ppm1=7.795 ppm2=2.808

assign ( resid 44 and name HD21
	 )
       ( resid 44 and name HB3
	 ) 4.2 2.2 2.2 volume=241686.500 peak=645 ppm1=7.796 ppm2=3.008

assign ( resid 44 and name HD21
	 )
       ( resid 44 and name HA
	 ) 5.3 3.5 3.5 volume=61700.250 peak=646 ppm1=7.796 ppm2=4.520

assign ( resid 44 and name HD22
	 )
       ( resid 44 and name H
	 ) 4.9 3.1 3.1 volume=55259.000 peak=647 ppm1=7.043 ppm2=9.008

assign ( resid 44 and name HD21
	 )
       ( resid 44 and name H
	 ) 4.7 2.8 2.8 volume=77640.125 peak=648 ppm1=7.797 ppm2=9.009

assign ( resid 44 and name HD22
	 )
       ( resid 44 and name HA
	 ) 5.4 3.7 3.7 volume=46416.625 peak=649 ppm1=7.043 ppm2=4.524

assign ( resid 27 and name HE21
	 )
       ( resid 27 and name HG2
	 ) 3.2 1.3 1.3 volume=142536.875 peak=650 ppm1=6.791 ppm2=2.690

assign ( resid 27 and name HE22
	 )
       ( resid 27 and name HG2
	 ) 3.9 1.9 1.9 volume=242811.250 peak=651 ppm1=7.255 ppm2=2.691

assign ( resid 27 and name HE22
	 )
       ( resid 27 and name HB3
	 ) 4.4 2.4 2.4 volume=146621.500 peak=653 ppm1=7.255 ppm2=2.134

assign ( resid 27 and name HE21
	 )
       ( resid 27 and name HB3
	 ) 3.1 1.2 1.2 volume=90159.250 peak=655 ppm1=6.793 ppm2=2.133

assign ( resid 27 and name HE21
	 )
       ( resid 27 and name HG3
	 ) 3.0 1.1 1.1 volume=118099.125 peak=656 ppm1=6.792 ppm2=2.430

assign ( resid 22 and name HE22
	 )
       ( resid 22 and name HB2
	 or resid 22 and name HB3
	 ) 5.2 3.4 3.4 volume=48539.375 peak=657 ppm1=6.912 ppm2=2.281

assign ( resid 22 and name HE22
	 )
       ( resid 22 and name HA
	 ) 4.8 2.9 2.9 volume=78965.375 peak=658 ppm1=6.912 ppm2=4.049

assign ( resid 22 and name HE21
	 )
       ( resid 22 and name HB2
	 or resid 22 and name HB3
	 ) 5.2 3.4 3.4 volume=61211.375 peak=659 ppm1=8.060 ppm2=2.275

assign ( resid 22 and name HE22
	 )
       ( resid 22 and name HG3
	 or resid 22 and name HG2
	 ) 2.6 0.9 0.9 volume=295769.750 peak=660 ppm1=6.911 ppm2=2.509

assign ( resid 22 and name HE21
	 )
       ( resid 22 and name HG3
	 or resid 22 and name HG2
	 ) 3.5 1.6 1.6 volume=433175.750 peak=661 ppm1=8.062 ppm2=2.508

assign ( resid 63 and name H
	 )
       ( resid 60 and name HA
	 ) 3.4 1.4 1.4 volume=99470.500 peak=664 ppm1=8.172 ppm2=3.462

assign ( resid 50 and name H
	 )
       ( resid 49 and name HA
	 ) 3.9 1.9 1.9 volume=68353.000 peak=665 ppm1=8.458 ppm2=3.576

assign ( resid 32 and name H
	 )
       ( resid 30 and name H
	 ) 4.5 2.6 2.6 volume=44304.500 peak=666 ppm1=8.736 ppm2=8.208

assign ( resid 36 and name H
	 )
       ( resid 33 and name HA
	 ) 3.6 1.6 1.6 volume=105226.750 peak=667 ppm1=7.348 ppm2=4.222

assign ( resid 63 and name HD22
	 )
       ( resid 63 and name HD21
	 ) 1.7 0.3 0.3 volume=606672.875 peak=668 ppm1=8.075 ppm2=6.048

assign ( resid 68 and name H
	 )
       ( resid 67 and name HB2
	 ) 2.7 0.9 0.9 volume=203228.125 peak=670 ppm1=7.747 ppm2=1.878

assign ( resid 68 and name H
	 )
       ( resid 68 and name HB2
	 or resid 68 and name HB3
	 ) 2.4 0.7 0.7 volume=682738.375 peak=671 ppm1=7.747 ppm2=2.278

assign ( resid 94 and name H
	 )
       ( resid 93 and name H
	 ) 2.4 0.7 0.7 volume=122001.125 peak=672 ppm1=8.410 ppm2=8.198

assign ( resid 103 and name H
	 )
       ( resid 101 and name HB2
	 ) 4.9 3.0 3.0 volume=62682.375 peak=673 ppm1=7.543 ppm2=2.245

assign ( resid 81 and name H
	 )
       ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 ) 4.0 2.0 2.0 volume=85364.875 peak=674 ppm1=8.611 ppm2=1.041

assign ( resid 31 and name H
	 )
       ( resid 28 and name HG1#
	 ) 3.4 1.4 1.4 volume=174348.500 peak=675 ppm1=7.943 ppm2=0.961

assign ( resid 93 and name H
	 )
       ( resid 93 and name HB2
	 ) 2.9 1.1 1.1 volume=165295.125 peak=676 ppm1=8.204 ppm2=1.281

assign ( resid 59 and name H
	 )
       ( resid 62 and name HB2
	 ) 3.8 1.8 1.8 volume=232299.500 peak=678 ppm1=7.634 ppm2=2.263

assign ( resid 119 and name H
	 )
       ( resid 119 and name HB
	 ) 3.2 1.3 1.3 volume=207191.500 peak=680 ppm1=7.774 ppm2=4.027

assign ( resid 119 and name H
	 )
       ( resid 119 and name HG1
	 ) 3.7 1.7 1.7 volume=157303.500 peak=681 ppm1=7.771 ppm2=1.151

assign ( resid 1 and name H#
	 )
       ( resid 1 and name HA3
	 or resid 1 and name HA2
	 ) 2.2 0.6 0.6 volume=421195.000 peak=682 ppm1=8.460 ppm2=3.966

assign ( resid 1 and name H#
	 )
       ( resid 2 and name HA
	 ) 3.2 1.3 1.3 volume=233577.000 peak=683 ppm1=8.460 ppm2=4.488

assign ( resid 11 and name H
	 )
       ( resid 10 and name HG2
	 ) 4.9 3.0 3.0 volume=94783.250 peak=684 ppm1=8.469 ppm2=2.362

assign ( resid 6 and name H
	 )
       ( resid 6 and name HB2
	 or resid 6 and name HB3
	 ) 2.9 1.0 1.0 volume=370304.000 peak=685 ppm1=8.268 ppm2=1.589

assign ( resid 69 and name H
	 )
       ( resid 67 and name HA
	 ) 4.0 2.0 2.0 volume=51700.875 peak=686 ppm1=7.415 ppm2=3.858

assign ( resid 69 and name H
	 )
       ( resid 65 and name HA
	 ) 4.0 2.0 2.0 volume=51828.125 peak=687 ppm1=7.417 ppm2=4.446

assign ( resid 44 and name H
	 )
       ( resid 43 and name HG2
	 ) 4.4 2.5 2.5 volume=156230.125 peak=688 ppm1=9.009 ppm2=2.220

assign ( resid 56 and name H
	 )
       ( resid 56 and name HB2
	 ) 2.9 1.1 1.1 volume=194783.750 peak=689 ppm1=8.694 ppm2=1.194

assign ( resid 3 and name H
	 )
       ( resid 3 and name HG3
	 ) 4.0 2.0 2.0 volume=87192.500 peak=690 ppm1=8.680 ppm2=2.596

assign ( resid 56 and name H
	 )
       ( resid 56 and name HD2#
	 or resid 56 and name HD1#
	 ) 3.0 1.1 1.1 volume=400790.125 peak=691 ppm1=8.695 ppm2=0.839

assign ( resid 56 and name H
	 )
       ( resid 57 and name HB2
	 or resid 57 and name HB3
	 ) 3.4 1.4 1.4 volume=374640.375 peak=692 ppm1=8.694 ppm2=1.961

assign ( resid 56 and name H
	 )
       ( resid 59 and name HB#
	 ) 3.9 1.9 1.9 volume=83282.375 peak=693 ppm1=8.697 ppm2=1.583

assign ( resid 18 and name H
	 )
       ( resid 16 and name HB#
	 ) 3.7 1.7 1.7 volume=148258.000 peak=694 ppm1=8.770 ppm2=1.459

assign ( resid 111 and name H
	 )
       ( resid 112 and name H
	 ) 2.9 1.1 1.1 volume=247390.000 peak=695 ppm1=8.362 ppm2=8.101

assign ( resid 5 and name H
	 )
       ( resid 5 and name HA
	 ) 3.3 1.4 1.4 volume=140848.500 peak=696 ppm1=8.293 ppm2=4.410

assign ( resid 34 and name H
	 )
       ( resid 32 and name HG
	 ) 5.1 3.2 3.2 volume=58462.000 peak=697 ppm1=8.376 ppm2=1.545

assign ( resid 39 and name H
	 )
       ( resid 39 and name HG3
	 ) 4.3 2.3 2.3 volume=146995.875 peak=698 ppm1=8.799 ppm2=2.296

assign ( resid 52 and name H
	 )
       ( resid 31 and name HD2#
	 ) 4.0 2.0 2.0 volume=134813.375 peak=699 ppm1=8.120 ppm2=0.850

assign ( resid 94 and name H
	 )
       ( resid 93 and name HD1#
	 ) 4.7 2.8 2.8 volume=72698.625 peak=700 ppm1=8.408 ppm2=0.829

assign ( resid 113 and name H
	 )
       ( resid 112 and name HG12
	 ) 5.1 3.3 3.3 volume=72498.875 peak=701 ppm1=8.226 ppm2=1.446

assign ( resid 26 and name H
	 )
       ( resid 24 and name HD1#
	 ) 4.9 3.0 3.0 volume=52884.625 peak=702 ppm1=7.813 ppm2=0.827

assign ( resid 20 and name H
	 )
       ( resid 20 and name HA
	 ) 2.7 0.9 0.9 volume=381371.250 peak=703 ppm1=7.927 ppm2=4.131

assign ( resid 25 and name H
	 )
       ( resid 22 and name HA
	 ) 2.9 1.0 1.0 volume=337796.500 peak=704 ppm1=8.505 ppm2=4.055

assign ( resid 104 and name H
	 )
       ( resid 105 and name HA
	 ) 4.2 2.2 2.2 volume=130458.375 peak=705 ppm1=8.530 ppm2=3.892

assign ( resid 27 and name HE22
	 )
       ( resid 27 and name HE21
	 ) 1.4 0.3 0.3 volume=3441689.500 peak=707 ppm1=7.255 ppm2=6.791

assign ( resid 89 and name H
	 )
       ( resid 88 and name HB2
	 ) 2.9 1.0 1.0 volume=173933.625 peak=709 ppm1=7.788 ppm2=2.338

assign ( resid 92 and name H
	 )
       ( resid 91 and name HA
	 ) 3.6 1.6 1.6 volume=112748.375 peak=710 ppm1=7.739 ppm2=3.949

assign ( resid 92 and name H
	 )
       ( resid 91 and name HB
	 ) 2.8 1.0 1.0 volume=222448.250 peak=711 ppm1=7.738 ppm2=4.283

assign ( resid 76 and name H
	 )
       ( resid 75 and name H
	 ) 4.6 2.6 2.6 volume=44999.250 peak=713 ppm1=8.649 ppm2=7.857

assign ( resid 107 and name H
	 )
       ( resid 107 and name HD1#
	 ) 3.3 1.3 1.3 volume=448917.250 peak=714 ppm1=8.234 ppm2=0.949

assign ( resid 44 and name HD22
	 )
       ( resid 44 and name HD21
	 ) 1.5 0.3 0.3 volume=4310105.500 peak=715 ppm1=7.043 ppm2=7.798

assign ( resid 44 and name HD21
	 )
       ( resid 43 and name HB3
	 ) 5.0 3.1 3.1 volume=36619.125 peak=717 ppm1=7.797 ppm2=2.387

assign ( resid 63 and name HD21
	 )
       ( resid 63 and name HB3
	 or resid 63 and name HB2
	 ) 3.8 1.8 1.8 volume=164113.500 peak=718 ppm1=6.043 ppm2=2.882

assign ( resid 63 and name HD21
	 )
       ( resid 20 and name HB2
	 ) 3.6 1.6 1.6 volume=169748.375 peak=719 ppm1=6.042 ppm2=2.002

assign ( resid 63 and name HD21
	 )
       ( resid 63 and name HA
	 ) 4.3 2.3 2.3 volume=89752.750 peak=720 ppm1=6.040 ppm2=4.469

assign ( resid 63 and name HD22
	 )
       ( resid 63 and name HA
	 ) 4.2 2.2 2.2 volume=75893.500 peak=721 ppm1=8.069 ppm2=4.480

assign ( resid 63 and name HD22
	 )
       ( resid 63 and name HB3
	 or resid 63 and name HB2
	 ) 2.7 0.9 0.9 volume=159113.875 peak=722 ppm1=8.075 ppm2=2.891

assign ( resid 63 and name HD22
	 )
       ( resid 20 and name HB2
	 or resid 20 and name HB3
	 ) 4.2 2.2 2.2 volume=111092.625 peak=723 ppm1=8.072 ppm2=1.994

assign ( resid 111 and name H
	 )
       ( resid 111 and name HB2
	 ) 2.6 0.9 0.9 volume=386375.625 peak=724 ppm1=8.362 ppm2=2.733

assign ( resid 111 and name H
	 )
       ( resid 111 and name HB3
	 ) 3.3 1.4 1.4 volume=270324.875 peak=725 ppm1=8.367 ppm2=2.848

assign ( resid 42 and name H
	 )
       ( resid 41 and name HG
	 ) 3.6 1.7 1.7 volume=147732.500 peak=726 ppm1=7.864 ppm2=1.599

assign ( resid 42 and name H
	 )
       ( resid 41 and name HD1#
	 ) 4.3 2.3 2.3 volume=90744.125 peak=727 ppm1=7.861 ppm2=0.869

assign ( resid 89 and name H
	 )
       ( resid 86 and name HA
	 ) 3.8 1.8 1.8 volume=74069.125 peak=728 ppm1=7.787 ppm2=3.686

assign ( resid 96 and name H
	 )
       ( resid 93 and name HA
	 ) 3.6 1.6 1.6 volume=78119.250 peak=729 ppm1=8.602 ppm2=3.959

assign ( resid 106 and name H
	 )
       ( resid 103 and name HA
	 ) 3.1 1.2 1.2 volume=187182.375 peak=731 ppm1=7.907 ppm2=4.341

assign ( resid 27 and name HE22
	 )
       ( resid 24 and name HD1#
	 ) 2.8 1.0 1.0 volume=157215.750 peak=732 ppm1=7.254 ppm2=0.832

assign ( resid 27 and name HE21
	 )
       ( resid 24 and name HD1#
	 ) 3.3 1.4 1.4 volume=164528.000 peak=733 ppm1=6.791 ppm2=0.829

assign ( resid 115 and name H
	 )
       ( resid 115 and name HG1#
	 ) 2.1 0.6 0.6 volume=645467.375 peak=734 ppm1=8.255 ppm2=0.963

assign ( resid 42 and name H
	 )
       ( resid 43 and name HD3
	 ) 4.9 3.0 3.0 volume=100781.750 peak=735 ppm1=7.861 ppm2=3.950

assign ( resid 27 and name H
	 )
       ( resid 27 and name HG2
	 ) 3.9 1.9 1.9 volume=266629.875 peak=736 ppm1=7.972 ppm2=2.685

assign ( resid 27 and name HE22
	 )
       ( resid 27 and name HA
	 ) 5.4 4.2 3.6 volume=167916.750 peak=737 ppm1=7.249 ppm2=4.112

assign ( resid 93 and name H
	 )
       ( resid 93 and name HG
	 ) 2.2 0.6 0.6 volume=503596.750 peak=738 ppm1=8.206 ppm2=1.932

assign ( resid 86 and name H
	 )
       ( resid 14 and name HD1#
	 ) 3.3 1.3 1.3 volume=88481.500 peak=739 ppm1=8.246 ppm2=0.634

assign ( resid 86 and name H
	 )
       ( resid 14 and name HD2#
	 ) 3.7 1.7 1.7 volume=127493.875 peak=740 ppm1=8.246 ppm2=0.701

assign ( resid 57 and name H
	 )
       ( resid 58 and name HG3
	 ) 4.8 2.9 2.9 volume=59348.500 peak=741 ppm1=8.297 ppm2=2.578

assign ( resid 21 and name HD22
	 )
       ( resid 93 and name HD1#
	 ) 3.1 1.2 1.2 volume=99317.875 peak=742 ppm1=9.777 ppm2=0.836

assign ( resid 21 and name HD22
	 )
       ( resid 92 and name HD1#
	 ) 3.8 1.8 1.8 volume=76467.125 peak=743 ppm1=9.774 ppm2=0.930

assign ( resid 21 and name HD22
	 )
       ( resid 17 and name HG
	 ) 3.1 1.2 1.2 volume=79921.750 peak=744 ppm1=9.776 ppm2=1.717

assign ( resid 21 and name HD22
	 )
       ( resid 21 and name HB2
	 or resid 21 and name HB3
	 ) 4.6 2.7 2.7 volume=60552.250 peak=745 ppm1=9.778 ppm2=3.274

assign ( resid 83 and name HD21
	 )
       ( resid 83 and name HA
	 ) 5.0 3.1 3.1 volume=52919.000 peak=746 ppm1=7.768 ppm2=4.319

assign ( resid 83 and name HD22
	 )
       ( resid 83 and name HA
	 ) 5.0 3.2 3.2 volume=51923.750 peak=747 ppm1=7.098 ppm2=4.322

assign ( resid 83 and name HD21
	 )
       ( resid 83 and name HB2
	 or resid 83 and name HB3
	 ) 2.4 0.7 0.7 volume=468824.125 peak=748 ppm1=7.768 ppm2=2.875

assign ( resid 83 and name HD22
	 )
       ( resid 83 and name HB2
	 or resid 83 and name HB3
	 ) 3.6 1.6 1.6 volume=347971.750 peak=749 ppm1=7.098 ppm2=2.876

assign ( resid 51 and name HE22
	 )
       ( resid 54 and name HD1#
	 ) 4.8 2.9 2.9 volume=33100.500 peak=750 ppm1=7.559 ppm2=0.587

assign ( resid 51 and name HE21
	 )
       ( resid 51 and name HB2
	 or resid 51 and name HB3
	 ) 5.8 4.3 4.3 volume=43722.500 peak=751 ppm1=6.965 ppm2=2.193

assign ( resid 51 and name HE21
	 )
       ( resid 51 and name HG2
	 ) 4.3 2.3 2.3 volume=178438.125 peak=752 ppm1=6.971 ppm2=2.507

assign ( resid 51 and name HE22
	 )
       ( resid 51 and name HG2
	 ) 2.7 0.9 0.9 volume=492392.375 peak=754 ppm1=7.556 ppm2=2.563

assign ( resid 101 and name HE21
	 )
       ( resid 105 and name HG2#
	 ) 3.8 1.8 1.8 volume=87249.750 peak=755 ppm1=6.858 ppm2=0.984

assign ( resid 101 and name HE22
	 )
       ( resid 101 and name HB2
	 ) 5.4 3.7 3.7 volume=70440.375 peak=756 ppm1=7.434 ppm2=2.252

assign ( resid 101 and name HE22
	 )
       ( resid 101 and name HG3
	 or resid 101 and name HG2
	 ) 3.8 1.8 1.8 volume=345443.875 peak=757 ppm1=7.434 ppm2=2.464

assign ( resid 101 and name HE21
	 )
       ( resid 101 and name HB2
	 ) 5.0 3.1 3.1 volume=81204.250 peak=758 ppm1=6.852 ppm2=2.252

assign ( resid 101 and name HE22
	 )
       ( resid 101 and name HA
	 ) 4.8 2.9 2.9 volume=55334.250 peak=759 ppm1=7.430 ppm2=4.118

assign ( resid 101 and name HE22
	 )
       ( resid 101 and name HB3
	 ) 6.1 4.7 4.7 volume=35979.750 peak=760 ppm1=7.436 ppm2=2.100

assign ( resid 101 and name HE22
	 )
       ( resid 105 and name HG1#
	 ) 3.2 1.3 1.3 volume=165003.625 peak=761 ppm1=7.434 ppm2=1.133

assign ( resid 101 and name HE21
	 )
       ( resid 105 and name HG1#
	 ) 3.1 1.2 1.2 volume=99927.500 peak=762 ppm1=6.863 ppm2=1.151

assign ( resid 21 and name H
	 )
       ( resid 17 and name HD1#
	 ) 3.3 1.4 1.4 volume=130974.625 peak=763 ppm1=9.047 ppm2=0.903

assign ( resid 63 and name HD21
	 )
       ( resid 24 and name HD2#
	 ) 2.4 0.7 0.7 volume=278745.500 peak=764 ppm1=6.042 ppm2=0.869

assign ( resid 63 and name HD22
	 )
       ( resid 24 and name HD2#
	 ) 2.5 0.8 0.8 volume=268623.500 peak=765 ppm1=8.076 ppm2=0.863

assign ( resid 52 and name HE
	 )
       ( resid 52 and name HG3
	 or resid 52 and name HG2
	 ) 3.2 1.3 1.3 volume=107393.875 peak=767 ppm1=7.178 ppm2=1.611

assign ( resid 52 and name HE
	 )
       ( resid 52 and name HD3
	 ) 3.5 1.6 1.6 volume=63985.875 peak=769 ppm1=7.177 ppm2=3.268

assign ( resid 52 and name HE
	 )
       ( resid 52 and name HA
	 ) 5.7 4.0 4.0 volume=53179.000 peak=770 ppm1=7.178 ppm2=4.037

assign ( resid 20 and name HE
	 )
       ( resid 24 and name HD2#
	 ) 5.0 3.1 3.1 volume=41301.750 peak=772 ppm1=7.320 ppm2=0.849

assign ( resid 20 and name HE
	 )
       ( resid 20 and name HB2
	 or resid 20 and name HB3
	 ) 4.1 2.1 2.1 volume=78202.625 peak=774 ppm1=7.316 ppm2=1.993

assign ( resid 20 and name HE
	 )
       ( resid 20 and name HD3
	 ) 3.1 1.2 1.2 volume=127286.125 peak=775 ppm1=7.315 ppm2=3.180

assign ( resid 20 and name HE
	 )
       ( resid 20 and name HD2
	 ) 3.5 1.6 1.6 volume=73342.875 peak=776 ppm1=7.314 ppm2=3.355

assign ( resid 100 and name H
	 )
       ( resid 100 and name HG
	 ) 2.6 0.8 0.8 volume=227560.625 peak=777 ppm1=8.292 ppm2=1.526

assign ( resid 50 and name HD#
	 )
       ( resid 47 and name HA
	 ) 4.2 2.3 2.3 volume=92257.000 peak=783 ppm1=7.075 ppm2=4.185

assign ( resid 82 and name HD#
	 )
       ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 ) 4.1 2.1 2.1 volume=61707.500 peak=788 ppm1=7.080 ppm2=1.041

assign ( resid 82 and name HD#
	 )
       ( resid 86 and name HG3
	 ) 4.9 3.0 3.0 volume=12245.500 peak=791 ppm1=7.076 ppm2=1.162

assign ( resid 82 and name HD#
	 )
       ( resid 86 and name HD3
	 or resid 86 and name HD2
	 ) 4.4 2.4 2.4 volume=17946.500 peak=792 ppm1=7.077 ppm2=1.334

assign ( resid 82 and name HD#
	 )
       ( resid 79 and name HB
	 ) 5.0 3.2 3.1 volume=32193.000 peak=793 ppm1=7.080 ppm2=2.207

assign ( resid 50 and name HE#
	 )
       ( resid 50 and name HB2
	 ) 4.9 3.1 3.0 volume=18733.000 peak=800 ppm1=6.840 ppm2=3.136

assign ( resid 50 and name HE#
	 )
       ( resid 50 and name HB3
	 ) 4.9 3.1 3.0 volume=16308.500 peak=801 ppm1=6.842 ppm2=3.256

assign ( resid 50 and name HE#
	 )
       ( resid 51 and name HA
	 ) 4.8 3.0 2.9 volume=22253.500 peak=803 ppm1=6.840 ppm2=3.851

assign ( resid 51 and name HA
	 )
       ( resid 54 and name HD1#
	 ) 3.0 1.1 1.1 volume=46172.500 peak=807 ppm1=3.857 ppm2=0.578

assign ( resid 90 and name HE1
	 )
       ( resid 64 and name HA
	 ) 4.9 3.2 3.0 volume=15206.500 peak=811 ppm1=8.094 ppm2=3.853

assign ( resid 49 and name HA
	 )
       ( resid 48 and name HD2
	 ) 4.2 2.2 2.2 volume=13966.000 peak=814 ppm1=3.554 ppm2=7.200

assign ( resid 14 and name HD1#
	 )
       ( resid 82 and name HD#
	 ) 3.6 1.7 1.7 volume=36713.000 peak=820 ppm1=0.634 ppm2=7.079

assign ( resid 48 and name HE1
	 )
       ( resid 48 and name HA
	 ) 6.0 4.5 4.5 volume=10880.500 peak=821 ppm1=8.191 ppm2=4.515

assign ( resid 90 and name HE1
	 )
       ( resid 68 and name HG3
	 ) 4.2 2.2 2.2 volume=15152.500 peak=823 ppm1=8.135 ppm2=2.623

assign ( resid 54 and name HD1#
	 )
       ( resid 54 and name HA
	 ) 3.5 1.5 1.5 volume=44351.500 peak=825 ppm1=0.578 ppm2=3.597

assign ( resid 106 and name HG2#
	 )
       ( resid 106 and name HB
	 ) 1.9 0.4 0.4 volume=54550.000 peak=826 ppm1=1.298 ppm2=4.413

assign ( resid 106 and name HG2#
	 )
       ( resid 106 and name HA
	 ) 2.3 0.7 0.7 volume=219023.500 peak=827 ppm1=1.302 ppm2=4.063

assign ( resid 91 and name HA
	 )
       ( resid 94 and name HB2
	 ) 3.0 1.1 1.1 volume=50854.500 peak=835 ppm1=3.950 ppm2=2.786

assign ( resid 111 and name HB2
	 )
       ( resid 111 and name HA
	 ) 3.2 1.2 1.2 volume=45395.500 peak=837 ppm1=2.738 ppm2=4.702

assign ( resid 12 and name HA
	 )
       ( resid 13 and name HA
	 ) 4.9 3.3 3.1 volume=7434.500 peak=844 ppm1=5.044 ppm2=4.355

assign ( resid 79 and name HA
	 )
       ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 ) 2.0 0.5 0.5 volume=198944.500 peak=847 ppm1=4.206 ppm2=1.040

assign ( resid 79 and name HB
	 )
       ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 ) 1.8 0.4 0.4 volume=176769.000 peak=848 ppm1=2.213 ppm2=1.040

assign ( resid 92 and name HD1#
	 )
       ( resid 21 and name HB2
	 or resid 21 and name HB3
	 ) 2.9 1.1 1.1 volume=41426.500 peak=856 ppm1=0.953 ppm2=3.264

assign ( resid 82 and name HE#
	 )
       ( resid 14 and name HG
	 ) 5.1 3.3 3.2 volume=7367.500 peak=857 ppm1=6.788 ppm2=1.435

assign ( resid 117 and name HA
	 )
       ( resid 117 and name HB#
	 ) 2.3 0.7 0.7 volume=87961424.000 peak=859 ppm1=4.610 ppm2=1.370

assign ( resid 78 and name HG2
	 or resid 78 and name HG3
	 )
       ( resid 78 and name HD3
	 ) 2.6 0.8 0.8 volume=124467736.000 peak=861 ppm1=2.035 ppm2=3.809

assign ( resid 78 and name HG2
	 )
       ( resid 78 and name HD2
	 ) 2.5 0.8 0.8 volume=166034400.000 peak=862 ppm1=2.039 ppm2=3.659

assign ( resid 115 and name HA
	 )
       ( resid 115 and name HB
	 ) 2.4 0.7 0.7 volume=201286528.000 peak=865 ppm1=4.096 ppm2=2.089

assign ( resid 115 and name HG2#
	 )
       ( resid 115 and name HA
	 ) 2.1 0.6 0.6 volume=348201952.000 peak=866 ppm1=0.946 ppm2=4.093

assign ( resid 115 and name HG2#
	 or resid 115 and name HG1#
	 )
       ( resid 115 and name HB
	 ) 1.9 0.4 0.4 volume=338529888.000 peak=867 ppm1=0.944 ppm2=2.088

assign ( resid 28 and name HG1#
	 )
       ( resid 28 and name HB
	 ) 2.0 0.5 0.5 volume=102551528.000 peak=869 ppm1=0.938 ppm2=2.330

assign ( resid 114 and name HG2
	 or resid 114 and name HG3
	 )
       ( resid 114 and name HA
	 ) 2.7 0.9 0.9 volume=213687440.000 peak=870 ppm1=2.252 ppm2=4.349

assign ( resid 114 and name HB3
	 )
       ( resid 114 and name HB2
	 ) 1.4 0.3 0.3 volume=1217801600.000 peak=872 ppm1=1.957 ppm2=2.061

assign ( resid 114 and name HG3
	 )
       ( resid 114 and name HB3
	 ) 2.5 0.8 0.8 volume=172182848.000 peak=873 ppm1=2.243 ppm2=1.955

assign ( resid 114 and name HG3
	 )
       ( resid 114 and name HB2
	 ) 2.6 0.9 0.9 volume=221584160.000 peak=874 ppm1=2.246 ppm2=2.060

assign ( resid 113 and name HB
	 )
       ( resid 113 and name HA
	 ) 2.2 0.6 0.6 volume=531075904.000 peak=875 ppm1=4.190 ppm2=4.336

assign ( resid 112 and name HA
	 )
       ( resid 112 and name HG2#
	 ) 2.0 0.5 0.5 volume=378870848.000 peak=878 ppm1=4.241 ppm2=0.896

assign ( resid 112 and name HG13
	 )
       ( resid 112 and name HA
	 ) 2.8 1.0 1.0 volume=128685680.000 peak=879 ppm1=1.171 ppm2=4.241

assign ( resid 112 and name HA
	 )
       ( resid 112 and name HB
	 ) 2.5 0.8 0.8 volume=277325984.000 peak=880 ppm1=4.244 ppm2=1.914

assign ( resid 112 and name HG2#
	 )
       ( resid 112 and name HB
	 ) 1.8 0.4 0.4 volume=332907424.000 peak=881 ppm1=0.887 ppm2=1.914

assign ( resid 112 and name HG13
	 )
       ( resid 112 and name HB
	 ) 2.5 0.8 0.8 volume=82460280.000 peak=882 ppm1=1.174 ppm2=1.914

assign ( resid 112 and name HG12
	 )
       ( resid 112 and name HB
	 ) 2.8 1.0 1.0 volume=109433128.000 peak=883 ppm1=1.446 ppm2=1.914

assign ( resid 112 and name HG2#
	 )
       ( resid 112 and name HG12
	 ) 2.1 0.6 0.6 volume=156426608.000 peak=885 ppm1=0.867 ppm2=1.443

assign ( resid 112 and name HG12
	 )
       ( resid 112 and name HG13
	 ) 1.4 0.2 0.5 volume=811909888.000 peak=886 ppm1=1.436 ppm2=1.152

assign ( resid 61 and name HA
	 )
       ( resid 61 and name HB2
	 ) 3.3 1.4 1.4 volume=32300254.000 peak=887 ppm1=4.351 ppm2=2.847

assign ( resid 58 and name HA
	 )
       ( resid 61 and name HB2
	 ) 3.7 1.8 1.8 volume=32586528.000 peak=888 ppm1=4.149 ppm2=2.847

assign ( resid 64 and name HD3
	 or resid 64 and name HD2
	 )
       ( resid 61 and name HB3
	 ) 5.7 4.1 4.1 volume=8967155.000 peak=889 ppm1=1.723 ppm2=2.646

assign ( resid 80 and name HB#
	 )
       ( resid 79 and name HB
	 ) 4.8 2.9 2.9 volume=11017779.000 peak=891 ppm1=1.417 ppm2=2.218

assign ( resid 41 and name HB2
	 or resid 41 and name HB3
	 )
       ( resid 40 and name HA
	 ) 4.1 2.1 2.1 volume=47836120.000 peak=894 ppm1=1.752 ppm2=4.127

assign ( resid 40 and name HB#
	 )
       ( resid 40 and name HA
	 ) 1.8 0.4 0.4 volume=346696704.000 peak=895 ppm1=1.485 ppm2=4.126

assign ( resid 51 and name HA
	 )
       ( resid 51 and name HG3
	 ) 3.3 1.3 1.3 volume=56671388.000 peak=897 ppm1=3.863 ppm2=2.639

assign ( resid 14 and name HD1#
	 )
       ( resid 14 and name HB2
	 ) 2.6 0.8 0.8 volume=81073048.000 peak=898 ppm1=0.659 ppm2=1.596

assign ( resid 14 and name HA
	 )
       ( resid 14 and name HD1#
	 ) 4.0 2.0 2.0 volume=39208772.000 peak=900 ppm1=4.165 ppm2=0.637

assign ( resid 14 and name HG
	 )
       ( resid 14 and name HD2#
	 ) 2.1 0.5 0.5 volume=87451584.000 peak=901 ppm1=1.444 ppm2=0.704

assign ( resid 31 and name HA
	 )
       ( resid 32 and name HB2
	 ) 4.7 2.8 2.8 volume=39527532.000 peak=902 ppm1=4.213 ppm2=2.027

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name HB3
	 ) 2.4 0.7 0.7 volume=43126916.000 peak=903 ppm1=1.595 ppm2=2.023

assign ( resid 14 and name HD1#
	 )
       ( resid 14 and name HB3
	 ) 2.5 0.8 0.8 volume=24922500.000 peak=904 ppm1=0.658 ppm2=2.020

assign ( resid 82 and name HD#
	 )
       ( resid 82 and name HE#
	 ) 3.3 1.3 1.3 volume=119905728.000 peak=908 ppm1=7.077 ppm2=6.799

assign ( resid 82 and name HE#
	 )
       ( resid 83 and name HA
	 ) 4.0 2.1 2.0 volume=10534405.000 peak=909 ppm1=6.793 ppm2=4.332

assign ( resid 82 and name HE#
	 )
       ( resid 82 and name HB2
	 ) 5.0 3.6 3.2 volume=9470443.000 peak=910 ppm1=6.792 ppm2=3.268

assign ( resid 82 and name HE#
	 )
       ( resid 82 and name HB3
	 ) 4.5 3.1 2.6 volume=24449538.000 peak=911 ppm1=6.787 ppm2=2.962

assign ( resid 14 and name HD1#
	 )
       ( resid 82 and name HE#
	 ) 3.6 1.6 1.6 volume=39609312.000 peak=912 ppm1=0.643 ppm2=6.793

assign ( resid 50 and name HB2
	 )
       ( resid 50 and name HA
	 ) 2.7 0.9 0.9 volume=16160379.000 peak=913 ppm1=3.142 ppm2=4.022

assign ( resid 50 and name HB2
	 )
       ( resid 50 and name HB3
	 ) 2.7 0.9 0.9 volume=23714888.000 peak=916 ppm1=3.136 ppm2=3.260

assign ( resid 47 and name HG2
	 or resid 47 and name HG3
	 )
       ( resid 50 and name HB2
	 ) 6.6 5.5 5.5 volume=4347423.500 peak=918 ppm1=2.505 ppm2=3.118

assign ( resid 47 and name HA
	 )
       ( resid 50 and name HB2
	 ) 4.2 2.2 2.2 volume=12937556.000 peak=919 ppm1=4.187 ppm2=3.137

assign ( resid 47 and name HA
	 )
       ( resid 50 and name HB3
	 ) 3.8 1.8 1.8 volume=15298353.000 peak=920 ppm1=4.185 ppm2=3.265

assign ( resid 100 and name HD2#
	 )
       ( resid 100 and name HG
	 ) 2.0 0.5 0.5 volume=135511808.000 peak=921 ppm1=0.859 ppm2=1.533

assign ( resid 53 and name HB2
	 )
       ( resid 53 and name HB3
	 ) 2.2 0.6 0.6 volume=85542568.000 peak=922 ppm1=2.947 ppm2=3.150

assign ( resid 53 and name HB2
	 )
       ( resid 53 and name HA
	 ) 3.4 1.5 1.5 volume=26072298.000 peak=924 ppm1=2.947 ppm2=3.909

assign ( resid 53 and name HB3
	 )
       ( resid 104 and name HB#
	 ) 3.7 1.7 1.7 volume=14392732.000 peak=927 ppm1=3.153 ppm2=1.561

assign ( resid 53 and name HB2
	 )
       ( resid 31 and name HD1#
	 ) 4.6 2.7 2.6 volume=12256788.000 peak=928 ppm1=2.951 ppm2=1.015

assign ( resid 56 and name HD2#
	 )
       ( resid 53 and name HB2
	 ) 5.0 3.1 3.1 volume=18874986.000 peak=929 ppm1=0.853 ppm2=2.948

assign ( resid 31 and name HD2#
	 )
       ( resid 53 and name HB3
	 ) 3.5 1.6 1.6 volume=20313046.000 peak=931 ppm1=0.847 ppm2=3.150

assign ( resid 53 and name HB3
	 )
       ( resid 53 and name HA
	 ) 2.9 1.0 1.0 volume=63131860.000 peak=932 ppm1=3.148 ppm2=3.909

assign ( resid 104 and name HB#
	 )
       ( resid 53 and name HA
	 ) 4.3 2.3 2.3 volume=25759052.000 peak=934 ppm1=1.565 ppm2=3.914

assign ( resid 53 and name HB3
	 )
       ( resid 56 and name HD1#
	 ) 4.0 2.0 2.0 volume=26003782.000 peak=936 ppm1=3.153 ppm2=0.855

assign ( resid 51 and name HG2
	 )
       ( resid 51 and name HA
	 ) 4.0 2.0 2.0 volume=37269800.000 peak=937 ppm1=2.627 ppm2=3.863

assign ( resid 54 and name HB
	 )
       ( resid 53 and name HA
	 ) 4.4 2.4 2.4 volume=36767196.000 peak=938 ppm1=1.951 ppm2=3.910

assign ( resid 48 and name HB2
	 or resid 48 and name HB3
	 )
       ( resid 48 and name HA
	 ) 2.8 1.0 1.0 volume=110354784.000 peak=939 ppm1=3.404 ppm2=4.521

assign ( resid 51 and name HG2
	 )
       ( resid 48 and name HA
	 ) 5.2 3.4 3.4 volume=12138051.000 peak=940 ppm1=2.531 ppm2=4.522

assign ( resid 90 and name HB3
	 )
       ( resid 90 and name HA
	 ) 2.9 1.1 1.1 volume=79253096.000 peak=944 ppm1=3.300 ppm2=4.001

assign ( resid 90 and name HE1
	 )
       ( resid 68 and name HA
	 ) 4.9 2.9 2.9 volume=9696862.000 peak=946 ppm1=8.141 ppm2=4.168

assign ( resid 90 and name HE1
	 )
       ( resid 67 and name HD2#
	 ) 5.0 3.1 3.1 volume=8807734.000 peak=947 ppm1=8.093 ppm2=0.706

assign ( resid 67 and name HB2
	 )
       ( resid 90 and name HE1
	 ) 4.8 2.9 2.9 volume=7379435.000 peak=948 ppm1=1.877 ppm2=8.137

assign ( resid 68 and name HB2
	 )
       ( resid 90 and name HE1
	 ) 5.9 4.3 4.3 volume=8147457.500 peak=949 ppm1=2.277 ppm2=8.136

assign ( resid 112 and name HG2#
	 )
       ( resid 112 and name HG13
	 ) 3.0 1.1 1.1 volume=101798432.000 peak=950 ppm1=0.869 ppm2=1.169

assign ( resid 48 and name HB2
	 )
       ( resid 48 and name HD2
	 ) 4.1 2.3 2.1 volume=34893640.000 peak=952 ppm1=3.434 ppm2=7.197

assign ( resid 52 and name HG3
	 )
       ( resid 48 and name HE1
	 ) 5.8 4.1 4.1 volume=8513796.000 peak=953 ppm1=1.616 ppm2=8.234

assign ( resid 64 and name HB2
	 or resid 64 and name HB3
	 )
       ( resid 90 and name HE1
	 ) 5.9 4.3 4.3 volume=7246692.000 peak=955 ppm1=2.000 ppm2=8.134

assign ( resid 62 and name H
	 )
       ( resid 61 and name HB3
	 ) 2.8 1.0 1.0 volume=3865374.250 peak=956 ppm1=8.197 ppm2=2.638

assign ( resid 87 and name HA
	 )
       ( resid 90 and name HD2
	 ) 3.5 1.5 1.5 volume=31796484.000 peak=957 ppm1=4.190 ppm2=7.091

assign ( resid 90 and name HA
	 )
       ( resid 90 and name HD2
	 ) 4.2 2.2 2.2 volume=17557454.000 peak=958 ppm1=3.996 ppm2=7.092

assign ( resid 86 and name HG3
	 )
       ( resid 90 and name HD2
	 ) 3.7 1.7 1.7 volume=14720535.000 peak=963 ppm1=1.161 ppm2=7.091

assign ( resid 48 and name HD2
	 )
       ( resid 45 and name HA
	 ) 5.2 3.5 3.4 volume=10593674.000 peak=964 ppm1=7.193 ppm2=4.282

assign ( resid 52 and name HG3
	 or resid 52 and name HG2
	 )
       ( resid 48 and name HD2
	 ) 4.6 2.7 2.7 volume=15372437.000 peak=968 ppm1=1.604 ppm2=7.197

assign ( resid 50 and name HD#
	 )
       ( resid 107 and name HB
	 ) 4.6 2.7 2.7 volume=12550545.000 peak=975 ppm1=7.066 ppm2=2.014

assign ( resid 86 and name HB3
	 )
       ( resid 82 and name HD#
	 ) 3.9 1.9 1.9 volume=13318502.000 peak=976 ppm1=1.723 ppm2=7.081

assign ( resid 90 and name HD2
	 )
       ( resid 86 and name HB3
	 ) 5.7 4.0 4.0 volume=7326321.000 peak=981 ppm1=7.091 ppm2=1.709

assign ( resid 90 and name HD2
	 )
       ( resid 86 and name HB2
	 ) 6.2 4.9 4.9 volume=5977980.000 peak=982 ppm1=7.091 ppm2=1.771

assign ( resid 50 and name HD#
	 )
       ( resid 51 and name HG3
	 ) 5.8 4.2 4.2 volume=16502919.000 peak=983 ppm1=7.068 ppm2=2.640

assign ( resid 64 and name HG3
	 )
       ( resid 90 and name HE1
	 ) 4.6 2.7 2.7 volume=5032489.000 peak=985 ppm1=1.367 ppm2=8.134

assign ( resid 52 and name HD3
	 )
       ( resid 48 and name HE1
	 ) 6.0 4.4 4.4 volume=5922347.000 peak=986 ppm1=3.271 ppm2=8.231

assign ( resid 54 and name HG12
	 )
       ( resid 50 and name HE#
	 ) 4.0 2.1 2.0 volume=20811564.000 peak=991 ppm1=1.223 ppm2=6.840

assign ( resid 50 and name HE#
	 )
       ( resid 54 and name HD1#
	 ) 3.3 1.3 1.3 volume=65256096.000 peak=992 ppm1=6.839 ppm2=0.579

assign ( resid 50 and name HD#
	 )
       ( resid 51 and name HA
	 ) 4.7 2.8 2.8 volume=20399160.000 peak=994 ppm1=7.069 ppm2=3.860

assign ( resid 50 and name HD#
	 )
       ( resid 104 and name HB#
	 ) 3.4 1.4 1.4 volume=22335746.000 peak=995 ppm1=7.071 ppm2=1.558

assign ( resid 50 and name HD#
	 )
       ( resid 104 and name HA
	 ) 4.2 2.2 2.2 volume=27070752.000 peak=996 ppm1=7.071 ppm2=4.060

assign ( resid 54 and name HD1#
	 )
       ( resid 50 and name HD#
	 ) 4.0 2.0 2.0 volume=24749570.000 peak=997 ppm1=0.580 ppm2=7.067

assign ( resid 50 and name HE#
	 )
       ( resid 54 and name HG2#
	 ) 4.7 2.8 2.7 volume=14754048.000 peak=999 ppm1=6.838 ppm2=0.838

assign ( resid 50 and name HD#
	 )
       ( resid 54 and name HG2#
	 ) 4.9 3.3 3.0 volume=9512202.000 peak=1000 ppm1=7.067 ppm2=0.835

assign ( resid 54 and name HD1#
	 )
       ( resid 54 and name HG13
	 ) 2.2 0.6 0.6 volume=52894352.000 peak=1002 ppm1=0.579 ppm2=1.063

assign ( resid 54 and name HA
	 )
       ( resid 54 and name HG13
	 ) 2.7 0.9 0.9 volume=23561958.000 peak=1004 ppm1=3.599 ppm2=1.064

assign ( resid 54 and name HG12
	 )
       ( resid 54 and name HA
	 ) 3.2 1.3 1.3 volume=25856192.000 peak=1005 ppm1=1.229 ppm2=3.600

assign ( resid 87 and name HB3
	 or resid 87 and name HB2
	 )
       ( resid 90 and name HD2
	 ) 5.6 4.1 3.9 volume=6599304.000 peak=1010 ppm1=2.180 ppm2=7.090

assign ( resid 48 and name HA
	 )
       ( resid 48 and name HD2
	 ) 4.2 2.2 2.2 volume=18195332.000 peak=1012 ppm1=4.522 ppm2=7.197

assign ( resid 54 and name HD1#
	 )
       ( resid 54 and name HB
	 ) 2.6 0.8 0.8 volume=85356128.000 peak=1016 ppm1=0.581 ppm2=1.946

assign ( resid 54 and name HG12
	 )
       ( resid 54 and name HD1#
	 ) 2.2 0.6 0.6 volume=128763864.000 peak=1017 ppm1=1.227 ppm2=0.585

assign ( resid 54 and name HG2#
	 )
       ( resid 54 and name HD1#
	 ) 1.9 0.5 0.5 volume=214871664.000 peak=1019 ppm1=0.837 ppm2=0.585

assign ( resid 53 and name HB3
	 )
       ( resid 54 and name HD1#
	 ) 6.1 5.6 4.7 volume=12737363.000 peak=1020 ppm1=3.145 ppm2=0.583

assign ( resid 54 and name HD1#
	 )
       ( resid 53 and name HB2
	 ) 4.8 3.3 2.8 volume=18282048.000 peak=1023 ppm1=0.574 ppm2=2.953

assign ( resid 53 and name HB2
	 )
       ( resid 54 and name HG2#
	 ) 5.3 3.6 3.6 volume=12095408.000 peak=1024 ppm1=2.954 ppm2=0.837

assign ( resid 53 and name HB3
	 )
       ( resid 54 and name HG2#
	 ) 6.7 5.7 5.7 volume=7457302.000 peak=1025 ppm1=3.143 ppm2=0.835

assign ( resid 54 and name HD1#
	 )
       ( resid 51 and name HG3
	 ) 4.8 2.9 2.9 volume=10891215.000 peak=1026 ppm1=0.582 ppm2=2.637

assign ( resid 50 and name HE#
	 )
       ( resid 54 and name HG13
	 ) 5.4 3.7 3.7 volume=8067372.000 peak=1027 ppm1=6.832 ppm2=1.069

assign ( resid 54 and name HG12
	 )
       ( resid 51 and name HA
	 ) 3.4 1.5 1.5 volume=14058266.000 peak=1028 ppm1=1.227 ppm2=3.861

assign ( resid 51 and name HA
	 )
       ( resid 54 and name HG13
	 ) 5.3 3.5 3.5 volume=11811994.000 peak=1029 ppm1=3.870 ppm2=1.068

assign ( resid 54 and name HG2#
	 )
       ( resid 54 and name HG13
	 ) 2.4 0.7 0.7 volume=40220148.000 peak=1034 ppm1=0.834 ppm2=1.063

assign ( resid 54 and name HG12
	 )
       ( resid 54 and name HG2#
	 ) 3.0 1.1 1.1 volume=104204512.000 peak=1037 ppm1=1.228 ppm2=0.837

assign ( resid 54 and name HG2#
	 )
       ( resid 54 and name HB
	 ) 1.9 0.5 0.5 volume=207460656.000 peak=1038 ppm1=0.837 ppm2=1.960

assign ( resid 55 and name HA
	 )
       ( resid 54 and name HG2#
	 ) 3.1 1.2 1.2 volume=38931272.000 peak=1040 ppm1=4.075 ppm2=0.837

assign ( resid 51 and name HA
	 )
       ( resid 54 and name HG2#
	 ) 4.0 2.0 2.0 volume=35214208.000 peak=1041 ppm1=3.865 ppm2=0.838

assign ( resid 54 and name HB
	 )
       ( resid 54 and name HA
	 ) 2.7 0.9 0.9 volume=39141904.000 peak=1042 ppm1=1.962 ppm2=3.599

assign ( resid 54 and name HG13
	 )
       ( resid 54 and name HB
	 ) 3.3 1.3 1.3 volume=47579864.000 peak=1045 ppm1=1.063 ppm2=1.959

assign ( resid 54 and name HG12
	 )
       ( resid 54 and name HB
	 ) 2.7 0.9 0.9 volume=52842828.000 peak=1046 ppm1=1.228 ppm2=1.958

assign ( resid 51 and name HA
	 )
       ( resid 54 and name HB
	 ) 3.0 1.1 1.1 volume=44440964.000 peak=1047 ppm1=3.864 ppm2=1.960

assign ( resid 54 and name HG2#
	 )
       ( resid 54 and name HA
	 ) 2.4 0.7 0.7 volume=136240224.000 peak=1051 ppm1=0.836 ppm2=3.599

assign ( resid 53 and name HB2
	 )
       ( resid 54 and name HA
	 ) 4.2 2.2 2.2 volume=16429693.000 peak=1053 ppm1=2.963 ppm2=3.600

assign ( resid 54 and name HA
	 )
       ( resid 51 and name HA
	 ) 5.2 3.4 3.4 volume=14481743.000 peak=1056 ppm1=3.596 ppm2=3.862

assign ( resid 50 and name HD#
	 )
       ( resid 107 and name HG2#
	 ) 3.9 1.9 1.9 volume=33575608.000 peak=1059 ppm1=7.069 ppm2=0.968

assign ( resid 115 and name HB
	 )
       ( resid 116 and name HA3
	 or resid 116 and name HA2
	 ) 4.7 2.7 2.7 volume=13911084.000 peak=1062 ppm1=2.078 ppm2=3.964

assign ( resid 105 and name HA
	 )
       ( resid 106 and name HA
	 ) 3.7 1.7 1.7 volume=45314612.000 peak=1065 ppm1=3.897 ppm2=4.067

assign ( resid 105 and name HG2#
	 )
       ( resid 105 and name HA
	 ) 2.3 0.7 0.7 volume=135001728.000 peak=1066 ppm1=1.007 ppm2=3.906

assign ( resid 106 and name HA
	 )
       ( resid 105 and name HG2#
	 ) 3.2 1.3 1.3 volume=30992672.000 peak=1067 ppm1=4.055 ppm2=1.006

assign ( resid 105 and name HG1#
	 )
       ( resid 105 and name HG2#
	 ) 1.7 0.3 0.3 volume=348914336.000 peak=1068 ppm1=1.127 ppm2=1.006

assign ( resid 106 and name HA
	 )
       ( resid 106 and name HB
	 ) 2.7 0.9 0.9 volume=147948800.000 peak=1069 ppm1=4.064 ppm2=4.413

assign ( resid 103 and name HB3
	 or resid 103 and name HB2
	 )
       ( resid 106 and name HB
	 ) 4.7 2.7 2.7 volume=23691988.000 peak=1071 ppm1=1.560 ppm2=4.418

assign ( resid 104 and name HA
	 )
       ( resid 104 and name HB#
	 ) 1.7 0.4 0.4 volume=384211648.000 peak=1074 ppm1=4.066 ppm2=1.560

assign ( resid 107 and name HG12
	 )
       ( resid 107 and name HB
	 ) 2.7 0.9 0.9 volume=51298620.000 peak=1076 ppm1=1.653 ppm2=2.023

assign ( resid 103 and name HB3
	 or resid 103 and name HB2
	 )
       ( resid 103 and name HA
	 ) 2.6 0.8 0.8 volume=128163344.000 peak=1078 ppm1=1.568 ppm2=4.344

assign ( resid 62 and name HA
	 )
       ( resid 62 and name HB3
	 ) 3.0 1.1 1.1 volume=153317312.000 peak=1083 ppm1=4.165 ppm2=2.139

assign ( resid 39 and name HA
	 )
       ( resid 39 and name HB2
	 or resid 39 and name HB3
	 ) 2.3 0.6 0.6 volume=120044896.000 peak=1084 ppm1=4.163 ppm2=2.073

assign ( resid 80 and name HB#
	 )
       ( resid 80 and name HA
	 ) 1.8 0.4 0.4 volume=270725824.000 peak=1086 ppm1=1.424 ppm2=4.238

assign ( resid 82 and name HA
	 )
       ( resid 82 and name HD#
	 ) 4.1 2.1 2.1 volume=46884356.000 peak=1087 ppm1=3.781 ppm2=7.082

assign ( resid 82 and name HB2
	 )
       ( resid 82 and name HA
	 ) 3.6 1.6 1.6 volume=50458712.000 peak=1088 ppm1=3.259 ppm2=3.777

assign ( resid 14 and name HD1#
	 )
       ( resid 82 and name HA
	 ) 3.6 1.6 1.6 volume=15952002.000 peak=1090 ppm1=0.640 ppm2=3.776

assign ( resid 86 and name HA
	 )
       ( resid 86 and name HB3
	 ) 3.8 1.8 1.8 volume=24981394.000 peak=1092 ppm1=3.697 ppm2=1.710

assign ( resid 86 and name HB2
	 )
       ( resid 86 and name HA
	 ) 2.2 0.6 0.6 volume=24051542.000 peak=1093 ppm1=1.731 ppm2=3.693

assign ( resid 82 and name HB3
	 )
       ( resid 82 and name HB2
	 ) 2.5 0.8 0.8 volume=37292040.000 peak=1095 ppm1=2.972 ppm2=3.261

assign ( resid 82 and name HB3
	 )
       ( resid 82 and name HA
	 ) 3.1 1.2 1.2 volume=17069664.000 peak=1096 ppm1=2.971 ppm2=3.777

assign ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 )
       ( resid 82 and name HB3
	 ) 4.1 2.1 2.1 volume=13035312.000 peak=1102 ppm1=1.050 ppm2=2.979

assign ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 )
       ( resid 82 and name HB2
	 ) 4.4 2.4 2.4 volume=11884012.000 peak=1103 ppm1=1.049 ppm2=3.258

assign ( resid 79 and name HA
	 )
       ( resid 79 and name HG2#
	 ) 2.5 0.8 0.8 volume=126516336.000 peak=1104 ppm1=4.211 ppm2=1.047

assign ( resid 78 and name HA
	 )
       ( resid 79 and name HG1#
	 ) 4.6 2.6 2.6 volume=16654243.000 peak=1105 ppm1=4.463 ppm2=1.056

assign ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 )
       ( resid 78 and name HA
	 ) 3.9 1.9 1.9 volume=52831180.000 peak=1106 ppm1=1.059 ppm2=4.472

assign ( resid 65 and name HB2
	 )
       ( resid 65 and name HA
	 ) 2.9 1.1 1.1 volume=94876808.000 peak=1107 ppm1=2.860 ppm2=4.462

assign ( resid 111 and name HA
	 )
       ( resid 111 and name HB3
	 ) 3.0 1.1 1.1 volume=90943208.000 peak=1108 ppm1=4.701 ppm2=2.853

assign ( resid 62 and name HA
	 )
       ( resid 65 and name HB2
	 ) 2.9 1.0 1.0 volume=58939104.000 peak=1109 ppm1=4.172 ppm2=2.855

assign ( resid 62 and name HB2
	 )
       ( resid 65 and name HB2
	 ) 4.7 2.7 2.7 volume=26445124.000 peak=1111 ppm1=2.289 ppm2=2.854

assign ( resid 62 and name HB2
	 )
       ( resid 65 and name HB3
	 ) 5.8 4.2 4.2 volume=22010886.000 peak=1112 ppm1=2.289 ppm2=2.950

assign ( resid 50 and name HA
	 )
       ( resid 50 and name HB3
	 ) 3.5 1.6 1.6 volume=59070264.000 peak=1114 ppm1=4.018 ppm2=3.257

assign ( resid 50 and name HA
	 )
       ( resid 50 and name HD#
	 ) 3.9 1.9 1.9 volume=59360408.000 peak=1117 ppm1=4.035 ppm2=7.068

assign ( resid 50 and name HE#
	 )
       ( resid 50 and name HA
	 ) 5.4 3.6 3.6 volume=12250472.000 peak=1118 ppm1=6.838 ppm2=4.022

assign ( resid 50 and name HA
	 )
       ( resid 53 and name HB2
	 ) 3.2 1.3 1.3 volume=22430472.000 peak=1119 ppm1=4.026 ppm2=2.946

assign ( resid 50 and name HA
	 )
       ( resid 53 and name HB3
	 ) 4.0 2.0 2.0 volume=19619308.000 peak=1120 ppm1=4.026 ppm2=3.149

assign ( resid 53 and name HB2
	 )
       ( resid 104 and name HB#
	 ) 2.8 1.0 1.0 volume=54190476.000 peak=1121 ppm1=2.943 ppm2=1.560

assign ( resid 53 and name HA
	 )
       ( resid 56 and name HD1#
	 ) 2.6 0.8 0.8 volume=91495352.000 peak=1123 ppm1=3.873 ppm2=0.840

assign ( resid 53 and name HB3
	 )
       ( resid 31 and name HD1#
	 ) 3.4 1.4 1.4 volume=19455324.000 peak=1124 ppm1=3.149 ppm2=1.014

assign ( resid 105 and name HA
	 )
       ( resid 104 and name HB#
	 ) 3.4 1.4 1.4 volume=45137616.000 peak=1127 ppm1=3.911 ppm2=1.560

assign ( resid 69 and name HB2
	 )
       ( resid 66 and name HA
	 ) 3.1 1.2 1.2 volume=49017604.000 peak=1129 ppm1=1.831 ppm2=4.065

assign ( resid 69 and name HA
	 )
       ( resid 69 and name HB2
	 ) 3.5 1.6 1.6 volume=42020600.000 peak=1130 ppm1=4.243 ppm2=1.827

assign ( resid 69 and name HA
	 )
       ( resid 69 and name HB3
	 ) 3.1 1.2 1.2 volume=42534604.000 peak=1131 ppm1=4.242 ppm2=2.020

assign ( resid 65 and name HB3
	 )
       ( resid 66 and name HA
	 ) 3.8 1.8 1.8 volume=29788852.000 peak=1132 ppm1=2.965 ppm2=4.064

assign ( resid 66 and name HB#
	 )
       ( resid 63 and name HA
	 ) 2.3 0.7 0.7 volume=116237240.000 peak=1133 ppm1=1.557 ppm2=4.503

assign ( resid 104 and name HB#
	 )
       ( resid 105 and name HG1#
	 ) 2.8 1.0 1.0 volume=27256020.000 peak=1134 ppm1=1.564 ppm2=1.131

assign ( resid 97 and name HA
	 )
       ( resid 97 and name HG2#
	 ) 2.4 0.7 0.7 volume=103474432.000 peak=1137 ppm1=3.687 ppm2=1.235

assign ( resid 100 and name HB3
	 )
       ( resid 97 and name HA
	 ) 3.3 1.4 1.4 volume=34243900.000 peak=1138 ppm1=1.919 ppm2=3.687

assign ( resid 97 and name HG2#
	 )
       ( resid 97 and name HB
	 ) 2.1 0.5 0.5 volume=189468944.000 peak=1140 ppm1=1.224 ppm2=4.543

assign ( resid 101 and name HB2
	 )
       ( resid 97 and name HG2#
	 ) 3.4 1.4 1.4 volume=33527818.000 peak=1143 ppm1=2.246 ppm2=1.235

assign ( resid 101 and name HB3
	 )
       ( resid 97 and name HG2#
	 ) 2.9 1.1 1.1 volume=27526432.000 peak=1144 ppm1=2.086 ppm2=1.236

assign ( resid 97 and name HG2#
	 )
       ( resid 101 and name HG3
	 or resid 101 and name HG2
	 ) 3.5 1.5 1.5 volume=50012008.000 peak=1145 ppm1=1.232 ppm2=2.421

assign ( resid 100 and name HB3
	 )
       ( resid 97 and name HG2#
	 ) 3.7 1.7 1.7 volume=26500904.000 peak=1146 ppm1=1.939 ppm2=1.235

assign ( resid 98 and name HA
	 )
       ( resid 97 and name HG2#
	 ) 3.0 1.1 1.1 volume=61969760.000 peak=1147 ppm1=4.108 ppm2=1.235

assign ( resid 94 and name HB2
	 )
       ( resid 94 and name HA
	 ) 3.4 1.5 1.5 volume=93145984.000 peak=1148 ppm1=2.787 ppm2=4.452

assign ( resid 94 and name HB3
	 )
       ( resid 94 and name HA
	 ) 2.9 1.0 1.0 volume=93214856.000 peak=1149 ppm1=2.669 ppm2=4.453

assign ( resid 97 and name HG2#
	 )
       ( resid 94 and name HA
	 ) 3.7 1.7 1.7 volume=64940696.000 peak=1150 ppm1=1.236 ppm2=4.454

assign ( resid 94 and name HB3
	 )
       ( resid 91 and name HA
	 ) 3.7 1.7 1.7 volume=55980432.000 peak=1155 ppm1=2.666 ppm2=3.946

assign ( resid 91 and name HG2#
	 )
       ( resid 91 and name HA
	 ) 2.4 0.7 0.7 volume=167700512.000 peak=1156 ppm1=1.287 ppm2=3.946

assign ( resid 91 and name HB
	 )
       ( resid 91 and name HG2#
	 ) 1.9 0.4 0.4 volume=357523200.000 peak=1157 ppm1=4.289 ppm2=1.291

assign ( resid 91 and name HA
	 )
       ( resid 91 and name HB
	 ) 3.0 1.1 1.1 volume=88352976.000 peak=1158 ppm1=3.945 ppm2=4.286

assign ( resid 88 and name HG2
	 or resid 88 and name HG3
	 )
       ( resid 91 and name HB
	 ) 5.2 3.4 3.4 volume=12051122.000 peak=1159 ppm1=2.572 ppm2=4.283

assign ( resid 88 and name HB2
	 )
       ( resid 91 and name HB
	 ) 4.9 2.9 2.9 volume=27630776.000 peak=1160 ppm1=2.351 ppm2=4.288

assign ( resid 88 and name HB3
	 )
       ( resid 91 and name HB
	 ) 4.2 2.2 2.2 volume=21784618.000 peak=1161 ppm1=2.054 ppm2=4.284

assign ( resid 28 and name HG1#
	 )
       ( resid 28 and name HA
	 ) 2.3 0.7 0.7 volume=53857848.000 peak=1162 ppm1=0.952 ppm2=3.493

assign ( resid 68 and name HA
	 )
       ( resid 68 and name HG3
	 ) 2.6 0.8 0.8 volume=167646592.000 peak=1163 ppm1=4.175 ppm2=2.618

assign ( resid 94 and name HB2
	 )
       ( resid 91 and name HG2#
	 ) 3.9 1.9 1.9 volume=24432202.000 peak=1164 ppm1=2.788 ppm2=1.291

assign ( resid 94 and name HB3
	 )
       ( resid 91 and name HG2#
	 ) 4.9 3.0 3.0 volume=19780606.000 peak=1165 ppm1=2.651 ppm2=1.291

assign ( resid 90 and name HB2
	 )
       ( resid 90 and name HA
	 ) 3.3 1.4 1.4 volume=22418654.000 peak=1168 ppm1=3.399 ppm2=4.002

assign ( resid 90 and name HD2
	 )
       ( resid 90 and name HB3
	 ) 4.5 2.8 2.5 volume=7070824.000 peak=1169 ppm1=7.088 ppm2=3.302

assign ( resid 90 and name HD2
	 )
       ( resid 90 and name HB2
	 ) 3.5 1.5 1.5 volume=8635558.000 peak=1170 ppm1=7.091 ppm2=3.404

assign ( resid 90 and name HB2
	 )
       ( resid 67 and name HD2#
	 ) 4.3 2.4 2.3 volume=12560932.000 peak=1172 ppm1=3.392 ppm2=0.719

assign ( resid 67 and name HD2#
	 )
       ( resid 90 and name HB3
	 ) 4.5 2.7 2.5 volume=32141842.000 peak=1174 ppm1=0.723 ppm2=3.302

assign ( resid 51 and name HG3
	 )
       ( resid 48 and name HA
	 ) 6.3 4.9 4.9 volume=8793744.000 peak=1175 ppm1=2.646 ppm2=4.524

assign ( resid 42 and name HA
	 )
       ( resid 42 and name HB2
	 or resid 42 and name HB3
	 ) 3.4 1.4 1.4 volume=27130956.000 peak=1177 ppm1=4.520 ppm2=2.307

assign ( resid 48 and name HD2
	 )
       ( resid 48 and name HB3
	 ) 3.3 1.3 1.3 volume=10790904.000 peak=1178 ppm1=7.199 ppm2=3.380

assign ( resid 48 and name HA
	 )
       ( resid 48 and name HB3
	 ) 3.8 1.8 1.8 volume=36934480.000 peak=1180 ppm1=4.520 ppm2=3.380

assign ( resid 48 and name HA
	 )
       ( resid 48 and name HB2
	 ) 3.3 1.3 1.3 volume=37601984.000 peak=1181 ppm1=4.523 ppm2=3.454

assign ( resid 112 and name HG2#
	 )
       ( resid 113 and name HA
	 ) 3.8 1.8 1.8 volume=32069350.000 peak=1182 ppm1=0.882 ppm2=4.335

assign ( resid 110 and name HA
	 )
       ( resid 111 and name HB2
	 ) 5.0 3.1 3.1 volume=21722864.000 peak=1186 ppm1=4.252 ppm2=2.730

assign ( resid 105 and name HB
	 )
       ( resid 102 and name HA3
	 ) 4.0 2.0 2.0 volume=13034408.000 peak=1187 ppm1=2.267 ppm2=3.920

assign ( resid 105 and name HG1#
	 )
       ( resid 102 and name HA3
	 ) 4.2 2.2 2.2 volume=13123254.000 peak=1188 ppm1=1.126 ppm2=3.922

assign ( resid 105 and name HG2#
	 )
       ( resid 102 and name HA3
	 ) 4.7 2.8 2.8 volume=10525870.000 peak=1189 ppm1=1.000 ppm2=3.924

assign ( resid 105 and name HG2#
	 )
       ( resid 105 and name HB
	 ) 1.9 0.4 0.4 volume=227317696.000 peak=1190 ppm1=1.005 ppm2=2.266

assign ( resid 105 and name HA
	 )
       ( resid 105 and name HB
	 ) 2.7 0.9 0.9 volume=116760368.000 peak=1197 ppm1=3.907 ppm2=2.266

assign ( resid 78 and name HA
	 )
       ( resid 78 and name HB3
	 ) 2.8 1.0 1.0 volume=59013284.000 peak=1198 ppm1=4.470 ppm2=2.180

assign ( resid 105 and name HG1#
	 )
       ( resid 105 and name HA
	 ) 2.2 0.6 0.6 volume=229006144.000 peak=1199 ppm1=1.129 ppm2=3.906

assign ( resid 105 and name HG1#
	 )
       ( resid 105 and name HB
	 ) 1.9 0.5 0.5 volume=231375408.000 peak=1200 ppm1=1.129 ppm2=2.266

assign ( resid 101 and name HG3
	 or resid 101 and name HG2
	 )
       ( resid 105 and name HG1#
	 ) 3.5 1.5 1.5 volume=41032552.000 peak=1201 ppm1=2.472 ppm2=1.130

assign ( resid 104 and name HB#
	 )
       ( resid 101 and name HA
	 ) 2.2 0.6 0.6 volume=189882784.000 peak=1202 ppm1=1.564 ppm2=4.130

assign ( resid 19 and name HD2
	 )
       ( resid 19 and name HA
	 ) 4.4 2.4 2.4 volume=67073040.000 peak=1203 ppm1=3.254 ppm2=4.103

assign ( resid 111 and name HA
	 )
       ( resid 110 and name HA
	 ) 4.8 2.9 2.9 volume=24406330.000 peak=1204 ppm1=4.697 ppm2=4.241

assign ( resid 81 and name HB3
	 or resid 81 and name HB2
	 )
       ( resid 80 and name HA
	 ) 4.7 2.8 2.8 volume=32738424.000 peak=1206 ppm1=2.904 ppm2=4.236

assign ( resid 79 and name HG1#
	 or resid 79 and name HG2#
	 )
       ( resid 80 and name HA
	 ) 4.4 2.4 2.4 volume=28156370.000 peak=1207 ppm1=1.049 ppm2=4.239

assign ( resid 81 and name HA
	 )
       ( resid 80 and name HB#
	 ) 4.3 2.3 2.3 volume=17724482.000 peak=1211 ppm1=4.727 ppm2=1.421

assign ( resid 81 and name HB3
	 or resid 81 and name HB2
	 )
       ( resid 81 and name HA
	 ) 3.1 1.2 1.2 volume=28423146.000 peak=1212 ppm1=2.921 ppm2=4.724

assign ( resid 84 and name HB3
	 or resid 84 and name HB2
	 )
       ( resid 81 and name HB3
	 or resid 81 and name HB2
	 ) 4.1 2.1 2.1 volume=37628772.000 peak=1213 ppm1=2.148 ppm2=2.921

assign ( resid 83 and name HB2
	 or resid 83 and name HB3
	 )
       ( resid 84 and name HB3
	 or resid 84 and name HB2
	 ) 4.4 2.4 2.4 volume=40622648.000 peak=1214 ppm1=2.908 ppm2=2.130

assign ( resid 65 and name HB3
	 )
       ( resid 65 and name HA
	 ) 2.5 0.8 0.8 volume=165767888.000 peak=1215 ppm1=2.948 ppm2=4.462

assign ( resid 65 and name HA
	 )
       ( resid 68 and name HB2
	 ) 2.7 0.9 0.9 volume=96723488.000 peak=1217 ppm1=4.485 ppm2=2.274

assign ( resid 65 and name HB3
	 )
       ( resid 62 and name HA
	 ) 3.8 1.8 1.8 volume=116645648.000 peak=1218 ppm1=2.940 ppm2=4.164

assign ( resid 66 and name HB#
	 )
       ( resid 65 and name HB2
	 or resid 65 and name HB3
	 ) 4.7 2.7 2.7 volume=14969778.000 peak=1220 ppm1=1.586 ppm2=2.952

assign ( resid 65 and name HB3
	 )
       ( resid 62 and name HG3
	 ) 5.0 3.1 3.1 volume=21269080.000 peak=1221 ppm1=2.949 ppm2=2.278

assign ( resid 69 and name HE3
	 )
       ( resid 69 and name HG3
	 ) 3.2 1.2 1.2 volume=59112896.000 peak=1222 ppm1=2.951 ppm2=1.593

assign ( resid 116 and name HA3
	 or resid 116 and name HA2
	 )
       ( resid 115 and name HA
	 ) 5.6 3.9 3.9 volume=83664608.000 peak=1223 ppm1=3.955 ppm2=4.093

assign ( resid 111 and name HA
	 )
       ( resid 112 and name HA
	 ) 4.5 2.5 2.5 volume=29964156.000 peak=1224 ppm1=4.697 ppm2=4.240

assign ( resid 50 and name HE#
	 )
       ( resid 107 and name HG2#
	 ) 4.2 2.2 2.2 volume=11228352.000 peak=1226 ppm1=6.835 ppm2=0.969

assign ( resid 112 and name HA
	 )
       ( resid 112 and name HG12
	 ) 3.0 1.1 1.1 volume=49536628.000 peak=1228 ppm1=4.240 ppm2=1.447

assign ( resid 103 and name HG
	 )
       ( resid 103 and name HB3
	 or resid 103 and name HB2
	 ) 2.8 1.0 1.0 volume=44823892.000 peak=1232 ppm1=2.061 ppm2=1.583

assign ( resid 53 and name HB2
	 )
       ( resid 103 and name HB3
	 ) 4.8 2.9 2.9 volume=13727759.000 peak=1233 ppm1=2.936 ppm2=1.571

assign ( resid 32 and name HG
	 )
       ( resid 32 and name HA
	 ) 2.9 1.0 1.0 volume=62511896.000 peak=1234 ppm1=1.563 ppm2=3.968

assign ( resid 41 and name HB3
	 )
       ( resid 41 and name HD1#
	 ) 2.2 0.6 0.6 volume=283758368.000 peak=1235 ppm1=1.787 ppm2=0.865

assign ( resid 41 and name HD1#
	 )
       ( resid 41 and name HG
	 ) 1.9 0.4 0.4 volume=252390656.000 peak=1237 ppm1=0.870 ppm2=1.581

assign ( resid 43 and name HG2
	 )
       ( resid 43 and name HA
	 ) 3.6 1.6 1.6 volume=58681720.000 peak=1239 ppm1=2.221 ppm2=4.158

assign ( resid 56 and name HG
	 )
       ( resid 53 and name HB2
	 ) 6.0 4.5 4.5 volume=5326044.500 peak=1240 ppm1=1.210 ppm2=2.943

assign ( resid 56 and name HG
	 )
       ( resid 53 and name HB3
	 ) 6.0 4.5 4.5 volume=4323983.500 peak=1241 ppm1=1.198 ppm2=3.144

assign ( resid 56 and name HA
	 )
       ( resid 56 and name HD2#
	 ) 2.3 0.7 0.7 volume=144157920.000 peak=1244 ppm1=4.146 ppm2=0.852

assign ( resid 29 and name HB2
	 )
       ( resid 29 and name HA
	 ) 3.0 1.1 1.1 volume=157941728.000 peak=1248 ppm1=2.828 ppm2=4.355

assign ( resid 29 and name HA
	 )
       ( resid 29 and name HB3
	 ) 2.5 0.8 0.8 volume=201407520.000 peak=1249 ppm1=4.345 ppm2=2.618

assign ( resid 96 and name HA
	 )
       ( resid 99 and name HA
	 ) 3.9 1.9 1.9 volume=139863936.000 peak=1251 ppm1=4.285 ppm2=4.078

assign ( resid 27 and name HA
	 )
       ( resid 27 and name HG2
	 ) 3.1 1.2 1.2 volume=46833896.000 peak=1253 ppm1=4.103 ppm2=2.697

assign ( resid 68 and name HB3
	 )
       ( resid 69 and name HA
	 ) 3.5 1.5 2.5 volume=188413696.000 peak=1257 ppm1=2.266 ppm2=4.238

assign ( resid 62 and name HB3
	 )
       ( resid 59 and name HA
	 ) 2.8 1.0 1.0 volume=72205456.000 peak=1259 ppm1=2.141 ppm2=4.208

assign ( resid 62 and name HG3
	 )
       ( resid 59 and name HA
	 ) 4.2 2.2 2.2 volume=94987296.000 peak=1260 ppm1=2.275 ppm2=4.207

assign ( resid 62 and name HG2
	 )
       ( resid 59 and name HA
	 ) 4.6 2.6 2.6 volume=26415100.000 peak=1261 ppm1=2.498 ppm2=4.205

assign ( resid 24 and name HD1#
	 )
       ( resid 59 and name HA
	 ) 3.6 1.7 1.7 volume=20737368.000 peak=1262 ppm1=0.820 ppm2=4.206

assign ( resid 24 and name HA
	 )
       ( resid 24 and name HD1#
	 ) 2.2 0.6 0.6 volume=165059696.000 peak=1263 ppm1=4.125 ppm2=0.826

assign ( resid 59 and name HB#
	 )
       ( resid 59 and name HA
	 ) 2.0 0.5 0.5 volume=242309104.000 peak=1264 ppm1=1.590 ppm2=4.207

assign ( resid 59 and name HB#
	 )
       ( resid 60 and name HA
	 ) 3.9 1.9 1.9 volume=10946144.000 peak=1265 ppm1=1.592 ppm2=3.469

assign ( resid 62 and name HG3
	 )
       ( resid 59 and name HB#
	 ) 5.1 3.2 3.2 volume=26381312.000 peak=1266 ppm1=2.279 ppm2=1.583

assign ( resid 62 and name HB3
	 )
       ( resid 59 and name HB#
	 ) 3.9 1.9 1.9 volume=27404982.000 peak=1267 ppm1=2.135 ppm2=1.581

assign ( resid 24 and name HB3
	 or resid 24 and name HB2
	 )
       ( resid 59 and name HB#
	 ) 3.4 1.4 1.4 volume=31747916.000 peak=1268 ppm1=1.937 ppm2=1.585

assign ( resid 24 and name HD1#
	 )
       ( resid 59 and name HB#
	 ) 1.3 0.2 4.7 volume=251420064.000 peak=1269 ppm1=0.842 ppm2=1.587

assign ( resid 84 and name HA
	 )
       ( resid 84 and name HB3
	 or resid 84 and name HB2
	 ) 2.7 0.9 0.9 volume=130908064.000 peak=1271 ppm1=4.108 ppm2=2.117

assign ( resid 97 and name HB
	 )
       ( resid 96 and name HA
	 ) 4.8 2.9 2.9 volume=21170272.000 peak=1273 ppm1=4.522 ppm2=4.284

assign ( resid 95 and name HB3
	 )
       ( resid 96 and name HA
	 ) 3.2 1.3 1.3 volume=112838160.000 peak=1274 ppm1=2.080 ppm2=4.286

assign ( resid 48 and name HB2
	 )
       ( resid 45 and name HA
	 ) 2.9 1.0 1.0 volume=82097616.000 peak=1275 ppm1=3.423 ppm2=4.284

assign ( resid 96 and name HB3
	 )
       ( resid 96 and name HD1#
	 ) 2.7 0.9 0.9 volume=48475740.000 peak=1276 ppm1=1.446 ppm2=0.780

assign ( resid 96 and name HD1#
	 )
       ( resid 96 and name HD2#
	 ) 1.7 0.4 0.4 volume=281069120.000 peak=1277 ppm1=0.798 ppm2=0.924

assign ( resid 78 and name HG2
	 )
       ( resid 77 and name HA
	 ) 6.0 4.5 4.5 volume=13123989.000 peak=1280 ppm1=2.031 ppm2=4.726

assign ( resid 74 and name HB2
	 )
       ( resid 73 and name HB#
	 ) 4.4 2.4 2.4 volume=22603382.000 peak=1283 ppm1=2.714 ppm2=1.353

assign ( resid 74 and name HB3
	 )
       ( resid 73 and name HB#
	 ) 4.4 2.4 2.4 volume=22358194.000 peak=1284 ppm1=2.835 ppm2=1.353

assign ( resid 10 and name HA
	 )
       ( resid 10 and name HG3
	 ) 3.1 1.2 1.2 volume=77793792.000 peak=1286 ppm1=4.316 ppm2=2.370

assign ( resid 45 and name HA
	 )
       ( resid 45 and name HG2
	 or resid 45 and name HG3
	 ) 3.4 1.4 1.4 volume=39459768.000 peak=1287 ppm1=4.274 ppm2=1.467

assign ( resid 57 and name HA
	 )
       ( resid 57 and name HG2
	 or resid 57 and name HG3
	 ) 3.6 1.6 1.6 volume=20942922.000 peak=1288 ppm1=3.866 ppm2=1.453

assign ( resid 47 and name HB2
	 or resid 47 and name HB3
	 )
       ( resid 44 and name HA
	 ) 3.0 1.2 1.2 volume=79300216.000 peak=1293 ppm1=2.209 ppm2=4.520

assign ( resid 44 and name HA
	 )
       ( resid 44 and name HB2
	 ) 2.6 0.9 0.9 volume=82575024.000 peak=1294 ppm1=4.521 ppm2=2.806

assign ( resid 45 and name HA
	 )
       ( resid 44 and name HB2
	 ) 4.3 2.3 2.3 volume=13225014.000 peak=1296 ppm1=4.273 ppm2=2.795

assign ( resid 45 and name HA
	 )
       ( resid 44 and name HB3
	 ) 4.3 2.3 2.3 volume=14390406.000 peak=1297 ppm1=4.268 ppm2=3.033

assign ( resid 44 and name HB2
	 )
       ( resid 44 and name HB3
	 ) 1.8 0.4 0.4 volume=327907520.000 peak=1298 ppm1=2.805 ppm2=3.020

assign ( resid 47 and name HG2
	 or resid 47 and name HG3
	 )
       ( resid 44 and name HB2
	 ) 5.6 3.9 3.9 volume=7991940.000 peak=1301 ppm1=2.506 ppm2=2.806

assign ( resid 43 and name HG2
	 )
       ( resid 44 and name HB2
	 ) 6.6 5.4 5.4 volume=16280658.000 peak=1302 ppm1=2.225 ppm2=2.807

assign ( resid 43 and name HG2
	 )
       ( resid 44 and name HB3
	 ) 6.3 4.9 4.9 volume=13089633.000 peak=1303 ppm1=2.228 ppm2=3.021

assign ( resid 110 and name HA
	 )
       ( resid 110 and name HB2
	 ) 2.8 1.0 1.0 volume=72861784.000 peak=1304 ppm1=4.252 ppm2=2.058

assign ( resid 62 and name HA
	 )
       ( resid 62 and name HG3
	 ) 2.7 0.9 0.9 volume=139051552.000 peak=1305 ppm1=4.164 ppm2=2.270

assign ( resid 52 and name HB2
	 )
       ( resid 49 and name HB
	 ) 4.7 2.8 2.8 volume=19734078.000 peak=1306 ppm1=1.876 ppm2=2.129

assign ( resid 109 and name HA
	 )
       ( resid 109 and name HB3
	 or resid 109 and name HB2
	 ) 2.5 0.8 0.8 volume=176662464.000 peak=1307 ppm1=4.300 ppm2=1.867

assign ( resid 15 and name HB3
	 or resid 15 and name HB2
	 )
       ( resid 16 and name HA
	 ) 5.0 3.1 3.1 volume=9904954.000 peak=1309 ppm1=2.184 ppm2=4.122

assign ( resid 17 and name HB2
	 or resid 17 and name HB3
	 )
       ( resid 16 and name HA
	 ) 4.6 2.6 2.6 volume=34014904.000 peak=1310 ppm1=1.837 ppm2=4.120

assign ( resid 77 and name HB#
	 )
       ( resid 78 and name HD3
	 ) 4.1 2.1 2.1 volume=31246440.000 peak=1314 ppm1=1.371 ppm2=3.809

assign ( resid 74 and name HA
	 )
       ( resid 74 and name HB2
	 ) 3.0 1.1 1.1 volume=33608216.000 peak=1317 ppm1=4.569 ppm2=2.713

assign ( resid 13 and name HD2
	 or resid 13 and name HD3
	 )
       ( resid 13 and name HB2
	 or resid 13 and name HB3
	 ) 4.3 2.4 2.4 volume=16327436.000 peak=1324 ppm1=3.832 ppm2=2.352

assign ( resid 77 and name HA
	 )
       ( resid 78 and name HG3
	 ) 5.7 4.1 4.1 volume=15624198.000 peak=1327 ppm1=4.721 ppm2=2.074

assign ( resid 12 and name HA
	 )
       ( resid 13 and name HG2
	 or resid 13 and name HG3
	 ) 6.1 4.7 4.7 volume=9951688.000 peak=1328 ppm1=5.033 ppm2=2.058

assign ( resid 15 and name HG2
	 or resid 15 and name HG3
	 )
       ( resid 15 and name HA
	 ) 3.4 1.4 1.4 volume=52367272.000 peak=1329 ppm1=2.480 ppm2=3.996

assign ( resid 15 and name HB3
	 or resid 15 and name HB2
	 )
       ( resid 15 and name HA
	 ) 2.8 1.0 1.0 volume=103369424.000 peak=1330 ppm1=2.175 ppm2=3.995

assign ( resid 18 and name HD3
	 or resid 18 and name HD2
	 )
       ( resid 15 and name HA
	 ) 3.9 1.9 1.9 volume=26977050.000 peak=1331 ppm1=3.127 ppm2=3.996

assign ( resid 16 and name HB#
	 )
       ( resid 15 and name HG2
	 or resid 15 and name HG3
	 ) 4.3 2.4 2.4 volume=24114168.000 peak=1332 ppm1=1.474 ppm2=2.493

assign ( resid 82 and name HD#
	 )
       ( resid 79 and name HA
	 ) 5.7 4.1 4.1 volume=20558192.000 peak=1335 ppm1=7.089 ppm2=4.210

assign ( resid 79 and name HA
	 )
       ( resid 79 and name HB
	 ) 2.5 0.8 0.8 volume=86892496.000 peak=1336 ppm1=4.215 ppm2=2.224

assign ( resid 82 and name HB2
	 )
       ( resid 79 and name HB
	 ) 4.2 2.2 2.2 volume=22188406.000 peak=1337 ppm1=3.257 ppm2=2.221

assign ( resid 71 and name HB2
	 )
       ( resid 71 and name HA
	 ) 3.1 1.2 1.2 volume=78607568.000 peak=1338 ppm1=3.891 ppm2=4.744

assign ( resid 71 and name HA
	 )
       ( resid 71 and name HB3
	 ) 3.0 1.1 1.1 volume=80626568.000 peak=1339 ppm1=4.764 ppm2=3.986

assign ( resid 77 and name HA
	 )
       ( resid 76 and name HA
	 ) 4.7 2.8 2.8 volume=18696672.000 peak=1341 ppm1=4.732 ppm2=4.381

assign ( resid 78 and name HD2
	 )
       ( resid 76 and name HA
	 ) 5.2 3.3 3.3 volume=15794896.000 peak=1342 ppm1=3.657 ppm2=4.380

assign ( resid 76 and name HA
	 )
       ( resid 76 and name HB2
	 or resid 76 and name HB3
	 ) 2.3 0.7 0.7 volume=116027416.000 peak=1343 ppm1=4.376 ppm2=3.948

assign ( resid 74 and name HB3
	 )
       ( resid 74 and name HA
	 ) 3.0 1.1 1.1 volume=114217680.000 peak=1344 ppm1=2.831 ppm2=4.569

assign ( resid 73 and name HB#
	 )
       ( resid 74 and name HA
	 ) 3.9 1.9 1.9 volume=21128502.000 peak=1346 ppm1=1.356 ppm2=4.571

assign ( resid 74 and name HA
	 )
       ( resid 73 and name HA
	 ) 4.2 2.2 2.2 volume=20368754.000 peak=1348 ppm1=4.562 ppm2=4.138

assign ( resid 80 and name HB#
	 )
       ( resid 81 and name HB3
	 or resid 81 and name HB2
	 ) 4.4 2.6 2.5 volume=13560139.000 peak=1349 ppm1=1.422 ppm2=2.923

assign ( resid 29 and name HB3
	 )
       ( resid 30 and name HA
	 ) 4.4 2.5 2.5 volume=14985827.000 peak=1351 ppm1=2.618 ppm2=4.270

assign ( resid 29 and name HB2
	 )
       ( resid 30 and name HA
	 ) 4.9 3.0 3.0 volume=10382189.000 peak=1352 ppm1=2.797 ppm2=4.276

assign ( resid 30 and name HA
	 )
       ( resid 30 and name HB3
	 or resid 30 and name HB2
	 ) 2.5 0.8 0.8 volume=228119456.000 peak=1353 ppm1=4.258 ppm2=4.006

assign ( resid 35 and name HB2
	 or resid 35 and name HB3
	 )
       ( resid 35 and name HA
	 ) 2.5 0.8 0.8 volume=174746688.000 peak=1355 ppm1=3.982 ppm2=4.122

assign ( resid 21 and name HB2
	 or resid 21 and name HB3
	 )
       ( resid 21 and name HA
	 ) 3.4 1.4 1.4 volume=32104748.000 peak=1356 ppm1=3.287 ppm2=4.470

assign ( resid 24 and name HD2#
	 )
       ( resid 21 and name HA
	 ) 2.9 1.1 1.1 volume=57967912.000 peak=1357 ppm1=0.837 ppm2=4.479

assign ( resid 61 and name HA
	 )
       ( resid 61 and name HB3
	 ) 3.6 1.6 1.6 volume=51363800.000 peak=1358 ppm1=4.347 ppm2=2.632

assign ( resid 62 and name HA
	 )
       ( resid 61 and name HB3
	 ) 3.7 1.7 1.7 volume=35869004.000 peak=1359 ppm1=4.162 ppm2=2.637

assign ( resid 56 and name HD1#
	 )
       ( resid 28 and name HA
	 ) 2.3 0.7 0.7 volume=113387960.000 peak=1363 ppm1=0.845 ppm2=3.493

assign ( resid 31 and name HB2
	 )
       ( resid 28 and name HA
	 ) 3.0 1.2 1.2 volume=34827716.000 peak=1364 ppm1=1.559 ppm2=3.494

assign ( resid 31 and name HA
	 )
       ( resid 28 and name HA
	 ) 5.1 3.2 3.2 volume=17336168.000 peak=1366 ppm1=4.209 ppm2=3.493

assign ( resid 28 and name HB
	 )
       ( resid 28 and name HG2#
	 ) 2.1 0.6 0.6 volume=37246980.000 peak=1367 ppm1=2.335 ppm2=1.125

assign ( resid 28 and name HB
	 )
       ( resid 28 and name HA
	 ) 3.2 1.3 1.3 volume=12220042.000 peak=1369 ppm1=2.335 ppm2=3.494

assign ( resid 28 and name HG2#
	 )
       ( resid 28 and name HA
	 ) 2.4 0.7 0.7 volume=80652744.000 peak=1372 ppm1=1.122 ppm2=3.494

assign ( resid 25 and name HA
	 )
       ( resid 28 and name HG2#
	 ) 3.1 1.2 1.2 volume=32426898.000 peak=1374 ppm1=3.899 ppm2=1.125

assign ( resid 24 and name HA
	 )
       ( resid 28 and name HG2#
	 ) 3.5 1.5 1.5 volume=26457076.000 peak=1375 ppm1=4.127 ppm2=1.126

assign ( resid 100 and name HB2
	 )
       ( resid 28 and name HG2#
	 ) 3.1 1.2 2.9 volume=70354096.000 peak=1376 ppm1=1.926 ppm2=1.125

assign ( resid 41 and name HA
	 )
       ( resid 41 and name HB2
	 or resid 41 and name HB3
	 ) 2.5 0.8 0.8 volume=46395472.000 peak=1380 ppm1=4.289 ppm2=1.773

assign ( resid 37 and name HG
	 )
       ( resid 37 and name HA
	 ) 2.6 0.8 0.8 volume=111857520.000 peak=1381 ppm1=1.768 ppm2=4.431

assign ( resid 56 and name HD2#
	 )
       ( resid 56 and name HB3
	 ) 3.1 1.2 1.2 volume=28571502.000 peak=1384 ppm1=0.845 ppm2=1.203

assign ( resid 56 and name HB2
	 or resid 56 and name HB3
	 )
       ( resid 56 and name HA
	 ) 3.1 1.2 1.2 volume=11033796.000 peak=1385 ppm1=1.193 ppm2=4.155

assign ( resid 57 and name HB2
	 )
       ( resid 56 and name HB2
	 ) 4.2 2.2 2.2 volume=18025580.000 peak=1386 ppm1=1.970 ppm2=1.205

assign ( resid 53 and name HA
	 )
       ( resid 56 and name HB2
	 ) 3.6 1.6 1.6 volume=7430228.000 peak=1387 ppm1=3.922 ppm2=1.205

assign ( resid 24 and name HG
	 )
       ( resid 24 and name HA
	 ) 3.2 1.3 1.3 volume=36694096.000 peak=1388 ppm1=1.340 ppm2=4.119

assign ( resid 24 and name HG
	 )
       ( resid 24 and name HB3
	 or resid 24 and name HB2
	 ) 2.7 0.9 0.9 volume=67990752.000 peak=1389 ppm1=1.346 ppm2=1.952

assign ( resid 31 and name HB3
	 )
       ( resid 28 and name HA
	 ) 3.2 1.3 1.3 volume=15010571.000 peak=1391 ppm1=1.946 ppm2=3.494

assign ( resid 21 and name HA
	 )
       ( resid 24 and name HB3
	 ) 4.5 2.5 2.5 volume=26889082.000 peak=1392 ppm1=4.471 ppm2=1.948

assign ( resid 24 and name HG
	 )
       ( resid 24 and name HD1#
	 ) 2.1 0.6 0.6 volume=79619088.000 peak=1393 ppm1=1.351 ppm2=0.825

assign ( resid 21 and name HA
	 )
       ( resid 24 and name HD1#
	 ) 4.4 2.4 2.4 volume=21745024.000 peak=1394 ppm1=4.478 ppm2=0.824

assign ( resid 63 and name HB3
	 or resid 63 and name HB2
	 )
       ( resid 24 and name HD2#
	 ) 2.9 1.1 1.1 volume=57157608.000 peak=1395 ppm1=2.904 ppm2=0.843

assign ( resid 66 and name HB#
	 )
       ( resid 65 and name HB2
	 ) 4.4 2.5 2.5 volume=17287750.000 peak=1396 ppm1=1.573 ppm2=2.855

assign ( resid 37 and name HD1#
	 )
       ( resid 37 and name HG
	 ) 1.8 0.4 0.4 volume=224159328.000 peak=1398 ppm1=0.861 ppm2=1.771

assign ( resid 67 and name HD1#
	 )
       ( resid 67 and name HA
	 ) 2.5 0.8 0.8 volume=69893088.000 peak=1399 ppm1=0.743 ppm2=3.861

assign ( resid 67 and name HG
	 )
       ( resid 67 and name HA
	 ) 3.1 1.2 1.2 volume=50972812.000 peak=1400 ppm1=1.634 ppm2=3.863

assign ( resid 17 and name HD2#
	 )
       ( resid 67 and name HA
	 ) 2.9 1.0 1.0 volume=77223240.000 peak=1401 ppm1=0.898 ppm2=3.862

assign ( resid 68 and name HA
	 )
       ( resid 67 and name HD2#
	 ) 4.0 2.0 2.0 volume=32303176.000 peak=1402 ppm1=4.196 ppm2=0.719

assign ( resid 86 and name HA
	 )
       ( resid 67 and name HD2#
	 ) 3.9 1.9 1.9 volume=21227776.000 peak=1404 ppm1=3.698 ppm2=0.720

assign ( resid 67 and name HG
	 )
       ( resid 67 and name HD2#
	 ) 2.0 0.5 0.5 volume=136363392.000 peak=1405 ppm1=1.606 ppm2=0.719

assign ( resid 86 and name HG3
	 )
       ( resid 67 and name HD2#
	 ) 3.9 1.9 1.9 volume=15752802.000 peak=1406 ppm1=1.167 ppm2=0.720

assign ( resid 86 and name HA
	 )
       ( resid 67 and name HD1#
	 ) 3.4 1.4 1.4 volume=32158296.000 peak=1408 ppm1=3.695 ppm2=0.766

assign ( resid 114 and name HB2
	 )
       ( resid 114 and name HA
	 ) 2.2 0.6 0.6 volume=451616896.000 peak=1409 ppm1=2.057 ppm2=4.348

assign ( resid 70 and name HD2#
	 or resid 70 and name HD1#
	 )
       ( resid 70 and name HG
	 ) 2.0 0.5 0.5 volume=132989016.000 peak=1410 ppm1=0.909 ppm2=2.068

assign ( resid 70 and name HG
	 )
       ( resid 70 and name HD2#
	 ) 2.0 0.5 0.5 volume=173059984.000 peak=1411 ppm1=2.068 ppm2=0.907

assign ( resid 14 and name HD2#
	 )
       ( resid 17 and name HB2
	 or resid 17 and name HB3
	 ) 3.7 1.8 1.8 volume=25656892.000 peak=1413 ppm1=0.712 ppm2=1.751

assign ( resid 17 and name HA
	 )
       ( resid 17 and name HG
	 ) 3.3 1.3 1.3 volume=50912656.000 peak=1415 ppm1=4.053 ppm2=1.722

assign ( resid 97 and name HB
	 )
       ( resid 98 and name HA
	 ) 4.0 2.0 2.0 volume=23462594.000 peak=1417 ppm1=4.571 ppm2=4.094

assign ( resid 90 and name HB2
	 )
       ( resid 87 and name HG2
	 or resid 87 and name HG3
	 ) 4.7 2.7 2.7 volume=9812602.000 peak=1419 ppm1=3.409 ppm2=2.397

assign ( resid 42 and name HG3
	 )
       ( resid 42 and name HG2
	 ) 1.8 0.4 0.4 volume=349417760.000 peak=1420 ppm1=2.533 ppm2=2.407

assign ( resid 42 and name HA
	 )
       ( resid 42 and name HG3
	 ) 3.7 1.7 1.7 volume=36332452.000 peak=1421 ppm1=4.530 ppm2=2.532

assign ( resid 43 and name HD2
	 or resid 43 and name HD3
	 )
       ( resid 42 and name HA
	 ) 2.7 0.9 0.9 volume=67449376.000 peak=1422 ppm1=3.918 ppm2=4.534

assign ( resid 42 and name HG2
	 )
       ( resid 42 and name HA
	 ) 3.8 1.8 1.8 volume=32347940.000 peak=1423 ppm1=2.406 ppm2=4.532

assign ( resid 43 and name HG2
	 )
       ( resid 43 and name HD3
	 ) 3.3 1.4 1.4 volume=20069940.000 peak=1426 ppm1=2.230 ppm2=3.988

assign ( resid 42 and name HA
	 )
       ( resid 43 and name HD2
	 ) 3.0 1.1 1.1 volume=32237348.000 peak=1427 ppm1=4.522 ppm2=3.899

assign ( resid 42 and name HA
	 )
       ( resid 43 and name HD3
	 ) 3.3 1.3 1.3 volume=29395490.000 peak=1428 ppm1=4.521 ppm2=3.985

assign ( resid 43 and name HG2
	 )
       ( resid 43 and name HD2
	 ) 3.8 1.8 1.8 volume=24494576.000 peak=1429 ppm1=2.225 ppm2=3.897

assign ( resid 69 and name HA
	 )
       ( resid 69 and name HG2
	 ) 2.9 1.1 1.1 volume=51183184.000 peak=1431 ppm1=4.237 ppm2=1.506

assign ( resid 69 and name HA
	 )
       ( resid 69 and name HG3
	 ) 3.2 1.3 1.3 volume=45361768.000 peak=1432 ppm1=4.246 ppm2=1.616

assign ( resid 38 and name HG2
	 or resid 38 and name HG3
	 )
       ( resid 38 and name HB3
	 ) 2.8 1.0 1.0 volume=93339520.000 peak=1434 ppm1=1.515 ppm2=1.919

assign ( resid 38 and name HA
	 )
       ( resid 38 and name HB2
	 ) 2.9 1.0 1.0 volume=74038440.000 peak=1435 ppm1=4.082 ppm2=1.867

assign ( resid 38 and name HA
	 )
       ( resid 38 and name HB3
	 ) 2.9 1.0 1.0 volume=84397632.000 peak=1436 ppm1=4.083 ppm2=1.920

assign ( resid 38 and name HG2
	 or resid 38 and name HG3
	 )
       ( resid 38 and name HB2
	 ) 2.5 0.8 0.8 volume=153347872.000 peak=1437 ppm1=1.514 ppm2=1.866

assign ( resid 38 and name HG2
	 or resid 38 and name HG3
	 )
       ( resid 38 and name HE3
	 or resid 38 and name HE2
	 ) 2.6 0.8 0.8 volume=74975184.000 peak=1438 ppm1=1.515 ppm2=3.040

assign ( resid 38 and name HD3
	 or resid 38 and name HD2
	 )
       ( resid 38 and name HE3
	 or resid 38 and name HE2
	 ) 2.1 0.5 0.5 volume=210934832.000 peak=1440 ppm1=1.724 ppm2=3.043

assign ( resid 54 and name HA
	 )
       ( resid 57 and name HB2
	 ) 3.4 1.4 1.4 volume=36823396.000 peak=1445 ppm1=3.624 ppm2=1.960

assign ( resid 57 and name HA
	 )
       ( resid 57 and name HD3
	 or resid 57 and name HD2
	 ) 5.4 3.6 3.6 volume=17081282.000 peak=1447 ppm1=3.887 ppm2=1.583

assign ( resid 72 and name HA
	 )
       ( resid 72 and name HB2
	 ) 3.2 1.3 1.3 volume=28885098.000 peak=1449 ppm1=3.655 ppm2=1.512

assign ( resid 72 and name HG2
	 )
       ( resid 72 and name HB2
	 ) 3.2 1.3 1.3 volume=24258582.000 peak=1451 ppm1=1.096 ppm2=1.513

assign ( resid 72 and name HG3
	 )
       ( resid 72 and name HB2
	 ) 3.8 1.8 1.8 volume=25449100.000 peak=1452 ppm1=1.222 ppm2=1.514

assign ( resid 72 and name HG3
	 )
       ( resid 72 and name HB3
	 ) 3.3 1.4 1.4 volume=22372464.000 peak=1453 ppm1=1.222 ppm2=1.577

assign ( resid 72 and name HG2
	 )
       ( resid 72 and name HB3
	 ) 3.8 1.8 1.8 volume=23100022.000 peak=1454 ppm1=1.098 ppm2=1.575

assign ( resid 72 and name HA
	 )
       ( resid 72 and name HG2
	 ) 3.6 1.7 1.7 volume=23077826.000 peak=1456 ppm1=3.659 ppm2=1.101

assign ( resid 72 and name HG3
	 )
       ( resid 72 and name HE2
	 ) 2.5 0.8 0.8 volume=34070356.000 peak=1460 ppm1=1.223 ppm2=2.939

assign ( resid 72 and name HG3
	 )
       ( resid 72 and name HA
	 ) 3.8 1.8 1.8 volume=17047934.000 peak=1462 ppm1=1.217 ppm2=3.655

assign ( resid 72 and name HD2
	 or resid 72 and name HD3
	 )
       ( resid 72 and name HG3
	 ) 2.8 1.0 1.0 volume=57218480.000 peak=1464 ppm1=1.579 ppm2=1.226

assign ( resid 72 and name HG2
	 )
       ( resid 72 and name HD2
	 or resid 72 and name HD3
	 ) 2.9 1.1 1.1 volume=55676368.000 peak=1465 ppm1=1.095 ppm2=1.582

assign ( resid 86 and name HE2
	 )
       ( resid 86 and name HA
	 ) 5.3 3.5 3.5 volume=14593600.000 peak=1471 ppm1=2.957 ppm2=3.697

assign ( resid 82 and name HD#
	 )
       ( resid 86 and name HA
	 ) 5.0 3.1 3.1 volume=7270516.500 peak=1472 ppm1=7.090 ppm2=3.694

assign ( resid 67 and name HD2#
	 )
       ( resid 86 and name HB3
	 ) 5.0 3.1 3.1 volume=14940013.000 peak=1473 ppm1=0.733 ppm2=1.711

assign ( resid 67 and name HD2#
	 )
       ( resid 86 and name HB2
	 ) 4.7 2.7 2.7 volume=15253606.000 peak=1474 ppm1=0.734 ppm2=1.763

assign ( resid 86 and name HG3
	 )
       ( resid 86 and name HB2
	 ) 3.9 1.9 1.9 volume=17999194.000 peak=1476 ppm1=1.157 ppm2=1.757

assign ( resid 86 and name HD3
	 )
       ( resid 86 and name HB3
	 ) 3.4 1.4 1.4 volume=20723892.000 peak=1477 ppm1=1.327 ppm2=1.707

assign ( resid 86 and name HD3
	 or resid 86 and name HD2
	 )
       ( resid 86 and name HB2
	 ) 4.0 2.0 2.0 volume=19016020.000 peak=1478 ppm1=1.325 ppm2=1.758

assign ( resid 86 and name HA
	 )
       ( resid 86 and name HG3
	 ) 3.4 1.4 1.4 volume=19391872.000 peak=1479 ppm1=3.693 ppm2=1.159

assign ( resid 86 and name HB3
	 )
       ( resid 86 and name HG3
	 ) 2.7 0.9 0.9 volume=62190472.000 peak=1480 ppm1=1.724 ppm2=1.161

assign ( resid 86 and name HB3
	 or resid 86 and name HB2
	 )
       ( resid 86 and name HG2
	 ) 2.7 0.9 0.9 volume=70382592.000 peak=1481 ppm1=1.729 ppm2=1.326

assign ( resid 86 and name HE2
	 )
       ( resid 86 and name HG3
	 ) 5.0 3.1 3.1 volume=14546250.000 peak=1482 ppm1=2.982 ppm2=1.166

assign ( resid 86 and name HE2
	 )
       ( resid 86 and name HG2
	 ) 3.5 1.5 1.5 volume=18807062.000 peak=1483 ppm1=2.971 ppm2=1.324

assign ( resid 86 and name HG2
	 )
       ( resid 86 and name HA
	 ) 3.4 1.5 1.5 volume=20836944.000 peak=1484 ppm1=1.322 ppm2=3.693

assign ( resid 83 and name HA
	 )
       ( resid 86 and name HG2
	 ) 6.1 4.7 4.7 volume=8581244.000 peak=1485 ppm1=4.311 ppm2=1.323

assign ( resid 82 and name HD#
	 )
       ( resid 86 and name HG2
	 ) 4.6 2.6 2.6 volume=8251670.500 peak=1486 ppm1=7.089 ppm2=1.326

assign ( resid 82 and name HE#
	 )
       ( resid 86 and name HG2
	 ) 5.2 3.4 3.4 volume=6785984.000 peak=1487 ppm1=6.788 ppm2=1.338

assign ( resid 107 and name HG13
	 )
       ( resid 107 and name HA
	 ) 2.7 0.9 0.9 volume=57558520.000 peak=1489 ppm1=1.352 ppm2=4.139

assign ( resid 107 and name HG12
	 )
       ( resid 107 and name HA
	 ) 3.1 1.2 1.2 volume=60033852.000 peak=1490 ppm1=1.656 ppm2=4.139

assign ( resid 107 and name HA
	 )
       ( resid 107 and name HB
	 ) 2.7 0.9 0.9 volume=108985696.000 peak=1491 ppm1=4.134 ppm2=2.021

assign ( resid 60 and name HA
	 )
       ( resid 60 and name HB
	 ) 3.2 1.3 1.3 volume=15843124.000 peak=1494 ppm1=3.473 ppm2=2.028

assign ( resid 57 and name HA
	 )
       ( resid 60 and name HB
	 ) 3.1 1.2 1.2 volume=35742000.000 peak=1495 ppm1=3.883 ppm2=2.031

assign ( resid 107 and name HA
	 )
       ( resid 107 and name HG2#
	 ) 2.6 0.8 0.8 volume=74004304.000 peak=1497 ppm1=4.129 ppm2=0.968

assign ( resid 50 and name HB3
	 )
       ( resid 107 and name HG2#
	 ) 3.9 1.9 1.9 volume=41311192.000 peak=1498 ppm1=3.260 ppm2=0.968

assign ( resid 50 and name HB2
	 )
       ( resid 107 and name HG2#
	 ) 2.8 1.0 1.0 volume=34137724.000 peak=1499 ppm1=3.141 ppm2=0.968

assign ( resid 107 and name HB
	 )
       ( resid 107 and name HG2#
	 ) 1.9 0.5 0.5 volume=112226368.000 peak=1500 ppm1=2.019 ppm2=0.969

assign ( resid 107 and name HG12
	 )
       ( resid 107 and name HG2#
	 ) 3.2 1.3 1.3 volume=61848436.000 peak=1501 ppm1=1.657 ppm2=0.968

assign ( resid 107 and name HG2#
	 )
       ( resid 107 and name HG13
	 ) 2.4 0.7 0.7 volume=74368832.000 peak=1502 ppm1=0.953 ppm2=1.367

assign ( resid 107 and name HG13
	 )
       ( resid 107 and name HB
	 ) 3.4 1.4 1.4 volume=20499386.000 peak=1503 ppm1=1.361 ppm2=2.023

assign ( resid 50 and name HD#
	 )
       ( resid 107 and name HG12
	 ) 5.5 3.7 3.7 volume=7326661.000 peak=1505 ppm1=7.064 ppm2=1.649

assign ( resid 95 and name HA
	 )
       ( resid 95 and name HB3
	 ) 3.2 1.3 1.3 volume=61862320.000 peak=1506 ppm1=4.124 ppm2=2.131

assign ( resid 60 and name HA
	 )
       ( resid 60 and name HG2#
	 ) 2.4 0.7 0.7 volume=106468568.000 peak=1507 ppm1=3.468 ppm2=1.007

assign ( resid 63 and name HA
	 )
       ( resid 60 and name HA
	 ) 5.5 3.8 3.8 volume=10138236.000 peak=1509 ppm1=4.497 ppm2=3.467

assign ( resid 97 and name HA
	 )
       ( resid 60 and name HG2#
	 ) 4.0 2.0 2.0 volume=14355056.000 peak=1512 ppm1=3.687 ppm2=1.005

assign ( resid 61 and name HA
	 )
       ( resid 60 and name HG2#
	 ) 3.9 1.9 1.9 volume=14181754.000 peak=1513 ppm1=4.362 ppm2=1.008

assign ( resid 97 and name HB
	 )
       ( resid 60 and name HG2#
	 ) 5.0 3.2 3.2 volume=8500011.000 peak=1514 ppm1=4.533 ppm2=1.007

assign ( resid 93 and name HA
	 )
       ( resid 60 and name HG2#
	 ) 3.6 1.6 1.6 volume=18315512.000 peak=1515 ppm1=3.962 ppm2=1.008

assign ( resid 57 and name HA
	 )
       ( resid 60 and name HG2#
	 ) 4.1 2.1 2.1 volume=24576538.000 peak=1516 ppm1=3.871 ppm2=1.007

assign ( resid 97 and name HG2#
	 )
       ( resid 60 and name HG2#
	 ) 3.2 1.3 1.3 volume=40632936.000 peak=1517 ppm1=1.251 ppm2=1.006

assign ( resid 60 and name HD1#
	 )
       ( resid 60 and name HG2#
	 ) 2.1 0.6 0.6 volume=149592160.000 peak=1518 ppm1=0.790 ppm2=1.006

assign ( resid 50 and name HE#
	 )
       ( resid 54 and name HB
	 ) 6.6 5.4 5.4 volume=4676310.000 peak=1521 ppm1=6.834 ppm2=1.955

assign ( resid 57 and name HD3
	 or resid 57 and name HD2
	 )
       ( resid 54 and name HG2#
	 ) 4.3 2.3 2.3 volume=16971994.000 peak=1522 ppm1=1.585 ppm2=0.839

assign ( resid 86 and name HB3
	 or resid 86 and name HB2
	 )
       ( resid 90 and name HD2
	 ) 4.7 2.8 2.8 volume=26272562.000 peak=1525 ppm1=1.732 ppm2=7.091

assign ( resid 67 and name HD2#
	 )
       ( resid 90 and name HD2
	 ) 3.2 1.3 1.3 volume=27590676.000 peak=1526 ppm1=0.728 ppm2=7.092

assign ( resid 14 and name HB3
	 )
       ( resid 14 and name HD2#
	 ) 3.2 1.3 1.3 volume=77290408.000 peak=1527 ppm1=2.007 ppm2=0.704

assign ( resid 14 and name HD2#
	 )
       ( resid 14 and name HA
	 ) 2.5 0.8 0.8 volume=79004656.000 peak=1528 ppm1=0.701 ppm2=4.169

assign ( resid 86 and name HA
	 )
       ( resid 14 and name HD2#
	 ) 3.0 1.1 1.1 volume=28946492.000 peak=1529 ppm1=3.695 ppm2=0.704

assign ( resid 90 and name HE1
	 )
       ( resid 68 and name HG2
	 ) 5.5 3.9 3.8 volume=9851066.000 peak=1530 ppm1=8.093 ppm2=2.544

assign ( resid 72 and name HB3
	 )
       ( resid 72 and name HA
	 ) 3.3 1.4 1.4 volume=42990264.000 peak=1532 ppm1=1.552 ppm2=3.655

assign ( resid 79 and name HB
	 )
       ( resid 79 and name HG1#
	 ) 1.9 0.5 0.5 volume=187615232.000 peak=1533 ppm1=2.224 ppm2=1.052

assign ( resid 82 and name HE#
	 )
       ( resid 14 and name HB3
	 ) 4.7 3.0 2.8 volume=23234962.000 peak=1534 ppm1=6.784 ppm2=2.018

assign ( resid 62 and name HB3
	 )
       ( resid 60 and name HG13
	 or resid 60 and name HG12
	 ) 5.6 3.9 3.9 volume=8516218.000 peak=1536 ppm1=2.137 ppm2=1.171

assign ( resid 34 and name HA
	 )
       ( resid 34 and name HB2
	 ) 3.2 1.3 1.3 volume=60494496.000 peak=1538 ppm1=4.084 ppm2=2.275

assign ( resid 36 and name HG2
	 or resid 36 and name HG3
	 )
       ( resid 36 and name HA
	 ) 3.0 1.1 1.1 volume=132477744.000 peak=1539 ppm1=2.547 ppm2=4.353

assign ( resid 82 and name HE#
	 )
       ( resid 86 and name HB3
	 ) 6.1 4.8 4.6 volume=3979925.500 peak=1541 ppm1=6.795 ppm2=1.705

assign ( resid 64 and name HE3
	 or resid 64 and name HE2
	 )
       ( resid 64 and name HD3
	 or resid 64 and name HD2
	 ) 2.7 0.9 0.9 volume=92180552.000 peak=1543 ppm1=2.789 ppm2=1.738

assign ( resid 64 and name HB2
	 )
       ( resid 64 and name HE3
	 or resid 64 and name HE2
	 ) 4.4 2.4 2.4 volume=29293230.000 peak=1545 ppm1=2.001 ppm2=2.787

assign ( resid 69 and name HA
	 )
       ( resid 69 and name HE2
	 ) 5.1 3.3 3.3 volume=38422216.000 peak=1546 ppm1=4.256 ppm2=2.976

assign ( resid 86 and name HA
	 )
       ( resid 90 and name HD2
	 ) 5.5 3.7 3.7 volume=4917352.000 peak=1549 ppm1=3.705 ppm2=7.094

assign ( resid 112 and name HG13
	 )
       ( resid 111 and name HB2
	 ) 5.5 3.8 3.8 volume=9065572.000 peak=1551 ppm1=1.173 ppm2=2.744

assign ( resid 112 and name HG12
	 )
       ( resid 111 and name HB2
	 ) 6.4 5.2 5.2 volume=7002319.000 peak=1552 ppm1=1.435 ppm2=2.736

assign ( resid 86 and name HG3
	 )
       ( resid 86 and name HE3
	 ) 4.2 2.2 2.2 volume=33606104.000 peak=1553 ppm1=1.160 ppm2=3.048

assign ( resid 54 and name HA
	 )
       ( resid 50 and name HE#
	 ) 6.5 5.2 5.2 volume=6251111.000 peak=1554 ppm1=3.622 ppm2=6.837

assign ( resid 53 and name HB2
	 )
       ( resid 50 and name HE#
	 ) 5.2 3.4 3.4 volume=7878185.000 peak=1555 ppm1=2.960 ppm2=6.835

assign ( resid 50 and name HD#
	 )
       ( resid 50 and name HE#
	 ) 3.0 1.1 1.1 volume=110581360.000 peak=1556 ppm1=7.058 ppm2=6.833

assign ( resid 14 and name HA
	 )
       ( resid 82 and name HE#
	 ) 6.6 5.5 5.5 volume=5748011.500 peak=1557 ppm1=4.161 ppm2=6.795

assign ( resid 82 and name HA
	 )
       ( resid 82 and name HE#
	 ) 5.6 3.9 3.9 volume=8856994.000 peak=1558 ppm1=3.764 ppm2=6.793

assign ( resid 82 and name HE#
	 )
       ( resid 14 and name HB2
	 ) 6.1 4.7 4.7 volume=7315919.000 peak=1559 ppm1=6.783 ppm2=1.601

assign ( resid 34 and name HB3
	 )
       ( resid 34 and name HA
	 ) 1.9 0.4 4.1 volume=590909312.000 peak=1561 ppm1=2.175 ppm2=4.094

assign ( resid 118 and name HD3
	 )
       ( resid 118 and name HA
	 ) 4.0 2.0 2.0 volume=40510888.000 peak=1562 ppm1=3.793 ppm2=4.477

assign ( resid 118 and name HD2
	 )
       ( resid 118 and name HA
	 ) 3.7 1.7 1.7 volume=78983264.000 peak=1563 ppm1=3.635 ppm2=4.476

assign ( resid 117 and name HB#
	 )
       ( resid 118 and name HA
	 ) 3.7 1.7 1.7 volume=37614144.000 peak=1564 ppm1=1.370 ppm2=4.473

assign ( resid 118 and name HA
	 )
       ( resid 118 and name HG2
	 ) 5.1 3.2 3.2 volume=24755470.000 peak=1566 ppm1=4.474 ppm2=2.009

assign ( resid 95 and name HA
	 )
       ( resid 95 and name HB2
	 ) 2.7 0.9 0.9 volume=78993880.000 peak=1569 ppm1=4.128 ppm2=2.032

assign ( resid 95 and name HG3
	 )
       ( resid 95 and name HB3
	 ) 3.3 1.4 1.4 volume=42106768.000 peak=1570 ppm1=1.416 ppm2=2.132

assign ( resid 95 and name HG2
	 )
       ( resid 95 and name HB3
	 ) 2.9 1.0 1.0 volume=44106592.000 peak=1571 ppm1=1.572 ppm2=2.131

assign ( resid 95 and name HG2
	 )
       ( resid 95 and name HB2
	 ) 3.1 1.2 1.2 volume=66800052.000 peak=1572 ppm1=1.589 ppm2=2.036

assign ( resid 95 and name HA
	 )
       ( resid 95 and name HG3
	 ) 3.3 1.4 1.4 volume=32000964.000 peak=1573 ppm1=4.122 ppm2=1.409

assign ( resid 95 and name HA
	 )
       ( resid 95 and name HG2
	 ) 3.5 1.5 1.5 volume=45181016.000 peak=1574 ppm1=4.120 ppm2=1.567

assign ( resid 95 and name HE3
	 )
       ( resid 95 and name HG3
	 ) 4.0 2.0 2.0 volume=31630518.000 peak=1575 ppm1=2.907 ppm2=1.409

assign ( resid 95 and name HE2
	 )
       ( resid 95 and name HG2
	 ) 3.1 1.2 1.2 volume=46266828.000 peak=1576 ppm1=2.913 ppm2=1.568

assign ( resid 90 and name HE1
	 )
       ( resid 90 and name HD2
	 ) 6.1 4.7 4.7 volume=4652442.500 peak=1580 ppm1=8.138 ppm2=7.092

assign ( resid 19 and name HA
	 )
       ( resid 19 and name HB2
	 or resid 19 and name HB3
	 ) 2.7 0.9 0.9 volume=127653912.000 peak=1582 ppm1=4.112 ppm2=1.993

assign ( resid 67 and name HB3
	 )
       ( resid 67 and name HD1#
	 ) 2.3 0.6 0.6 volume=116869712.000 peak=1583 ppm1=1.599 ppm2=0.767

assign ( resid 49 and name HA
	 )
       ( resid 52 and name HB3
	 ) 2.6 0.8 0.8 volume=18813920.000 peak=1584 ppm1=3.583 ppm2=1.882

assign ( resid 107 and name HG13
	 )
       ( resid 104 and name HA
	 ) 4.2 2.2 2.2 volume=33268016.000 peak=1585 ppm1=1.363 ppm2=4.060

assign ( resid 32 and name HG
	 )
       ( resid 32 and name HD2#
	 ) 1.7 0.4 0.4 volume=307424032.000 peak=1586 ppm1=1.576 ppm2=0.869

assign ( resid 88 and name HB2
	 )
       ( resid 91 and name HG2#
	 ) 4.7 2.7 2.7 volume=36652524.000 peak=1589 ppm1=2.338 ppm2=1.294

assign ( resid 98 and name HG3
	 or resid 98 and name HG2
	 )
       ( resid 95 and name HG3
	 ) 4.8 2.9 2.9 volume=16470420.000 peak=1590 ppm1=2.628 ppm2=1.408

assign ( resid 2 and name HA
	 )
       ( resid 2 and name HB3
	 or resid 2 and name HB2
	 ) 3.4 1.5 1.5 volume=34651416.000 peak=1591 ppm1=4.486 ppm2=2.330

assign ( resid 83 and name HA
	 )
       ( resid 86 and name HG3
	 ) 5.7 4.1 4.1 volume=7960918.000 peak=1592 ppm1=4.314 ppm2=1.159

assign ( resid 67 and name HA
	 )
       ( resid 67 and name HB2
	 ) 3.4 1.4 1.4 volume=48535872.000 peak=1594 ppm1=3.863 ppm2=1.886

assign ( resid 90 and name HD2
	 )
       ( resid 87 and name HG2
	 or resid 87 and name HG3
	 ) 5.5 3.9 3.8 volume=10324478.000 peak=1595 ppm1=7.090 ppm2=2.397

assign ( resid 103 and name HA
	 )
       ( resid 103 and name HG
	 ) 4.1 2.1 2.1 volume=10331073.000 peak=1596 ppm1=4.344 ppm2=2.068

assign ( resid 28 and name HB
	 )
       ( resid 30 and name HA
	 ) 5.7 4.1 4.1 volume=11555552.000 peak=1597 ppm1=2.304 ppm2=4.275

assign ( resid 25 and name HA
	 )
       ( resid 28 and name HB
	 ) 2.9 1.0 1.0 volume=39283972.000 peak=1598 ppm1=3.900 ppm2=2.330

assign ( resid 34 and name HA
	 )
       ( resid 37 and name HD2#
	 ) 2.9 1.1 1.1 volume=121067424.000 peak=1599 ppm1=4.079 ppm2=1.018

assign ( resid 37 and name HA
	 )
       ( resid 37 and name HD2#
	 ) 2.6 0.9 0.9 volume=58398940.000 peak=1600 ppm1=4.429 ppm2=1.018

assign ( resid 37 and name HB3
	 )
       ( resid 37 and name HD2#
	 ) 2.1 0.5 0.5 volume=289520512.000 peak=1601 ppm1=1.914 ppm2=1.018

assign ( resid 37 and name HG
	 )
       ( resid 37 and name HD2#
	 ) 1.9 0.5 0.5 volume=135247760.000 peak=1602 ppm1=1.769 ppm2=1.018

assign ( resid 57 and name HG2
	 )
       ( resid 97 and name HG2#
	 ) 2.9 1.1 1.1 volume=42412368.000 peak=1607 ppm1=1.449 ppm2=1.235

assign ( resid 51 and name HB2
	 )
       ( resid 51 and name HA
	 ) 2.8 1.0 1.0 volume=77451064.000 peak=1608 ppm1=2.166 ppm2=3.862

assign ( resid 96 and name HB3
	 )
       ( resid 60 and name HD1#
	 ) 2.7 0.9 0.9 volume=37452076.000 peak=1609 ppm1=1.416 ppm2=0.783

assign ( resid 60 and name HA
	 )
       ( resid 60 and name HD1#
	 ) 4.1 2.1 2.1 volume=32464716.000 peak=1611 ppm1=3.469 ppm2=0.783

assign ( resid 57 and name HA
	 )
       ( resid 60 and name HD1#
	 ) 2.9 1.0 1.0 volume=44131728.000 peak=1612 ppm1=3.881 ppm2=0.783

assign ( resid 97 and name HA
	 )
       ( resid 60 and name HD1#
	 ) 2.9 1.1 1.1 volume=25463806.000 peak=1613 ppm1=3.686 ppm2=0.783

assign ( resid 60 and name HB
	 )
       ( resid 60 and name HD1#
	 ) 2.5 0.8 0.8 volume=51435236.000 peak=1615 ppm1=2.029 ppm2=0.783

assign ( resid 7 and name HB#
	 )
       ( resid 7 and name HA
	 ) 1.8 0.4 0.4 volume=586184960.000 peak=1616 ppm1=1.392 ppm2=4.268

assign ( resid 83 and name HA
	 )
       ( resid 86 and name HB3
	 ) 3.4 1.4 1.4 volume=19673338.000 peak=1617 ppm1=4.318 ppm2=1.707

assign ( resid 20 and name HG3
	 or resid 20 and name HG2
	 )
       ( resid 20 and name HD2
	 ) 2.5 0.8 0.8 volume=130402720.000 peak=1618 ppm1=1.817 ppm2=3.361

assign ( resid 20 and name HB2
	 or resid 20 and name HB3
	 )
       ( resid 20 and name HD2
	 ) 3.0 1.2 1.2 volume=76099168.000 peak=1619 ppm1=2.007 ppm2=3.361

assign ( resid 11 and name HD3
	 or resid 11 and name HD2
	 )
       ( resid 11 and name HA
	 ) 4.3 2.3 2.3 volume=78744728.000 peak=1620 ppm1=3.213 ppm2=4.350

assign ( resid 72 and name HA
	 )
       ( resid 72 and name HD2
	 or resid 72 and name HD3
	 ) 5.1 3.2 3.2 volume=20725284.000 peak=1622 ppm1=3.649 ppm2=1.584

assign ( resid 67 and name HB2
	 )
       ( resid 67 and name HD2#
	 ) 2.4 0.7 0.7 volume=85127552.000 peak=1623 ppm1=1.892 ppm2=0.719

assign ( resid 14 and name HB2
	 )
       ( resid 14 and name HD2#
	 ) 2.6 0.9 0.9 volume=65136864.000 peak=1624 ppm1=1.602 ppm2=0.704

assign ( resid 49 and name HA
	 )
       ( resid 49 and name HD1#
	 ) 4.1 2.1 2.1 volume=37511032.000 peak=1625 ppm1=3.584 ppm2=0.847

assign ( resid 49 and name HB
	 )
       ( resid 49 and name HA
	 ) 3.2 1.3 1.3 volume=34875628.000 peak=1626 ppm1=2.130 ppm2=3.582

assign ( resid 49 and name HG2#
	 )
       ( resid 49 and name HA
	 ) 2.6 0.9 0.9 volume=62150016.000 peak=1628 ppm1=0.969 ppm2=3.582

assign ( resid 45 and name HB2
	 or resid 45 and name HB3
	 )
       ( resid 40 and name HA
	 ) 2.9 1.0 1.0 volume=85064016.000 peak=1630 ppm1=2.056 ppm2=4.127

assign ( resid 73 and name HB#
	 )
       ( resid 71 and name HB3
	 ) 5.1 3.3 3.3 volume=14001847.000 peak=1631 ppm1=1.356 ppm2=3.988

assign ( resid 107 and name HG12
	 )
       ( resid 107 and name HD1#
	 ) 2.0 0.5 0.5 volume=156285456.000 peak=1632 ppm1=1.653 ppm2=0.939

assign ( resid 107 and name HB
	 )
       ( resid 107 and name HD1#
	 ) 2.4 0.7 0.7 volume=113993488.000 peak=1633 ppm1=2.020 ppm2=0.939

assign ( resid 107 and name HG13
	 )
       ( resid 107 and name HD1#
	 ) 2.1 0.6 0.6 volume=124295960.000 peak=1634 ppm1=1.360 ppm2=0.939

assign ( resid 107 and name HA
	 )
       ( resid 107 and name HD1#
	 ) 3.5 1.5 1.5 volume=97935568.000 peak=1635 ppm1=4.126 ppm2=0.939

assign ( resid 50 and name HB3
	 )
       ( resid 107 and name HD1#
	 ) 3.9 1.9 1.9 volume=52060588.000 peak=1636 ppm1=3.263 ppm2=0.939

assign ( resid 34 and name HB2
	 )
       ( resid 49 and name HD1#
	 ) 3.2 1.2 1.2 volume=55074088.000 peak=1639 ppm1=2.272 ppm2=0.846

assign ( resid 49 and name HB
	 )
       ( resid 49 and name HD1#
	 ) 2.5 0.8 0.8 volume=84318064.000 peak=1640 ppm1=2.140 ppm2=0.847

assign ( resid 49 and name HB
	 )
       ( resid 49 and name HG2#
	 ) 2.1 0.5 0.5 volume=113141344.000 peak=1643 ppm1=2.128 ppm2=0.903

assign ( resid 52 and name HB3
	 )
       ( resid 49 and name HG2#
	 ) 2.2 0.6 3.8 volume=294004832.000 peak=1644 ppm1=1.909 ppm2=0.896

assign ( resid 19 and name HB2
	 or resid 19 and name HB3
	 )
       ( resid 16 and name HA
	 ) 2.9 1.0 1.0 volume=92048768.000 peak=1645 ppm1=1.987 ppm2=4.122

assign ( resid 86 and name HG2
	 )
       ( resid 67 and name HD2#
	 ) 3.4 1.4 1.4 volume=22979846.000 peak=1646 ppm1=1.321 ppm2=0.719

assign ( resid 40 and name HB#
	 )
       ( resid 37 and name HD2#
	 ) 4.3 2.3 2.3 volume=24184936.000 peak=1650 ppm1=1.488 ppm2=1.019

assign ( resid 64 and name HB2
	 )
       ( resid 61 and name HA
	 ) 2.5 0.8 0.8 volume=104754968.000 peak=1651 ppm1=1.997 ppm2=4.353

assign ( resid 34 and name HB2
	 )
       ( resid 37 and name HD2#
	 ) 4.5 2.5 2.5 volume=62752576.000 peak=1652 ppm1=2.279 ppm2=1.018

assign ( resid 35 and name HB2
	 or resid 35 and name HB3
	 )
       ( resid 49 and name HD1#
	 ) 3.0 1.1 1.1 volume=95563184.000 peak=1655 ppm1=3.978 ppm2=0.847

assign ( resid 104 and name HB#
	 )
       ( resid 50 and name HA
	 ) 3.6 1.6 1.6 volume=20886658.000 peak=1656 ppm1=1.560 ppm2=4.016

assign ( resid 108 and name HA
	 )
       ( resid 107 and name HG2#
	 ) 3.0 1.1 1.1 volume=22992794.000 peak=1657 ppm1=4.272 ppm2=0.970

assign ( resid 35 and name HB2
	 or resid 35 and name HB3
	 )
       ( resid 49 and name HG2#
	 ) 2.9 1.0 1.0 volume=80414768.000 peak=1658 ppm1=3.993 ppm2=0.901

assign ( resid 50 and name HB3
	 )
       ( resid 49 and name HG2#
	 ) 4.8 2.8 2.8 volume=24556756.000 peak=1659 ppm1=3.254 ppm2=0.903

assign ( resid 53 and name HB3
	 )
       ( resid 49 and name HG2#
	 ) 3.1 1.2 1.2 volume=22178982.000 peak=1660 ppm1=3.171 ppm2=0.903

assign ( resid 107 and name HD1#
	 )
       ( resid 50 and name HA
	 ) 2.8 1.0 1.0 volume=72388784.000 peak=1661 ppm1=0.951 ppm2=4.019

assign ( resid 40 and name HB#
	 )
       ( resid 49 and name HD1#
	 ) 1.7 0.4 4.3 volume=193569344.000 peak=1663 ppm1=1.470 ppm2=0.846

assign ( resid 100 and name HB3
	 )
       ( resid 60 and name HD1#
	 ) 2.5 0.8 3.5 volume=101215488.000 peak=1664 ppm1=1.900 ppm2=0.783

assign ( resid 49 and name HD1#
	 )
       ( resid 35 and name HA
	 ) 2.4 0.7 0.7 volume=108119656.000 peak=1666 ppm1=0.854 ppm2=4.121

assign ( resid 13 and name HA
	 )
       ( resid 16 and name HB#
	 ) 2.6 0.9 0.9 volume=89044768.000 peak=1667 ppm1=4.352 ppm2=1.481

assign ( resid 16 and name HA
	 )
       ( resid 16 and name HB#
	 ) 2.0 0.5 0.5 volume=255320096.000 peak=1668 ppm1=4.122 ppm2=1.480

assign ( resid 107 and name HD1#
	 )
       ( resid 104 and name HA
	 ) 2.5 0.8 0.8 volume=88278224.000 peak=1670 ppm1=0.958 ppm2=4.059

assign ( resid 79 and name HG1#
	 )
       ( resid 80 and name HB#
	 ) 3.5 1.6 1.6 volume=25433092.000 peak=1671 ppm1=1.053 ppm2=1.422

assign ( resid 67 and name HB2
	 )
       ( resid 67 and name HD1#
	 ) 3.1 1.2 1.2 volume=67256776.000 peak=1672 ppm1=1.886 ppm2=0.767

assign ( resid 68 and name HA
	 )
       ( resid 67 and name HD1#
	 ) 4.1 2.1 2.1 volume=22548220.000 peak=1673 ppm1=4.184 ppm2=0.766

assign ( resid 86 and name HB2
	 )
       ( resid 14 and name HD2#
	 ) 2.3 0.7 0.7 volume=87784976.000 peak=1674 ppm1=1.735 ppm2=0.703

assign ( resid 50 and name HE#
	 )
       ( resid 108 and name HB3
	 ) 2.0 0.5 4.0 volume=9288688.000 peak=1675 ppm1=6.841 ppm2=3.925

assign ( resid 50 and name HE#
	 )
       ( resid 108 and name HB2
	 ) 2.1 0.6 3.9 volume=9316212.000 peak=1676 ppm1=6.839 ppm2=3.849

assign ( resid 17 and name HB3
	 )
       ( resid 17 and name HD2#
	 ) 2.2 0.6 0.6 volume=167749024.000 peak=1677 ppm1=1.760 ppm2=0.889

assign ( resid 107 and name HB
	 )
       ( resid 104 and name HA
	 ) 3.1 1.2 1.2 volume=38598144.000 peak=1678 ppm1=2.019 ppm2=4.064

assign ( resid 94 and name HA
	 )
       ( resid 96 and name HB3
	 ) 5.2 3.4 3.4 volume=19827640.000 peak=1679 ppm1=4.475 ppm2=1.348

assign ( resid 95 and name HA
	 )
       ( resid 96 and name HB3
	 ) 5.1 3.3 3.3 volume=22467028.000 peak=1680 ppm1=4.118 ppm2=1.345

assign ( resid 34 and name HG2
	 or resid 34 and name HG3
	 )
       ( resid 37 and name HD2#
	 ) 4.1 2.1 2.1 volume=38921136.000 peak=1681 ppm1=2.474 ppm2=1.017

assign ( resid 86 and name HG3
	 )
       ( resid 14 and name HD1#
	 ) 4.8 2.8 2.8 volume=16917756.000 peak=1682 ppm1=1.162 ppm2=0.637

assign ( resid 17 and name HD2#
	 )
       ( resid 13 and name HA
	 ) 4.4 2.4 2.4 volume=12787822.000 peak=1683 ppm1=0.883 ppm2=4.354

assign ( resid 90 and name HB3
	 )
       ( resid 87 and name HA
	 ) 3.8 1.8 1.8 volume=113916640.000 peak=1684 ppm1=3.308 ppm2=4.177

assign ( resid 88 and name HA
	 )
       ( resid 91 and name HB
	 ) 2.6 0.8 0.8 volume=142120624.000 peak=1685 ppm1=4.074 ppm2=4.286

assign ( resid 93 and name HB2
	 )
       ( resid 90 and name HA
	 ) 3.5 1.5 1.5 volume=28495348.000 peak=1686 ppm1=1.293 ppm2=3.999

assign ( resid 86 and name HG3
	 )
       ( resid 14 and name HD2#
	 ) 4.2 2.3 2.3 volume=21666842.000 peak=1687 ppm1=1.157 ppm2=0.705

assign ( resid 86 and name HG3
	 )
       ( resid 67 and name HD1#
	 ) 3.9 1.9 1.9 volume=25653952.000 peak=1688 ppm1=1.163 ppm2=0.770

assign ( resid 86 and name HG2
	 )
       ( resid 67 and name HD1#
	 ) 2.9 1.0 1.0 volume=27399754.000 peak=1689 ppm1=1.328 ppm2=0.764

assign ( resid 64 and name HD3
	 or resid 64 and name HD2
	 )
       ( resid 61 and name HA
	 ) 3.2 1.3 1.3 volume=89620592.000 peak=1690 ppm1=1.734 ppm2=4.357

assign ( resid 60 and name HD1#
	 )
       ( resid 97 and name HG2#
	 ) 3.5 1.5 1.5 volume=21811686.000 peak=1691 ppm1=0.789 ppm2=1.235

assign ( resid 60 and name HG13
	 or resid 60 and name HG12
	 )
       ( resid 60 and name HD1#
	 ) 2.4 0.7 0.7 volume=53628632.000 peak=1692 ppm1=1.119 ppm2=0.783

assign ( resid 89 and name HB3
	 )
       ( resid 86 and name HA
	 ) 3.9 1.9 1.9 volume=24965652.000 peak=1693 ppm1=1.982 ppm2=3.694

assign ( resid 43 and name HG3
	 )
       ( resid 43 and name HA
	 ) 3.4 1.4 1.4 volume=150655392.000 peak=1694 ppm1=2.013 ppm2=4.159

assign ( resid 28 and name HG1#
	 )
       ( resid 28 and name HG2#
	 ) 1.7 0.3 0.3 volume=250518320.000 peak=1695 ppm1=0.937 ppm2=1.125

assign ( resid 86 and name HB3
	 )
       ( resid 14 and name HD1#
	 ) 3.1 1.2 1.2 volume=79719848.000 peak=1697 ppm1=1.716 ppm2=0.636

assign ( resid 56 and name HD2#
	 )
       ( resid 27 and name HB3
	 ) 3.3 1.4 1.4 volume=37601072.000 peak=1699 ppm1=0.849 ppm2=2.154

assign ( resid 28 and name HG2#
	 )
       ( resid 96 and name HD1#
	 ) 2.3 0.7 0.7 volume=42958408.000 peak=1700 ppm1=1.120 ppm2=0.780

assign ( resid 58 and name HG2
	 )
       ( resid 54 and name HG2#
	 ) 4.0 2.0 2.0 volume=24009768.000 peak=1701 ppm1=2.401 ppm2=0.837

assign ( resid 54 and name HG13
	 )
       ( resid 54 and name HG12
	 ) 1.9 0.5 0.5 volume=107016768.000 peak=1703 ppm1=1.063 ppm2=1.231

assign ( resid 96 and name HB2
	 )
       ( resid 28 and name HG2#
	 ) 3.5 1.5 1.5 volume=34918652.000 peak=1704 ppm1=2.107 ppm2=1.126

assign ( resid 100 and name HD2#
	 )
       ( resid 96 and name HA
	 ) 3.0 1.1 3.0 volume=100266872.000 peak=1705 ppm1=0.937 ppm2=4.290

assign ( resid 50 and name HE#
	 )
       ( resid 104 and name HB#
	 ) 2.1 0.5 0.5 volume=39603948.000 peak=1706 ppm1=6.838 ppm2=1.560

assign ( resid 67 and name HG
	 )
       ( resid 90 and name HE1
	 ) 5.1 3.3 3.3 volume=8753328.000 peak=1708 ppm1=1.611 ppm2=8.136

assign ( resid 67 and name HG
	 )
       ( resid 90 and name HD2
	 ) 4.5 2.5 2.5 volume=9167482.000 peak=1709 ppm1=1.616 ppm2=7.089

assign ( resid 86 and name HE2
	 )
       ( resid 14 and name HD1#
	 ) 4.1 2.1 2.1 volume=13571493.000 peak=1710 ppm1=2.959 ppm2=0.636

assign ( resid 85 and name HB3
	 )
       ( resid 14 and name HD1#
	 ) 3.4 1.4 1.4 volume=19796660.000 peak=1711 ppm1=2.161 ppm2=0.637

assign ( resid 25 and name HA
	 )
       ( resid 96 and name HD1#
	 ) 2.9 1.1 1.1 volume=31780298.000 peak=1713 ppm1=3.957 ppm2=0.780

assign ( resid 13 and name HB2
	 or resid 13 and name HB3
	 )
       ( resid 70 and name HD2#
	 ) 3.2 1.3 1.3 volume=35868560.000 peak=1714 ppm1=2.353 ppm2=0.903

assign ( resid 31 and name HD1#
	 )
       ( resid 53 and name HA
	 ) 2.6 0.9 0.9 volume=69210568.000 peak=1715 ppm1=1.005 ppm2=3.911

assign ( resid 86 and name HE3
	 )
       ( resid 14 and name HD2#
	 ) 4.0 2.0 2.0 volume=14842733.000 peak=1716 ppm1=3.080 ppm2=0.705

assign ( resid 96 and name HA
	 )
       ( resid 28 and name HG2#
	 ) 3.8 1.8 1.8 volume=20055198.000 peak=1717 ppm1=4.287 ppm2=1.125

assign ( resid 96 and name HA
	 )
       ( resid 96 and name HD1#
	 ) 3.8 1.8 1.8 volume=36586356.000 peak=1718 ppm1=4.288 ppm2=0.780

assign ( resid 60 and name HA
	 )
       ( resid 24 and name HD1#
	 ) 3.2 1.3 1.3 volume=35356120.000 peak=1720 ppm1=3.470 ppm2=0.826

assign ( resid 48 and name HE1
	 )
       ( resid 48 and name HD2
	 ) 6.2 4.9 4.9 volume=4885457.000 peak=1721 ppm1=8.240 ppm2=7.196

assign ( resid 35 and name HB2
	 or resid 35 and name HB3
	 )
       ( resid 103 and name HD1#
	 ) 2.9 1.0 1.0 volume=80830880.000 peak=1722 ppm1=3.976 ppm2=1.004

assign ( resid 86 and name HA
	 )
       ( resid 14 and name HD1#
	 ) 3.2 1.3 1.3 volume=25185000.000 peak=1723 ppm1=3.704 ppm2=0.637

assign ( resid 17 and name HG
	 )
       ( resid 63 and name HB2
	 ) 4.3 2.3 2.3 volume=8693381.000 peak=1724 ppm1=1.734 ppm2=2.895

assign ( resid 103 and name HD2#
	 )
       ( resid 106 and name HG2#
	 ) 3.0 1.2 1.2 volume=34191348.000 peak=1725 ppm1=0.864 ppm2=1.305

assign ( resid 64 and name H
	 )
       ( resid 61 and name HB3
	 ) 5.0 3.1 3.1 volume=21303.500 peak=1729 ppm1=9.033 ppm2=2.632

assign ( resid 82 and name HD#
	 )
       ( resid 82 and name HB2
	 ) 3.1 1.2 1.2 volume=166494.875 peak=1731 ppm1=7.075 ppm2=3.261

assign ( resid 82 and name HD#
	 )
       ( resid 82 and name HB3
	 ) 3.3 1.3 1.3 volume=119664.875 peak=1732 ppm1=7.079 ppm2=2.966

assign ( resid 50 and name HB2
	 )
       ( resid 50 and name HD#
	 ) 3.5 1.6 1.5 volume=85701.125 peak=1733 ppm1=3.140 ppm2=7.071

assign ( resid 45 and name H
	 )
       ( resid 46 and name H
	 ) 2.5 0.8 0.8 volume=60024.875 peak=1742 ppm1=7.749 ppm2=8.535

assign ( resid 41 and name H
	 )
       ( resid 40 and name H
	 ) 2.4 0.7 0.7 volume=67346.750 peak=1746 ppm1=7.529 ppm2=7.820

assign ( resid 101 and name H
	 )
       ( resid 100 and name H
	 ) 2.6 0.8 0.8 volume=37341.625 peak=1752 ppm1=8.566 ppm2=8.295

assign ( resid 42 and name H
	 )
       ( resid 41 and name H
	 ) 3.0 1.1 1.1 volume=51602.500 peak=1754 ppm1=7.867 ppm2=7.532

assign ( resid 91 and name H
	 )
       ( resid 90 and name H
	 ) 2.9 1.0 1.0 volume=54381.750 peak=1760 ppm1=8.666 ppm2=8.305

assign ( resid 104 and name H
	 )
       ( resid 105 and name H
	 ) 2.7 0.9 0.9 volume=39210.500 peak=1763 ppm1=8.534 ppm2=7.963

assign ( resid 101 and name H
	 )
       ( resid 102 and name H
	 ) 2.7 0.9 0.9 volume=47742.500 peak=1764 ppm1=8.568 ppm2=8.001

assign ( resid 20 and name H
	 )
       ( resid 21 and name H
	 ) 2.8 1.0 1.0 volume=36063.000 peak=1766 ppm1=7.926 ppm2=9.052

assign ( resid 22 and name H
	 )
       ( resid 21 and name H
	 ) 2.9 1.0 1.0 volume=39367.125 peak=1767 ppm1=8.003 ppm2=9.023

assign ( resid 92 and name H
	 )
       ( resid 91 and name H
	 ) 3.0 1.1 1.1 volume=29020.375 peak=1768 ppm1=7.740 ppm2=8.696

assign ( resid 40 and name H
	 )
       ( resid 39 and name H
	 ) 2.5 0.8 0.8 volume=39047.000 peak=1776 ppm1=7.793 ppm2=8.800

assign ( resid 64 and name H
	 )
       ( resid 64 and name HA
	 ) 3.0 1.1 1.1 volume=33549.250 peak=1777 ppm1=9.018 ppm2=3.853

assign ( resid 44 and name H
	 )
       ( resid 44 and name HA
	 ) 2.8 1.0 1.0 volume=60747.875 peak=1778 ppm1=9.000 ppm2=4.518

assign ( resid 82 and name HD#
	 )
       ( resid 83 and name HA
	 ) 4.0 2.1 2.0 volume=46518.000 peak=1779 ppm1=7.079 ppm2=4.326

assign ( resid 113 and name HG2#
	 )
       ( resid 113 and name HB
	 ) 1.8 0.4 0.4 volume=153359.500 peak=1787 ppm1=1.190 ppm2=4.198

assign ( resid 113 and name HG2#
	 )
       ( resid 113 and name HA
	 ) 2.7 0.9 0.9 volume=67270.625 peak=1788 ppm1=1.192 ppm2=4.336

assign ( resid 102 and name H
	 )
       ( resid 103 and name H
	 ) 2.8 1.0 1.0 volume=49034.750 peak=1795 ppm1=8.004 ppm2=7.543

assign ( resid 44 and name H
	 )
       ( resid 44 and name HB2
	 ) 3.8 1.8 1.8 volume=38340.000 peak=1796 ppm1=9.001 ppm2=2.810

assign ( resid 44 and name H
	 )
       ( resid 44 and name HB3
	 ) 2.6 0.9 0.9 volume=41521.750 peak=1797 ppm1=8.998 ppm2=3.014

assign ( resid 83 and name H
	 )
       ( resid 82 and name HD#
	 ) 4.5 2.7 2.5 volume=23105.125 peak=1798 ppm1=8.842 ppm2=7.084

assign ( resid 83 and name H
	 )
       ( resid 82 and name HB2
	 ) 2.9 1.1 1.1 volume=17513.625 peak=1800 ppm1=8.832 ppm2=3.252

assign ( resid 97 and name HB
	 )
       ( resid 97 and name HA
	 ) 3.1 1.2 1.2 volume=28513.000 peak=1806 ppm1=4.540 ppm2=3.685

assign ( resid 96 and name HB3
	 )
       ( resid 96 and name HA
	 ) 2.3 0.7 0.7 volume=162855.125 peak=1811 ppm1=1.392 ppm2=4.277

assign ( resid 77 and name HB#
	 )
       ( resid 77 and name HA
	 ) 1.9 0.5 0.5 volume=222569.750 peak=1812 ppm1=1.341 ppm2=4.711

assign ( resid 44 and name HB3
	 )
       ( resid 44 and name HA
	 ) 3.2 1.3 1.3 volume=55654.875 peak=1814 ppm1=3.007 ppm2=4.518

assign ( resid 12 and name HB2
	 )
       ( resid 12 and name HA
	 ) 3.8 1.8 1.8 volume=21402.125 peak=1815 ppm1=2.746 ppm2=5.031

assign ( resid 12 and name HB3
	 )
       ( resid 12 and name HA
	 ) 3.4 1.5 1.5 volume=26052.125 peak=1816 ppm1=2.859 ppm2=5.026

assign ( resid 73 and name HB#
	 )
       ( resid 73 and name HA
	 ) 2.0 0.5 0.5 volume=199864.750 peak=1823 ppm1=1.361 ppm2=4.147

assign ( resid 118 and name HD2
	 )
       ( resid 117 and name HA
	 ) 3.4 1.4 1.4 volume=33985.375 peak=1824 ppm1=3.660 ppm2=4.612

assign ( resid 22 and name HE21
	 )
       ( resid 22 and name HE22
	 ) 1.5 0.3 0.3 volume=386328.500 peak=1828 ppm1=8.062 ppm2=6.913

assign ( resid 64 and name H
	 )
       ( resid 61 and name HA
	 ) 3.5 1.5 1.5 volume=22213.750 peak=1831 ppm1=9.020 ppm2=4.348

assign ( resid 28 and name H
	 )
       ( resid 28 and name HA
	 ) 2.9 1.1 1.1 volume=24916.375 peak=1832 ppm1=8.826 ppm2=3.490

assign ( resid 83 and name H
	 )
       ( resid 82 and name HB3
	 ) 4.4 2.4 2.4 volume=32129.375 peak=1834 ppm1=8.828 ppm2=2.968

assign ( resid 14 and name HG
	 )
       ( resid 14 and name HD1#
	 ) 2.0 0.5 0.5 volume=79386.375 peak=1840 ppm1=1.443 ppm2=0.637

assign ( resid 67 and name HA
	 )
       ( resid 67 and name HD2#
	 ) 3.5 1.6 1.6 volume=64872.750 peak=1841 ppm1=3.855 ppm2=0.719

assign ( resid 67 and name HD2#
	 )
       ( resid 90 and name HA
	 ) 2.9 1.0 1.0 volume=55997.375 peak=1842 ppm1=0.726 ppm2=4.001

assign ( resid 54 and name H
	 )
       ( resid 54 and name HG2#
	 ) 3.5 1.5 1.5 volume=53443.625 peak=1843 ppm1=7.613 ppm2=0.836

assign ( resid 41 and name H
	 )
       ( resid 41 and name HB2
	 or resid 41 and name HB3
	 ) 2.6 0.8 0.8 volume=125050.500 peak=1846 ppm1=7.531 ppm2=1.770

assign ( resid 10 and name H
	 )
       ( resid 10 and name HG3
	 or resid 10 and name HG2
	 ) 4.6 2.7 2.7 volume=32667.875 peak=1847 ppm1=8.417 ppm2=2.365

assign ( resid 40 and name H
	 )
       ( resid 40 and name HB#
	 ) 1.9 0.5 0.5 volume=155449.875 peak=1851 ppm1=7.794 ppm2=1.477

assign ( resid 118 and name HD3
	 )
       ( resid 117 and name HA
	 ) 3.0 1.2 1.2 volume=46261.750 peak=1852 ppm1=3.799 ppm2=4.613

assign ( resid 37 and name H
	 )
       ( resid 37 and name HD1#
	 ) 4.1 2.1 2.1 volume=28908.875 peak=1853 ppm1=7.440 ppm2=0.924

assign ( resid 37 and name H
	 )
       ( resid 37 and name HD2#
	 ) 3.8 1.8 1.8 volume=34752.250 peak=1854 ppm1=7.439 ppm2=1.011

assign ( resid 112 and name H
	 )
       ( resid 111 and name HA
	 ) 2.6 0.8 0.8 volume=138358.875 peak=1856 ppm1=8.091 ppm2=4.707

# Restraints file 6: Hbond.tbl
assi 
   (( segid "   A" and resid 24   and name  HN  ))
   (( segid "   A" and resid 20   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 22   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 23   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 24   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 25   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 27   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 32   and name  HN  ))
   (( segid "   A" and resid 28   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 33   and name  HN  ))
   (( segid "   A" and resid 29   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 34   and name  HN  ))
   (( segid "   A" and resid 30   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 35   and name  HN  ))
   (( segid "   A" and resid 31   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 50   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 52   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 57   and name  HN  ))
   (( segid "   A" and resid 53   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 54   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 59   and name  HN  ))
   (( segid "   A" and resid 55   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 61   and name  HN  ))
   (( segid "   A" and resid 57   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 62   and name  HN  ))
   (( segid "   A" and resid 58   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 63   and name  HN  ))
   (( segid "   A" and resid 59   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 96   and name  HN  ))
   (( segid "   A" and resid 92   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 97   and name  HN  ))
   (( segid "   A" and resid 93   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 100   and name  HN  ))
   (( segid "   A" and resid 96   and name  O   ))
      2.200     0.470     0.500

assi 
   (( segid "   A" and resid 101   and name  HN  ))
   (( segid "   A" and resid 97   and name  O   ))
      2.200     0.470     0.500

# Restraints file 7: rdc1_48.tbl
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  32  and name HN   )
       ( resid  32  and name N  ) -8.76	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  33  and name HN   )
       ( resid  33  and name N  ) -6.75	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  21  and name HN   )
       ( resid  21  and name N  ) -9.43	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  63  and name HN   )
       ( resid  63  and name N  ) -8.88	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  102  and name HN   )
       ( resid  102  and name N  ) -3.47	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  26  and name HN   )
       ( resid  26  and name N ) -6.75	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  18  and name HN   )
       ( resid  18  and name N ) -9.36	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  44  and name HN   )
       ( resid  44  and name N  ) -1.95	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  55  and name HN   )
       ( resid  55  and name N  ) -5.96	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  27  and name HN   )
       ( resid  27  and name N  ) -6.2	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  95  and name HN   )
       ( resid  95  and name N  ) -2.98	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  108  and name HN   )
       ( resid  108  and name N  ) -3.77	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  20  and name HN   )
       ( resid  20  and name N  ) -6.99	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  92  and name HN   )
       ( resid  92  and name N  ) -13.38	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  103  and name HN   )
       ( resid  103  and name N  ) -9.18	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  31  and name HN   )
       ( resid  31  and name N  ) -7.91	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  35  and name HN   )
       ( resid  35  and name N  ) -5.84	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  107  and name HN   )
       ( resid  107  and name N  ) -9.0	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  87  and name HN   )
       ( resid  87  and name N  ) -7.6	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  29  and name HN   )
       ( resid  29  and name N  ) -8.03	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  65  and name HN   )
       ( resid  65  and name N  ) -5.53	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  50  and name HN   )
       ( resid  50  and name N  ) -10.95	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  64  and name HN   )
       ( resid  64  and name N  ) -8.03	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  97  and name HN   )
       ( resid  97  and name N  ) -7.66	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  58  and name HN   )
       ( resid  58  and name N  ) -4.32	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  52  and name HN   )
       ( resid  52  and name N  ) -5.59	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  56  and name HN   )
       ( resid  56  and name N  ) -6.08	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  101  and name HN   )
       ( resid  101  and name N  ) -7.11	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  45  and name HN   )
       ( resid  45  and name N  ) -5.59	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  66  and name HN   )
       ( resid  66  and name N  ) -5.53	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  62  and name HN   )
       ( resid  62  and name N  ) -4.86	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  54  and name HN   )
       ( resid  54  and name N  ) -6.87	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  68  and name HN   )
       ( resid  68  and name N  ) -6.63	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  17  and name HN   )
       ( resid  17  and name N  ) -4.86	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  30  and name HN   )
       ( resid  30  and name N  ) -6.08	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  100  and name HN   )
       ( resid  100  and name N  ) -9.36	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  28  and name HN   )
       ( resid  28  and name N  ) -7.97	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  59  and name HN   )
       ( resid  59  and name N  ) -7.36	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  104  and name HN   )
       ( resid  104  and name N  ) -9.36	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  53  and name HN   )
       ( resid  53  and name N  ) -7.66	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  22  and name HN   )
       ( resid  22  and name N  ) -10.82	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  23  and name HN   )
       ( resid  23  and name N  ) -5.53	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  96  and name HN   )
       ( resid  96  and name N  ) -7.48	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  36  and name HN   )
       ( resid  36  and name N  ) -3.71	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  51  and name HN   )
       ( resid  51  and name N  ) -3.71	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  47  and name HN   )
       ( resid  47  and name N  ) -5.53	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  98  and name HN   )
       ( resid  98  and name N  ) -7.18	0.5
assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  34  and name HN   )
       ( resid  34  and name N  ) -4.93	0.5
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1 -28.428  18.987   7.961
    2    H2   GLY   1           HT2      GLY   1 -29.984  19.560   8.288
    3    H3   GLY   1           HT3      GLY   1 -28.942  19.169   9.561
    4    HA2  GLY   1           HA1      GLY   1 -29.073  21.559   9.294
    5    HA3  GLY   1           HA2      GLY   1 -27.454  20.963   8.950
    6    HA   PRO   2           HA       PRO   2 -28.775  23.416   5.283
    7    HB2  PRO   2           HB2      PRO   2 -26.828  25.239   5.265
    8    HB3  PRO   2           HB1      PRO   2 -28.174  25.359   6.406
    9    HG2  PRO   2           HG2      PRO   2 -25.379  24.408   6.861
   10    HG3  PRO   2           HG1      PRO   2 -26.416  25.386   7.913
   11    HD2  PRO   2           HD2      PRO   2 -26.009  22.641   8.147
   12    HD3  PRO   2           HD1      PRO   2 -27.355  23.545   8.864
   13    H    MET   3           HN       MET   3 -26.957  20.968   5.572
   14    HA   MET   3           HA       MET   3 -25.470  21.419   3.070
   15    HB2  MET   3           HB2      MET   3 -24.568  19.801   5.463
   16    HB3  MET   3           HB1      MET   3 -23.774  19.775   3.896
   17    HG2  MET   3           HG2      MET   3 -23.251  22.138   4.103
   18    HG3  MET   3           HG1      MET   3 -24.092  22.199   5.650
   19    HE1  MET   3           HE1      MET   3 -20.213  19.800   4.919
   20    HE2  MET   3           HE2      MET   3 -21.068  20.706   3.671
   21    HE3  MET   3           HE3      MET   3 -21.789  19.250   4.352
   22    H    ALA   4           HN       ALA   4 -28.137  20.423   3.488
   23    HA   ALA   4           HA       ALA   4 -28.039  17.547   3.246
   24    HB1  ALA   4           HB1      ALA   4 -29.872  18.637   4.449
   25    HB2  ALA   4           HB2      ALA   4 -30.465  17.680   3.092
   26    HB3  ALA   4           HB3      ALA   4 -30.372  19.435   2.958
   27    H    MET   5           HN       MET   5 -26.498  18.385   1.283
   28    HA   MET   5           HA       MET   5 -27.919  17.506  -1.072
   29    HB2  MET   5           HB2      MET   5 -27.218  19.424  -2.471
   30    HB3  MET   5           HB1      MET   5 -28.368  19.884  -1.226
   31    HG2  MET   5           HG2      MET   5 -26.545  20.783   0.128
   32    HG3  MET   5           HG1      MET   5 -25.390  20.318  -1.120
   33    HE1  MET   5           HE1      MET   5 -25.591  23.272   0.059
   34    HE2  MET   5           HE2      MET   5 -25.460  24.225  -1.418
   35    HE3  MET   5           HE3      MET   5 -24.446  22.799  -1.197
   36    H    LEU   6           HN       LEU   6 -26.023  16.221   0.349
   37    HA   LEU   6           HA       LEU   6 -23.376  16.714  -0.647
   38    HB2  LEU   6           HB2      LEU   6 -24.459  14.274   0.774
   39    HB3  LEU   6           HB1      LEU   6 -22.766  14.670   0.547
   40    HG   LEU   6           HG       LEU   6 -24.734  16.227   2.228
   41   HD11  LEU   6          HD11      LEU   6 -22.406  14.478   3.009
   42   HD12  LEU   6          HD12      LEU   6 -24.113  14.092   3.222
   43   HD13  LEU   6          HD13      LEU   6 -23.395  15.435   4.111
   44   HD21  LEU   6          HD21      LEU   6 -23.058  17.684   1.208
   45   HD22  LEU   6          HD22      LEU   6 -21.775  16.642   1.821
   46   HD23  LEU   6          HD23      LEU   6 -22.803  17.530   2.946
   47    H    ALA   7           HN       ALA   7 -22.812  16.273  -2.665
   48    HA   ALA   7           HA       ALA   7 -24.254  14.333  -4.241
   49    HB1  ALA   7           HB1      ALA   7 -23.550  16.455  -5.225
   50    HB2  ALA   7           HB2      ALA   7 -22.846  15.083  -6.079
   51    HB3  ALA   7           HB3      ALA   7 -21.863  16.021  -4.956
   52    H    ARG   8           HN       ARG   8 -21.508  14.343  -2.256
   53    HA   ARG   8           HA       ARG   8 -19.894  12.417  -3.537
   54    HB2  ARG   8           HB2      ARG   8 -19.029  13.867  -1.787
   55    HB3  ARG   8           HB1      ARG   8 -20.137  13.167  -0.619
   56    HG2  ARG   8           HG2      ARG   8 -17.940  12.278  -0.264
   57    HG3  ARG   8           HG1      ARG   8 -18.984  10.999  -0.878
   58    HD2  ARG   8           HD2      ARG   8 -18.045  11.239  -3.086
   59    HD3  ARG   8           HD1      ARG   8 -17.080  12.619  -2.562
   60    HE   ARG   8           HE       ARG   8 -16.257  10.685  -0.889
   61   HH11  ARG   8          HH11      ARG   8 -16.621  10.770  -4.368
   62   HH12  ARG   8          HH12      ARG   8 -15.342   9.635  -4.656
   63   HH21  ARG   8          HH21      ARG   8 -14.573   9.192  -1.259
   64   HH22  ARG   8          HH22      ARG   8 -14.174   8.738  -2.892
   65    H    ARG   9           HN       ARG   9 -21.832  11.950  -0.577
   66    HA   ARG   9           HA       ARG   9 -22.904  10.152   0.287
   67    HB2  ARG   9           HB2      ARG   9 -23.372   9.635  -2.649
   68    HB3  ARG   9           HB1      ARG   9 -24.130   8.701  -1.368
   69    HG2  ARG   9           HG2      ARG   9 -25.206  10.709  -0.517
   70    HG3  ARG   9           HG1      ARG   9 -24.423  11.668  -1.774
   71    HD2  ARG   9           HD2      ARG   9 -26.707  11.170  -2.403
   72    HD3  ARG   9           HD1      ARG   9 -25.584  10.348  -3.484
   73    HE   ARG   9           HE       ARG   9 -26.149   8.506  -1.540
   74   HH11  ARG   9          HH11      ARG   9 -28.041  10.399  -3.789
   75   HH12  ARG   9          HH12      ARG   9 -29.307   9.221  -3.924
   76   HH21  ARG   9          HH21      ARG   9 -27.798   6.929  -1.731
   77   HH22  ARG   9          HH22      ARG   9 -29.156   7.234  -2.768
   78    H    GLN  10           HN       GLN  10 -20.426   9.751   0.637
   79    HA   GLN  10           HA       GLN  10 -19.424   7.364  -0.654
   80    HB2  GLN  10           HB2      GLN  10 -17.911   9.218  -0.084
   81    HB3  GLN  10           HB1      GLN  10 -18.303   9.022   1.616
   82    HG2  GLN  10           HG2      GLN  10 -17.304   6.776   1.567
   83    HG3  GLN  10           HG1      GLN  10 -16.868   7.026  -0.125
   84   HE21  GLN  10          HE21      GLN  10 -16.265   7.978   3.164
   85   HE22  GLN  10          HE22      GLN  10 -14.752   8.757   2.869
   86    H    ARG  11           HN       ARG  11 -21.168   5.983   0.017
   87    HA   ARG  11           HA       ARG  11 -21.539   5.387   2.807
   88    HB2  ARG  11           HB2      ARG  11 -23.449   5.192   1.360
   89    HB3  ARG  11           HB1      ARG  11 -22.585   4.111   0.277
   90    HG2  ARG  11           HG2      ARG  11 -22.420   2.558   2.333
   91    HG3  ARG  11           HG1      ARG  11 -23.724   3.556   2.982
   92    HD2  ARG  11           HD2      ARG  11 -24.596   1.581   1.831
   93    HD3  ARG  11           HD1      ARG  11 -25.086   3.070   1.024
   94    HE   ARG  11           HE       ARG  11 -22.739   1.597   0.040
   95   HH11  ARG  11          HH11      ARG  11 -26.032   2.690  -0.425
   96   HH12  ARG  11          HH12      ARG  11 -26.029   2.380  -2.133
   97   HH21  ARG  11          HH21      ARG  11 -22.705   1.242  -2.207
   98   HH22  ARG  11          HH22      ARG  11 -24.136   1.557  -3.147
   99    H    ASP  12           HN       ASP  12 -20.389   3.543   0.006
  100    HA   ASP  12           HA       ASP  12 -19.777   1.226   1.485
  101    HB2  ASP  12           HB2      ASP  12 -18.799   2.081  -1.248
  102    HB3  ASP  12           HB1      ASP  12 -18.613   0.467  -0.570
  103    HA   PRO  13           HA       PRO  13 -15.947   2.353   3.444
  104    HB2  PRO  13           HB2      PRO  13 -15.559  -0.593   3.386
  105    HB3  PRO  13           HB1      PRO  13 -15.502   0.520   4.757
  106    HG2  PRO  13           HG2      PRO  13 -17.579  -1.121   4.392
  107    HG3  PRO  13           HG1      PRO  13 -17.800   0.521   5.021
  108    HD2  PRO  13           HD2      PRO  13 -18.346  -0.556   2.293
  109    HD3  PRO  13           HD1      PRO  13 -19.233   0.666   3.228
  110    H    LEU  14           HN       LEU  14 -16.242   0.151   0.734
  111    HA   LEU  14           HA       LEU  14 -13.552  -0.115   0.019
  112    HB2  LEU  14           HB2      LEU  14 -15.904   0.084  -1.874
  113    HB3  LEU  14           HB1      LEU  14 -14.328  -0.605  -2.241
  114    HG   LEU  14           HG       LEU  14 -16.356  -1.727  -0.296
  115   HD11  LEU  14          HD11      LEU  14 -16.969  -2.022  -2.635
  116   HD12  LEU  14          HD12      LEU  14 -16.515  -3.558  -1.896
  117   HD13  LEU  14          HD13      LEU  14 -15.387  -2.729  -2.967
  118   HD21  LEU  14          HD21      LEU  14 -14.812  -3.666  -0.187
  119   HD22  LEU  14          HD22      LEU  14 -14.148  -2.200   0.531
  120   HD23  LEU  14          HD23      LEU  14 -13.614  -2.717  -1.068
  121    H    GLN  15           HN       GLN  15 -15.871   2.456  -0.768
  122    HA   GLN  15           HA       GLN  15 -14.137   3.815  -2.555
  123    HB2  GLN  15           HB2      GLN  15 -16.548   4.159  -2.644
  124    HB3  GLN  15           HB1      GLN  15 -16.542   4.811  -1.013
  125    HG2  GLN  15           HG2      GLN  15 -16.719   6.553  -2.727
  126    HG3  GLN  15           HG1      GLN  15 -15.274   6.728  -1.733
  127   HE21  GLN  15          HE21      GLN  15 -15.605   4.372  -4.301
  128   HE22  GLN  15          HE22      GLN  15 -14.448   5.088  -5.366
  129    H    ALA  16           HN       ALA  16 -14.905   4.281   0.884
  130    HA   ALA  16           HA       ALA  16 -13.247   6.509   1.318
  131    HB1  ALA  16           HB1      ALA  16 -13.386   5.931   3.682
  132    HB2  ALA  16           HB2      ALA  16 -14.014   4.336   3.267
  133    HB3  ALA  16           HB3      ALA  16 -14.963   5.779   2.909
  134    H    LEU  17           HN       LEU  17 -12.652   3.045   1.650
  135    HA   LEU  17           HA       LEU  17  -9.993   3.273   2.555
  136    HB2  LEU  17           HB2      LEU  17 -11.387   1.238   2.778
  137    HB3  LEU  17           HB1      LEU  17 -11.250   0.984   1.047
  138    HG   LEU  17           HG       LEU  17  -8.793   0.761   1.305
  139   HD11  LEU  17          HD11      LEU  17  -8.456   2.055   3.314
  140   HD12  LEU  17          HD12      LEU  17  -7.895   0.404   3.580
  141   HD13  LEU  17          HD13      LEU  17  -9.441   0.926   4.245
  142   HD21  LEU  17          HD21      LEU  17 -10.205  -1.210   1.241
  143   HD22  LEU  17          HD22      LEU  17 -10.455  -1.108   2.983
  144   HD23  LEU  17          HD23      LEU  17  -8.849  -1.452   2.341
  145    H    ARG  18           HN       ARG  18 -11.361   2.876  -0.706
  146    HA   ARG  18           HA       ARG  18  -8.937   2.591  -2.079
  147    HB2  ARG  18           HB2      ARG  18 -11.665   3.500  -2.883
  148    HB3  ARG  18           HB1      ARG  18 -10.330   3.775  -3.993
  149    HG2  ARG  18           HG2      ARG  18  -9.798   1.339  -3.825
  150    HG3  ARG  18           HG1      ARG  18 -11.293   1.141  -2.912
  151    HD2  ARG  18           HD2      ARG  18 -12.624   1.723  -4.759
  152    HD3  ARG  18           HD1      ARG  18 -11.256   2.416  -5.633
  153    HE   ARG  18           HE       ARG  18 -10.668  -0.267  -5.189
  154   HH11  ARG  18          HH11      ARG  18 -13.080   1.585  -6.948
  155   HH12  ARG  18          HH12      ARG  18 -13.241   0.403  -8.206
  156   HH21  ARG  18          HH21      ARG  18 -10.901  -1.813  -6.823
  157   HH22  ARG  18          HH22      ARG  18 -11.999  -1.534  -8.137
  158    H    ARG  19           HN       ARG  19 -10.660   5.491  -1.062
  159    HA   ARG  19           HA       ARG  19  -9.050   7.397  -2.326
  160    HB2  ARG  19           HB2      ARG  19 -11.189   7.848  -1.104
  161    HB3  ARG  19           HB1      ARG  19 -10.325   7.615   0.409
  162    HG2  ARG  19           HG2      ARG  19  -8.817   9.491  -0.258
  163    HG3  ARG  19           HG1      ARG  19  -9.892   9.779  -1.629
  164    HD2  ARG  19           HD2      ARG  19 -10.472  11.261   0.192
  165    HD3  ARG  19           HD1      ARG  19 -11.766  10.091  -0.070
  166    HE   ARG  19           HE       ARG  19  -9.852   9.323   1.951
  167   HH11  ARG  19          HH11      ARG  19 -12.828  11.036   1.293
  168   HH12  ARG  19          HH12      ARG  19 -13.410  10.916   2.920
  169   HH21  ARG  19          HH21      ARG  19 -10.616   9.148   4.102
  170   HH22  ARG  19          HH22      ARG  19 -12.151   9.837   4.523
  171    H    ARG  20           HN       ARG  20  -8.749   5.863   0.851
  172    HA   ARG  20           HA       ARG  20  -6.297   7.095   1.536
  173    HB2  ARG  20           HB2      ARG  20  -7.797   6.109   3.208
  174    HB3  ARG  20           HB1      ARG  20  -7.484   4.510   2.551
  175    HG2  ARG  20           HG2      ARG  20  -5.154   4.668   3.200
  176    HG3  ARG  20           HG1      ARG  20  -5.409   6.315   3.775
  177    HD2  ARG  20           HD2      ARG  20  -6.963   5.491   5.469
  178    HD3  ARG  20           HD1      ARG  20  -6.739   3.842   4.885
  179    HE   ARG  20           HE       ARG  20  -4.300   5.181   5.683
  180   HH11  ARG  20          HH11      ARG  20  -6.999   3.227   6.768
  181   HH12  ARG  20          HH12      ARG  20  -6.115   2.501   8.069
  182   HH21  ARG  20          HH21      ARG  20  -3.137   4.241   7.401
  183   HH22  ARG  20          HH22      ARG  20  -3.908   3.076   8.441
  184    H    ASN  21           HN       ASN  21  -7.069   4.021  -0.060
  185    HA   ASN  21           HA       ASN  21  -4.448   2.998  -0.126
  186    HB2  ASN  21           HB2      ASN  21  -6.733   2.516  -2.051
  187    HB3  ASN  21           HB1      ASN  21  -5.224   1.612  -2.057
  188   HD21  ASN  21          HD21      ASN  21  -7.794   0.508  -1.722
  189   HD22  ASN  21          HD22      ASN  21  -7.861  -0.186  -0.135
  190    H    GLN  22           HN       GLN  22  -6.168   5.136  -2.354
  191    HA   GLN  22           HA       GLN  22  -4.169   5.243  -4.335
  192    HB2  GLN  22           HB2      GLN  22  -6.577   6.089  -4.474
  193    HB3  GLN  22           HB1      GLN  22  -6.021   7.514  -3.609
  194    HG2  GLN  22           HG2      GLN  22  -6.056   8.045  -5.921
  195    HG3  GLN  22           HG1      GLN  22  -4.367   7.892  -5.437
  196   HE21  GLN  22          HE21      GLN  22  -3.701   7.478  -7.571
  197   HE22  GLN  22          HE22      GLN  22  -4.015   5.965  -8.345
  198    H    GLU  23           HN       GLU  23  -4.584   6.846  -1.280
  199    HA   GLU  23           HA       GLU  23  -2.603   8.867  -1.695
  200    HB2  GLU  23           HB2      GLU  23  -4.502   9.037  -0.056
  201    HB3  GLU  23           HB1      GLU  23  -3.690   7.825   0.925
  202    HG2  GLU  23           HG2      GLU  23  -1.788   9.303   1.210
  203    HG3  GLU  23           HG1      GLU  23  -2.559  10.512   0.187
  204    H    LEU  24           HN       LEU  24  -2.713   5.662  -0.209
  205    HA   LEU  24           HA       LEU  24  -0.073   5.596   0.762
  206    HB2  LEU  24           HB2      LEU  24  -1.806   3.336  -0.245
  207    HB3  LEU  24           HB1      LEU  24  -0.271   3.111   0.565
  208    HG   LEU  24           HG       LEU  24  -2.753   4.324   1.795
  209   HD11  LEU  24          HD11      LEU  24  -2.839   1.880   1.398
  210   HD12  LEU  24          HD12      LEU  24  -2.842   2.305   3.107
  211   HD13  LEU  24          HD13      LEU  24  -1.369   1.705   2.354
  212   HD21  LEU  24          HD21      LEU  24  -0.749   5.329   2.729
  213   HD22  LEU  24          HD22      LEU  24  -0.044   3.735   2.988
  214   HD23  LEU  24          HD23      LEU  24  -1.476   4.226   3.894
  215    H    LYS  25           HN       LYS  25  -1.460   4.700  -2.377
  216    HA   LYS  25           HA       LYS  25   0.868   3.684  -3.532
  217    HB2  LYS  25           HB2      LYS  25  -1.330   3.411  -4.572
  218    HB3  LYS  25           HB1      LYS  25  -1.401   5.139  -4.898
  219    HG2  LYS  25           HG2      LYS  25   0.609   4.915  -6.316
  220    HG3  LYS  25           HG1      LYS  25   0.564   3.173  -6.050
  221    HD2  LYS  25           HD2      LYS  25  -1.571   3.010  -7.137
  222    HD3  LYS  25           HD1      LYS  25  -1.681   4.767  -7.273
  223    HE2  LYS  25           HE2      LYS  25   0.390   3.015  -8.592
  224    HE3  LYS  25           HE1      LYS  25  -1.003   3.740  -9.390
  225    HZ1  LYS  25           HZ1      LYS  25  -0.107   5.933  -8.859
  226    HZ2  LYS  25           HZ2      LYS  25   0.987   5.035  -9.783
  227    HZ3  LYS  25           HZ3      LYS  25   1.247   5.227  -8.120
  228    H    GLN  26           HN       GLN  26  -0.357   7.011  -3.403
  229    HA   GLN  26           HA       GLN  26   1.612   8.170  -5.029
  230    HB2  GLN  26           HB2      GLN  26   0.053   9.369  -2.736
  231    HB3  GLN  26           HB1      GLN  26   1.023  10.296  -3.875
  232    HG2  GLN  26           HG2      GLN  26  -0.397   9.537  -5.707
  233    HG3  GLN  26           HG1      GLN  26  -1.368   8.605  -4.568
  234   HE21  GLN  26          HE21      GLN  26  -3.228   9.727  -5.067
  235   HE22  GLN  26          HE22      GLN  26  -3.497  11.357  -4.557
  236    H    GLN  27           HN       GLN  27   1.584   7.333  -1.629
  237    HA   GLN  27           HA       GLN  27   4.033   8.663  -0.999
  238    HB2  GLN  27           HB2      GLN  27   2.408   6.562   0.425
  239    HB3  GLN  27           HB1      GLN  27   3.925   7.176   1.068
  240    HG2  GLN  27           HG2      GLN  27   3.023   9.405   1.196
  241    HG3  GLN  27           HG1      GLN  27   1.533   8.884   0.415
  242   HE21  GLN  27          HE21      GLN  27   0.024   7.717   1.606
  243   HE22  GLN  27          HE22      GLN  27   0.102   7.583   3.325
  244    H    VAL  28           HN       VAL  28   3.126   5.456  -2.111
  245    HA   VAL  28           HA       VAL  28   5.654   4.223  -1.700
  246    HB   VAL  28           HB       VAL  28   3.407   3.523  -3.602
  247   HG11  VAL  28          HG11      VAL  28   5.491   2.628  -4.455
  248   HG12  VAL  28          HG12      VAL  28   4.494   1.327  -3.803
  249   HG13  VAL  28          HG13      VAL  28   5.863   1.937  -2.876
  250   HG21  VAL  28          HG21      VAL  28   2.806   3.336  -1.238
  251   HG22  VAL  28          HG22      VAL  28   4.219   2.319  -0.956
  252   HG23  VAL  28          HG23      VAL  28   2.912   1.744  -1.994
  253    H    ASP  29           HN       ASP  29   4.082   5.721  -4.516
  254    HA   ASP  29           HA       ASP  29   6.178   5.468  -6.346
  255    HB2  ASP  29           HB2      ASP  29   4.033   7.582  -6.086
  256    HB3  ASP  29           HB1      ASP  29   5.185   7.556  -7.416
  257    H    SER  30           HN       SER  30   5.590   7.815  -3.816
  258    HA   SER  30           HA       SER  30   7.685   9.597  -4.515
  259    HB2  SER  30           HB2      SER  30   5.713  10.159  -3.047
  260    HB3  SER  30           HB1      SER  30   6.461   9.197  -1.775
  261    HG   SER  30           HG       SER  30   7.016  11.349  -1.500
  262    H    LEU  31           HN       LEU  31   7.467   6.776  -2.406
  263    HA   LEU  31           HA       LEU  31  10.041   7.012  -1.260
  264    HB2  LEU  31           HB2      LEU  31   8.299   5.563  -0.321
  265    HB3  LEU  31           HB1      LEU  31   8.366   4.547  -1.748
  266    HG   LEU  31           HG       LEU  31  10.714   3.966  -1.190
  267   HD11  LEU  31          HD11      LEU  31  11.376   5.886   0.076
  268   HD12  LEU  31          HD12      LEU  31  11.488   4.466   1.117
  269   HD13  LEU  31          HD13      LEU  31  10.131   5.579   1.284
  270   HD21  LEU  31          HD21      LEU  31   8.832   2.541  -0.513
  271   HD22  LEU  31          HD22      LEU  31   8.743   3.412   1.019
  272   HD23  LEU  31          HD23      LEU  31  10.176   2.463   0.624
  273    H    LEU  32           HN       LEU  32   8.813   5.201  -4.047
  274    HA   LEU  32           HA       LEU  32  11.224   4.128  -4.921
  275    HB2  LEU  32           HB2      LEU  32   8.819   5.005  -6.517
  276    HB3  LEU  32           HB1      LEU  32  10.114   3.995  -7.135
  277    HG   LEU  32           HG       LEU  32   8.286   3.253  -4.848
  278   HD11  LEU  32          HD11      LEU  32   7.080   3.337  -6.959
  279   HD12  LEU  32          HD12      LEU  32   7.289   1.672  -6.418
  280   HD13  LEU  32          HD13      LEU  32   8.304   2.314  -7.710
  281   HD21  LEU  32          HD21      LEU  32   9.255   1.011  -5.143
  282   HD22  LEU  32          HD22      LEU  32  10.451   2.204  -4.641
  283   HD23  LEU  32          HD23      LEU  32  10.388   1.674  -6.322
  284    H    SER  33           HN       SER  33   9.828   7.312  -5.355
  285    HA   SER  33           HA       SER  33  11.601   8.270  -7.305
  286    HB2  SER  33           HB2      SER  33   9.532   9.462  -6.645
  287    HB3  SER  33           HB1      SER  33  10.264   9.842  -5.087
  288    HG   SER  33           HG       SER  33  11.780  10.540  -7.286
  289    H    GLU  34           HN       GLU  34  11.947   7.869  -3.822
  290    HA   GLU  34           HA       GLU  34  14.385   9.374  -3.643
  291    HB2  GLU  34           HB2      GLU  34  12.957   7.461  -1.816
  292    HB3  GLU  34           HB1      GLU  34  14.593   7.987  -1.454
  293    HG2  GLU  34           HG2      GLU  34  12.377   9.939  -1.950
  294    HG3  GLU  34           HG1      GLU  34  12.673   9.239  -0.360
  295    H    SER  35           HN       SER  35  13.526   5.939  -3.828
  296    HA   SER  35           HA       SER  35  16.166   4.951  -3.782
  297    HB2  SER  35           HB2      SER  35  15.103   2.862  -4.733
  298    HB3  SER  35           HB1      SER  35  14.385   3.456  -3.239
  299    HG   SER  35           HG       SER  35  13.301   4.390  -5.628
  300    H    GLN  36           HN       GLN  36  14.741   6.820  -6.104
  301    HA   GLN  36           HA       GLN  36  16.010   5.442  -8.366
  302    HB2  GLN  36           HB2      GLN  36  13.545   6.086  -8.449
  303    HB3  GLN  36           HB1      GLN  36  14.077   7.760  -8.484
  304    HG2  GLN  36           HG2      GLN  36  13.599   7.041 -10.709
  305    HG3  GLN  36           HG1      GLN  36  15.339   7.279 -10.547
  306   HE21  GLN  36          HE21      GLN  36  16.705   5.496 -10.602
  307   HE22  GLN  36          HE22      GLN  36  16.170   3.944 -11.142
  308    H    LEU  37           HN       LEU  37  16.502   7.851  -6.140
  309    HA   LEU  37           HA       LEU  37  17.764   9.791  -7.870
  310    HB2  LEU  37           HB2      LEU  37  17.674   9.595  -4.856
  311    HB3  LEU  37           HB1      LEU  37  18.271  10.967  -5.767
  312    HG   LEU  37           HG       LEU  37  15.422   9.982  -5.818
  313   HD11  LEU  37          HD11      LEU  37  14.906  11.951  -4.491
  314   HD12  LEU  37          HD12      LEU  37  16.617  12.364  -4.415
  315   HD13  LEU  37          HD13      LEU  37  16.029  10.896  -3.636
  316   HD21  LEU  37          HD21      LEU  37  14.996  12.165  -6.900
  317   HD22  LEU  37          HD22      LEU  37  15.986  11.080  -7.873
  318   HD23  LEU  37          HD23      LEU  37  16.739  12.417  -7.002
  319    H    LYS  38           HN       LYS  38  19.926  10.153  -8.074
  320    HA   LYS  38           HA       LYS  38  21.724   8.012  -7.525
  321    HB2  LYS  38           HB2      LYS  38  22.181  10.820  -8.534
  322    HB3  LYS  38           HB1      LYS  38  23.467   9.635  -8.364
  323    HG2  LYS  38           HG2      LYS  38  22.296   8.156  -9.934
  324    HG3  LYS  38           HG1      LYS  38  21.042   9.380 -10.131
  325    HD2  LYS  38           HD2      LYS  38  23.964   9.818 -10.731
  326    HD3  LYS  38           HD1      LYS  38  22.755   9.377 -11.936
  327    HE2  LYS  38           HE2      LYS  38  22.712  11.860 -10.224
  328    HE3  LYS  38           HE1      LYS  38  23.196  11.787 -11.916
  329    HZ1  LYS  38           HZ1      LYS  38  20.498  11.178 -10.839
  330    HZ2  LYS  38           HZ2      LYS  38  20.952  11.012 -12.456
  331    HZ3  LYS  38           HZ3      LYS  38  20.936  12.543 -11.739
  332    H    GLU  39           HN       GLU  39  20.891  10.993  -5.928
  333    HA   GLU  39           HA       GLU  39  23.080  11.063  -4.123
  334    HB2  GLU  39           HB2      GLU  39  21.593  12.999  -4.566
  335    HB3  GLU  39           HB1      GLU  39  20.284  12.160  -3.747
  336    HG2  GLU  39           HG2      GLU  39  21.555  12.186  -1.671
  337    HG3  GLU  39           HG1      GLU  39  22.884  13.002  -2.491
  338    H    ALA  40           HN       ALA  40  20.323   9.069  -4.370
  339    HA   ALA  40           HA       ALA  40  20.138   8.373  -1.601
  340    HB1  ALA  40           HB1      ALA  40  19.008   6.951  -3.997
  341    HB2  ALA  40           HB2      ALA  40  18.201   8.229  -3.088
  342    HB3  ALA  40           HB3      ALA  40  18.555   6.685  -2.312
  343    H    LEU  41           HN       LEU  41  22.425   7.761  -3.847
  344    HA   LEU  41           HA       LEU  41  23.085   5.055  -3.254
  345    HB2  LEU  41           HB2      LEU  41  23.872   6.264  -5.268
  346    HB3  LEU  41           HB1      LEU  41  24.854   7.294  -4.248
  347    HG   LEU  41           HG       LEU  41  26.123   5.267  -3.528
  348   HD11  LEU  41          HD11      LEU  41  25.927   3.248  -4.903
  349   HD12  LEU  41          HD12      LEU  41  24.527   3.950  -5.713
  350   HD13  LEU  41          HD13      LEU  41  24.457   3.580  -3.991
  351   HD21  LEU  41          HD21      LEU  41  27.412   5.083  -5.589
  352   HD22  LEU  41          HD22      LEU  41  26.966   6.760  -5.268
  353   HD23  LEU  41          HD23      LEU  41  26.093   5.832  -6.489
  354    H    GLU  42           HN       GLU  42  23.332   7.958  -1.534
  355    HA   GLU  42           HA       GLU  42  25.557   7.596   0.096
  356    HB2  GLU  42           HB2      GLU  42  24.272   9.665   0.125
  357    HB3  GLU  42           HB1      GLU  42  22.860   8.815   0.740
  358    HG2  GLU  42           HG2      GLU  42  24.075   8.319   2.810
  359    HG3  GLU  42           HG1      GLU  42  25.468   9.206   2.190
  360    HA   PRO  43           HA       PRO  43  24.698   3.734   2.128
  361    HB2  PRO  43           HB2      PRO  43  26.354   4.967   4.272
  362    HB3  PRO  43           HB1      PRO  43  26.527   3.399   3.477
  363    HG2  PRO  43           HG2      PRO  43  28.144   5.449   2.895
  364    HG3  PRO  43           HG1      PRO  43  27.625   4.291   1.658
  365    HD2  PRO  43           HD2      PRO  43  26.755   7.099   2.118
  366    HD3  PRO  43           HD1      PRO  43  26.866   6.180   0.604
  367    H    ASN  44           HN       ASN  44  24.508   6.777   3.965
  368    HA   ASN  44           HA       ASN  44  22.980   5.678   6.093
  369    HB2  ASN  44           HB2      ASN  44  23.468   8.508   5.171
  370    HB3  ASN  44           HB1      ASN  44  22.390   8.144   6.514
  371   HD21  ASN  44          HD21      ASN  44  23.706   9.279   7.949
  372   HD22  ASN  44          HD22      ASN  44  25.216   8.645   8.503
  373    H    LYS  45           HN       LYS  45  22.103   7.292   3.069
  374    HA   LYS  45           HA       LYS  45  19.402   7.707   3.654
  375    HB2  LYS  45           HB2      LYS  45  20.468   8.834   1.791
  376    HB3  LYS  45           HB1      LYS  45  20.786   7.299   0.996
  377    HG2  LYS  45           HG2      LYS  45  18.925   8.392  -0.077
  378    HG3  LYS  45           HG1      LYS  45  18.353   6.949   0.757
  379    HD2  LYS  45           HD2      LYS  45  16.758   8.582   1.263
  380    HD3  LYS  45           HD1      LYS  45  17.783   8.522   2.697
  381    HE2  LYS  45           HE2      LYS  45  17.401  10.816   2.202
  382    HE3  LYS  45           HE1      LYS  45  19.063  10.458   1.738
  383    HZ1  LYS  45           HZ1      LYS  45  17.912  11.787   0.068
  384    HZ2  LYS  45           HZ2      LYS  45  16.746  10.573  -0.126
  385    HZ3  LYS  45           HZ3      LYS  45  18.357  10.283  -0.557
  386    H    ARG  46           HN       ARG  46  21.116   4.869   2.561
  387    HA   ARG  46           HA       ARG  46  18.983   3.387   1.527
  388    HB2  ARG  46           HB2      ARG  46  21.273   2.199   3.096
  389    HB3  ARG  46           HB1      ARG  46  20.338   1.438   1.817
  390    HG2  ARG  46           HG2      ARG  46  22.318   3.685   1.532
  391    HG3  ARG  46           HG1      ARG  46  22.490   2.025   0.962
  392    HD2  ARG  46           HD2      ARG  46  20.401   3.976   0.002
  393    HD3  ARG  46           HD1      ARG  46  21.913   3.630  -0.831
  394    HE   ARG  46           HE       ARG  46  20.569   1.208  -0.420
  395   HH11  ARG  46          HH11      ARG  46  20.232   4.171  -2.259
  396   HH12  ARG  46          HH12      ARG  46  19.363   3.415  -3.559
  397   HH21  ARG  46          HH21      ARG  46  19.435   0.211  -2.090
  398   HH22  ARG  46          HH22      ARG  46  18.887   1.147  -3.456
  399    H    GLN  47           HN       GLN  47  20.152   3.699   4.862
  400    HA   GLN  47           HA       GLN  47  18.295   1.847   5.964
  401    HB2  GLN  47           HB2      GLN  47  19.953   4.039   7.207
  402    HB3  GLN  47           HB1      GLN  47  18.866   3.032   8.151
  403    HG2  GLN  47           HG2      GLN  47  21.080   2.175   8.359
  404    HG3  GLN  47           HG1      GLN  47  20.137   1.042   7.395
  405   HE21  GLN  47          HE21      GLN  47  22.659   3.424   7.363
  406   HE22  GLN  47          HE22      GLN  47  23.318   3.001   5.819
  407    H    HIS  48           HN       HIS  48  18.266   5.270   5.311
  408    HA   HIS  48           HA       HIS  48  15.951   5.886   6.844
  409    HB2  HIS  48           HB2      HIS  48  17.711   7.532   6.002
  410    HB3  HIS  48           HB1      HIS  48  16.942   7.409   4.423
  411    HD1  HIS  48           HD1      HIS  48  16.175   8.519   7.955
  412    HD2  HIS  48           HD2      HIS  48  14.745   9.016   4.083
  413    HE1  HIS  48           HE1      HIS  48  14.419  10.315   8.104
  414    HE2  HIS  48           HE2      HIS  48  13.701  10.718   5.729
  415    H    ILE  49           HN       ILE  49  16.495   4.996   3.462
  416    HA   ILE  49           HA       ILE  49  13.781   5.225   2.650
  417    HB   ILE  49           HB       ILE  49  16.010   3.508   1.525
  418   HG12  ILE  49          HG12      ILE  49  14.913   6.180   0.612
  419   HG13  ILE  49          HG11      ILE  49  16.436   5.945   1.461
  420   HG21  ILE  49          HG21      ILE  49  13.800   2.647   0.909
  421   HG22  ILE  49          HG22      ILE  49  14.656   3.307  -0.484
  422   HG23  ILE  49          HG23      ILE  49  13.362   4.233   0.275
  423   HD11  ILE  49          HD11      ILE  49  15.744   4.902  -1.277
  424   HD12  ILE  49          HD12      ILE  49  17.259   4.608  -0.426
  425   HD13  ILE  49          HD13      ILE  49  16.821   6.248  -0.904
  426    H    TYR  50           HN       TYR  50  15.768   2.536   3.814
  427    HA   TYR  50           HA       TYR  50  13.959   0.470   3.784
  428    HB2  TYR  50           HB2      TYR  50  16.369   0.329   4.396
  429    HB3  TYR  50           HB1      TYR  50  15.996   1.066   5.945
  430    HD1  TYR  50           HD1      TYR  50  16.011  -0.393   7.711
  431    HD2  TYR  50           HD2      TYR  50  14.670  -1.814   3.928
  432    HE1  TYR  50           HE1      TYR  50  15.668  -2.621   8.678
  433    HE2  TYR  50           HE2      TYR  50  14.319  -4.050   4.892
  434    HH   TYR  50           HH       TYR  50  15.135  -5.389   6.772
  435    H    GLN  51           HN       GLN  51  14.312   3.013   6.236
  436    HA   GLN  51           HA       GLN  51  12.413   1.937   8.053
  437    HB2  GLN  51           HB2      GLN  51  14.129   3.645   8.670
  438    HB3  GLN  51           HB1      GLN  51  13.259   4.830   7.704
  439    HG2  GLN  51           HG2      GLN  51  11.303   4.558   9.173
  440    HG3  GLN  51           HG1      GLN  51  12.228   3.433  10.167
  441   HE21  GLN  51          HE21      GLN  51  11.034   5.942  10.948
  442   HE22  GLN  51          HE22      GLN  51  12.323   6.944  11.518
  443    H    ARG  52           HN       ARG  52  12.168   4.422   5.523
  444    HA   ARG  52           HA       ARG  52   9.455   5.050   5.886
  445    HB2  ARG  52           HB2      ARG  52  11.268   5.205   3.489
  446    HB3  ARG  52           HB1      ARG  52   9.583   5.691   3.403
  447    HG2  ARG  52           HG2      ARG  52   9.982   7.374   5.129
  448    HG3  ARG  52           HG1      ARG  52  11.678   6.886   5.204
  449    HD2  ARG  52           HD2      ARG  52  12.030   7.551   2.923
  450    HD3  ARG  52           HD1      ARG  52  10.311   7.861   2.699
  451    HE   ARG  52           HE       ARG  52  11.377   9.460   4.794
  452   HH11  ARG  52          HH11      ARG  52  11.239   9.186   1.311
  453   HH12  ARG  52          HH12      ARG  52  11.462  10.882   1.035
  454   HH21  ARG  52          HH21      ARG  52  11.666  11.703   4.436
  455   HH22  ARG  52          HH22      ARG  52  11.698  12.315   2.811
  456    H    CYS  53           HN       CYS  53  11.045   2.469   4.200
  457    HA   CYS  53           HA       CYS  53   8.813   1.646   2.630
  458    HB2  CYS  53           HB2      CYS  53  11.166   1.051   2.069
  459    HB3  CYS  53           HB1      CYS  53  11.211   0.001   3.490
  460    HG   CYS  53           HG       CYS  53  10.794  -1.190   0.766
  461    H    ILE  54           HN       ILE  54  10.192   0.542   5.700
  462    HA   ILE  54           HA       ILE  54   8.353  -1.503   6.209
  463    HB   ILE  54           HB       ILE  54   9.920   0.215   8.128
  464   HG12  ILE  54          HG12      ILE  54  10.367  -2.593   7.081
  465   HG13  ILE  54          HG11      ILE  54  11.283  -1.161   6.613
  466   HG21  ILE  54          HG21      ILE  54   8.003  -0.699   9.289
  467   HG22  ILE  54          HG22      ILE  54   9.473  -1.523   9.809
  468   HG23  ILE  54          HG23      ILE  54   8.372  -2.311   8.680
  469   HD11  ILE  54          HD11      ILE  54  12.132  -0.956   8.885
  470   HD12  ILE  54          HD12      ILE  54  12.507  -2.538   8.201
  471   HD13  ILE  54          HD13      ILE  54  11.196  -2.370   9.368
  472    H    GLN  55           HN       GLN  55   8.245   1.946   6.982
  473    HA   GLN  55           HA       GLN  55   5.927   1.899   8.565
  474    HB2  GLN  55           HB2      GLN  55   7.350   3.841   8.543
  475    HB3  GLN  55           HB1      GLN  55   7.090   4.074   6.821
  476    HG2  GLN  55           HG2      GLN  55   4.763   4.623   7.221
  477    HG3  GLN  55           HG1      GLN  55   4.972   4.321   8.945
  478   HE21  GLN  55          HE21      GLN  55   6.073   5.801  10.196
  479   HE22  GLN  55          HE22      GLN  55   6.435   7.399   9.645
  480    H    LEU  56           HN       LEU  56   6.238   2.691   5.084
  481    HA   LEU  56           HA       LEU  56   3.523   2.816   4.543
  482    HB2  LEU  56           HB2      LEU  56   5.696   1.894   2.658
  483    HB3  LEU  56           HB1      LEU  56   4.117   2.489   2.193
  484    HG   LEU  56           HG       LEU  56   6.302   4.090   3.530
  485   HD11  LEU  56          HD11      LEU  56   6.406   5.285   1.417
  486   HD12  LEU  56          HD12      LEU  56   5.164   4.229   0.743
  487   HD13  LEU  56          HD13      LEU  56   6.739   3.569   1.187
  488   HD21  LEU  56          HD21      LEU  56   3.547   4.929   2.627
  489   HD22  LEU  56          HD22      LEU  56   4.827   6.025   3.143
  490   HD23  LEU  56          HD23      LEU  56   4.141   4.874   4.288
  491    H    LYS  57           HN       LYS  57   5.670   0.004   4.507
  492    HA   LYS  57           HA       LYS  57   3.827  -1.815   3.410
  493    HB2  LYS  57           HB2      LYS  57   6.217  -2.310   3.574
  494    HB3  LYS  57           HB1      LYS  57   6.114  -2.311   5.328
  495    HG2  LYS  57           HG2      LYS  57   4.695  -4.275   5.278
  496    HG3  LYS  57           HG1      LYS  57   4.691  -4.251   3.514
  497    HD2  LYS  57           HD2      LYS  57   7.053  -4.711   3.445
  498    HD3  LYS  57           HD1      LYS  57   7.175  -4.552   5.197
  499    HE2  LYS  57           HE2      LYS  57   7.169  -6.893   4.530
  500    HE3  LYS  57           HE1      LYS  57   5.740  -6.505   5.483
  501    HZ1  LYS  57           HZ1      LYS  57   5.807  -6.687   2.520
  502    HZ2  LYS  57           HZ2      LYS  57   4.442  -6.411   3.476
  503    HZ3  LYS  57           HZ3      LYS  57   5.238  -7.898   3.553
  504    H    GLN  58           HN       GLN  58   4.494  -0.842   6.731
  505    HA   GLN  58           HA       GLN  58   2.659  -2.545   8.008
  506    HB2  GLN  58           HB2      GLN  58   4.393  -1.356   9.237
  507    HB3  GLN  58           HB1      GLN  58   3.677   0.190   8.806
  508    HG2  GLN  58           HG2      GLN  58   3.177  -0.410  11.099
  509    HG3  GLN  58           HG1      GLN  58   1.708  -0.339  10.127
  510   HE21  GLN  58          HE21      GLN  58   0.572  -1.638  11.516
  511   HE22  GLN  58          HE22      GLN  58   0.863  -3.337  11.659
  512    H    ALA  59           HN       ALA  59   2.298   0.612   6.496
  513    HA   ALA  59           HA       ALA  59  -0.341   1.116   7.410
  514    HB1  ALA  59           HB1      ALA  59   1.134   2.900   6.630
  515    HB2  ALA  59           HB2      ALA  59  -0.380   2.879   5.726
  516    HB3  ALA  59           HB3      ALA  59   1.091   2.230   5.001
  517    H    ILE  60           HN       ILE  60   0.971  -0.291   4.421
  518    HA   ILE  60           HA       ILE  60  -1.518  -0.577   3.117
  519    HB   ILE  60           HB       ILE  60   0.990  -2.224   2.733
  520   HG12  ILE  60          HG12      ILE  60   0.004   0.213   1.231
  521   HG13  ILE  60          HG11      ILE  60   1.316   0.216   2.405
  522   HG21  ILE  60          HG21      ILE  60  -1.408  -1.847   0.940
  523   HG22  ILE  60          HG22      ILE  60  -0.987  -3.317   1.817
  524   HG23  ILE  60          HG23      ILE  60   0.057  -2.735   0.522
  525   HD11  ILE  60          HD11      ILE  60   2.188   0.209   0.152
  526   HD12  ILE  60          HD12      ILE  60   1.274  -1.254  -0.219
  527   HD13  ILE  60          HD13      ILE  60   2.582  -1.310   0.961
  528    H    ASP  61           HN       ASP  61   0.351  -2.744   5.206
  529    HA   ASP  61           HA       ASP  61  -1.357  -4.988   4.981
  530    HB2  ASP  61           HB2      ASP  61   0.964  -5.054   5.944
  531    HB3  ASP  61           HB1      ASP  61   0.347  -4.231   7.375
  532    H    GLU  62           HN       GLU  62  -1.333  -2.194   7.089
  533    HA   GLU  62           HA       GLU  62  -3.403  -2.937   8.826
  534    HB2  GLU  62           HB2      GLU  62  -1.917  -1.050   9.262
  535    HB3  GLU  62           HB1      GLU  62  -2.569  -0.191   7.874
  536    HG2  GLU  62           HG2      GLU  62  -4.713   0.007   8.947
  537    HG3  GLU  62           HG1      GLU  62  -4.159  -0.975  10.302
  538    H    ASN  63           HN       ASN  63  -3.478  -1.140   5.761
  539    HA   ASN  63           HA       ASN  63  -6.278  -0.817   5.650
  540    HB2  ASN  63           HB2      ASN  63  -4.159  -0.846   3.502
  541    HB3  ASN  63           HB1      ASN  63  -5.862  -0.593   3.137
  542   HD21  ASN  63          HD21      ASN  63  -5.528   1.491   2.384
  543   HD22  ASN  63          HD22      ASN  63  -5.126   2.797   3.444
  544    H    LYS  64           HN       LYS  64  -4.126  -3.357   4.506
  545    HA   LYS  64           HA       LYS  64  -6.032  -4.912   3.152
  546    HB2  LYS  64           HB2      LYS  64  -3.572  -5.222   3.008
  547    HB3  LYS  64           HB1      LYS  64  -3.575  -5.849   4.649
  548    HG2  LYS  64           HG2      LYS  64  -4.943  -7.733   3.947
  549    HG3  LYS  64           HG1      LYS  64  -4.997  -7.089   2.303
  550    HD2  LYS  64           HD2      LYS  64  -2.588  -7.332   2.098
  551    HD3  LYS  64           HD1      LYS  64  -2.480  -7.894   3.766
  552    HE2  LYS  64           HE2      LYS  64  -3.855  -9.836   3.197
  553    HE3  LYS  64           HE1      LYS  64  -3.962  -9.277   1.531
  554    HZ1  LYS  64           HZ1      LYS  64  -2.284 -10.968   1.743
  555    HZ2  LYS  64           HZ2      LYS  64  -1.487 -10.096   2.950
  556    HZ3  LYS  64           HZ3      LYS  64  -1.546  -9.494   1.371
  557    H    ASN  65           HN       ASN  65  -5.058  -4.810   6.549
  558    HA   ASN  65           HA       ASN  65  -6.705  -6.948   7.427
  559    HB2  ASN  65           HB2      ASN  65  -5.499  -4.591   8.875
  560    HB3  ASN  65           HB1      ASN  65  -6.478  -5.796   9.695
  561   HD21  ASN  65          HD21      ASN  65  -5.482  -8.011   8.098
  562   HD22  ASN  65          HD22      ASN  65  -3.861  -8.299   8.622
  563    H    ALA  66           HN       ALA  66  -7.183  -3.451   7.237
  564    HA   ALA  66           HA       ALA  66  -9.745  -3.365   8.380
  565    HB1  ALA  66           HB1      ALA  66  -8.378  -1.368   8.026
  566    HB2  ALA  66           HB2      ALA  66  -9.968  -1.192   7.283
  567    HB3  ALA  66           HB3      ALA  66  -8.560  -1.548   6.281
  568    H    LEU  67           HN       LEU  67  -8.694  -3.692   5.017
  569    HA   LEU  67           HA       LEU  67 -11.222  -3.736   3.827
  570    HB2  LEU  67           HB2      LEU  67  -9.132  -3.436   2.590
  571    HB3  LEU  67           HB1      LEU  67  -8.667  -5.085   2.952
  572    HG   LEU  67           HG       LEU  67 -10.510  -5.926   1.588
  573   HD11  LEU  67          HD11      LEU  67 -11.104  -3.014   1.110
  574   HD12  LEU  67          HD12      LEU  67 -12.154  -4.205   1.878
  575   HD13  LEU  67          HD13      LEU  67 -11.776  -4.338   0.162
  576   HD21  LEU  67          HD21      LEU  67  -8.358  -5.546   0.530
  577   HD22  LEU  67          HD22      LEU  67  -8.806  -3.876   0.183
  578   HD23  LEU  67          HD23      LEU  67  -9.671  -5.199  -0.597
  579    H    GLN  68           HN       GLN  68  -9.241  -6.370   5.132
  580    HA   GLN  68           HA       GLN  68 -11.003  -8.450   4.399
  581    HB2  GLN  68           HB2      GLN  68  -8.614  -8.744   5.065
  582    HB3  GLN  68           HB1      GLN  68  -9.079  -8.416   6.729
  583    HG2  GLN  68           HG2      GLN  68 -10.592 -10.365   6.650
  584    HG3  GLN  68           HG1      GLN  68 -10.010 -10.713   5.024
  585   HE21  GLN  68          HE21      GLN  68  -7.915 -11.476   4.742
  586   HE22  GLN  68          HE22      GLN  68  -7.006 -12.146   6.051
  587    H    LYS  69           HN       LYS  69 -10.893  -6.300   7.176
  588    HA   LYS  69           HA       LYS  69 -12.834  -7.799   8.680
  589    HB2  LYS  69           HB2      LYS  69 -11.138  -6.362   9.786
  590    HB3  LYS  69           HB1      LYS  69 -11.886  -4.947   9.060
  591    HG2  LYS  69           HG2      LYS  69 -12.545  -5.204  11.385
  592    HG3  LYS  69           HG1      LYS  69 -13.932  -5.368  10.309
  593    HD2  LYS  69           HD2      LYS  69 -13.759  -7.816  10.488
  594    HD3  LYS  69           HD1      LYS  69 -12.393  -7.630  11.589
  595    HE2  LYS  69           HE2      LYS  69 -13.823  -6.467  13.185
  596    HE3  LYS  69           HE1      LYS  69 -15.190  -6.602  12.077
  597    HZ1  LYS  69           HZ1      LYS  69 -15.054  -9.008  12.262
  598    HZ2  LYS  69           HZ2      LYS  69 -15.274  -8.299  13.782
  599    HZ3  LYS  69           HZ3      LYS  69 -13.749  -8.874  13.332
  600    H    LEU  70           HN       LEU  70 -12.881  -5.170   6.385
  601    HA   LEU  70           HA       LEU  70 -15.710  -4.692   6.818
  602    HB2  LEU  70           HB2      LEU  70 -13.597  -3.412   5.151
  603    HB3  LEU  70           HB1      LEU  70 -15.263  -3.236   4.644
  604    HG   LEU  70           HG       LEU  70 -14.610  -1.304   5.928
  605   HD11  LEU  70          HD11      LEU  70 -16.338  -1.279   7.603
  606   HD12  LEU  70          HD12      LEU  70 -16.404  -3.040   7.612
  607   HD13  LEU  70          HD13      LEU  70 -16.911  -2.147   6.178
  608   HD21  LEU  70          HD21      LEU  70 -13.944  -3.216   8.161
  609   HD22  LEU  70          HD22      LEU  70 -13.949  -1.457   8.276
  610   HD23  LEU  70          HD23      LEU  70 -12.791  -2.267   7.222
  611    H    SER  71           HN       SER  71 -15.480  -7.233   6.262
  612    HA   SER  71           HA       SER  71 -16.553  -7.442   3.528
  613    HB2  SER  71           HB2      SER  71 -15.072  -9.573   5.103
  614    HB3  SER  71           HB1      SER  71 -15.777  -9.794   3.504
  615    HG   SER  71           HG       SER  71 -13.408  -9.212   3.778
  616    H    LYS  72           HN       LYS  72 -18.434  -6.684   4.896
  617    HA   LYS  72           HA       LYS  72 -19.549  -8.497   6.801
  618    HB2  LYS  72           HB2      LYS  72 -21.532  -6.881   6.655
  619    HB3  LYS  72           HB1      LYS  72 -20.003  -6.227   7.230
  620    HG2  LYS  72           HG2      LYS  72 -19.569  -5.245   5.035
  621    HG3  LYS  72           HG1      LYS  72 -21.067  -5.944   4.409
  622    HD2  LYS  72           HD2      LYS  72 -22.351  -4.629   6.044
  623    HD3  LYS  72           HD1      LYS  72 -20.851  -3.919   6.644
  624    HE2  LYS  72           HE2      LYS  72 -20.437  -2.907   4.477
  625    HE3  LYS  72           HE1      LYS  72 -21.880  -3.677   3.820
  626    HZ1  LYS  72           HZ1      LYS  72 -23.222  -2.414   5.388
  627    HZ2  LYS  72           HZ2      LYS  72 -22.312  -1.382   4.399
  628    HZ3  LYS  72           HZ3      LYS  72 -21.829  -1.657   5.995
  629    H    ALA  73           HN       ALA  73 -19.608 -10.389   5.398
  630    HA   ALA  73           HA       ALA  73 -21.425 -10.515   3.198
  631    HB1  ALA  73           HB1      ALA  73 -20.169 -12.741   4.792
  632    HB2  ALA  73           HB2      ALA  73 -19.484 -11.987   3.354
  633    HB3  ALA  73           HB3      ALA  73 -20.982 -12.911   3.236
  634    H    ASP  74           HN       ASP  74 -21.719 -10.832   6.612
  635    HA   ASP  74           HA       ASP  74 -24.125 -12.360   6.653
  636    HB2  ASP  74           HB2      ASP  74 -22.954 -10.473   8.713
  637    HB3  ASP  74           HB1      ASP  74 -24.361 -11.486   8.991
  638    H    GLU  75           HN       GLU  75 -23.357  -9.078   6.039
  639    HA   GLU  75           HA       GLU  75 -26.154  -8.247   6.257
  640    HB2  GLU  75           HB2      GLU  75 -24.375  -6.779   7.198
  641    HB3  GLU  75           HB1      GLU  75 -23.692  -6.613   5.589
  642    HG2  GLU  75           HG2      GLU  75 -25.674  -5.487   4.814
  643    HG3  GLU  75           HG1      GLU  75 -26.469  -5.755   6.364
  644    H    SER  76           HN       SER  76 -27.276  -7.430   4.450
  645    HA   SER  76           HA       SER  76 -26.541  -8.654   1.954
  646    HB2  SER  76           HB2      SER  76 -28.706  -7.394   1.233
  647    HB3  SER  76           HB1      SER  76 -28.835  -8.750   2.354
  648    HG   SER  76           HG       SER  76 -28.943  -5.977   2.910
  649    H    ALA  77           HN       ALA  77 -24.488  -7.278   2.020
  650    HA   ALA  77           HA       ALA  77 -24.990  -4.735   0.642
  651    HB1  ALA  77           HB1      ALA  77 -22.971  -3.823   1.588
  652    HB2  ALA  77           HB2      ALA  77 -22.623  -5.349   2.396
  653    HB3  ALA  77           HB3      ALA  77 -24.030  -4.402   2.874
  654    HA   PRO  78           HA       PRO  78 -21.078  -6.776  -1.490
  655    HB2  PRO  78           HB2      PRO  78 -21.551  -9.630  -0.838
  656    HB3  PRO  78           HB1      PRO  78 -20.032  -8.729  -0.898
  657    HG2  PRO  78           HG2      PRO  78 -21.081  -9.454   1.432
  658    HG3  PRO  78           HG1      PRO  78 -20.308  -7.867   1.240
  659    HD2  PRO  78           HD2      PRO  78 -23.229  -8.563   1.257
  660    HD3  PRO  78           HD1      PRO  78 -22.390  -7.213   2.049
  661    H    VAL  79           HN       VAL  79 -22.428  -6.188  -3.220
  662    HA   VAL  79           HA       VAL  79 -23.947  -8.402  -4.419
  663    HB   VAL  79           HB       VAL  79 -24.347  -5.447  -4.892
  664   HG11  VAL  79          HG11      VAL  79 -26.362  -6.125  -6.089
  665   HG12  VAL  79          HG12      VAL  79 -25.969  -7.820  -5.804
  666   HG13  VAL  79          HG13      VAL  79 -24.922  -6.832  -6.822
  667   HG21  VAL  79          HG21      VAL  79 -25.029  -6.094  -2.643
  668   HG22  VAL  79          HG22      VAL  79 -26.032  -7.381  -3.314
  669   HG23  VAL  79          HG23      VAL  79 -26.423  -5.694  -3.644
  670    H    ALA  80           HN       ALA  80 -22.547  -9.342  -5.756
  671    HA   ALA  80           HA       ALA  80 -21.235  -9.725  -7.551
  672    HB1  ALA  80           HB1      ALA  80 -23.309  -9.259  -8.647
  673    HB2  ALA  80           HB2      ALA  80 -21.981  -8.635  -9.625
  674    HB3  ALA  80           HB3      ALA  80 -22.964  -7.533  -8.662
  675    H    ASN  81           HN       ASN  81 -21.441  -6.339  -8.490
  676    HA   ASN  81           HA       ASN  81 -18.694  -6.183  -9.061
  677    HB2  ASN  81           HB2      ASN  81 -20.705  -3.955  -8.649
  678    HB3  ASN  81           HB1      ASN  81 -19.084  -3.721  -9.294
  679   HD21  ASN  81          HD21      ASN  81 -21.621  -3.160 -10.549
  680   HD22  ASN  81          HD22      ASN  81 -21.668  -4.102 -11.999
  681    H    TYR  82           HN       TYR  82 -20.470  -5.601  -6.156
  682    HA   TYR  82           HA       TYR  82 -18.606  -4.014  -4.766
  683    HB2  TYR  82           HB2      TYR  82 -20.991  -4.574  -4.064
  684    HB3  TYR  82           HB1      TYR  82 -20.391  -6.142  -3.541
  685    HD1  TYR  82           HD1      TYR  82 -18.744  -6.238  -1.608
  686    HD2  TYR  82           HD2      TYR  82 -20.745  -2.644  -2.725
  687    HE1  TYR  82           HE1      TYR  82 -18.234  -5.271   0.592
  688    HE2  TYR  82           HE2      TYR  82 -20.228  -1.672  -0.530
  689    HH   TYR  82           HH       TYR  82 -19.687  -2.362   1.699
  690    H    ASN  83           HN       ASN  83 -18.967  -7.546  -5.000
  691    HA   ASN  83           HA       ASN  83 -16.702  -8.093  -3.347
  692    HB2  ASN  83           HB2      ASN  83 -18.378  -9.810  -5.170
  693    HB3  ASN  83           HB1      ASN  83 -16.969 -10.443  -4.324
  694   HD21  ASN  83          HD21      ASN  83 -19.807 -11.144  -4.052
  695   HD22  ASN  83          HD22      ASN  83 -20.184 -10.898  -2.383
  696    H    GLN  84           HN       GLN  84 -17.242  -7.622  -6.747
  697    HA   GLN  84           HA       GLN  84 -14.796  -8.649  -7.704
  698    HB2  GLN  84           HB2      GLN  84 -16.695  -8.182  -9.183
  699    HB3  GLN  84           HB1      GLN  84 -16.558  -6.464  -8.835
  700    HG2  GLN  84           HG2      GLN  84 -15.600  -7.000 -10.997
  701    HG3  GLN  84           HG1      GLN  84 -14.369  -6.408  -9.884
  702   HE21  GLN  84          HE21      GLN  84 -12.680  -7.360 -10.935
  703   HE22  GLN  84          HE22      GLN  84 -12.422  -9.076 -10.948
  704    H    ARG  85           HN       ARG  85 -15.790  -5.330  -6.868
  705    HA   ARG  85           HA       ARG  85 -13.278  -4.143  -7.359
  706    HB2  ARG  85           HB2      ARG  85 -15.532  -3.267  -5.542
  707    HB3  ARG  85           HB1      ARG  85 -14.121  -2.283  -5.905
  708    HG2  ARG  85           HG2      ARG  85 -14.725  -2.313  -8.279
  709    HG3  ARG  85           HG1      ARG  85 -16.159  -3.265  -7.891
  710    HD2  ARG  85           HD2      ARG  85 -17.010  -1.454  -6.512
  711    HD3  ARG  85           HD1      ARG  85 -15.552  -0.509  -6.821
  712    HE   ARG  85           HE       ARG  85 -16.653  -1.133  -9.292
  713   HH11  ARG  85          HH11      ARG  85 -17.593   0.662  -6.436
  714   HH12  ARG  85          HH12      ARG  85 -18.545   1.812  -7.319
  715   HH21  ARG  85          HH21      ARG  85 -17.910   0.363 -10.450
  716   HH22  ARG  85          HH22      ARG  85 -18.737   1.634  -9.605
  717    H    LYS  86           HN       LYS  86 -14.684  -5.643  -4.523
  718    HA   LYS  86           HA       LYS  86 -12.731  -4.928  -2.651
  719    HB2  LYS  86           HB2      LYS  86 -14.760  -5.822  -1.829
  720    HB3  LYS  86           HB1      LYS  86 -14.645  -7.249  -2.852
  721    HG2  LYS  86           HG2      LYS  86 -12.726  -8.032  -1.504
  722    HG3  LYS  86           HG1      LYS  86 -12.918  -6.624  -0.450
  723    HD2  LYS  86           HD2      LYS  86 -15.160  -8.573  -0.949
  724    HD3  LYS  86           HD1      LYS  86 -13.966  -8.823   0.324
  725    HE2  LYS  86           HE2      LYS  86 -15.680  -6.349   0.066
  726    HE3  LYS  86           HE1      LYS  86 -16.071  -7.727   1.091
  727    HZ1  LYS  86           HZ1      LYS  86 -14.093  -7.366   2.363
  728    HZ2  LYS  86           HZ2      LYS  86 -14.957  -5.911   2.295
  729    HZ3  LYS  86           HZ3      LYS  86 -13.583  -6.127   1.328
  730    H    GLU  87           HN       GLU  87 -12.909  -7.662  -4.904
  731    HA   GLU  87           HA       GLU  87 -10.539  -8.917  -3.925
  732    HB2  GLU  87           HB2      GLU  87 -12.323 -10.158  -5.108
  733    HB3  GLU  87           HB1      GLU  87 -11.921  -9.292  -6.585
  734    HG2  GLU  87           HG2      GLU  87 -10.950 -11.504  -6.599
  735    HG3  GLU  87           HG1      GLU  87  -9.686 -10.278  -6.556
  736    H    GLU  88           HN       GLU  88 -11.256  -6.775  -6.654
  737    HA   GLU  88           HA       GLU  88  -8.678  -6.831  -7.788
  738    HB2  GLU  88           HB2      GLU  88 -10.875  -4.774  -7.915
  739    HB3  GLU  88           HB1      GLU  88  -9.364  -4.596  -8.792
  740    HG2  GLU  88           HG2      GLU  88  -9.827  -6.748  -9.926
  741    HG3  GLU  88           HG1      GLU  88 -11.394  -6.793  -9.120
  742    H    GLU  89           HN       GLU  89 -10.041  -4.997  -5.146
  743    HA   GLU  89           HA       GLU  89  -7.955  -3.092  -4.926
  744    HB2  GLU  89           HB2      GLU  89 -10.303  -3.139  -3.791
  745    HB3  GLU  89           HB1      GLU  89  -9.497  -4.085  -2.546
  746    HG2  GLU  89           HG2      GLU  89  -9.566  -1.753  -1.924
  747    HG3  GLU  89           HG1      GLU  89  -7.899  -2.255  -2.214
  748    H    HIS  90           HN       HIS  90  -8.448  -6.326  -3.623
  749    HA   HIS  90           HA       HIS  90  -6.186  -6.506  -1.978
  750    HB2  HIS  90           HB2      HIS  90  -7.825  -8.508  -3.474
  751    HB3  HIS  90           HB1      HIS  90  -6.262  -9.022  -2.860
  752    HD1  HIS  90           HD1      HIS  90  -6.056  -9.457  -0.383
  753    HD2  HIS  90           HD2      HIS  90  -9.737  -7.864  -1.449
  754    HE1  HIS  90           HE1      HIS  90  -7.528  -9.758   1.632
  755    HE2  HIS  90           HE2      HIS  90  -9.793  -8.955   0.893
  756    H    THR  91           HN       THR  91  -6.573  -6.940  -5.453
  757    HA   THR  91           HA       THR  91  -4.042  -8.016  -6.006
  758    HB   THR  91           HB       THR  91  -5.705  -6.307  -7.864
  759    HG1  THR  91           HG1      THR  91  -6.188  -8.787  -6.769
  760   HG21  THR  91          HG21      THR  91  -3.461  -6.819  -8.690
  761   HG22  THR  91          HG22      THR  91  -4.685  -7.687  -9.617
  762   HG23  THR  91          HG23      THR  91  -3.736  -8.536  -8.396
  763    H    LEU  92           HN       LEU  92  -5.187  -4.654  -5.905
  764    HA   LEU  92           HA       LEU  92  -2.773  -3.556  -6.955
  765    HB2  LEU  92           HB2      LEU  92  -4.879  -2.348  -7.140
  766    HB3  LEU  92           HB1      LEU  92  -5.006  -2.252  -5.395
  767    HG   LEU  92           HG       LEU  92  -2.908  -0.884  -5.382
  768   HD11  LEU  92          HD11      LEU  92  -2.186   0.141  -7.478
  769   HD12  LEU  92          HD12      LEU  92  -3.333  -0.863  -8.365
  770   HD13  LEU  92          HD13      LEU  92  -1.985  -1.611  -7.509
  771   HD21  LEU  92          HD21      LEU  92  -3.992   1.164  -6.166
  772   HD22  LEU  92          HD22      LEU  92  -5.090   0.162  -5.216
  773   HD23  LEU  92          HD23      LEU  92  -5.225   0.196  -6.975
  774    H    LEU  93           HN       LEU  93  -4.153  -3.739  -3.684
  775    HA   LEU  93           HA       LEU  93  -2.017  -2.429  -2.401
  776    HB2  LEU  93           HB2      LEU  93  -3.987  -4.430  -1.284
  777    HB3  LEU  93           HB1      LEU  93  -2.915  -3.436  -0.320
  778    HG   LEU  93           HG       LEU  93  -5.119  -2.407  -2.106
  779   HD11  LEU  93          HD11      LEU  93  -5.985  -3.532  -0.133
  780   HD12  LEU  93          HD12      LEU  93  -6.208  -1.788   0.001
  781   HD13  LEU  93          HD13      LEU  93  -4.913  -2.583   0.898
  782   HD21  LEU  93          HD21      LEU  93  -4.630  -0.245  -1.017
  783   HD22  LEU  93          HD22      LEU  93  -3.292  -0.831  -2.004
  784   HD23  LEU  93          HD23      LEU  93  -3.222  -0.977  -0.249
  785    H    ASP  94           HN       ASP  94  -2.528  -5.769  -3.312
  786    HA   ASP  94           HA       ASP  94  -0.513  -6.857  -1.630
  787    HB2  ASP  94           HB2      ASP  94  -2.340  -8.220  -2.656
  788    HB3  ASP  94           HB1      ASP  94  -1.555  -8.023  -4.223
  789    H    LYS  95           HN       LYS  95  -0.499  -5.892  -5.094
  790    HA   LYS  95           HA       LYS  95   2.151  -6.568  -5.587
  791    HB2  LYS  95           HB2      LYS  95   0.506  -5.931  -7.334
  792    HB3  LYS  95           HB1      LYS  95   0.587  -4.266  -6.774
  793    HG2  LYS  95           HG2      LYS  95   2.946  -4.157  -7.387
  794    HG3  LYS  95           HG1      LYS  95   2.897  -5.841  -7.908
  795    HD2  LYS  95           HD2      LYS  95   2.736  -4.400  -9.834
  796    HD3  LYS  95           HD1      LYS  95   1.207  -5.243  -9.599
  797    HE2  LYS  95           HE2      LYS  95   0.231  -3.265  -8.599
  798    HE3  LYS  95           HE1      LYS  95   1.774  -2.419  -8.696
  799    HZ1  LYS  95           HZ1      LYS  95   1.664  -2.559 -11.098
  800    HZ2  LYS  95           HZ2      LYS  95   0.291  -1.782 -10.490
  801    HZ3  LYS  95           HZ3      LYS  95   0.191  -3.387 -11.013
  802    H    LEU  96           HN       LEU  96   0.759  -3.506  -4.456
  803    HA   LEU  96           HA       LEU  96   3.143  -2.093  -4.194
  804    HB2  LEU  96           HB2      LEU  96   0.695  -1.908  -2.433
  805    HB3  LEU  96           HB1      LEU  96   1.980  -0.720  -2.514
  806    HG   LEU  96           HG       LEU  96   0.126  -1.441  -4.786
  807   HD11  LEU  96          HD11      LEU  96  -1.023  -0.220  -3.030
  808   HD12  LEU  96          HD12      LEU  96  -0.784   0.806  -4.444
  809   HD13  LEU  96          HD13      LEU  96   0.248   1.003  -3.028
  810   HD21  LEU  96          HD21      LEU  96   2.277   0.663  -4.576
  811   HD22  LEU  96          HD22      LEU  96   1.130   0.498  -5.906
  812   HD23  LEU  96          HD23      LEU  96   2.313  -0.773  -5.601
  813    H    THR  97           HN       THR  97   1.556  -4.263  -1.862
  814    HA   THR  97           HA       THR  97   3.392  -4.077   0.212
  815    HB   THR  97           HB       THR  97   2.024  -6.631  -0.670
  816    HG1  THR  97           HG1      THR  97   0.606  -4.722  -0.325
  817   HG21  THR  97          HG21      THR  97   2.907  -5.716   2.065
  818   HG22  THR  97          HG22      THR  97   3.791  -6.856   1.051
  819   HG23  THR  97          HG23      THR  97   2.186  -7.272   1.654
  820    H    GLN  98           HN       GLN  98   3.442  -6.253  -2.610
  821    HA   GLN  98           HA       GLN  98   5.854  -7.552  -1.884
  822    HB2  GLN  98           HB2      GLN  98   4.558  -7.308  -4.601
  823    HB3  GLN  98           HB1      GLN  98   5.830  -8.442  -4.175
  824    HG2  GLN  98           HG2      GLN  98   3.081  -8.385  -2.950
  825    HG3  GLN  98           HG1      GLN  98   3.597  -9.466  -4.241
  826   HE21  GLN  98          HE21      GLN  98   3.201 -11.299  -3.044
  827   HE22  GLN  98          HE22      GLN  98   4.195 -11.777  -1.714
  828    H    GLN  99           HN       GLN  99   5.113  -4.755  -3.870
  829    HA   GLN  99           HA       GLN  99   7.607  -4.345  -5.059
  830    HB2  GLN  99           HB2      GLN  99   5.556  -3.120  -5.682
  831    HB3  GLN  99           HB1      GLN  99   5.597  -2.275  -4.143
  832    HG2  GLN  99           HG2      GLN  99   6.436  -0.859  -5.908
  833    HG3  GLN  99           HG1      GLN  99   7.725  -1.245  -4.769
  834   HE21  GLN  99          HE21      GLN  99   6.480  -1.754  -7.973
  835   HE22  GLN  99          HE22      GLN  99   7.925  -2.432  -8.640
  836    H    LEU 100           HN       LEU 100   6.308  -3.156  -1.990
  837    HA   LEU 100           HA       LEU 100   8.684  -1.793  -1.231
  838    HB2  LEU 100           HB2      LEU 100   6.351  -2.761   0.422
  839    HB3  LEU 100           HB1      LEU 100   7.617  -1.701   1.011
  840    HG   LEU 100           HG       LEU 100   5.628  -1.051  -1.164
  841   HD11  LEU 100          HD11      LEU 100   4.779   0.575   0.442
  842   HD12  LEU 100          HD12      LEU 100   5.941   0.002   1.639
  843   HD13  LEU 100          HD13      LEU 100   4.664  -1.070   1.068
  844   HD21  LEU 100          HD21      LEU 100   7.859   0.597   0.018
  845   HD22  LEU 100          HD22      LEU 100   6.599   1.213  -1.050
  846   HD23  LEU 100          HD23      LEU 100   7.745   0.012  -1.643
  847    H    GLN 101           HN       GLN 101   7.304  -4.945  -0.431
  848    HA   GLN 101           HA       GLN 101   9.160  -5.669   1.541
  849    HB2  GLN 101           HB2      GLN 101   7.004  -6.785   1.237
  850    HB3  GLN 101           HB1      GLN 101   7.525  -7.413  -0.315
  851    HG2  GLN 101           HG2      GLN 101   9.076  -8.090   2.142
  852    HG3  GLN 101           HG1      GLN 101   7.558  -8.918   1.813
  853   HE21  GLN 101          HE21      GLN 101  10.247 -10.009   1.910
  854   HE22  GLN 101          HE22      GLN 101  10.547 -10.710   0.355
  855    H    GLY 102           HN       GLY 102   9.138  -6.280  -1.963
  856    HA2  GLY 102           HA2      GLY 102  11.522  -7.795  -2.024
  857    HA3  GLY 102           HA1      GLY 102  10.819  -6.931  -3.384
  858    H    LEU 103           HN       LEU 103  10.903  -4.334  -2.438
  859    HA   LEU 103           HA       LEU 103  13.571  -3.616  -3.010
  860    HB2  LEU 103           HB2      LEU 103  11.624  -2.183  -3.503
  861    HB3  LEU 103           HB1      LEU 103  11.355  -1.963  -1.784
  862    HG   LEU 103           HG       LEU 103  13.552  -0.815  -1.617
  863   HD11  LEU 103          HD11      LEU 103  14.663  -0.090  -3.678
  864   HD12  LEU 103          HD12      LEU 103  13.544  -1.073  -4.621
  865   HD13  LEU 103          HD13      LEU 103  14.675  -1.845  -3.507
  866   HD21  LEU 103          HD21      LEU 103  11.502   0.471  -1.880
  867   HD22  LEU 103          HD22      LEU 103  11.633   0.343  -3.634
  868   HD23  LEU 103          HD23      LEU 103  12.843   1.247  -2.724
  869    H    ALA 104           HN       ALA 104  11.717  -3.733   0.003
  870    HA   ALA 104           HA       ALA 104  13.573  -2.521   1.692
  871    HB1  ALA 104           HB1      ALA 104  11.543  -4.658   2.319
  872    HB2  ALA 104           HB2      ALA 104  11.302  -2.911   2.400
  873    HB3  ALA 104           HB3      ALA 104  12.409  -3.702   3.521
  874    H    VAL 105           HN       VAL 105  13.146  -5.971   0.913
  875    HA   VAL 105           HA       VAL 105  15.251  -6.881   2.558
  876    HB   VAL 105           HB       VAL 105  14.012  -8.143   0.114
  877   HG11  VAL 105          HG11      VAL 105  16.249  -9.042   0.439
  878   HG12  VAL 105          HG12      VAL 105  15.029 -10.242   0.871
  879   HG13  VAL 105          HG13      VAL 105  15.885  -9.361   2.135
  880   HG21  VAL 105          HG21      VAL 105  12.891  -9.569   1.782
  881   HG22  VAL 105          HG22      VAL 105  12.461  -7.866   1.945
  882   HG23  VAL 105          HG23      VAL 105  13.611  -8.597   3.064
  883    H    THR 106           HN       THR 106  15.116  -5.893  -0.819
  884    HA   THR 106           HA       THR 106  17.724  -6.595  -1.545
  885    HB   THR 106           HB       THR 106  16.027  -4.324  -2.600
  886    HG1  THR 106           HG1      THR 106  14.891  -6.135  -3.030
  887   HG21  THR 106          HG21      THR 106  18.363  -4.080  -3.262
  888   HG22  THR 106          HG22      THR 106  17.371  -4.552  -4.642
  889   HG23  THR 106          HG23      THR 106  18.386  -5.747  -3.835
  890    H    ILE 107           HN       ILE 107  16.433  -3.612  -0.115
  891    HA   ILE 107           HA       ILE 107  18.943  -2.249  -0.107
  892    HB   ILE 107           HB       ILE 107  16.482  -1.690   1.554
  893   HG12  ILE 107          HG12      ILE 107  17.353  -0.417  -1.052
  894   HG13  ILE 107          HG11      ILE 107  16.095  -1.643  -0.918
  895   HG21  ILE 107          HG21      ILE 107  17.408   0.573   1.758
  896   HG22  ILE 107          HG22      ILE 107  18.854   0.048   0.896
  897   HG23  ILE 107          HG23      ILE 107  18.468  -0.645   2.470
  898   HD11  ILE 107          HD11      ILE 107  15.150   0.587  -1.081
  899   HD12  ILE 107          HD12      ILE 107  16.042   1.081   0.359
  900   HD13  ILE 107          HD13      ILE 107  14.779  -0.145   0.481
  901    H    SER 108           HN       SER 108  17.163  -4.227   2.190
  902    HA   SER 108           HA       SER 108  18.743  -3.634   4.455
  903    HB2  SER 108           HB2      SER 108  16.465  -4.664   4.530
  904    HB3  SER 108           HB1      SER 108  17.163  -6.164   3.924
  905    HG   SER 108           HG       SER 108  18.659  -5.565   5.937
  906    H    ARG 109           HN       ARG 109  19.238  -5.714   1.732
  907    HA   ARG 109           HA       ARG 109  21.424  -7.085   3.083
  908    HB2  ARG 109           HB2      ARG 109  19.799  -8.365   1.653
  909    HB3  ARG 109           HB1      ARG 109  20.436  -7.509   0.256
  910    HG2  ARG 109           HG2      ARG 109  21.400  -9.745   0.483
  911    HG3  ARG 109           HG1      ARG 109  22.626  -8.484   0.621
  912    HD2  ARG 109           HD2      ARG 109  22.429  -8.681   3.106
  913    HD3  ARG 109           HD1      ARG 109  21.370 -10.067   2.862
  914    HE   ARG 109           HE       ARG 109  23.566 -10.744   1.456
  915   HH11  ARG 109          HH11      ARG 109  23.098  -9.616   4.737
  916   HH12  ARG 109          HH12      ARG 109  24.508 -10.421   5.350
  917   HH21  ARG 109          HH21      ARG 109  25.437 -11.797   2.260
  918   HH22  ARG 109          HH22      ARG 109  25.831 -11.665   3.945
  919    H    GLU 110           HN       GLU 110  21.230  -4.163   2.002
  920    HA   GLU 110           HA       GLU 110  23.725  -4.160   0.485
  921    HB2  GLU 110           HB2      GLU 110  21.920  -1.884   1.338
  922    HB3  GLU 110           HB1      GLU 110  23.380  -1.698   0.377
  923    HG2  GLU 110           HG2      GLU 110  22.369  -3.132  -1.360
  924    HG3  GLU 110           HG1      GLU 110  20.886  -3.183  -0.407
  925    H    ASN 111           HN       ASN 111  22.801  -4.408   3.580
  926    HA   ASN 111           HA       ASN 111  25.013  -2.815   4.660
  927    HB2  ASN 111           HB2      ASN 111  22.599  -4.051   6.009
  928    HB3  ASN 111           HB1      ASN 111  23.890  -3.222   6.869
  929   HD21  ASN 111          HD21      ASN 111  24.019  -1.004   6.782
  930   HD22  ASN 111          HD22      ASN 111  22.759  -0.017   6.124
  931    H    ILE 112           HN       ILE 112  26.029  -4.874   3.398
  932    HA   ILE 112           HA       ILE 112  26.126  -7.229   5.081
  933    HB   ILE 112           HB       ILE 112  27.811  -6.706   2.633
  934   HG12  ILE 112          HG12      ILE 112  25.130  -8.099   2.760
  935   HG13  ILE 112          HG11      ILE 112  25.362  -6.467   2.157
  936   HG21  ILE 112          HG21      ILE 112  26.932  -9.245   4.000
  937   HG22  ILE 112          HG22      ILE 112  28.551  -8.545   4.046
  938   HG23  ILE 112          HG23      ILE 112  27.896  -9.155   2.525
  939   HD11  ILE 112          HD11      ILE 112  25.193  -8.053   0.336
  940   HD12  ILE 112          HD12      ILE 112  26.548  -8.972   0.991
  941   HD13  ILE 112          HD13      ILE 112  26.804  -7.337   0.382
  942    H    THR 113           HN       THR 113  26.906  -5.502   6.741
  943    HA   THR 113           HA       THR 113  29.809  -5.190   6.671
  944    HB   THR 113           HB       THR 113  29.362  -3.953   8.868
  945    HG1  THR 113           HG1      THR 113  27.089  -3.217   8.959
  946   HG21  THR 113          HG21      THR 113  28.542  -1.931   7.721
  947   HG22  THR 113          HG22      THR 113  28.109  -2.913   6.323
  948   HG23  THR 113          HG23      THR 113  29.799  -2.751   6.799
  949    H    GLU 114           HN       GLU 114  27.374  -6.235   9.029
  950    HA   GLU 114           HA       GLU 114  29.232  -7.781  10.543
  951    HB2  GLU 114           HB2      GLU 114  27.054  -6.667  11.337
  952    HB3  GLU 114           HB1      GLU 114  26.234  -8.046  10.630
  953    HG2  GLU 114           HG2      GLU 114  26.511  -8.447  12.959
  954    HG3  GLU 114           HG1      GLU 114  27.597  -9.524  12.082
  955    H    VAL 115           HN       VAL 115  30.037  -9.666   9.853
  956    HA   VAL 115           HA       VAL 115  28.353 -11.358   8.141
  957    HB   VAL 115           HB       VAL 115  30.486 -12.551   7.556
  958   HG11  VAL 115          HG11      VAL 115  31.248 -10.831   5.994
  959   HG12  VAL 115          HG12      VAL 115  30.359  -9.610   6.904
  960   HG13  VAL 115          HG13      VAL 115  29.488 -10.896   6.071
  961   HG21  VAL 115          HG21      VAL 115  31.766 -10.197   8.945
  962   HG22  VAL 115          HG22      VAL 115  32.607 -11.402   7.973
  963   HG23  VAL 115          HG23      VAL 115  31.829 -11.876   9.482
  964    H    GLY 116           HN       GLY 116  28.175 -11.137  11.026
  965    HA2  GLY 116           HA2      GLY 116  28.257 -13.973  11.625
  966    HA3  GLY 116           HA1      GLY 116  29.257 -12.953  12.653
  967    H    ALA 117           HN       ALA 117  27.720 -13.955  14.273
  968    HA   ALA 117           HA       ALA 117  25.316 -12.265  14.501
  969    HB1  ALA 117           HB1      ALA 117  24.685 -14.568  13.984
  970    HB2  ALA 117           HB2      ALA 117  24.178 -14.121  15.612
  971    HB3  ALA 117           HB3      ALA 117  25.600 -15.138  15.380
  972    HA   PRO 118           HA       PRO 118  27.873 -11.612  18.266
  973    HB2  PRO 118           HB2      PRO 118  27.796  -8.933  18.301
  974    HB3  PRO 118           HB1      PRO 118  28.910  -9.805  17.243
  975    HG2  PRO 118           HG2      PRO 118  26.301  -8.503  16.587
  976    HG3  PRO 118           HG1      PRO 118  27.809  -8.520  15.655
  977    HD2  PRO 118           HD2      PRO 118  25.649 -10.167  15.167
  978    HD3  PRO 118           HD1      PRO 118  27.316 -10.527  14.684
  979    H    THR 119           HN       THR 119  27.200 -10.957  20.347
  980    HA   THR 119           HA       THR 119  24.362 -10.973  20.756
  981    HB   THR 119           HB       THR 119  25.087 -10.668  23.199
  982    HG1  THR 119           HG1      THR 119  27.187  -9.815  22.629
  983   HG21  THR 119          HG21      THR 119  24.478 -12.842  22.246
  984   HG22  THR 119          HG22      THR 119  25.816 -13.001  23.385
  985   HG23  THR 119          HG23      THR 119  26.125 -13.046  21.649
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1 -31.998   8.880  -0.021
    2    H2   GLY   1           HT2      GLY   1 -31.457   8.278  -1.507
    3    H3   GLY   1           HT3      GLY   1 -31.302   7.340  -0.109
    4    HA2  GLY   1           HA1      GLY   1 -33.135   6.553  -1.469
    5    HA3  GLY   1           HA2      GLY   1 -33.690   7.154   0.088
    6    HA   PRO   2           HA       PRO   2 -35.483   9.284  -3.946
    7    HB2  PRO   2           HB2      PRO   2 -38.018   8.151  -3.634
    8    HB3  PRO   2           HB1      PRO   2 -36.809   7.661  -4.822
    9    HG2  PRO   2           HG2      PRO   2 -37.463   6.463  -2.172
   10    HG3  PRO   2           HG1      PRO   2 -37.004   5.663  -3.686
   11    HD2  PRO   2           HD2      PRO   2 -35.260   5.933  -1.680
   12    HD3  PRO   2           HD1      PRO   2 -34.742   6.099  -3.370
   13    H    MET   3           HN       MET   3 -36.761   8.536  -0.750
   14    HA   MET   3           HA       MET   3 -37.670  11.325  -0.552
   15    HB2  MET   3           HB2      MET   3 -39.582  10.557   0.839
   16    HB3  MET   3           HB1      MET   3 -39.673  10.003  -0.825
   17    HG2  MET   3           HG2      MET   3 -38.832   7.810  -0.130
   18    HG3  MET   3           HG1      MET   3 -38.777   8.372   1.539
   19    HE1  MET   3           HE1      MET   3 -41.788   5.862   1.532
   20    HE2  MET   3           HE2      MET   3 -40.241   6.278   2.268
   21    HE3  MET   3           HE3      MET   3 -40.302   5.730   0.593
   22    H    ALA   4           HN       ALA   4 -35.205  10.001   0.253
   23    HA   ALA   4           HA       ALA   4 -35.205  10.756   3.053
   24    HB1  ALA   4           HB1      ALA   4 -35.839   8.392   3.124
   25    HB2  ALA   4           HB2      ALA   4 -34.251   8.665   3.839
   26    HB3  ALA   4           HB3      ALA   4 -34.382   7.979   2.220
   27    H    MET   5           HN       MET   5 -33.707  12.309   2.753
   28    HA   MET   5           HA       MET   5 -31.237  11.784   1.348
   29    HB2  MET   5           HB2      MET   5 -32.108  14.017   1.204
   30    HB3  MET   5           HB1      MET   5 -32.233  14.143   2.952
   31    HG2  MET   5           HG2      MET   5 -30.358  15.429   2.068
   32    HG3  MET   5           HG1      MET   5 -29.827  14.156   3.163
   33    HE1  MET   5           HE1      MET   5 -27.838  15.691   1.267
   34    HE2  MET   5           HE2      MET   5 -26.869  14.363   0.632
   35    HE3  MET   5           HE3      MET   5 -27.339  14.377   2.331
   36    H    LEU   6           HN       LEU   6 -30.294  10.080   2.478
   37    HA   LEU   6           HA       LEU   6 -29.119  10.873   5.048
   38    HB2  LEU   6           HB2      LEU   6 -31.020   9.307   5.436
   39    HB3  LEU   6           HB1      LEU   6 -30.205   8.118   4.439
   40    HG   LEU   6           HG       LEU   6 -28.326   8.095   6.064
   41   HD11  LEU   6          HD11      LEU   6 -28.685   9.092   8.282
   42   HD12  LEU   6          HD12      LEU   6 -30.147   9.871   7.679
   43   HD13  LEU   6          HD13      LEU   6 -28.575  10.307   7.008
   44   HD21  LEU   6          HD21      LEU   6 -30.096   6.426   6.186
   45   HD22  LEU   6          HD22      LEU   6 -31.039   7.491   7.228
   46   HD23  LEU   6          HD23      LEU   6 -29.502   6.839   7.793
   47    H    ALA   7           HN       ALA   7 -27.290  11.414   3.758
   48    HA   ALA   7           HA       ALA   7 -25.981   9.340   2.241
   49    HB1  ALA   7           HB1      ALA   7 -24.316  11.034   1.729
   50    HB2  ALA   7           HB2      ALA   7 -25.051  12.126   2.901
   51    HB3  ALA   7           HB3      ALA   7 -25.944  11.654   1.457
   52    H    ARG   8           HN       ARG   8 -25.137   7.760   3.451
   53    HA   ARG   8           HA       ARG   8 -23.420   8.517   5.723
   54    HB2  ARG   8           HB2      ARG   8 -24.792   5.871   5.189
   55    HB3  ARG   8           HB1      ARG   8 -23.796   6.248   6.588
   56    HG2  ARG   8           HG2      ARG   8 -26.418   7.549   5.882
   57    HG3  ARG   8           HG1      ARG   8 -26.163   6.335   7.137
   58    HD2  ARG   8           HD2      ARG   8 -24.908   9.079   7.058
   59    HD3  ARG   8           HD1      ARG   8 -26.277   8.605   8.062
   60    HE   ARG   8           HE       ARG   8 -24.382   6.824   8.771
   61   HH11  ARG   8          HH11      ARG   8 -24.354  10.314   8.506
   62   HH12  ARG   8          HH12      ARG   8 -23.204  10.531   9.783
   63   HH21  ARG   8          HH21      ARG   8 -22.862   7.103  10.451
   64   HH22  ARG   8          HH22      ARG   8 -22.350   8.700  10.890
   65    H    ARG   9           HN       ARG   9 -21.421   7.362   5.957
   66    HA   ARG   9           HA       ARG   9 -20.195   6.832   3.398
   67    HB2  ARG   9           HB2      ARG   9 -19.120   8.202   5.236
   68    HB3  ARG   9           HB1      ARG   9 -18.909   6.702   6.129
   69    HG2  ARG   9           HG2      ARG   9 -17.544   5.819   4.292
   70    HG3  ARG   9           HG1      ARG   9 -17.723   7.353   3.439
   71    HD2  ARG   9           HD2      ARG   9 -15.602   7.334   4.573
   72    HD3  ARG   9           HD1      ARG   9 -16.667   8.494   5.367
   73    HE   ARG   9           HE       ARG   9 -17.010   6.179   6.781
   74   HH11  ARG   9          HH11      ARG   9 -14.248   8.156   5.917
   75   HH12  ARG   9          HH12      ARG   9 -13.344   7.742   7.337
   76   HH21  ARG   9          HH21      ARG   9 -15.812   5.626   8.658
   77   HH22  ARG   9          HH22      ARG   9 -14.231   6.307   8.896
   78    H    GLN  10           HN       GLN  10 -21.961   4.944   3.609
   79    HA   GLN  10           HA       GLN  10 -20.378   2.545   3.859
   80    HB2  GLN  10           HB2      GLN  10 -21.380   2.874   6.128
   81    HB3  GLN  10           HB1      GLN  10 -22.972   2.791   5.392
   82    HG2  GLN  10           HG2      GLN  10 -22.298   0.680   6.448
   83    HG3  GLN  10           HG1      GLN  10 -22.596   0.509   4.719
   84   HE21  GLN  10          HE21      GLN  10 -20.178   0.546   7.221
   85   HE22  GLN  10          HE22      GLN  10 -18.904  -0.134   6.275
   86    H    ARG  11           HN       ARG  11 -20.851   3.271   1.592
   87    HA   ARG  11           HA       ARG  11 -23.136   1.763   0.580
   88    HB2  ARG  11           HB2      ARG  11 -23.440   3.615  -1.151
   89    HB3  ARG  11           HB1      ARG  11 -24.015   3.955   0.474
   90    HG2  ARG  11           HG2      ARG  11 -22.155   5.347   0.940
   91    HG3  ARG  11           HG1      ARG  11 -21.319   4.826  -0.525
   92    HD2  ARG  11           HD2      ARG  11 -23.956   6.263  -0.550
   93    HD3  ARG  11           HD1      ARG  11 -22.404   7.096  -0.627
   94    HE   ARG  11           HE       ARG  11 -22.305   5.213  -2.626
   95   HH11  ARG  11          HH11      ARG  11 -24.403   7.888  -1.799
   96   HH12  ARG  11          HH12      ARG  11 -24.820   8.239  -3.445
   97   HH21  ARG  11          HH21      ARG  11 -22.854   5.659  -4.793
   98   HH22  ARG  11          HH22      ARG  11 -23.939   6.962  -5.156
   99    H    ASP  12           HN       ASP  12 -20.084   3.386   0.000
  100    HA   ASP  12           HA       ASP  12 -19.404   1.304  -1.947
  101    HB2  ASP  12           HB2      ASP  12 -18.726   4.248  -2.226
  102    HB3  ASP  12           HB1      ASP  12 -18.183   2.965  -3.301
  103    HA   PRO  13           HA       PRO  13 -16.449   1.693   1.689
  104    HB2  PRO  13           HB2      PRO  13 -16.324  -1.229   1.181
  105    HB3  PRO  13           HB1      PRO  13 -16.504  -0.360   2.708
  106    HG2  PRO  13           HG2      PRO  13 -18.568  -1.644   1.611
  107    HG3  PRO  13           HG1      PRO  13 -18.790  -0.091   2.439
  108    HD2  PRO  13           HD2      PRO  13 -18.697  -0.685  -0.489
  109    HD3  PRO  13           HD1      PRO  13 -19.730   0.454   0.399
  110    H    LEU  14           HN       LEU  14 -16.220  -0.242  -1.275
  111    HA   LEU  14           HA       LEU  14 -13.378  -0.443  -1.242
  112    HB2  LEU  14           HB2      LEU  14 -15.192  -0.572  -3.662
  113    HB3  LEU  14           HB1      LEU  14 -13.552  -1.195  -3.542
  114    HG   LEU  14           HG       LEU  14 -15.940  -2.259  -2.020
  115   HD11  LEU  14          HD11      LEU  14 -15.680  -4.226  -3.462
  116   HD12  LEU  14          HD12      LEU  14 -14.435  -3.375  -4.377
  117   HD13  LEU  14          HD13      LEU  14 -16.093  -2.776  -4.377
  118   HD21  LEU  14          HD21      LEU  14 -13.080  -3.197  -2.148
  119   HD22  LEU  14          HD22      LEU  14 -14.411  -4.119  -1.449
  120   HD23  LEU  14          HD23      LEU  14 -13.934  -2.578  -0.734
  121    H    GLN  15           HN       GLN  15 -15.638   1.916  -2.493
  122    HA   GLN  15           HA       GLN  15 -13.689   3.396  -3.971
  123    HB2  GLN  15           HB2      GLN  15 -16.471   4.076  -3.023
  124    HB3  GLN  15           HB1      GLN  15 -15.486   5.176  -3.977
  125    HG2  GLN  15           HG2      GLN  15 -16.316   2.414  -4.836
  126    HG3  GLN  15           HG1      GLN  15 -17.102   3.915  -5.329
  127   HE21  GLN  15          HE21      GLN  15 -16.052   5.295  -6.741
  128   HE22  GLN  15          HE22      GLN  15 -14.697   4.790  -7.690
  129    H    ALA  16           HN       ALA  16 -15.164   3.737  -0.762
  130    HA   ALA  16           HA       ALA  16 -13.839   6.118  -0.040
  131    HB1  ALA  16           HB1      ALA  16 -15.749   5.240   1.206
  132    HB2  ALA  16           HB2      ALA  16 -14.363   5.502   2.265
  133    HB3  ALA  16           HB3      ALA  16 -14.777   3.869   1.740
  134    H    LEU  17           HN       LEU  17 -13.001   2.708   0.471
  135    HA   LEU  17           HA       LEU  17 -10.545   3.195   1.764
  136    HB2  LEU  17           HB2      LEU  17 -11.733   1.036   1.833
  137    HB3  LEU  17           HB1      LEU  17 -11.381   0.800   0.132
  138    HG   LEU  17           HG       LEU  17  -8.959   0.790   0.660
  139   HD11  LEU  17          HD11      LEU  17  -9.918   0.871   3.517
  140   HD12  LEU  17          HD12      LEU  17  -8.983   2.115   2.687
  141   HD13  LEU  17          HD13      LEU  17  -8.264   0.537   3.002
  142   HD21  LEU  17          HD21      LEU  17 -10.165  -1.301   0.462
  143   HD22  LEU  17          HD22      LEU  17 -10.632  -1.214   2.160
  144   HD23  LEU  17          HD23      LEU  17  -8.937  -1.418   1.721
  145    H    ARG  18           HN       ARG  18 -11.450   2.923  -1.615
  146    HA   ARG  18           HA       ARG  18  -8.949   2.577  -2.785
  147    HB2  ARG  18           HB2      ARG  18 -11.204   2.494  -3.923
  148    HB3  ARG  18           HB1      ARG  18 -11.195   4.251  -3.926
  149    HG2  ARG  18           HG2      ARG  18  -9.214   4.259  -5.329
  150    HG3  ARG  18           HG1      ARG  18  -9.166   2.496  -5.288
  151    HD2  ARG  18           HD2      ARG  18 -11.485   2.523  -6.274
  152    HD3  ARG  18           HD1      ARG  18 -11.272   4.254  -6.525
  153    HE   ARG  18           HE       ARG  18  -9.087   3.136  -7.704
  154   HH11  ARG  18          HH11      ARG  18 -12.547   2.731  -8.041
  155   HH12  ARG  18          HH12      ARG  18 -12.458   2.232  -9.698
  156   HH21  ARG  18          HH21      ARG  18  -8.963   2.475  -9.891
  157   HH22  ARG  18          HH22      ARG  18 -10.418   2.094 -10.754
  158    H    ARG  19           HN       ARG  19 -10.546   5.515  -1.673
  159    HA   ARG  19           HA       ARG  19  -8.663   7.366  -2.659
  160    HB2  ARG  19           HB2      ARG  19 -10.874   8.037  -1.843
  161    HB3  ARG  19           HB1      ARG  19 -10.452   7.516  -0.220
  162    HG2  ARG  19           HG2      ARG  19  -8.802   9.253  -0.038
  163    HG3  ARG  19           HG1      ARG  19  -9.057   9.721  -1.720
  164    HD2  ARG  19           HD2      ARG  19 -10.213  11.215  -0.139
  165    HD3  ARG  19           HD1      ARG  19 -11.321  10.392  -1.231
  166    HE   ARG  19           HE       ARG  19 -10.863   9.348   1.480
  167   HH11  ARG  19          HH11      ARG  19 -13.022  10.647  -0.961
  168   HH12  ARG  19          HH12      ARG  19 -14.458  10.315  -0.046
  169   HH21  ARG  19          HH21      ARG  19 -12.747   8.904   2.677
  170   HH22  ARG  19          HH22      ARG  19 -14.303   9.320   2.027
  171    H    ARG  20           HN       ARG  20  -8.911   5.634   0.411
  172    HA   ARG  20           HA       ARG  20  -6.577   6.778   1.558
  173    HB2  ARG  20           HB2      ARG  20  -8.445   5.742   2.852
  174    HB3  ARG  20           HB1      ARG  20  -7.923   4.167   2.278
  175    HG2  ARG  20           HG2      ARG  20  -5.772   4.468   3.403
  176    HG3  ARG  20           HG1      ARG  20  -6.293   6.055   3.969
  177    HD2  ARG  20           HD2      ARG  20  -8.189   4.936   5.146
  178    HD3  ARG  20           HD1      ARG  20  -7.492   3.379   4.692
  179    HE   ARG  20           HE       ARG  20  -5.577   5.009   6.028
  180   HH11  ARG  20          HH11      ARG  20  -8.373   2.984   6.608
  181   HH12  ARG  20          HH12      ARG  20  -7.920   2.602   8.238
  182   HH21  ARG  20          HH21      ARG  20  -4.968   4.493   8.176
  183   HH22  ARG  20          HH22      ARG  20  -5.986   3.461   9.128
  184    H    ASN  21           HN       ASN  21  -7.204   3.855  -0.332
  185    HA   ASN  21           HA       ASN  21  -4.630   2.716  -0.131
  186    HB2  ASN  21           HB2      ASN  21  -6.652   2.533  -2.383
  187    HB3  ASN  21           HB1      ASN  21  -5.180   1.575  -2.298
  188   HD21  ASN  21          HD21      ASN  21  -7.880   0.627  -2.388
  189   HD22  ASN  21          HD22      ASN  21  -8.142  -0.272  -0.936
  190    H    GLN  22           HN       GLN  22  -6.000   5.072  -2.386
  191    HA   GLN  22           HA       GLN  22  -3.739   5.315  -4.043
  192    HB2  GLN  22           HB2      GLN  22  -5.944   6.120  -4.711
  193    HB3  GLN  22           HB1      GLN  22  -5.920   7.313  -3.423
  194    HG2  GLN  22           HG2      GLN  22  -4.136   8.509  -4.476
  195    HG3  GLN  22           HG1      GLN  22  -3.948   7.247  -5.691
  196   HE21  GLN  22          HE21      GLN  22  -4.548  10.123  -5.972
  197   HE22  GLN  22          HE22      GLN  22  -6.011  10.199  -6.886
  198    H    GLU  23           HN       GLU  23  -4.617   6.785  -0.998
  199    HA   GLU  23           HA       GLU  23  -2.652   8.791  -0.884
  200    HB2  GLU  23           HB2      GLU  23  -4.611   8.562   0.657
  201    HB3  GLU  23           HB1      GLU  23  -3.805   7.196   1.414
  202    HG2  GLU  23           HG2      GLU  23  -3.509   9.170   2.750
  203    HG3  GLU  23           HG1      GLU  23  -1.959   8.674   2.069
  204    H    LEU  24           HN       LEU  24  -2.651   5.416   0.209
  205    HA   LEU  24           HA       LEU  24   0.017   5.415   1.177
  206    HB2  LEU  24           HB2      LEU  24  -1.631   3.097   0.159
  207    HB3  LEU  24           HB1      LEU  24  -0.156   2.967   1.093
  208    HG   LEU  24           HG       LEU  24  -2.773   4.113   2.080
  209   HD11  LEU  24          HD11      LEU  24  -1.319   1.581   2.819
  210   HD12  LEU  24          HD12      LEU  24  -2.751   1.670   1.795
  211   HD13  LEU  24          HD13      LEU  24  -2.847   2.149   3.489
  212   HD21  LEU  24          HD21      LEU  24  -0.142   3.706   3.499
  213   HD22  LEU  24          HD22      LEU  24  -1.659   4.168   4.268
  214   HD23  LEU  24          HD23      LEU  24  -0.895   5.253   3.112
  215    H    LYS  25           HN       LYS  25  -1.447   4.586  -1.919
  216    HA   LYS  25           HA       LYS  25   0.797   3.467  -3.154
  217    HB2  LYS  25           HB2      LYS  25  -1.563   3.341  -3.964
  218    HB3  LYS  25           HB1      LYS  25  -1.426   5.012  -4.487
  219    HG2  LYS  25           HG2      LYS  25   0.300   4.418  -6.067
  220    HG3  LYS  25           HG1      LYS  25   0.287   2.750  -5.491
  221    HD2  LYS  25           HD2      LYS  25  -0.990   2.862  -7.523
  222    HD3  LYS  25           HD1      LYS  25  -2.098   2.594  -6.178
  223    HE2  LYS  25           HE2      LYS  25  -3.033   4.237  -7.675
  224    HE3  LYS  25           HE1      LYS  25  -2.602   5.010  -6.152
  225    HZ1  LYS  25           HZ1      LYS  25  -1.027   5.098  -8.666
  226    HZ2  LYS  25           HZ2      LYS  25  -0.555   5.799  -7.204
  227    HZ3  LYS  25           HZ3      LYS  25  -1.926   6.369  -8.007
  228    H    GLN  26           HN       GLN  26  -0.286   6.816  -2.938
  229    HA   GLN  26           HA       GLN  26   1.564   7.973  -4.701
  230    HB2  GLN  26           HB2      GLN  26  -0.418   9.130  -3.774
  231    HB3  GLN  26           HB1      GLN  26   0.348   9.150  -2.194
  232    HG2  GLN  26           HG2      GLN  26   2.188  10.506  -3.186
  233    HG3  GLN  26           HG1      GLN  26   1.242  10.596  -4.671
  234   HE21  GLN  26          HE21      GLN  26   0.955  12.790  -4.586
  235   HE22  GLN  26          HE22      GLN  26  -0.043  13.570  -3.408
  236    H    GLN  27           HN       GLN  27   1.688   7.376  -1.242
  237    HA   GLN  27           HA       GLN  27   4.226   8.473  -0.744
  238    HB2  GLN  27           HB2      GLN  27   2.673   6.312   0.678
  239    HB3  GLN  27           HB1      GLN  27   4.180   6.981   1.291
  240    HG2  GLN  27           HG2      GLN  27   3.215   9.136   1.538
  241    HG3  GLN  27           HG1      GLN  27   1.760   8.652   0.673
  242   HE21  GLN  27          HE21      GLN  27   0.196   7.464   1.746
  243   HE22  GLN  27          HE22      GLN  27   0.211   7.245   3.459
  244    H    VAL  28           HN       VAL  28   3.244   5.163  -1.545
  245    HA   VAL  28           HA       VAL  28   5.724   3.927  -1.522
  246    HB   VAL  28           HB       VAL  28   3.370   3.402  -3.345
  247   HG11  VAL  28          HG11      VAL  28   5.398   2.458  -4.308
  248   HG12  VAL  28          HG12      VAL  28   4.333   1.186  -3.710
  249   HG13  VAL  28          HG13      VAL  28   5.758   1.651  -2.783
  250   HG21  VAL  28          HG21      VAL  28   2.831   3.136  -0.992
  251   HG22  VAL  28          HG22      VAL  28   4.240   2.097  -0.768
  252   HG23  VAL  28          HG23      VAL  28   2.899   1.561  -1.783
  253    H    ASP  29           HN       ASP  29   4.129   5.581  -4.257
  254    HA   ASP  29           HA       ASP  29   6.198   5.113  -6.113
  255    HB2  ASP  29           HB2      ASP  29   3.998   7.166  -6.019
  256    HB3  ASP  29           HB1      ASP  29   5.192   7.154  -7.312
  257    H    SER  30           HN       SER  30   5.633   7.768  -3.857
  258    HA   SER  30           HA       SER  30   7.710   9.439  -4.765
  259    HB2  SER  30           HB2      SER  30   5.898  10.180  -3.229
  260    HB3  SER  30           HB1      SER  30   6.609   9.198  -1.948
  261    HG   SER  30           HG       SER  30   8.180  10.611  -1.703
  262    H    LEU  31           HN       LEU  31   7.649   6.719  -2.558
  263    HA   LEU  31           HA       LEU  31  10.287   7.064  -1.539
  264    HB2  LEU  31           HB2      LEU  31   8.478   5.751  -0.431
  265    HB3  LEU  31           HB1      LEU  31   8.627   4.547  -1.693
  266    HG   LEU  31           HG       LEU  31  10.956   4.112  -0.979
  267   HD11  LEU  31          HD11      LEU  31  10.279   6.116   1.160
  268   HD12  LEU  31          HD12      LEU  31  11.580   6.205  -0.029
  269   HD13  LEU  31          HD13      LEU  31  11.635   4.995   1.253
  270   HD21  LEU  31          HD21      LEU  31   8.876   3.879   1.191
  271   HD22  LEU  31          HD22      LEU  31  10.387   2.974   1.118
  272   HD23  LEU  31          HD23      LEU  31   9.153   2.732  -0.119
  273    H    LEU  32           HN       LEU  32   8.871   5.019  -4.037
  274    HA   LEU  32           HA       LEU  32  11.188   3.718  -4.885
  275    HB2  LEU  32           HB2      LEU  32   8.734   4.493  -6.466
  276    HB3  LEU  32           HB1      LEU  32   9.950   3.352  -7.011
  277    HG   LEU  32           HG       LEU  32   8.246   2.989  -4.547
  278   HD11  LEU  32          HD11      LEU  32   7.997   1.766  -7.288
  279   HD12  LEU  32          HD12      LEU  32   6.872   2.897  -6.537
  280   HD13  LEU  32          HD13      LEU  32   7.077   1.279  -5.866
  281   HD21  LEU  32          HD21      LEU  32   9.079   0.681  -4.629
  282   HD22  LEU  32          HD22      LEU  32  10.376   1.847  -4.382
  283   HD23  LEU  32          HD23      LEU  32  10.137   1.122  -5.970
  284    H    SER  33           HN       SER  33   9.893   6.872  -5.727
  285    HA   SER  33           HA       SER  33  11.629   7.381  -7.907
  286    HB2  SER  33           HB2      SER  33   9.530   8.637  -7.508
  287    HB3  SER  33           HB1      SER  33  10.255   9.365  -6.075
  288    HG   SER  33           HG       SER  33  10.853   9.782  -8.792
  289    H    GLU  34           HN       GLU  34  11.777   8.263  -4.468
  290    HA   GLU  34           HA       GLU  34  14.268   9.595  -4.649
  291    HB2  GLU  34           HB2      GLU  34  12.827   8.379  -2.304
  292    HB3  GLU  34           HB1      GLU  34  14.378   9.190  -2.140
  293    HG2  GLU  34           HG2      GLU  34  13.289  11.205  -3.208
  294    HG3  GLU  34           HG1      GLU  34  11.752  10.371  -2.991
  295    H    SER  35           HN       SER  35  13.393   6.276  -4.329
  296    HA   SER  35           HA       SER  35  15.801   5.209  -3.379
  297    HB2  SER  35           HB2      SER  35  13.787   3.881  -3.415
  298    HB3  SER  35           HB1      SER  35  13.676   4.012  -5.169
  299    HG   SER  35           HG       SER  35  16.074   3.007  -4.343
  300    H    GLN  36           HN       GLN  36  14.996   6.483  -6.494
  301    HA   GLN  36           HA       GLN  36  17.143   5.043  -7.828
  302    HB2  GLN  36           HB2      GLN  36  14.995   5.380  -8.986
  303    HB3  GLN  36           HB1      GLN  36  15.219   7.120  -8.884
  304    HG2  GLN  36           HG2      GLN  36  15.773   6.318 -11.091
  305    HG3  GLN  36           HG1      GLN  36  17.209   6.947 -10.288
  306   HE21  GLN  36          HE21      GLN  36  18.613   5.781 -11.559
  307   HE22  GLN  36          HE22      GLN  36  18.794   4.066 -11.420
  308    H    LEU  37           HN       LEU  37  16.681   7.929  -6.138
  309    HA   LEU  37           HA       LEU  37  18.365   9.677  -7.588
  310    HB2  LEU  37           HB2      LEU  37  17.586   9.706  -4.672
  311    HB3  LEU  37           HB1      LEU  37  18.347  11.034  -5.526
  312    HG   LEU  37           HG       LEU  37  15.610   9.921  -6.127
  313   HD11  LEU  37          HD11      LEU  37  16.440  12.483  -4.780
  314   HD12  LEU  37          HD12      LEU  37  15.673  11.098  -4.001
  315   HD13  LEU  37          HD13      LEU  37  14.791  12.030  -5.211
  316   HD21  LEU  37          HD21      LEU  37  17.127  12.246  -7.281
  317   HD22  LEU  37          HD22      LEU  37  15.406  11.958  -7.523
  318   HD23  LEU  37          HD23      LEU  37  16.585  10.798  -8.128
  319    H    LYS  38           HN       LYS  38  20.496   9.869  -7.627
  320    HA   LYS  38           HA       LYS  38  22.152   7.927  -6.399
  321    HB2  LYS  38           HB2      LYS  38  24.035   9.173  -7.365
  322    HB3  LYS  38           HB1      LYS  38  22.761   8.906  -8.545
  323    HG2  LYS  38           HG2      LYS  38  21.984  11.211  -8.197
  324    HG3  LYS  38           HG1      LYS  38  23.318  11.472  -7.070
  325    HD2  LYS  38           HD2      LYS  38  24.901  10.899  -8.898
  326    HD3  LYS  38           HD1      LYS  38  23.530  10.794 -10.005
  327    HE2  LYS  38           HE2      LYS  38  24.584  12.953 -10.229
  328    HE3  LYS  38           HE1      LYS  38  22.991  13.150  -9.504
  329    HZ1  LYS  38           HZ1      LYS  38  24.656  14.500  -8.391
  330    HZ2  LYS  38           HZ2      LYS  38  25.561  13.121  -8.020
  331    HZ3  LYS  38           HZ3      LYS  38  24.031  13.334  -7.341
  332    H    GLU  39           HN       GLU  39  21.166  11.141  -5.524
  333    HA   GLU  39           HA       GLU  39  23.053  11.590  -3.454
  334    HB2  GLU  39           HB2      GLU  39  21.353  13.226  -2.608
  335    HB3  GLU  39           HB1      GLU  39  21.789  13.448  -4.296
  336    HG2  GLU  39           HG2      GLU  39  19.758  12.351  -4.999
  337    HG3  GLU  39           HG1      GLU  39  19.328  12.025  -3.324
  338    H    ALA  40           HN       ALA  40  20.342   9.523  -3.709
  339    HA   ALA  40           HA       ALA  40  19.841   9.389  -0.866
  340    HB1  ALA  40           HB1      ALA  40  17.960   9.261  -2.389
  341    HB2  ALA  40           HB2      ALA  40  18.107   7.768  -1.461
  342    HB3  ALA  40           HB3      ALA  40  18.648   7.823  -3.140
  343    H    LEU  41           HN       LEU  41  22.179   8.185  -2.773
  344    HA   LEU  41           HA       LEU  41  22.330   5.475  -1.947
  345    HB2  LEU  41           HB2      LEU  41  23.511   6.326  -3.918
  346    HB3  LEU  41           HB1      LEU  41  24.514   7.333  -2.895
  347    HG   LEU  41           HG       LEU  41  25.463   5.291  -1.857
  348   HD11  LEU  41          HD11      LEU  41  23.865   3.858  -3.968
  349   HD12  LEU  41          HD12      LEU  41  23.595   3.780  -2.227
  350   HD13  LEU  41          HD13      LEU  41  25.079   3.128  -2.921
  351   HD21  LEU  41          HD21      LEU  41  26.841   4.650  -3.759
  352   HD22  LEU  41          HD22      LEU  41  26.589   6.396  -3.728
  353   HD23  LEU  41          HD23      LEU  41  25.684   5.394  -4.862
  354    H    GLU  42           HN       GLU  42  22.958   8.410  -0.370
  355    HA   GLU  42           HA       GLU  42  24.860   7.866   1.545
  356    HB2  GLU  42           HB2      GLU  42  23.736  10.030   1.338
  357    HB3  GLU  42           HB1      GLU  42  22.219   9.315   1.857
  358    HG2  GLU  42           HG2      GLU  42  23.167  10.557   3.666
  359    HG3  GLU  42           HG1      GLU  42  23.238   8.839   4.056
  360    HA   PRO  43           HA       PRO  43  23.295   4.122   3.453
  361    HB2  PRO  43           HB2      PRO  43  25.027   5.123   5.669
  362    HB3  PRO  43           HB1      PRO  43  24.956   3.519   4.931
  363    HG2  PRO  43           HG2      PRO  43  26.937   5.191   4.343
  364    HG3  PRO  43           HG1      PRO  43  26.218   4.159   3.094
  365    HD2  PRO  43           HD2      PRO  43  25.878   7.083   3.576
  366    HD3  PRO  43           HD1      PRO  43  25.898   6.183   2.045
  367    H    ASN  44           HN       ASN  44  23.347   7.232   5.150
  368    HA   ASN  44           HA       ASN  44  21.530   6.395   7.195
  369    HB2  ASN  44           HB2      ASN  44  22.315   9.175   6.281
  370    HB3  ASN  44           HB1      ASN  44  21.308   8.836   7.685
  371   HD21  ASN  44          HD21      ASN  44  23.802  10.227   7.680
  372   HD22  ASN  44          HD22      ASN  44  24.903   9.309   8.648
  373    H    LYS  45           HN       LYS  45  21.236   7.862   4.050
  374    HA   LYS  45           HA       LYS  45  18.420   8.359   4.279
  375    HB2  LYS  45           HB2      LYS  45  19.817   9.682   2.736
  376    HB3  LYS  45           HB1      LYS  45  20.158   8.230   1.803
  377    HG2  LYS  45           HG2      LYS  45  18.447   9.620   0.737
  378    HG3  LYS  45           HG1      LYS  45  17.810   8.038   1.193
  379    HD2  LYS  45           HD2      LYS  45  16.826   9.035   3.215
  380    HD3  LYS  45           HD1      LYS  45  17.441  10.614   2.725
  381    HE2  LYS  45           HE2      LYS  45  15.522   8.948   1.104
  382    HE3  LYS  45           HE1      LYS  45  15.040  10.248   2.191
  383    HZ1  LYS  45           HZ1      LYS  45  15.135  11.088  -0.027
  384    HZ2  LYS  45           HZ2      LYS  45  16.709  10.503  -0.246
  385    HZ3  LYS  45           HZ3      LYS  45  16.423  11.762   0.842
  386    H    ARG  46           HN       ARG  46  20.470   5.797   3.000
  387    HA   ARG  46           HA       ARG  46  18.460   4.251   1.793
  388    HB2  ARG  46           HB2      ARG  46  20.985   3.263   3.139
  389    HB3  ARG  46           HB1      ARG  46  19.997   2.353   2.004
  390    HG2  ARG  46           HG2      ARG  46  20.482   4.148   0.311
  391    HG3  ARG  46           HG1      ARG  46  21.660   4.794   1.455
  392    HD2  ARG  46           HD2      ARG  46  21.668   2.074   0.158
  393    HD3  ARG  46           HD1      ARG  46  22.802   3.393  -0.120
  394    HE   ARG  46           HE       ARG  46  22.593   2.009   2.483
  395   HH11  ARG  46          HH11      ARG  46  24.520   3.400  -0.099
  396   HH12  ARG  46          HH12      ARG  46  26.027   2.882   0.582
  397   HH21  ARG  46          HH21      ARG  46  24.586   1.352   3.380
  398   HH22  ARG  46          HH22      ARG  46  26.066   1.731   2.556
  399    H    GLN  47           HN       GLN  47  19.707   4.262   5.121
  400    HA   GLN  47           HA       GLN  47  18.003   2.228   6.088
  401    HB2  GLN  47           HB2      GLN  47  19.385   4.514   7.478
  402    HB3  GLN  47           HB1      GLN  47  18.430   3.314   8.337
  403    HG2  GLN  47           HG2      GLN  47  19.919   1.556   7.430
  404    HG3  GLN  47           HG1      GLN  47  20.917   2.827   6.722
  405   HE21  GLN  47          HE21      GLN  47  21.521   0.805   8.766
  406   HE22  GLN  47          HE22      GLN  47  22.085   1.687  10.141
  407    H    HIS  48           HN       HIS  48  17.630   5.690   5.712
  408    HA   HIS  48           HA       HIS  48  15.192   5.952   7.123
  409    HB2  HIS  48           HB2      HIS  48  16.776   7.823   6.400
  410    HB3  HIS  48           HB1      HIS  48  16.096   7.663   4.786
  411    HD1  HIS  48           HD1      HIS  48  15.410   9.058   8.151
  412    HD2  HIS  48           HD2      HIS  48  13.414   8.585   4.540
  413    HE1  HIS  48           HE1      HIS  48  13.421  10.585   8.275
  414    HE2  HIS  48           HE2      HIS  48  12.369  10.447   5.995
  415    H    ILE  49           HN       ILE  49  15.977   5.287   3.739
  416    HA   ILE  49           HA       ILE  49  13.314   5.200   2.775
  417    HB   ILE  49           HB       ILE  49  15.841   3.904   1.734
  418   HG12  ILE  49          HG12      ILE  49  14.317   6.350   0.807
  419   HG13  ILE  49          HG11      ILE  49  15.804   6.378   1.748
  420   HG21  ILE  49          HG21      ILE  49  13.863   2.665   0.972
  421   HG22  ILE  49          HG22      ILE  49  14.669   3.506  -0.353
  422   HG23  ILE  49          HG23      ILE  49  13.183   4.161   0.331
  423   HD11  ILE  49          HD11      ILE  49  16.976   5.284  -0.107
  424   HD12  ILE  49          HD12      ILE  49  16.259   6.823  -0.582
  425   HD13  ILE  49          HD13      ILE  49  15.485   5.308  -1.046
  426    H    TYR  50           HN       TYR  50  15.533   2.691   3.977
  427    HA   TYR  50           HA       TYR  50  13.883   0.469   3.613
  428    HB2  TYR  50           HB2      TYR  50  16.271   0.324   4.194
  429    HB3  TYR  50           HB1      TYR  50  15.933   0.999   5.782
  430    HD1  TYR  50           HD1      TYR  50  15.850  -0.484   7.536
  431    HD2  TYR  50           HD2      TYR  50  14.766  -1.868   3.657
  432    HE1  TYR  50           HE1      TYR  50  15.548  -2.749   8.435
  433    HE2  TYR  50           HE2      TYR  50  14.460  -4.136   4.552
  434    HH   TYR  50           HH       TYR  50  14.251  -4.811   7.835
  435    H    GLN  51           HN       GLN  51  14.094   2.786   6.274
  436    HA   GLN  51           HA       GLN  51  12.282   1.429   7.986
  437    HB2  GLN  51           HB2      GLN  51  13.933   3.223   8.683
  438    HB3  GLN  51           HB1      GLN  51  12.843   4.399   7.963
  439    HG2  GLN  51           HG2      GLN  51  12.543   4.241  10.380
  440    HG3  GLN  51           HG1      GLN  51  11.087   3.770   9.503
  441   HE21  GLN  51          HE21      GLN  51  10.294   2.582  11.216
  442   HE22  GLN  51          HE22      GLN  51  10.970   1.059  11.686
  443    H    ARG  52           HN       ARG  52  11.894   3.956   5.544
  444    HA   ARG  52           HA       ARG  52   9.157   4.442   5.978
  445    HB2  ARG  52           HB2      ARG  52  10.841   4.709   3.488
  446    HB3  ARG  52           HB1      ARG  52   9.164   5.225   3.577
  447    HG2  ARG  52           HG2      ARG  52  11.411   6.285   5.280
  448    HG3  ARG  52           HG1      ARG  52  10.729   7.082   3.863
  449    HD2  ARG  52           HD2      ARG  52   8.501   7.019   5.064
  450    HD3  ARG  52           HD1      ARG  52   9.394   6.529   6.504
  451    HE   ARG  52           HE       ARG  52  10.270   8.969   5.168
  452   HH11  ARG  52          HH11      ARG  52   8.460   7.529   7.805
  453   HH12  ARG  52          HH12      ARG  52   8.442   8.988   8.742
  454   HH21  ARG  52          HH21      ARG  52  10.241  10.882   6.410
  455   HH22  ARG  52          HH22      ARG  52   9.460  10.886   7.959
  456    H    CYS  53           HN       CYS  53  10.832   2.133   3.872
  457    HA   CYS  53           HA       CYS  53   8.625   0.946   2.687
  458    HB2  CYS  53           HB2      CYS  53  10.915   0.405   2.017
  459    HB3  CYS  53           HB1      CYS  53  11.204  -0.379   3.573
  460    HG   CYS  53           HG       CYS  53  10.587  -1.966   1.021
  461    H    ILE  54           HN       ILE  54  10.027   0.323   5.871
  462    HA   ILE  54           HA       ILE  54   8.305  -1.884   6.473
  463    HB   ILE  54           HB       ILE  54   9.949  -0.102   8.270
  464   HG12  ILE  54          HG12      ILE  54  10.381  -2.931   7.273
  465   HG13  ILE  54          HG11      ILE  54  11.258  -1.500   6.730
  466   HG21  ILE  54          HG21      ILE  54   8.061  -1.033   9.507
  467   HG22  ILE  54          HG22      ILE  54   9.587  -1.744  10.034
  468   HG23  ILE  54          HG23      ILE  54   8.509  -2.653   8.975
  469   HD11  ILE  54          HD11      ILE  54  12.219  -1.234   8.945
  470   HD12  ILE  54          HD12      ILE  54  12.563  -2.837   8.294
  471   HD13  ILE  54          HD13      ILE  54  11.310  -2.631   9.518
  472    H    GLN  55           HN       GLN  55   8.289   1.561   7.117
  473    HA   GLN  55           HA       GLN  55   6.045   1.712   8.779
  474    HB2  GLN  55           HB2      GLN  55   7.582   3.561   8.514
  475    HB3  GLN  55           HB1      GLN  55   7.194   3.692   6.807
  476    HG2  GLN  55           HG2      GLN  55   4.913   4.367   7.386
  477    HG3  GLN  55           HG1      GLN  55   5.326   4.259   9.097
  478   HE21  GLN  55          HE21      GLN  55   4.456   6.546   7.475
  479   HE22  GLN  55          HE22      GLN  55   5.686   7.748   7.664
  480    H    LEU  56           HN       LEU  56   6.295   1.943   5.234
  481    HA   LEU  56           HA       LEU  56   3.527   2.447   4.856
  482    HB2  LEU  56           HB2      LEU  56   5.540   1.386   2.867
  483    HB3  LEU  56           HB1      LEU  56   3.974   2.065   2.479
  484    HG   LEU  56           HG       LEU  56   6.306   3.561   3.685
  485   HD11  LEU  56          HD11      LEU  56   6.644   3.000   1.345
  486   HD12  LEU  56          HD12      LEU  56   6.362   4.730   1.543
  487   HD13  LEU  56          HD13      LEU  56   5.072   3.689   0.939
  488   HD21  LEU  56          HD21      LEU  56   3.563   4.529   2.886
  489   HD22  LEU  56          HD22      LEU  56   4.922   5.567   3.318
  490   HD23  LEU  56          HD23      LEU  56   4.231   4.476   4.516
  491    H    LYS  57           HN       LYS  57   5.523  -0.446   4.906
  492    HA   LYS  57           HA       LYS  57   3.696  -2.297   3.899
  493    HB2  LYS  57           HB2      LYS  57   6.037  -2.860   4.360
  494    HB3  LYS  57           HB1      LYS  57   5.757  -2.673   6.086
  495    HG2  LYS  57           HG2      LYS  57   4.074  -4.533   5.911
  496    HG3  LYS  57           HG1      LYS  57   4.644  -4.791   4.264
  497    HD2  LYS  57           HD2      LYS  57   6.406  -4.875   6.709
  498    HD3  LYS  57           HD1      LYS  57   5.693  -6.295   5.948
  499    HE2  LYS  57           HE2      LYS  57   7.512  -4.352   4.532
  500    HE3  LYS  57           HE1      LYS  57   8.063  -5.840   5.297
  501    HZ1  LYS  57           HZ1      LYS  57   6.097  -5.671   3.078
  502    HZ2  LYS  57           HZ2      LYS  57   6.627  -7.095   3.816
  503    HZ3  LYS  57           HZ3      LYS  57   7.712  -6.146   2.933
  504    H    GLN  58           HN       GLN  58   4.029  -0.888   7.094
  505    HA   GLN  58           HA       GLN  58   2.083  -2.569   8.354
  506    HB2  GLN  58           HB2      GLN  58   3.331   0.065   9.146
  507    HB3  GLN  58           HB1      GLN  58   2.197  -0.813  10.161
  508    HG2  GLN  58           HG2      GLN  58   3.692  -2.623  10.434
  509    HG3  GLN  58           HG1      GLN  58   4.755  -2.023   9.161
  510   HE21  GLN  58          HE21      GLN  58   6.133  -0.334   9.584
  511   HE22  GLN  58          HE22      GLN  58   6.486   0.202  11.191
  512    H    ALA  59           HN       ALA  59   2.097   0.620   6.886
  513    HA   ALA  59           HA       ALA  59  -0.547   1.356   7.532
  514    HB1  ALA  59           HB1      ALA  59   1.168   2.953   6.811
  515    HB2  ALA  59           HB2      ALA  59  -0.295   3.072   5.836
  516    HB3  ALA  59           HB3      ALA  59   1.128   2.254   5.193
  517    H    ILE  60           HN       ILE  60   0.840  -0.265   4.701
  518    HA   ILE  60           HA       ILE  60  -1.564  -0.447   3.221
  519    HB   ILE  60           HB       ILE  60   0.889  -2.219   3.141
  520   HG12  ILE  60          HG12      ILE  60   0.065   0.079   1.349
  521   HG13  ILE  60          HG11      ILE  60   1.277   0.186   2.622
  522   HG21  ILE  60          HG21      ILE  60  -1.336  -1.950   1.128
  523   HG22  ILE  60          HG22      ILE  60  -1.086  -3.327   2.201
  524   HG23  ILE  60          HG23      ILE  60   0.109  -2.948   0.959
  525   HD11  ILE  60          HD11      ILE  60   1.434  -1.543   0.160
  526   HD12  ILE  60          HD12      ILE  60   2.647  -1.464   1.437
  527   HD13  ILE  60          HD13      ILE  60   2.318  -0.044   0.445
  528    H    ASP  61           HN       ASP  61   0.004  -2.593   5.542
  529    HA   ASP  61           HA       ASP  61  -1.781  -4.755   5.424
  530    HB2  ASP  61           HB2      ASP  61   0.368  -4.890   6.607
  531    HB3  ASP  61           HB1      ASP  61  -0.186  -3.702   7.784
  532    H    GLU  62           HN       GLU  62  -1.909  -1.711   7.158
  533    HA   GLU  62           HA       GLU  62  -4.085  -2.261   8.841
  534    HB2  GLU  62           HB2      GLU  62  -2.600  -0.337   9.154
  535    HB3  GLU  62           HB1      GLU  62  -3.181   0.371   7.653
  536    HG2  GLU  62           HG2      GLU  62  -4.227   1.474   9.502
  537    HG3  GLU  62           HG1      GLU  62  -5.435   0.523   8.641
  538    H    ASN  63           HN       ASN  63  -3.948  -0.803   5.604
  539    HA   ASN  63           HA       ASN  63  -6.729  -0.432   5.297
  540    HB2  ASN  63           HB2      ASN  63  -4.490  -0.748   3.302
  541    HB3  ASN  63           HB1      ASN  63  -6.161  -0.537   2.794
  542   HD21  ASN  63          HD21      ASN  63  -5.634   1.414   1.779
  543   HD22  ASN  63          HD22      ASN  63  -5.328   2.854   2.688
  544    H    LYS  64           HN       LYS  64  -4.588  -3.077   4.344
  545    HA   LYS  64           HA       LYS  64  -6.426  -4.783   3.179
  546    HB2  LYS  64           HB2      LYS  64  -3.957  -5.134   3.292
  547    HB3  LYS  64           HB1      LYS  64  -4.139  -5.622   4.972
  548    HG2  LYS  64           HG2      LYS  64  -5.616  -7.468   4.220
  549    HG3  LYS  64           HG1      LYS  64  -5.265  -7.010   2.550
  550    HD2  LYS  64           HD2      LYS  64  -3.232  -7.867   4.610
  551    HD3  LYS  64           HD1      LYS  64  -3.854  -8.870   3.299
  552    HE2  LYS  64           HE2      LYS  64  -2.923  -7.303   1.663
  553    HE3  LYS  64           HE1      LYS  64  -2.306  -6.298   2.972
  554    HZ1  LYS  64           HZ1      LYS  64  -1.463  -9.051   2.273
  555    HZ2  LYS  64           HZ2      LYS  64  -1.002  -8.269   3.697
  556    HZ3  LYS  64           HZ3      LYS  64  -0.537  -7.636   2.203
  557    H    ASN  65           HN       ASN  65  -5.676  -4.369   6.611
  558    HA   ASN  65           HA       ASN  65  -7.447  -6.398   7.530
  559    HB2  ASN  65           HB2      ASN  65  -6.198  -4.030   8.925
  560    HB3  ASN  65           HB1      ASN  65  -7.202  -5.214   9.751
  561   HD21  ASN  65          HD21      ASN  65  -4.412  -4.543  10.158
  562   HD22  ASN  65          HD22      ASN  65  -3.516  -6.001   9.917
  563    H    ALA  66           HN       ALA  66  -7.757  -2.896   7.132
  564    HA   ALA  66           HA       ALA  66 -10.325  -2.580   8.193
  565    HB1  ALA  66           HB1      ALA  66 -10.447  -0.535   6.859
  566    HB2  ALA  66           HB2      ALA  66  -9.058  -1.064   5.910
  567    HB3  ALA  66           HB3      ALA  66  -8.866  -0.695   7.623
  568    H    LEU  67           HN       LEU  67  -9.271  -3.285   4.899
  569    HA   LEU  67           HA       LEU  67 -11.801  -3.432   3.693
  570    HB2  LEU  67           HB2      LEU  67  -9.690  -3.234   2.464
  571    HB3  LEU  67           HB1      LEU  67  -9.236  -4.847   2.974
  572    HG   LEU  67           HG       LEU  67 -11.056  -5.804   1.665
  573   HD11  LEU  67          HD11      LEU  67 -12.709  -4.072   1.810
  574   HD12  LEU  67          HD12      LEU  67 -12.329  -4.348   0.110
  575   HD13  LEU  67          HD13      LEU  67 -11.666  -2.944   0.945
  576   HD21  LEU  67          HD21      LEU  67 -10.208  -5.245  -0.567
  577   HD22  LEU  67          HD22      LEU  67  -8.903  -5.494   0.591
  578   HD23  LEU  67          HD23      LEU  67  -9.357  -3.859   0.112
  579    H    GLN  68           HN       GLN  68 -10.048  -5.675   5.655
  580    HA   GLN  68           HA       GLN  68 -11.506  -8.003   4.777
  581    HB2  GLN  68           HB2      GLN  68  -9.147  -8.039   5.710
  582    HB3  GLN  68           HB1      GLN  68  -9.855  -7.742   7.292
  583    HG2  GLN  68           HG2      GLN  68 -11.083  -9.818   7.173
  584    HG3  GLN  68           HG1      GLN  68 -10.498 -10.102   5.536
  585   HE21  GLN  68          HE21      GLN  68  -8.555  -8.804   8.146
  586   HE22  GLN  68          HE22      GLN  68  -7.503 -10.169   8.290
  587    H    LYS  69           HN       LYS  69 -11.870  -5.516   7.143
  588    HA   LYS  69           HA       LYS  69 -14.005  -6.936   8.526
  589    HB2  LYS  69           HB2      LYS  69 -12.371  -5.476   9.765
  590    HB3  LYS  69           HB1      LYS  69 -13.047  -4.088   8.924
  591    HG2  LYS  69           HG2      LYS  69 -15.228  -4.540   9.944
  592    HG3  LYS  69           HG1      LYS  69 -14.534  -5.914  10.804
  593    HD2  LYS  69           HD2      LYS  69 -12.959  -4.393  11.925
  594    HD3  LYS  69           HD1      LYS  69 -13.713  -3.027  11.100
  595    HE2  LYS  69           HE2      LYS  69 -15.088  -4.913  13.012
  596    HE3  LYS  69           HE1      LYS  69 -14.546  -3.280  13.390
  597    HZ1  LYS  69           HZ1      LYS  69 -16.587  -3.976  11.351
  598    HZ2  LYS  69           HZ2      LYS  69 -16.089  -2.415  11.761
  599    HZ3  LYS  69           HZ3      LYS  69 -16.915  -3.361  12.889
  600    H    LEU  70           HN       LEU  70 -13.527  -4.466   6.116
  601    HA   LEU  70           HA       LEU  70 -16.319  -3.732   5.980
  602    HB2  LEU  70           HB2      LEU  70 -14.019  -3.139   4.109
  603    HB3  LEU  70           HB1      LEU  70 -15.632  -2.471   3.954
  604    HG   LEU  70           HG       LEU  70 -13.745  -1.978   6.259
  605   HD11  LEU  70          HD11      LEU  70 -14.634  -0.182   4.006
  606   HD12  LEU  70          HD12      LEU  70 -13.026  -0.876   4.209
  607   HD13  LEU  70          HD13      LEU  70 -13.633   0.299   5.375
  608   HD21  LEU  70          HD21      LEU  70 -16.055  -1.942   6.992
  609   HD22  LEU  70          HD22      LEU  70 -16.482  -0.859   5.667
  610   HD23  LEU  70          HD23      LEU  70 -15.405  -0.304   6.948
  611    H    SER  71           HN       SER  71 -16.072  -6.438   5.819
  612    HA   SER  71           HA       SER  71 -17.032  -6.975   3.121
  613    HB2  SER  71           HB2      SER  71 -14.641  -7.600   3.093
  614    HB3  SER  71           HB1      SER  71 -14.893  -8.620   4.510
  615    HG   SER  71           HG       SER  71 -15.712 -10.125   3.288
  616    H    LYS  72           HN       LYS  72 -18.988  -7.871   3.368
  617    HA   LYS  72           HA       LYS  72 -19.383  -9.641   5.682
  618    HB2  LYS  72           HB2      LYS  72 -21.850  -9.069   5.426
  619    HB3  LYS  72           HB1      LYS  72 -20.815  -7.794   6.056
  620    HG2  LYS  72           HG2      LYS  72 -20.802  -6.687   3.886
  621    HG3  LYS  72           HG1      LYS  72 -21.759  -8.000   3.187
  622    HD2  LYS  72           HD2      LYS  72 -23.615  -7.474   4.665
  623    HD3  LYS  72           HD1      LYS  72 -22.657  -6.229   5.469
  624    HE2  LYS  72           HE2      LYS  72 -23.440  -6.208   2.555
  625    HE3  LYS  72           HE1      LYS  72 -24.258  -5.307   3.830
  626    HZ1  LYS  72           HZ1      LYS  72 -22.724  -3.876   2.707
  627    HZ2  LYS  72           HZ2      LYS  72 -21.450  -4.957   2.941
  628    HZ3  LYS  72           HZ3      LYS  72 -22.133  -4.164   4.266
  629    H    ALA  73           HN       ALA  73 -18.319 -11.076   3.980
  630    HA   ALA  73           HA       ALA  73 -19.745 -11.871   1.670
  631    HB1  ALA  73           HB1      ALA  73 -17.341 -12.213   1.923
  632    HB2  ALA  73           HB2      ALA  73 -18.172 -13.727   1.568
  633    HB3  ALA  73           HB3      ALA  73 -17.640 -13.378   3.212
  634    H    ASP  74           HN       ASP  74 -19.926 -12.831   5.002
  635    HA   ASP  74           HA       ASP  74 -21.297 -15.293   4.569
  636    HB2  ASP  74           HB2      ASP  74 -21.227 -13.528   7.031
  637    HB3  ASP  74           HB1      ASP  74 -21.837 -15.176   6.980
  638    H    GLU  75           HN       GLU  75 -22.208 -12.043   4.362
  639    HA   GLU  75           HA       GLU  75 -25.026 -12.506   4.864
  640    HB2  GLU  75           HB2      GLU  75 -23.459 -10.094   3.948
  641    HB3  GLU  75           HB1      GLU  75 -25.213 -10.104   4.064
  642    HG2  GLU  75           HG2      GLU  75 -23.367 -10.687   6.365
  643    HG3  GLU  75           HG1      GLU  75 -24.053  -9.100   6.016
  644    H    SER  76           HN       SER  76 -26.619 -12.536   3.304
  645    HA   SER  76           HA       SER  76 -25.783 -13.525   0.735
  646    HB2  SER  76           HB2      SER  76 -28.594 -12.966   1.704
  647    HB3  SER  76           HB1      SER  76 -28.113 -14.017   0.372
  648    HG   SER  76           HG       SER  76 -26.874 -15.184   2.082
  649    H    ALA  77           HN       ALA  77 -24.729 -11.259   0.470
  650    HA   ALA  77           HA       ALA  77 -26.561  -9.242  -0.533
  651    HB1  ALA  77           HB1      ALA  77 -24.638  -8.561   0.833
  652    HB2  ALA  77           HB2      ALA  77 -24.570  -7.856  -0.781
  653    HB3  ALA  77           HB3      ALA  77 -23.547  -9.233  -0.379
  654    HA   PRO  78           HA       PRO  78 -26.081 -11.101  -4.587
  655    HB2  PRO  78           HB2      PRO  78 -27.939  -9.612  -5.853
  656    HB3  PRO  78           HB1      PRO  78 -28.378 -10.912  -4.740
  657    HG2  PRO  78           HG2      PRO  78 -28.327  -7.960  -4.289
  658    HG3  PRO  78           HG1      PRO  78 -29.511  -9.160  -3.741
  659    HD2  PRO  78           HD2      PRO  78 -27.514  -8.141  -2.153
  660    HD3  PRO  78           HD1      PRO  78 -28.266  -9.726  -1.900
  661    H    VAL  79           HN       VAL  79 -23.981  -9.579  -4.047
  662    HA   VAL  79           HA       VAL  79 -23.725  -7.896  -6.435
  663    HB   VAL  79           HB       VAL  79 -22.124  -6.440  -5.050
  664   HG11  VAL  79          HG11      VAL  79 -23.957  -5.014  -4.254
  665   HG12  VAL  79          HG12      VAL  79 -25.084  -6.351  -4.481
  666   HG13  VAL  79          HG13      VAL  79 -24.270  -5.640  -5.873
  667   HG21  VAL  79          HG21      VAL  79 -23.717  -7.650  -2.792
  668   HG22  VAL  79          HG22      VAL  79 -22.583  -6.306  -2.661
  669   HG23  VAL  79          HG23      VAL  79 -22.000  -7.913  -3.092
  670    H    ALA  80           HN       ALA  80 -22.868  -9.918  -7.242
  671    HA   ALA  80           HA       ALA  80 -20.678 -11.263  -6.134
  672    HB1  ALA  80           HB1      ALA  80 -21.564 -11.184  -9.007
  673    HB2  ALA  80           HB2      ALA  80 -22.174 -12.274  -7.762
  674    HB3  ALA  80           HB3      ALA  80 -20.493 -12.383  -8.284
  675    H    ASN  81           HN       ASN  81 -20.823  -8.573  -8.396
  676    HA   ASN  81           HA       ASN  81 -18.080  -8.716  -9.159
  677    HB2  ASN  81           HB2      ASN  81 -19.896  -7.507 -10.456
  678    HB3  ASN  81           HB1      ASN  81 -19.808  -6.239  -9.239
  679   HD21  ASN  81          HD21      ASN  81 -17.129  -8.115 -10.541
  680   HD22  ASN  81          HD22      ASN  81 -16.325  -6.777 -11.287
  681    H    TYR  82           HN       TYR  82 -19.817  -7.156  -6.564
  682    HA   TYR  82           HA       TYR  82 -17.754  -5.510  -5.582
  683    HB2  TYR  82           HB2      TYR  82 -20.092  -5.359  -4.786
  684    HB3  TYR  82           HB1      TYR  82 -19.954  -6.951  -4.056
  685    HD1  TYR  82           HD1      TYR  82 -18.295  -7.234  -2.104
  686    HD2  TYR  82           HD2      TYR  82 -19.503  -3.427  -3.587
  687    HE1  TYR  82           HE1      TYR  82 -17.611  -6.198   0.009
  688    HE2  TYR  82           HE2      TYR  82 -18.803  -2.388  -1.475
  689    HH   TYR  82           HH       TYR  82 -16.887  -3.965   0.819
  690    H    ASN  83           HN       ASN  83 -18.543  -8.911  -5.057
  691    HA   ASN  83           HA       ASN  83 -16.546  -9.350  -3.074
  692    HB2  ASN  83           HB2      ASN  83 -18.155 -11.231  -4.798
  693    HB3  ASN  83           HB1      ASN  83 -16.972 -11.799  -3.627
  694   HD21  ASN  83          HD21      ASN  83 -19.875 -12.185  -3.732
  695   HD22  ASN  83          HD22      ASN  83 -20.480 -11.583  -2.226
  696    H    GLN  84           HN       GLN  84 -16.660  -9.663  -6.568
  697    HA   GLN  84           HA       GLN  84 -14.176 -11.013  -6.830
  698    HB2  GLN  84           HB2      GLN  84 -15.967 -10.994  -8.567
  699    HB3  GLN  84           HB1      GLN  84 -15.591  -9.307  -8.882
  700    HG2  GLN  84           HG2      GLN  84 -14.529 -10.633 -10.548
  701    HG3  GLN  84           HG1      GLN  84 -13.286  -9.984  -9.483
  702   HE21  GLN  84          HE21      GLN  84 -13.220 -12.292 -11.250
  703   HE22  GLN  84          HE22      GLN  84 -12.824 -13.651 -10.260
  704    H    ARG  85           HN       ARG  85 -15.112  -7.587  -7.253
  705    HA   ARG  85           HA       ARG  85 -12.492  -6.700  -7.855
  706    HB2  ARG  85           HB2      ARG  85 -14.404  -5.289  -8.403
  707    HB3  ARG  85           HB1      ARG  85 -14.816  -5.145  -6.697
  708    HG2  ARG  85           HG2      ARG  85 -12.521  -4.130  -6.371
  709    HG3  ARG  85           HG1      ARG  85 -12.424  -4.029  -8.125
  710    HD2  ARG  85           HD2      ARG  85 -14.091  -2.425  -8.249
  711    HD3  ARG  85           HD1      ARG  85 -14.765  -2.862  -6.675
  712    HE   ARG  85           HE       ARG  85 -12.199  -1.976  -6.190
  713   HH11  ARG  85          HH11      ARG  85 -15.068  -0.587  -7.626
  714   HH12  ARG  85          HH12      ARG  85 -14.737   1.007  -7.028
  715   HH21  ARG  85          HH21      ARG  85 -11.758   0.086  -5.405
  716   HH22  ARG  85          HH22      ARG  85 -12.862   1.390  -5.756
  717    H    LYS  86           HN       LYS  86 -14.150  -7.350  -4.884
  718    HA   LYS  86           HA       LYS  86 -12.635  -5.905  -3.059
  719    HB2  LYS  86           HB2      LYS  86 -14.653  -7.030  -2.407
  720    HB3  LYS  86           HB1      LYS  86 -13.991  -8.597  -2.851
  721    HG2  LYS  86           HG2      LYS  86 -12.281  -8.268  -1.015
  722    HG3  LYS  86           HG1      LYS  86 -13.231  -6.866  -0.500
  723    HD2  LYS  86           HD2      LYS  86 -14.092  -9.760  -0.591
  724    HD3  LYS  86           HD1      LYS  86 -13.936  -8.720   0.824
  725    HE2  LYS  86           HE2      LYS  86 -15.825  -7.399   0.150
  726    HE3  LYS  86           HE1      LYS  86 -15.910  -8.217  -1.409
  727    HZ1  LYS  86           HZ1      LYS  86 -16.442 -10.276  -0.229
  728    HZ2  LYS  86           HZ2      LYS  86 -17.579  -9.067   0.088
  729    HZ3  LYS  86           HZ3      LYS  86 -16.405  -9.447   1.249
  730    H    GLU  87           HN       GLU  87 -12.058  -9.053  -4.526
  731    HA   GLU  87           HA       GLU  87  -9.669  -9.604  -3.073
  732    HB2  GLU  87           HB2      GLU  87 -10.813 -10.794  -5.598
  733    HB3  GLU  87           HB1      GLU  87  -9.358 -11.389  -4.808
  734    HG2  GLU  87           HG2      GLU  87 -12.145 -11.339  -3.674
  735    HG3  GLU  87           HG1      GLU  87 -11.209 -12.756  -4.152
  736    H    GLU  88           HN       GLU  88 -10.417  -8.046  -6.119
  737    HA   GLU  88           HA       GLU  88  -7.770  -7.870  -7.093
  738    HB2  GLU  88           HB2      GLU  88 -10.192  -6.147  -7.617
  739    HB3  GLU  88           HB1      GLU  88  -8.666  -5.966  -8.470
  740    HG2  GLU  88           HG2      GLU  88 -10.437  -8.399  -8.472
  741    HG3  GLU  88           HG1      GLU  88 -10.223  -7.250  -9.792
  742    H    GLU  89           HN       GLU  89  -9.697  -5.772  -4.991
  743    HA   GLU  89           HA       GLU  89  -7.775  -3.713  -4.745
  744    HB2  GLU  89           HB2      GLU  89  -9.810  -4.565  -2.675
  745    HB3  GLU  89           HB1      GLU  89  -8.996  -3.012  -2.761
  746    HG2  GLU  89           HG2      GLU  89 -10.903  -4.085  -4.828
  747    HG3  GLU  89           HG1      GLU  89 -11.310  -2.922  -3.570
  748    H    HIS  90           HN       HIS  90  -8.300  -6.735  -2.987
  749    HA   HIS  90           HA       HIS  90  -6.253  -6.513  -1.081
  750    HB2  HIS  90           HB2      HIS  90  -7.528  -8.844  -2.475
  751    HB3  HIS  90           HB1      HIS  90  -6.051  -9.115  -1.569
  752    HD1  HIS  90           HD1      HIS  90  -6.257  -9.418   0.888
  753    HD2  HIS  90           HD2      HIS  90  -9.740  -7.947  -0.828
  754    HE1  HIS  90           HE1      HIS  90  -8.004  -9.548   2.689
  755    HE2  HIS  90           HE2      HIS  90 -10.149  -8.926   1.525
  756    H    THR  91           HN       THR  91  -6.203  -7.603  -4.432
  757    HA   THR  91           HA       THR  91  -3.531  -8.433  -4.537
  758    HB   THR  91           HB       THR  91  -5.205  -7.374  -6.822
  759    HG1  THR  91           HG1      THR  91  -6.286  -9.073  -5.741
  760   HG21  THR  91          HG21      THR  91  -2.890  -9.316  -6.795
  761   HG22  THR  91          HG22      THR  91  -2.816  -7.644  -7.352
  762   HG23  THR  91          HG23      THR  91  -3.814  -8.817  -8.212
  763    H    LEU  92           HN       LEU  92  -5.033  -5.308  -5.372
  764    HA   LEU  92           HA       LEU  92  -2.782  -3.963  -6.240
  765    HB2  LEU  92           HB2      LEU  92  -4.997  -3.011  -6.425
  766    HB3  LEU  92           HB1      LEU  92  -5.138  -2.902  -4.681
  767    HG   LEU  92           HG       LEU  92  -3.276  -1.252  -4.673
  768   HD11  LEU  92          HD11      LEU  92  -2.601  -0.217  -6.777
  769   HD12  LEU  92          HD12      LEU  92  -3.576  -1.384  -7.668
  770   HD13  LEU  92          HD13      LEU  92  -2.179  -1.929  -6.741
  771   HD21  LEU  92          HD21      LEU  92  -5.634  -0.544  -6.410
  772   HD22  LEU  92          HD22      LEU  92  -4.593   0.600  -5.563
  773   HD23  LEU  92          HD23      LEU  92  -5.600  -0.522  -4.647
  774    H    LEU  93           HN       LEU  93  -4.003  -4.151  -2.887
  775    HA   LEU  93           HA       LEU  93  -1.934  -2.574  -1.784
  776    HB2  LEU  93           HB2      LEU  93  -3.639  -4.693  -0.462
  777    HB3  LEU  93           HB1      LEU  93  -2.630  -3.539   0.387
  778    HG   LEU  93           HG       LEU  93  -4.993  -2.825  -1.352
  779   HD11  LEU  93          HD11      LEU  93  -6.096  -2.247   0.748
  780   HD12  LEU  93          HD12      LEU  93  -4.702  -2.841   1.647
  781   HD13  LEU  93          HD13      LEU  93  -5.676  -3.958   0.693
  782   HD21  LEU  93          HD21      LEU  93  -3.298  -1.081  -1.341
  783   HD22  LEU  93          HD22      LEU  93  -3.244  -1.123   0.422
  784   HD23  LEU  93          HD23      LEU  93  -4.706  -0.581  -0.404
  785    H    ASP  94           HN       ASP  94  -2.292  -6.015  -2.313
  786    HA   ASP  94           HA       ASP  94   0.108  -6.825  -1.041
  787    HB2  ASP  94           HB2      ASP  94  -1.731  -8.394  -1.526
  788    HB3  ASP  94           HB1      ASP  94  -1.454  -8.182  -3.252
  789    H    LYS  95           HN       LYS  95  -0.545  -5.318  -4.049
  790    HA   LYS  95           HA       LYS  95   1.756  -6.387  -5.451
  791    HB2  LYS  95           HB2      LYS  95  -0.267  -5.840  -6.735
  792    HB3  LYS  95           HB1      LYS  95  -0.186  -4.175  -6.175
  793    HG2  LYS  95           HG2      LYS  95   1.881  -3.830  -7.399
  794    HG3  LYS  95           HG1      LYS  95   1.885  -5.522  -7.908
  795    HD2  LYS  95           HD2      LYS  95  -0.205  -5.176  -9.115
  796    HD3  LYS  95           HD1      LYS  95  -0.249  -3.496  -8.582
  797    HE2  LYS  95           HE2      LYS  95   0.575  -3.771 -10.900
  798    HE3  LYS  95           HE1      LYS  95   1.742  -2.995  -9.833
  799    HZ1  LYS  95           HZ1      LYS  95   2.746  -4.682 -11.276
  800    HZ2  LYS  95           HZ2      LYS  95   1.775  -5.874 -10.571
  801    HZ3  LYS  95           HZ3      LYS  95   2.931  -5.062  -9.642
  802    H    LEU  96           HN       LEU  96   0.682  -3.427  -3.881
  803    HA   LEU  96           HA       LEU  96   2.985  -1.874  -4.411
  804    HB2  LEU  96           HB2      LEU  96   1.028  -1.671  -2.117
  805    HB3  LEU  96           HB1      LEU  96   2.172  -0.435  -2.599
  806    HG   LEU  96           HG       LEU  96  -0.114  -1.419  -4.309
  807   HD11  LEU  96          HD11      LEU  96  -1.109   0.784  -3.823
  808   HD12  LEU  96          HD12      LEU  96   0.177   1.080  -2.652
  809   HD13  LEU  96          HD13      LEU  96  -0.969  -0.235  -2.391
  810   HD21  LEU  96          HD21      LEU  96   0.411   0.528  -5.695
  811   HD22  LEU  96          HD22      LEU  96   1.767  -0.597  -5.618
  812   HD23  LEU  96          HD23      LEU  96   1.797   0.887  -4.664
  813    H    THR  97           HN       THR  97   2.104  -4.175  -1.906
  814    HA   THR  97           HA       THR  97   4.241  -3.594  -0.137
  815    HB   THR  97           HB       THR  97   2.678  -6.168  -0.480
  816    HG1  THR  97           HG1      THR  97   1.281  -4.453   0.028
  817   HG21  THR  97          HG21      THR  97   4.742  -6.476   0.790
  818   HG22  THR  97          HG22      THR  97   3.332  -6.611   1.844
  819   HG23  THR  97          HG23      THR  97   4.300  -5.136   1.849
  820    H    GLN  98           HN       GLN  98   3.765  -5.801  -2.840
  821    HA   GLN  98           HA       GLN  98   6.126  -7.285  -2.614
  822    HB2  GLN  98           HB2      GLN  98   4.235  -7.928  -4.037
  823    HB3  GLN  98           HB1      GLN  98   4.546  -6.554  -5.085
  824    HG2  GLN  98           HG2      GLN  98   6.751  -7.510  -5.627
  825    HG3  GLN  98           HG1      GLN  98   6.351  -8.918  -4.644
  826   HE21  GLN  98          HE21      GLN  98   6.504 -10.306  -6.398
  827   HE22  GLN  98          HE22      GLN  98   5.310 -10.352  -7.646
  828    H    GLN  99           HN       GLN  99   5.420  -4.282  -4.372
  829    HA   GLN  99           HA       GLN  99   7.899  -4.034  -5.661
  830    HB2  GLN  99           HB2      GLN  99   6.003  -1.857  -4.766
  831    HB3  GLN  99           HB1      GLN  99   7.338  -1.633  -5.887
  832    HG2  GLN  99           HG2      GLN  99   4.860  -3.281  -6.295
  833    HG3  GLN  99           HG1      GLN  99   5.338  -1.817  -7.154
  834   HE21  GLN  99          HE21      GLN  99   7.006  -1.933  -8.685
  835   HE22  GLN  99          HE22      GLN  99   7.484  -3.440  -9.384
  836    H    LEU 100           HN       LEU 100   6.794  -2.896  -2.511
  837    HA   LEU 100           HA       LEU 100   9.216  -1.548  -1.852
  838    HB2  LEU 100           HB2      LEU 100   7.005  -2.621  -0.099
  839    HB3  LEU 100           HB1      LEU 100   8.311  -1.601   0.468
  840    HG   LEU 100           HG       LEU 100   6.207  -0.802  -1.545
  841   HD11  LEU 100          HD11      LEU 100   5.316  -1.006   0.707
  842   HD12  LEU 100          HD12      LEU 100   5.424   0.689   0.230
  843   HD13  LEU 100          HD13      LEU 100   6.620   0.004   1.329
  844   HD21  LEU 100          HD21      LEU 100   8.486   0.745  -0.324
  845   HD22  LEU 100          HD22      LEU 100   7.175   1.456  -1.263
  846   HD23  LEU 100          HD23      LEU 100   8.287   0.317  -2.022
  847    H    GLN 101           HN       GLN 101   7.995  -4.784  -1.422
  848    HA   GLN 101           HA       GLN 101   9.877  -5.714   0.456
  849    HB2  GLN 101           HB2      GLN 101   7.728  -6.817   0.019
  850    HB3  GLN 101           HB1      GLN 101   8.255  -7.229  -1.601
  851    HG2  GLN 101           HG2      GLN 101   9.766  -8.201   0.792
  852    HG3  GLN 101           HG1      GLN 101   8.308  -9.023   0.248
  853   HE21  GLN 101          HE21      GLN 101  11.033 -10.009   0.347
  854   HE22  GLN 101          HE22      GLN 101  11.451 -10.461  -1.269
  855    H    GLY 102           HN       GLY 102  10.008  -5.295  -2.996
  856    HA2  GLY 102           HA2      GLY 102  12.210  -7.125  -3.411
  857    HA3  GLY 102           HA1      GLY 102  11.566  -5.978  -4.583
  858    H    LEU 103           HN       LEU 103  11.693  -3.685  -3.028
  859    HA   LEU 103           HA       LEU 103  14.394  -2.907  -3.405
  860    HB2  LEU 103           HB2      LEU 103  12.493  -1.380  -3.711
  861    HB3  LEU 103           HB1      LEU 103  12.109  -1.506  -2.006
  862    HG   LEU 103           HG       LEU 103  14.275  -0.439  -1.460
  863   HD11  LEU 103          HD11      LEU 103  15.553   0.635  -3.249
  864   HD12  LEU 103          HD12      LEU 103  14.499  -0.112  -4.449
  865   HD13  LEU 103          HD13      LEU 103  15.529  -1.118  -3.430
  866   HD21  LEU 103          HD21      LEU 103  13.643   1.799  -2.151
  867   HD22  LEU 103          HD22      LEU 103  12.217   0.883  -1.665
  868   HD23  LEU 103          HD23      LEU 103  12.561   1.139  -3.377
  869    H    ALA 104           HN       ALA 104  12.397  -3.579  -0.565
  870    HA   ALA 104           HA       ALA 104  14.086  -2.654   1.424
  871    HB1  ALA 104           HB1      ALA 104  12.887  -4.181   2.931
  872    HB2  ALA 104           HB2      ALA 104  12.169  -4.976   1.528
  873    HB3  ALA 104           HB3      ALA 104  11.799  -3.285   1.872
  874    H    VAL 105           HN       VAL 105  13.944  -5.907  -0.010
  875    HA   VAL 105           HA       VAL 105  15.977  -7.013   1.604
  876    HB   VAL 105           HB       VAL 105  15.022  -7.840  -1.138
  877   HG11  VAL 105          HG11      VAL 105  16.065 -10.004  -0.665
  878   HG12  VAL 105          HG12      VAL 105  16.754  -9.342   0.818
  879   HG13  VAL 105          HG13      VAL 105  17.257  -8.707  -0.750
  880   HG21  VAL 105          HG21      VAL 105  14.356  -8.836   1.624
  881   HG22  VAL 105          HG22      VAL 105  13.826  -9.591   0.122
  882   HG23  VAL 105          HG23      VAL 105  13.284  -7.963   0.531
  883    H    THR 106           HN       THR 106  16.029  -5.373  -1.510
  884    HA   THR 106           HA       THR 106  18.741  -5.827  -2.099
  885    HB   THR 106           HB       THR 106  16.950  -3.563  -3.000
  886    HG1  THR 106           HG1      THR 106  16.000  -5.284  -3.872
  887   HG21  THR 106          HG21      THR 106  18.466  -3.365  -4.905
  888   HG22  THR 106          HG22      THR 106  19.501  -4.620  -4.225
  889   HG23  THR 106          HG23      THR 106  19.324  -3.076  -3.391
  890    H    ILE 107           HN       ILE 107  17.110  -3.331  -0.212
  891    HA   ILE 107           HA       ILE 107  19.481  -1.733   0.101
  892    HB   ILE 107           HB       ILE 107  16.898  -1.611   1.660
  893   HG12  ILE 107          HG12      ILE 107  17.803   0.054  -0.702
  894   HG13  ILE 107          HG11      ILE 107  16.604  -1.234  -0.781
  895   HG21  ILE 107          HG21      ILE 107  17.630   0.700   2.180
  896   HG22  ILE 107          HG22      ILE 107  19.182   0.340   1.426
  897   HG23  ILE 107          HG23      ILE 107  18.679  -0.541   2.867
  898   HD11  ILE 107          HD11      ILE 107  16.358   1.278   0.855
  899   HD12  ILE 107          HD12      ILE 107  15.146   0.005   0.705
  900   HD13  ILE 107          HD13      ILE 107  15.581   0.981  -0.700
  901    H    SER 108           HN       SER 108  18.104  -4.452   1.767
  902    HA   SER 108           HA       SER 108  19.461  -3.781   4.257
  903    HB2  SER 108           HB2      SER 108  18.387  -5.981   5.028
  904    HB3  SER 108           HB1      SER 108  17.300  -4.641   4.674
  905    HG   SER 108           HG       SER 108  16.645  -5.613   2.856
  906    H    ARG 109           HN       ARG 109  19.832  -5.662   1.432
  907    HA   ARG 109           HA       ARG 109  22.234  -6.913   2.560
  908    HB2  ARG 109           HB2      ARG 109  20.664  -8.526   1.586
  909    HB3  ARG 109           HB1      ARG 109  20.673  -7.638   0.068
  910    HG2  ARG 109           HG2      ARG 109  23.008  -8.165  -0.267
  911    HG3  ARG 109           HG1      ARG 109  23.070  -8.984   1.293
  912    HD2  ARG 109           HD2      ARG 109  21.307  -9.793  -1.015
  913    HD3  ARG 109           HD1      ARG 109  22.855 -10.538  -0.621
  914    HE   ARG 109           HE       ARG 109  20.905 -10.519   1.522
  915   HH11  ARG 109          HH11      ARG 109  22.255 -12.285  -1.181
  916   HH12  ARG 109          HH12      ARG 109  21.724 -13.830  -0.602
  917   HH21  ARG 109          HH21      ARG 109  20.191 -12.546   2.283
  918   HH22  ARG 109          HH22      ARG 109  20.543 -13.979   1.371
  919    H    GLU 110           HN       GLU 110  23.642  -5.233   2.382
  920    HA   GLU 110           HA       GLU 110  23.780  -3.589   0.030
  921    HB2  GLU 110           HB2      GLU 110  25.449  -3.740   2.539
  922    HB3  GLU 110           HB1      GLU 110  25.764  -2.590   1.245
  923    HG2  GLU 110           HG2      GLU 110  23.688  -1.503   1.588
  924    HG3  GLU 110           HG1      GLU 110  23.120  -2.782   2.658
  925    H    ASN 111           HN       ASN 111  24.110  -5.952  -0.994
  926    HA   ASN 111           HA       ASN 111  26.983  -6.123  -1.619
  927    HB2  ASN 111           HB2      ASN 111  25.017  -8.424  -1.428
  928    HB3  ASN 111           HB1      ASN 111  26.692  -8.562  -1.952
  929   HD21  ASN 111          HD21      ASN 111  28.340  -8.385  -0.427
  930   HD22  ASN 111          HD22      ASN 111  28.034  -8.524   1.268
  931    H    ILE 112           HN       ILE 112  25.331  -4.462  -2.981
  932    HA   ILE 112           HA       ILE 112  23.838  -5.610  -5.078
  933    HB   ILE 112           HB       ILE 112  25.068  -2.854  -4.980
  934   HG12  ILE 112          HG12      ILE 112  22.285  -3.714  -4.168
  935   HG13  ILE 112          HG11      ILE 112  23.586  -3.420  -3.029
  936   HG21  ILE 112          HG21      ILE 112  23.291  -2.260  -6.550
  937   HG22  ILE 112          HG22      ILE 112  22.766  -3.943  -6.583
  938   HG23  ILE 112          HG23      ILE 112  24.355  -3.502  -7.209
  939   HD11  ILE 112          HD11      ILE 112  22.387  -1.397  -4.904
  940   HD12  ILE 112          HD12      ILE 112  23.700  -1.095  -3.766
  941   HD13  ILE 112          HD13      ILE 112  22.095  -1.516  -3.168
  942    H    THR 113           HN       THR 113  24.623  -6.793  -6.635
  943    HA   THR 113           HA       THR 113  25.944  -7.719  -8.211
  944    HB   THR 113           HB       THR 113  27.198  -6.220  -9.735
  945    HG1  THR 113           HG1      THR 113  26.870  -4.457  -7.665
  946   HG21  THR 113          HG21      THR 113  25.244  -5.010 -10.590
  947   HG22  THR 113          HG22      THR 113  24.392  -5.340  -9.083
  948   HG23  THR 113          HG23      THR 113  24.853  -6.671 -10.145
  949    H    GLU 114           HN       GLU 114  27.057  -7.276  -5.444
  950    HA   GLU 114           HA       GLU 114  29.909  -7.430  -6.081
  951    HB2  GLU 114           HB2      GLU 114  28.518  -7.145  -3.413
  952    HB3  GLU 114           HB1      GLU 114  30.255  -7.248  -3.634
  953    HG2  GLU 114           HG2      GLU 114  30.120  -5.195  -5.047
  954    HG3  GLU 114           HG1      GLU 114  28.425  -5.064  -4.582
  955    H    VAL 115           HN       VAL 115  30.968  -9.291  -6.006
  956    HA   VAL 115           HA       VAL 115  29.364 -11.651  -5.353
  957    HB   VAL 115           HB       VAL 115  31.053 -12.869  -6.810
  958   HG11  VAL 115          HG11      VAL 115  28.770 -12.340  -7.508
  959   HG12  VAL 115          HG12      VAL 115  29.896 -12.220  -8.859
  960   HG13  VAL 115          HG13      VAL 115  29.306 -10.757  -8.071
  961   HG21  VAL 115          HG21      VAL 115  32.768 -11.091  -6.799
  962   HG22  VAL 115          HG22      VAL 115  31.674 -10.058  -7.717
  963   HG23  VAL 115          HG23      VAL 115  32.283 -11.550  -8.429
  964    H    GLY 116           HN       GLY 116  30.472 -10.456  -3.197
  965    HA2  GLY 116           HA2      GLY 116  32.908 -11.879  -2.483
  966    HA3  GLY 116           HA1      GLY 116  31.999 -10.777  -1.454
  967    H    ALA 117           HN       ALA 117  31.900 -13.981  -2.917
  968    HA   ALA 117           HA       ALA 117  30.857 -15.928  -2.361
  969    HB1  ALA 117           HB1      ALA 117  32.535 -15.820  -0.597
  970    HB2  ALA 117           HB2      ALA 117  31.063 -16.614  -0.037
  971    HB3  ALA 117           HB3      ALA 117  31.401 -14.949   0.434
  972    HA   PRO 118           HA       PRO 118  26.736 -14.234  -1.133
  973    HB2  PRO 118           HB2      PRO 118  25.631 -13.618  -3.496
  974    HB3  PRO 118           HB1      PRO 118  26.699 -12.491  -2.655
  975    HG2  PRO 118           HG2      PRO 118  27.212 -14.136  -5.059
  976    HG3  PRO 118           HG1      PRO 118  27.939 -12.599  -4.570
  977    HD2  PRO 118           HD2      PRO 118  29.018 -15.226  -4.250
  978    HD3  PRO 118           HD1      PRO 118  29.714 -13.697  -3.688
  979    H    THR 119           HN       THR 119  25.878 -16.173  -0.542
  980    HA   THR 119           HA       THR 119  25.040 -17.989  -2.704
  981    HB   THR 119           HB       THR 119  25.808 -18.838   0.100
  982    HG1  THR 119           HG1      THR 119  27.290 -19.225  -2.308
  983   HG21  THR 119          HG21      THR 119  25.279 -20.437  -2.411
  984   HG22  THR 119          HG22      THR 119  24.205 -20.322  -1.018
  985   HG23  THR 119          HG23      THR 119  25.781 -21.097  -0.855
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1 -41.474  14.611  17.416
    2    H2   GLY   1           HT2      GLY   1 -42.943  13.844  17.750
    3    H3   GLY   1           HT3      GLY   1 -42.712  14.626  16.269
    4    HA2  GLY   1           HA1      GLY   1 -41.220  12.237  17.189
    5    HA3  GLY   1           HA2      GLY   1 -42.543  12.224  16.031
    6    HA   PRO   2           HA       PRO   2 -38.368  13.250  13.973
    7    HB2  PRO   2           HB2      PRO   2 -37.416  10.810  13.330
    8    HB3  PRO   2           HB1      PRO   2 -37.034  11.590  14.867
    9    HG2  PRO   2           HG2      PRO   2 -39.049   9.463  14.269
   10    HG3  PRO   2           HG1      PRO   2 -37.945   9.605  15.649
   11    HD2  PRO   2           HD2      PRO   2 -40.583  10.303  15.750
   12    HD3  PRO   2           HD1      PRO   2 -39.335  11.046  16.767
   13    H    MET   3           HN       MET   3 -38.096  13.208  11.713
   14    HA   MET   3           HA       MET   3 -40.442  12.229  10.265
   15    HB2  MET   3           HB2      MET   3 -39.890  14.595   9.994
   16    HB3  MET   3           HB1      MET   3 -38.275  14.171   9.442
   17    HG2  MET   3           HG2      MET   3 -39.214  13.085   7.480
   18    HG3  MET   3           HG1      MET   3 -40.842  13.467   8.037
   19    HE1  MET   3           HE1      MET   3 -40.451  16.434   9.201
   20    HE2  MET   3           HE2      MET   3 -41.812  15.907   8.212
   21    HE3  MET   3           HE3      MET   3 -40.919  17.365   7.778
   22    H    ALA   4           HN       ALA   4 -40.297  10.349   9.265
   23    HA   ALA   4           HA       ALA   4 -37.734   9.157   8.681
   24    HB1  ALA   4           HB1      ALA   4 -40.522   8.150   8.124
   25    HB2  ALA   4           HB2      ALA   4 -39.558   7.787   9.556
   26    HB3  ALA   4           HB3      ALA   4 -39.032   7.217   7.973
   27    H    MET   5           HN       MET   5 -36.721  10.121   7.008
   28    HA   MET   5           HA       MET   5 -38.101  10.025   4.417
   29    HB2  MET   5           HB2      MET   5 -38.089  12.368   5.219
   30    HB3  MET   5           HB1      MET   5 -36.335  12.305   5.330
   31    HG2  MET   5           HG2      MET   5 -36.209  11.899   2.915
   32    HG3  MET   5           HG1      MET   5 -37.965  12.011   2.818
   33    HE1  MET   5           HE1      MET   5 -38.603  14.400   4.851
   34    HE2  MET   5           HE2      MET   5 -39.338  14.222   3.258
   35    HE3  MET   5           HE3      MET   5 -38.612  15.759   3.727
   36    H    LEU   6           HN       LEU   6 -36.960   8.044   4.176
   37    HA   LEU   6           HA       LEU   6 -34.069   8.086   4.067
   38    HB2  LEU   6           HB2      LEU   6 -35.962   5.913   3.153
   39    HB3  LEU   6           HB1      LEU   6 -34.248   5.744   3.479
   40    HG   LEU   6           HG       LEU   6 -36.385   6.324   5.533
   41   HD11  LEU   6          HD11      LEU   6 -36.477   4.042   4.707
   42   HD12  LEU   6          HD12      LEU   6 -35.863   4.081   6.359
   43   HD13  LEU   6          HD13      LEU   6 -34.752   3.847   5.011
   44   HD21  LEU   6          HD21      LEU   6 -34.602   6.025   7.176
   45   HD22  LEU   6          HD22      LEU   6 -34.268   7.388   6.110
   46   HD23  LEU   6          HD23      LEU   6 -33.425   5.858   5.876
   47    H    ALA   7           HN       ALA   7 -33.768   9.698   2.468
   48    HA   ALA   7           HA       ALA   7 -34.985   9.389  -0.125
   49    HB1  ALA   7           HB1      ALA   7 -32.959  11.402   0.825
   50    HB2  ALA   7           HB2      ALA   7 -34.711  11.604   0.858
   51    HB3  ALA   7           HB3      ALA   7 -33.867  11.471  -0.685
   52    H    ARG   8           HN       ARG   8 -33.629   7.150   0.180
   53    HA   ARG   8           HA       ARG   8 -32.160   5.752  -0.838
   54    HB2  ARG   8           HB2      ARG   8 -32.050   7.986  -2.868
   55    HB3  ARG   8           HB1      ARG   8 -31.483   6.342  -3.134
   56    HG2  ARG   8           HG2      ARG   8 -33.718   5.483  -2.899
   57    HG3  ARG   8           HG1      ARG   8 -34.324   7.085  -2.473
   58    HD2  ARG   8           HD2      ARG   8 -33.647   7.904  -4.688
   59    HD3  ARG   8           HD1      ARG   8 -33.101   6.282  -5.109
   60    HE   ARG   8           HE       ARG   8 -35.553   5.680  -4.597
   61   HH11  ARG   8          HH11      ARG   8 -34.469   8.672  -6.057
   62   HH12  ARG   8          HH12      ARG   8 -35.935   8.915  -6.951
   63   HH21  ARG   8          HH21      ARG   8 -37.489   6.001  -5.770
   64   HH22  ARG   8          HH22      ARG   8 -37.650   7.399  -6.787
   65    H    ARG   9           HN       ARG   9 -30.747   6.290   1.055
   66    HA   ARG   9           HA       ARG   9 -28.319   7.707   0.238
   67    HB2  ARG   9           HB2      ARG   9 -29.276   6.783   2.946
   68    HB3  ARG   9           HB1      ARG   9 -27.673   7.444   2.662
   69    HG2  ARG   9           HG2      ARG   9 -28.653   9.549   1.933
   70    HG3  ARG   9           HG1      ARG   9 -30.271   8.886   2.170
   71    HD2  ARG   9           HD2      ARG   9 -28.174   9.297   4.297
   72    HD3  ARG   9           HD1      ARG   9 -29.631  10.264   4.068
   73    HE   ARG   9           HE       ARG   9 -30.379   7.583   4.372
   74   HH11  ARG   9          HH11      ARG   9 -29.017  10.189   6.277
   75   HH12  ARG   9          HH12      ARG   9 -29.635   9.575   7.777
   76   HH21  ARG   9          HH21      ARG   9 -31.180   6.777   6.330
   77   HH22  ARG   9          HH22      ARG   9 -30.867   7.629   7.811
   78    H    GLN  10           HN       GLN  10 -26.390   6.698   0.041
   79    HA   GLN  10           HA       GLN  10 -26.292   3.816   0.587
   80    HB2  GLN  10           HB2      GLN  10 -26.804   4.142  -1.813
   81    HB3  GLN  10           HB1      GLN  10 -25.358   5.129  -1.975
   82    HG2  GLN  10           HG2      GLN  10 -24.905   2.931  -2.810
   83    HG3  GLN  10           HG1      GLN  10 -23.990   3.182  -1.325
   84   HE21  GLN  10          HE21      GLN  10 -27.421   2.493  -1.467
   85   HE22  GLN  10          HE22      GLN  10 -27.329   0.925  -0.746
   86    H    ARG  11           HN       ARG  11 -24.488   3.227   1.613
   87    HA   ARG  11           HA       ARG  11 -22.244   5.115   1.653
   88    HB2  ARG  11           HB2      ARG  11 -23.112   4.594   3.861
   89    HB3  ARG  11           HB1      ARG  11 -22.962   2.870   3.547
   90    HG2  ARG  11           HG2      ARG  11 -20.526   3.133   3.382
   91    HG3  ARG  11           HG1      ARG  11 -20.703   4.845   3.770
   92    HD2  ARG  11           HD2      ARG  11 -21.601   4.321   5.930
   93    HD3  ARG  11           HD1      ARG  11 -21.653   2.603   5.537
   94    HE   ARG  11           HE       ARG  11 -19.028   3.808   5.405
   95   HH11  ARG  11          HH11      ARG  11 -21.385   2.165   7.396
   96   HH12  ARG  11          HH12      ARG  11 -20.206   1.516   8.490
   97   HH21  ARG  11          HH21      ARG  11 -17.459   2.965   6.859
   98   HH22  ARG  11          HH22      ARG  11 -17.972   1.983   8.195
   99    H    ASP  12           HN       ASP  12 -20.317   4.556   0.827
  100    HA   ASP  12           HA       ASP  12 -19.945   1.750   0.017
  101    HB2  ASP  12           HB2      ASP  12 -19.330   4.261  -1.550
  102    HB3  ASP  12           HB1      ASP  12 -18.581   2.714  -1.930
  103    HA   PRO  13           HA       PRO  13 -16.499   2.788   2.865
  104    HB2  PRO  13           HB2      PRO  13 -16.394  -0.175   2.914
  105    HB3  PRO  13           HB1      PRO  13 -16.428   0.968   4.260
  106    HG2  PRO  13           HG2      PRO  13 -18.571  -0.507   3.653
  107    HG3  PRO  13           HG1      PRO  13 -18.740   1.172   4.198
  108    HD2  PRO  13           HD2      PRO  13 -18.926   0.045   1.428
  109    HD3  PRO  13           HD1      PRO  13 -19.908   1.309   2.201
  110    H    LEU  14           HN       LEU  14 -16.736   0.543   0.176
  111    HA   LEU  14           HA       LEU  14 -13.984   0.124  -0.281
  112    HB2  LEU  14           HB2      LEU  14 -16.297   0.144  -2.223
  113    HB3  LEU  14           HB1      LEU  14 -14.685  -0.422  -2.611
  114    HG   LEU  14           HG       LEU  14 -16.459  -1.653  -0.497
  115   HD11  LEU  14          HD11      LEU  14 -16.790  -3.469  -2.083
  116   HD12  LEU  14          HD12      LEU  14 -15.857  -2.595  -3.295
  117   HD13  LEU  14          HD13      LEU  14 -17.400  -1.948  -2.733
  118   HD21  LEU  14          HD21      LEU  14 -14.151  -2.064  -0.006
  119   HD22  LEU  14          HD22      LEU  14 -13.819  -2.485  -1.686
  120   HD23  LEU  14          HD23      LEU  14 -14.835  -3.536  -0.699
  121    H    GLN  15           HN       GLN  15 -16.205   2.659  -1.299
  122    HA   GLN  15           HA       GLN  15 -14.447   3.920  -3.128
  123    HB2  GLN  15           HB2      GLN  15 -16.824   4.342  -3.250
  124    HB3  GLN  15           HB1      GLN  15 -16.845   4.962  -1.606
  125    HG2  GLN  15           HG2      GLN  15 -15.446   6.853  -2.324
  126    HG3  GLN  15           HG1      GLN  15 -15.495   6.241  -3.976
  127   HE21  GLN  15          HE21      GLN  15 -18.263   5.361  -3.741
  128   HE22  GLN  15          HE22      GLN  15 -19.228   6.793  -3.799
  129    H    ALA  16           HN       ALA  16 -15.154   4.458   0.303
  130    HA   ALA  16           HA       ALA  16 -13.392   6.649   0.638
  131    HB1  ALA  16           HB1      ALA  16 -15.181   6.139   2.224
  132    HB2  ALA  16           HB2      ALA  16 -13.613   6.213   3.026
  133    HB3  ALA  16           HB3      ALA  16 -14.354   4.649   2.679
  134    H    LEU  17           HN       LEU  17 -13.035   3.171   1.149
  135    HA   LEU  17           HA       LEU  17 -10.409   3.224   2.127
  136    HB2  LEU  17           HB2      LEU  17 -11.883   1.279   2.321
  137    HB3  LEU  17           HB1      LEU  17 -11.803   1.043   0.584
  138    HG   LEU  17           HG       LEU  17  -9.349   0.670   0.801
  139   HD11  LEU  17          HD11      LEU  17  -8.957   1.854   2.881
  140   HD12  LEU  17          HD12      LEU  17  -8.436   0.174   3.018
  141   HD13  LEU  17          HD13      LEU  17  -9.956   0.689   3.752
  142   HD21  LEU  17          HD21      LEU  17  -9.540  -1.581   1.674
  143   HD22  LEU  17          HD22      LEU  17 -10.934  -1.188   0.669
  144   HD23  LEU  17          HD23      LEU  17 -11.082  -1.177   2.426
  145    H    ARG  18           HN       ARG  18 -11.630   2.982  -1.203
  146    HA   ARG  18           HA       ARG  18  -9.185   2.489  -2.463
  147    HB2  ARG  18           HB2      ARG  18 -11.182   2.248  -3.745
  148    HB3  ARG  18           HB1      ARG  18 -11.663   3.911  -3.439
  149    HG2  ARG  18           HG2      ARG  18 -10.126   4.769  -4.947
  150    HG3  ARG  18           HG1      ARG  18  -9.132   3.314  -4.912
  151    HD2  ARG  18           HD2      ARG  18 -11.924   3.375  -6.032
  152    HD3  ARG  18           HD1      ARG  18 -10.488   3.678  -7.006
  153    HE   ARG  18           HE       ARG  18 -10.263   1.232  -5.565
  154   HH11  ARG  18          HH11      ARG  18 -11.771   2.660  -8.391
  155   HH12  ARG  18          HH12      ARG  18 -11.833   1.162  -9.266
  156   HH21  ARG  18          HH21      ARG  18 -10.336  -0.722  -6.705
  157   HH22  ARG  18          HH22      ARG  18 -11.033  -0.765  -8.306
  158    H    ARG  19           HN       ARG  19 -10.588   5.500  -1.314
  159    HA   ARG  19           HA       ARG  19  -8.637   7.226  -2.429
  160    HB2  ARG  19           HB2      ARG  19 -10.766   8.058  -1.530
  161    HB3  ARG  19           HB1      ARG  19 -10.287   7.554   0.086
  162    HG2  ARG  19           HG2      ARG  19  -8.400   9.136  -0.010
  163    HG3  ARG  19           HG1      ARG  19  -8.962   9.673  -1.595
  164    HD2  ARG  19           HD2      ARG  19 -11.091  10.358  -0.593
  165    HD3  ARG  19           HD1      ARG  19 -10.505   9.847   0.989
  166    HE   ARG  19           HE       ARG  19  -8.635  11.633   0.068
  167   HH11  ARG  19          HH11      ARG  19 -12.069  11.697   0.735
  168   HH12  ARG  19          HH12      ARG  19 -12.094  13.393   1.103
  169   HH21  ARG  19          HH21      ARG  19  -8.661  13.863   0.547
  170   HH22  ARG  19          HH22      ARG  19 -10.155  14.630   0.982
  171    H    ARG  20           HN       ARG  20  -8.898   5.542   0.672
  172    HA   ARG  20           HA       ARG  20  -6.505   6.542   1.786
  173    HB2  ARG  20           HB2      ARG  20  -8.346   5.445   3.076
  174    HB3  ARG  20           HB1      ARG  20  -7.866   3.904   2.388
  175    HG2  ARG  20           HG2      ARG  20  -6.997   4.160   4.642
  176    HG3  ARG  20           HG1      ARG  20  -5.678   4.098   3.472
  177    HD2  ARG  20           HD2      ARG  20  -5.516   6.537   3.531
  178    HD3  ARG  20           HD1      ARG  20  -6.831   6.599   4.702
  179    HE   ARG  20           HE       ARG  20  -4.870   4.961   5.794
  180   HH11  ARG  20          HH11      ARG  20  -5.146   8.270   4.689
  181   HH12  ARG  20          HH12      ARG  20  -4.049   8.896   5.887
  182   HH21  ARG  20          HH21      ARG  20  -3.387   5.772   7.349
  183   HH22  ARG  20          HH22      ARG  20  -3.027   7.468   7.383
  184    H    ASN  21           HN       ASN  21  -7.231   3.705  -0.197
  185    HA   ASN  21           HA       ASN  21  -4.628   2.605  -0.176
  186    HB2  ASN  21           HB2      ASN  21  -6.862   2.384  -2.205
  187    HB3  ASN  21           HB1      ASN  21  -5.334   1.529  -2.368
  188   HD21  ASN  21          HD21      ASN  21  -7.959   0.388  -2.129
  189   HD22  ASN  21          HD22      ASN  21  -7.929  -0.582  -0.695
  190    H    GLN  22           HN       GLN  22  -6.153   5.059  -2.202
  191    HA   GLN  22           HA       GLN  22  -4.022   5.303  -4.040
  192    HB2  GLN  22           HB2      GLN  22  -6.361   6.194  -4.372
  193    HB3  GLN  22           HB1      GLN  22  -5.944   7.499  -3.268
  194    HG2  GLN  22           HG2      GLN  22  -4.157   8.208  -4.754
  195    HG3  GLN  22           HG1      GLN  22  -4.526   6.880  -5.851
  196   HE21  GLN  22          HE21      GLN  22  -4.511   9.711  -6.404
  197   HE22  GLN  22          HE22      GLN  22  -6.101  10.114  -6.944
  198    H    GLU  23           HN       GLU  23  -4.580   6.560  -0.853
  199    HA   GLU  23           HA       GLU  23  -2.633   8.637  -0.917
  200    HB2  GLU  23           HB2      GLU  23  -3.779   7.057   1.390
  201    HB3  GLU  23           HB1      GLU  23  -2.658   8.393   1.589
  202    HG2  GLU  23           HG2      GLU  23  -4.327   9.839   0.397
  203    HG3  GLU  23           HG1      GLU  23  -5.457   8.488   0.503
  204    H    LEU  24           HN       LEU  24  -2.619   5.263   0.143
  205    HA   LEU  24           HA       LEU  24   0.124   5.183   0.847
  206    HB2  LEU  24           HB2      LEU  24  -1.649   2.910  -0.046
  207    HB3  LEU  24           HB1      LEU  24  -0.103   2.749   0.760
  208    HG   LEU  24           HG       LEU  24  -2.645   3.863   1.946
  209   HD11  LEU  24          HD11      LEU  24  -1.011   1.423   2.620
  210   HD12  LEU  24          HD12      LEU  24  -2.541   1.423   1.742
  211   HD13  LEU  24          HD13      LEU  24  -2.490   1.947   3.425
  212   HD21  LEU  24          HD21      LEU  24   0.106   3.636   3.164
  213   HD22  LEU  24          HD22      LEU  24  -1.369   4.062   4.032
  214   HD23  LEU  24          HD23      LEU  24  -0.745   5.133   2.777
  215    H    LYS  25           HN       LYS  25  -1.631   4.599  -2.140
  216    HA   LYS  25           HA       LYS  25   0.429   3.516  -3.676
  217    HB2  LYS  25           HB2      LYS  25  -1.988   3.713  -4.334
  218    HB3  LYS  25           HB1      LYS  25  -1.716   5.421  -4.642
  219    HG2  LYS  25           HG2      LYS  25  -0.002   4.780  -6.326
  220    HG3  LYS  25           HG1      LYS  25  -0.461   3.095  -6.076
  221    HD2  LYS  25           HD2      LYS  25  -2.296   5.301  -7.012
  222    HD3  LYS  25           HD1      LYS  25  -1.573   4.062  -8.039
  223    HE2  LYS  25           HE2      LYS  25  -2.741   2.341  -6.669
  224    HE3  LYS  25           HE1      LYS  25  -3.548   3.643  -5.798
  225    HZ1  LYS  25           HZ1      LYS  25  -3.778   3.062  -8.701
  226    HZ2  LYS  25           HZ2      LYS  25  -4.492   4.380  -7.928
  227    HZ3  LYS  25           HZ3      LYS  25  -4.973   2.809  -7.530
  228    H    GLN  26           HN       GLN  26  -0.415   6.888  -3.012
  229    HA   GLN  26           HA       GLN  26   1.572   8.048  -4.664
  230    HB2  GLN  26           HB2      GLN  26  -0.440   9.248  -3.847
  231    HB3  GLN  26           HB1      GLN  26   0.222   9.205  -2.221
  232    HG2  GLN  26           HG2      GLN  26   2.083  10.588  -2.902
  233    HG3  GLN  26           HG1      GLN  26   1.511  10.572  -4.570
  234   HE21  GLN  26          HE21      GLN  26  -0.625  10.790  -1.826
  235   HE22  GLN  26          HE22      GLN  26  -1.133  12.420  -2.105
  236    H    GLN  27           HN       GLN  27   1.519   6.917  -1.359
  237    HA   GLN  27           HA       GLN  27   3.955   8.143  -0.545
  238    HB2  GLN  27           HB2      GLN  27   2.444   5.774   0.574
  239    HB3  GLN  27           HB1      GLN  27   3.822   6.536   1.362
  240    HG2  GLN  27           HG2      GLN  27   2.599   8.598   1.609
  241    HG3  GLN  27           HG1      GLN  27   1.254   7.948   0.680
  242   HE21  GLN  27          HE21      GLN  27   3.027   6.125   3.093
  243   HE22  GLN  27          HE22      GLN  27   1.740   6.024   4.234
  244    H    VAL  28           HN       VAL  28   3.086   5.080  -2.013
  245    HA   VAL  28           HA       VAL  28   5.645   3.866  -1.840
  246    HB   VAL  28           HB       VAL  28   3.352   3.348  -3.746
  247   HG11  VAL  28          HG11      VAL  28   5.842   1.719  -3.261
  248   HG12  VAL  28          HG12      VAL  28   5.438   2.592  -4.739
  249   HG13  VAL  28          HG13      VAL  28   4.460   1.213  -4.232
  250   HG21  VAL  28          HG21      VAL  28   2.947   1.382  -2.333
  251   HG22  VAL  28          HG22      VAL  28   2.807   2.883  -1.417
  252   HG23  VAL  28          HG23      VAL  28   4.256   1.888  -1.265
  253    H    ASP  29           HN       ASP  29   3.980   5.690  -4.409
  254    HA   ASP  29           HA       ASP  29   6.043   5.631  -6.304
  255    HB2  ASP  29           HB2      ASP  29   3.778   7.552  -5.826
  256    HB3  ASP  29           HB1      ASP  29   4.988   7.887  -7.058
  257    H    SER  30           HN       SER  30   5.430   7.816  -3.606
  258    HA   SER  30           HA       SER  30   7.496   9.647  -4.146
  259    HB2  SER  30           HB2      SER  30   5.653  10.011  -2.486
  260    HB3  SER  30           HB1      SER  30   6.439   8.851  -1.418
  261    HG   SER  30           HG       SER  30   8.353  10.464  -1.944
  262    H    LEU  31           HN       LEU  31   7.443   6.647  -2.263
  263    HA   LEU  31           HA       LEU  31  10.046   6.764  -1.257
  264    HB2  LEU  31           HB2      LEU  31   8.444   5.122  -0.461
  265    HB3  LEU  31           HB1      LEU  31   8.394   4.362  -2.041
  266    HG   LEU  31           HG       LEU  31  10.797   3.754  -1.773
  267   HD11  LEU  31          HD11      LEU  31  11.748   3.843   0.501
  268   HD12  LEU  31          HD12      LEU  31  10.372   4.821   1.010
  269   HD13  LEU  31          HD13      LEU  31  11.493   5.439  -0.205
  270   HD21  LEU  31          HD21      LEU  31  10.403   1.912  -0.274
  271   HD22  LEU  31          HD22      LEU  31   8.957   2.192  -1.244
  272   HD23  LEU  31          HD23      LEU  31   9.015   2.737   0.432
  273    H    LEU  32           HN       LEU  32   8.816   5.290  -4.223
  274    HA   LEU  32           HA       LEU  32  11.235   4.300  -5.200
  275    HB2  LEU  32           HB2      LEU  32   8.777   5.234  -6.683
  276    HB3  LEU  32           HB1      LEU  32  10.074   4.292  -7.395
  277    HG   LEU  32           HG       LEU  32   8.310   3.369  -5.127
  278   HD11  LEU  32          HD11      LEU  32   7.068   3.568  -7.213
  279   HD12  LEU  32          HD12      LEU  32   7.309   1.875  -6.781
  280   HD13  LEU  32          HD13      LEU  32   8.294   2.612  -8.045
  281   HD21  LEU  32          HD21      LEU  32  10.506   2.358  -5.033
  282   HD22  LEU  32          HD22      LEU  32  10.405   1.923  -6.740
  283   HD23  LEU  32          HD23      LEU  32   9.316   1.173  -5.572
  284    H    SER  33           HN       SER  33   9.784   7.481  -5.409
  285    HA   SER  33           HA       SER  33  11.512   8.529  -7.386
  286    HB2  SER  33           HB2      SER  33  10.041  10.013  -5.197
  287    HB3  SER  33           HB1      SER  33  10.689  10.714  -6.679
  288    HG   SER  33           HG       SER  33   8.639   8.741  -6.512
  289    H    GLU  34           HN       GLU  34  11.674   8.390  -3.861
  290    HA   GLU  34           HA       GLU  34  14.023  10.049  -3.729
  291    HB2  GLU  34           HB2      GLU  34  12.377   8.568  -1.719
  292    HB3  GLU  34           HB1      GLU  34  13.991   9.104  -1.283
  293    HG2  GLU  34           HG2      GLU  34  12.495  10.765  -0.534
  294    HG3  GLU  34           HG1      GLU  34  13.305  11.416  -1.953
  295    H    SER  35           HN       SER  35  13.323   6.706  -4.086
  296    HA   SER  35           HA       SER  35  15.688   5.686  -2.892
  297    HB2  SER  35           HB2      SER  35  13.773   4.376  -4.831
  298    HB3  SER  35           HB1      SER  35  15.030   3.537  -3.920
  299    HG   SER  35           HG       SER  35  12.833   4.976  -2.828
  300    H    GLN  36           HN       GLN  36  15.249   7.292  -5.847
  301    HA   GLN  36           HA       GLN  36  17.472   5.815  -7.063
  302    HB2  GLN  36           HB2      GLN  36  15.387   7.586  -8.339
  303    HB3  GLN  36           HB1      GLN  36  16.770   6.917  -9.193
  304    HG2  GLN  36           HG2      GLN  36  14.597   5.318  -7.856
  305    HG3  GLN  36           HG1      GLN  36  14.728   5.635  -9.582
  306   HE21  GLN  36          HE21      GLN  36  14.841   3.464 -10.097
  307   HE22  GLN  36          HE22      GLN  36  16.240   2.503  -9.766
  308    H    LEU  37           HN       LEU  37  17.198   8.239  -5.078
  309    HA   LEU  37           HA       LEU  37  18.566  10.358  -6.451
  310    HB2  LEU  37           HB2      LEU  37  18.163   9.885  -3.496
  311    HB3  LEU  37           HB1      LEU  37  18.747  11.371  -4.217
  312    HG   LEU  37           HG       LEU  37  15.994  10.206  -4.610
  313   HD11  LEU  37          HD11      LEU  37  16.312  11.048  -2.359
  314   HD12  LEU  37          HD12      LEU  37  15.252  12.119  -3.274
  315   HD13  LEU  37          HD13      LEU  37  16.934  12.569  -2.997
  316   HD21  LEU  37          HD21      LEU  37  16.622  11.422  -6.568
  317   HD22  LEU  37          HD22      LEU  37  17.257  12.749  -5.598
  318   HD23  LEU  37          HD23      LEU  37  15.524  12.427  -5.626
  319    H    LYS  38           HN       LYS  38  20.716  10.871  -6.394
  320    HA   LYS  38           HA       LYS  38  22.580   8.780  -5.836
  321    HB2  LYS  38           HB2      LYS  38  23.012  11.694  -6.518
  322    HB3  LYS  38           HB1      LYS  38  24.310  10.522  -6.356
  323    HG2  LYS  38           HG2      LYS  38  23.286   9.212  -8.198
  324    HG3  LYS  38           HG1      LYS  38  22.106  10.510  -8.409
  325    HD2  LYS  38           HD2      LYS  38  23.917  12.092  -8.854
  326    HD3  LYS  38           HD1      LYS  38  25.105  10.811  -8.616
  327    HE2  LYS  38           HE2      LYS  38  24.124   9.590 -10.518
  328    HE3  LYS  38           HE1      LYS  38  23.001  10.925 -10.773
  329    HZ1  LYS  38           HZ1      LYS  38  24.893  11.084 -12.250
  330    HZ2  LYS  38           HZ2      LYS  38  25.962  11.088 -10.943
  331    HZ3  LYS  38           HZ3      LYS  38  24.894  12.382 -11.167
  332    H    GLU  39           HN       GLU  39  21.441  11.616  -4.157
  333    HA   GLU  39           HA       GLU  39  23.434  11.631  -2.128
  334    HB2  GLU  39           HB2      GLU  39  20.633  12.755  -2.164
  335    HB3  GLU  39           HB1      GLU  39  21.788  13.026  -0.869
  336    HG2  GLU  39           HG2      GLU  39  23.305  14.105  -2.469
  337    HG3  GLU  39           HG1      GLU  39  22.100  13.877  -3.736
  338    H    ALA  40           HN       ALA  40  20.763   9.624  -2.750
  339    HA   ALA  40           HA       ALA  40  20.267   8.857  -0.029
  340    HB1  ALA  40           HB1      ALA  40  19.360   7.640  -2.626
  341    HB2  ALA  40           HB2      ALA  40  18.457   8.769  -1.615
  342    HB3  ALA  40           HB3      ALA  40  18.806   7.144  -1.028
  343    H    LEU  41           HN       LEU  41  22.775   8.318  -2.042
  344    HA   LEU  41           HA       LEU  41  23.290   5.553  -1.525
  345    HB2  LEU  41           HB2      LEU  41  24.223   6.776  -3.469
  346    HB3  LEU  41           HB1      LEU  41  25.200   7.732  -2.372
  347    HG   LEU  41           HG       LEU  41  26.338   5.633  -1.645
  348   HD11  LEU  41          HD11      LEU  41  24.618   4.033  -2.211
  349   HD12  LEU  41          HD12      LEU  41  26.106   3.650  -3.076
  350   HD13  LEU  41          HD13      LEU  41  24.772   4.435  -3.921
  351   HD21  LEU  41          HD21      LEU  41  27.679   5.390  -3.689
  352   HD22  LEU  41          HD22      LEU  41  27.367   7.079  -3.292
  353   HD23  LEU  41          HD23      LEU  41  26.456   6.294  -4.583
  354    H    GLU  42           HN       GLU  42  23.537   8.377   0.315
  355    HA   GLU  42           HA       GLU  42  25.815   7.846   1.872
  356    HB2  GLU  42           HB2      GLU  42  23.314   9.381   2.610
  357    HB3  GLU  42           HB1      GLU  42  24.807   9.394   3.532
  358    HG2  GLU  42           HG2      GLU  42  24.427  10.410   0.727
  359    HG3  GLU  42           HG1      GLU  42  24.645  11.378   2.187
  360    HA   PRO  43           HA       PRO  43  24.765   4.258   4.077
  361    HB2  PRO  43           HB2      PRO  43  25.784   4.874   6.602
  362    HB3  PRO  43           HB1      PRO  43  26.686   4.157   5.267
  363    HG2  PRO  43           HG2      PRO  43  26.546   6.997   6.155
  364    HG3  PRO  43           HG1      PRO  43  27.926   6.086   5.515
  365    HD2  PRO  43           HD2      PRO  43  26.607   7.865   4.012
  366    HD3  PRO  43           HD1      PRO  43  27.235   6.352   3.314
  367    H    ASN  44           HN       ASN  44  24.160   7.170   6.081
  368    HA   ASN  44           HA       ASN  44  22.182   5.817   7.646
  369    HB2  ASN  44           HB2      ASN  44  22.923   8.742   7.461
  370    HB3  ASN  44           HB1      ASN  44  21.653   8.140   8.517
  371   HD21  ASN  44          HD21      ASN  44  25.058   8.426   8.020
  372   HD22  ASN  44          HD22      ASN  44  25.543   7.781   9.553
  373    H    LYS  45           HN       LYS  45  22.049   8.222   5.036
  374    HA   LYS  45           HA       LYS  45  19.254   8.474   5.018
  375    HB2  LYS  45           HB2      LYS  45  20.940  10.018   3.936
  376    HB3  LYS  45           HB1      LYS  45  21.067   8.845   2.635
  377    HG2  LYS  45           HG2      LYS  45  18.875   9.227   1.917
  378    HG3  LYS  45           HG1      LYS  45  18.421  10.008   3.434
  379    HD2  LYS  45           HD2      LYS  45  20.033  11.842   2.878
  380    HD3  LYS  45           HD1      LYS  45  20.252  11.092   1.295
  381    HE2  LYS  45           HE2      LYS  45  17.967  11.444   0.726
  382    HE3  LYS  45           HE1      LYS  45  17.569  11.927   2.373
  383    HZ1  LYS  45           HZ1      LYS  45  19.325  13.425   0.503
  384    HZ2  LYS  45           HZ2      LYS  45  18.966  13.883   2.086
  385    HZ3  LYS  45           HZ3      LYS  45  17.743  13.842   0.922
  386    H    ARG  46           HN       ARG  46  21.415   6.191   3.474
  387    HA   ARG  46           HA       ARG  46  19.588   4.928   1.757
  388    HB2  ARG  46           HB2      ARG  46  22.078   4.573   1.826
  389    HB3  ARG  46           HB1      ARG  46  21.848   3.605   3.274
  390    HG2  ARG  46           HG2      ARG  46  20.411   2.073   1.960
  391    HG3  ARG  46           HG1      ARG  46  20.800   3.010   0.517
  392    HD2  ARG  46           HD2      ARG  46  22.694   1.440   2.255
  393    HD3  ARG  46           HD1      ARG  46  22.250   1.109   0.582
  394    HE   ARG  46           HE       ARG  46  23.396   3.681   0.771
  395   HH11  ARG  46          HH11      ARG  46  24.274   0.293   0.928
  396   HH12  ARG  46          HH12      ARG  46  25.906   0.565   0.392
  397   HH21  ARG  46          HH21      ARG  46  25.556   4.047   0.110
  398   HH22  ARG  46          HH22      ARG  46  26.630   2.693  -0.072
  399    H    GLN  47           HN       GLN  47  20.328   4.437   5.176
  400    HA   GLN  47           HA       GLN  47  18.567   2.253   5.563
  401    HB2  GLN  47           HB2      GLN  47  19.800   4.231   7.471
  402    HB3  GLN  47           HB1      GLN  47  18.748   2.930   8.008
  403    HG2  GLN  47           HG2      GLN  47  21.134   2.312   6.325
  404    HG3  GLN  47           HG1      GLN  47  21.327   2.629   8.045
  405   HE21  GLN  47          HE21      GLN  47  18.446   1.095   6.823
  406   HE22  GLN  47          HE22      GLN  47  18.785  -0.474   7.454
  407    H    HIS  48           HN       HIS  48  18.182   5.723   5.595
  408    HA   HIS  48           HA       HIS  48  15.706   5.877   6.905
  409    HB2  HIS  48           HB2      HIS  48  17.189   7.843   6.345
  410    HB3  HIS  48           HB1      HIS  48  16.643   7.708   4.676
  411    HD1  HIS  48           HD1      HIS  48  15.441   8.666   8.111
  412    HD2  HIS  48           HD2      HIS  48  14.102   8.747   4.171
  413    HE1  HIS  48           HE1      HIS  48  13.352  10.072   8.128
  414    HE2  HIS  48           HE2      HIS  48  12.643  10.220   5.719
  415    H    ILE  49           HN       ILE  49  16.533   5.168   3.554
  416    HA   ILE  49           HA       ILE  49  13.901   5.204   2.513
  417    HB   ILE  49           HB       ILE  49  16.279   3.551   1.631
  418   HG12  ILE  49          HG12      ILE  49  15.222   6.183   0.575
  419   HG13  ILE  49          HG11      ILE  49  16.646   6.003   1.594
  420   HG21  ILE  49          HG21      ILE  49  15.125   3.311  -0.496
  421   HG22  ILE  49          HG22      ILE  49  13.750   4.221   0.129
  422   HG23  ILE  49          HG23      ILE  49  14.148   2.644   0.815
  423   HD11  ILE  49          HD11      ILE  49  17.811   4.832  -0.116
  424   HD12  ILE  49          HD12      ILE  49  17.108   6.280  -0.839
  425   HD13  ILE  49          HD13      ILE  49  16.355   4.709  -1.100
  426    H    TYR  50           HN       TYR  50  15.915   2.488   3.654
  427    HA   TYR  50           HA       TYR  50  14.051   0.469   3.657
  428    HB2  TYR  50           HB2      TYR  50  16.436   0.157   4.156
  429    HB3  TYR  50           HB1      TYR  50  16.239   0.992   5.690
  430    HD1  TYR  50           HD1      TYR  50  16.344  -0.435   7.523
  431    HD2  TYR  50           HD2      TYR  50  14.526  -1.842   3.937
  432    HE1  TYR  50           HE1      TYR  50  15.819  -2.569   8.626
  433    HE2  TYR  50           HE2      TYR  50  14.009  -3.976   5.031
  434    HH   TYR  50           HH       TYR  50  14.260  -4.426   8.403
  435    H    GLN  51           HN       GLN  51  14.564   2.962   6.114
  436    HA   GLN  51           HA       GLN  51  12.697   1.998   8.005
  437    HB2  GLN  51           HB2      GLN  51  14.506   3.843   8.273
  438    HB3  GLN  51           HB1      GLN  51  13.297   4.926   7.594
  439    HG2  GLN  51           HG2      GLN  51  13.238   5.079   9.987
  440    HG3  GLN  51           HG1      GLN  51  11.758   4.302   9.424
  441   HE21  GLN  51          HE21      GLN  51  11.406   3.335  11.421
  442   HE22  GLN  51          HE22      GLN  51  12.350   1.996  11.979
  443    H    ARG  52           HN       ARG  52  12.383   4.267   5.295
  444    HA   ARG  52           HA       ARG  52   9.688   4.967   5.661
  445    HB2  ARG  52           HB2      ARG  52  11.484   4.857   3.268
  446    HB3  ARG  52           HB1      ARG  52   9.769   5.132   3.042
  447    HG2  ARG  52           HG2      ARG  52   9.965   7.109   4.552
  448    HG3  ARG  52           HG1      ARG  52  11.717   6.867   4.535
  449    HD2  ARG  52           HD2      ARG  52  11.769   7.120   2.134
  450    HD3  ARG  52           HD1      ARG  52  10.014   7.225   2.070
  451    HE   ARG  52           HE       ARG  52  11.244   9.267   3.687
  452   HH11  ARG  52          HH11      ARG  52  10.128   8.355   0.503
  453   HH12  ARG  52          HH12      ARG  52  10.139   9.978  -0.124
  454   HH21  ARG  52          HH21      ARG  52  11.227  11.419   2.896
  455   HH22  ARG  52          HH22      ARG  52  10.739  11.723   1.260
  456    H    CYS  53           HN       CYS  53  11.207   2.246   4.088
  457    HA   CYS  53           HA       CYS  53   8.918   1.321   2.705
  458    HB2  CYS  53           HB2      CYS  53  11.210   0.644   2.080
  459    HB3  CYS  53           HB1      CYS  53  11.348  -0.258   3.594
  460    HG   CYS  53           HG       CYS  53  10.625  -1.574   0.895
  461    H    ILE  54           HN       ILE  54  10.367   0.397   5.799
  462    HA   ILE  54           HA       ILE  54   8.585  -1.602   6.526
  463    HB   ILE  54           HB       ILE  54  10.054   0.371   8.271
  464   HG12  ILE  54          HG12      ILE  54  10.634  -2.515   7.550
  465   HG13  ILE  54          HG11      ILE  54  11.482  -1.109   6.907
  466   HG21  ILE  54          HG21      ILE  54   9.654  -1.169  10.126
  467   HG22  ILE  54          HG22      ILE  54   8.644  -2.168   9.082
  468   HG23  ILE  54          HG23      ILE  54   8.142  -0.525   9.485
  469   HD11  ILE  54          HD11      ILE  54  12.761  -2.234   8.650
  470   HD12  ILE  54          HD12      ILE  54  11.443  -1.966   9.793
  471   HD13  ILE  54          HD13      ILE  54  12.327  -0.592   9.128
  472    H    GLN  55           HN       GLN  55   8.350   1.892   7.031
  473    HA   GLN  55           HA       GLN  55   5.991   1.851   8.570
  474    HB2  GLN  55           HB2      GLN  55   7.075   4.016   6.765
  475    HB3  GLN  55           HB1      GLN  55   5.794   4.237   7.949
  476    HG2  GLN  55           HG2      GLN  55   7.332   3.698   9.746
  477    HG3  GLN  55           HG1      GLN  55   8.620   3.408   8.575
  478   HE21  GLN  55          HE21      GLN  55   9.917   5.004   9.471
  479   HE22  GLN  55          HE22      GLN  55   9.580   6.687   9.271
  480    H    LEU  56           HN       LEU  56   6.436   2.495   5.097
  481    HA   LEU  56           HA       LEU  56   3.764   2.692   4.409
  482    HB2  LEU  56           HB2      LEU  56   5.911   1.518   2.646
  483    HB3  LEU  56           HB1      LEU  56   4.435   2.299   2.124
  484    HG   LEU  56           HG       LEU  56   6.795   3.622   3.462
  485   HD11  LEU  56          HD11      LEU  56   7.138   3.033   1.120
  486   HD12  LEU  56          HD12      LEU  56   7.049   4.780   1.347
  487   HD13  LEU  56          HD13      LEU  56   5.667   3.905   0.685
  488   HD21  LEU  56          HD21      LEU  56   5.582   5.732   3.054
  489   HD22  LEU  56          HD22      LEU  56   4.779   4.697   4.232
  490   HD23  LEU  56          HD23      LEU  56   4.164   4.798   2.584
  491    H    LYS  57           HN       LYS  57   5.756  -0.190   4.728
  492    HA   LYS  57           HA       LYS  57   3.960  -2.028   3.584
  493    HB2  LYS  57           HB2      LYS  57   6.255  -2.664   3.980
  494    HB3  LYS  57           HB1      LYS  57   6.090  -2.369   5.705
  495    HG2  LYS  57           HG2      LYS  57   4.527  -4.241   5.877
  496    HG3  LYS  57           HG1      LYS  57   4.693  -4.537   4.145
  497    HD2  LYS  57           HD2      LYS  57   6.984  -5.135   4.385
  498    HD3  LYS  57           HD1      LYS  57   7.022  -4.565   6.054
  499    HE2  LYS  57           HE2      LYS  57   6.922  -7.002   5.941
  500    HE3  LYS  57           HE1      LYS  57   5.489  -6.331   6.711
  501    HZ1  LYS  57           HZ1      LYS  57   4.286  -6.613   4.637
  502    HZ2  LYS  57           HZ2      LYS  57   4.926  -8.086   5.160
  503    HZ3  LYS  57           HZ3      LYS  57   5.668  -7.249   3.895
  504    H    GLN  58           HN       GLN  58   4.448  -0.998   6.930
  505    HA   GLN  58           HA       GLN  58   2.412  -2.524   8.099
  506    HB2  GLN  58           HB2      GLN  58   4.135  -1.410   9.414
  507    HB3  GLN  58           HB1      GLN  58   3.521   0.163   8.929
  508    HG2  GLN  58           HG2      GLN  58   2.845  -0.393  11.188
  509    HG3  GLN  58           HG1      GLN  58   1.449  -0.258  10.123
  510   HE21  GLN  58          HE21      GLN  58   3.606  -3.023  10.219
  511   HE22  GLN  58          HE22      GLN  58   2.449  -4.133  10.866
  512    H    ALA  59           HN       ALA  59   2.333   0.647   6.554
  513    HA   ALA  59           HA       ALA  59  -0.301   1.327   7.235
  514    HB1  ALA  59           HB1      ALA  59   1.330   2.942   6.406
  515    HB2  ALA  59           HB2      ALA  59  -0.147   2.965   5.443
  516    HB3  ALA  59           HB3      ALA  59   1.299   2.166   4.824
  517    H    ILE  60           HN       ILE  60   1.032  -0.432   4.460
  518    HA   ILE  60           HA       ILE  60  -1.387  -0.682   3.032
  519    HB   ILE  60           HB       ILE  60   1.026  -2.507   3.061
  520   HG12  ILE  60          HG12      ILE  60   0.186  -0.324   1.138
  521   HG13  ILE  60          HG11      ILE  60   1.481  -0.198   2.326
  522   HG21  ILE  60          HG21      ILE  60  -1.261  -2.403   1.099
  523   HG22  ILE  60          HG22      ILE  60  -0.955  -3.692   2.261
  524   HG23  ILE  60          HG23      ILE  60   0.185  -3.401   0.947
  525   HD11  ILE  60          HD11      ILE  60   1.398  -2.046  -0.048
  526   HD12  ILE  60          HD12      ILE  60   2.673  -2.015   1.169
  527   HD13  ILE  60          HD13      ILE  60   2.403  -0.609   0.141
  528    H    ASP  61           HN       ASP  61   0.134  -2.656   5.523
  529    HA   ASP  61           HA       ASP  61  -1.712  -4.787   5.501
  530    HB2  ASP  61           HB2      ASP  61   0.520  -4.821   6.660
  531    HB3  ASP  61           HB1      ASP  61  -0.158  -3.758   7.894
  532    H    GLU  62           HN       GLU  62  -1.692  -1.675   7.115
  533    HA   GLU  62           HA       GLU  62  -3.864  -2.048   8.846
  534    HB2  GLU  62           HB2      GLU  62  -2.326  -0.144   9.002
  535    HB3  GLU  62           HB1      GLU  62  -2.909   0.469   7.461
  536    HG2  GLU  62           HG2      GLU  62  -3.964   1.762   9.107
  537    HG3  GLU  62           HG1      GLU  62  -5.185   0.628   8.534
  538    H    ASN  63           HN       ASN  63  -3.719  -0.818   5.520
  539    HA   ASN  63           HA       ASN  63  -6.504  -0.383   5.243
  540    HB2  ASN  63           HB2      ASN  63  -4.307  -0.794   3.218
  541    HB3  ASN  63           HB1      ASN  63  -5.980  -0.515   2.751
  542   HD21  ASN  63          HD21      ASN  63  -5.375   1.389   1.695
  543   HD22  ASN  63          HD22      ASN  63  -4.983   2.829   2.573
  544    H    LYS  64           HN       LYS  64  -4.402  -3.115   4.423
  545    HA   LYS  64           HA       LYS  64  -6.315  -4.775   3.256
  546    HB2  LYS  64           HB2      LYS  64  -3.900  -5.239   3.226
  547    HB3  LYS  64           HB1      LYS  64  -3.934  -5.552   4.955
  548    HG2  LYS  64           HG2      LYS  64  -5.408  -7.468   4.576
  549    HG3  LYS  64           HG1      LYS  64  -5.356  -7.155   2.839
  550    HD2  LYS  64           HD2      LYS  64  -2.948  -7.525   2.829
  551    HD3  LYS  64           HD1      LYS  64  -2.969  -7.785   4.573
  552    HE2  LYS  64           HE2      LYS  64  -4.401  -9.741   4.272
  553    HE3  LYS  64           HE1      LYS  64  -4.403  -9.479   2.528
  554    HZ1  LYS  64           HZ1      LYS  64  -2.048 -10.140   4.210
  555    HZ2  LYS  64           HZ2      LYS  64  -1.979  -9.786   2.560
  556    HZ3  LYS  64           HZ3      LYS  64  -2.806 -11.159   3.093
  557    H    ASN  65           HN       ASN  65  -5.435  -4.342   6.658
  558    HA   ASN  65           HA       ASN  65  -7.144  -6.345   7.688
  559    HB2  ASN  65           HB2      ASN  65  -5.972  -3.874   8.970
  560    HB3  ASN  65           HB1      ASN  65  -6.886  -5.086   9.859
  561   HD21  ASN  65          HD21      ASN  65  -4.141  -4.268  10.207
  562   HD22  ASN  65          HD22      ASN  65  -3.162  -5.671   9.950
  563    H    ALA  66           HN       ALA  66  -7.608  -2.932   6.999
  564    HA   ALA  66           HA       ALA  66 -10.157  -2.650   8.167
  565    HB1  ALA  66           HB1      ALA  66 -10.387  -0.669   6.738
  566    HB2  ALA  66           HB2      ALA  66  -8.966  -1.170   5.821
  567    HB3  ALA  66           HB3      ALA  66  -8.806  -0.723   7.517
  568    H    LEU  67           HN       LEU  67  -9.124  -3.468   4.884
  569    HA   LEU  67           HA       LEU  67 -11.731  -3.679   3.810
  570    HB2  LEU  67           HB2      LEU  67  -9.719  -3.323   2.454
  571    HB3  LEU  67           HB1      LEU  67  -9.153  -4.926   2.866
  572    HG   LEU  67           HG       LEU  67 -10.971  -5.942   1.631
  573   HD11  LEU  67          HD11      LEU  67 -12.485  -4.496   0.273
  574   HD12  LEU  67          HD12      LEU  67 -11.900  -3.111   1.193
  575   HD13  LEU  67          HD13      LEU  67 -12.763  -4.414   2.010
  576   HD21  LEU  67          HD21      LEU  67  -9.585  -3.761   0.081
  577   HD22  LEU  67          HD22      LEU  67 -10.397  -5.154  -0.628
  578   HD23  LEU  67          HD23      LEU  67  -8.973  -5.386   0.385
  579    H    GLN  68           HN       GLN  68  -9.457  -6.116   5.055
  580    HA   GLN  68           HA       GLN  68 -11.095  -8.347   4.608
  581    HB2  GLN  68           HB2      GLN  68  -8.655  -8.376   5.141
  582    HB3  GLN  68           HB1      GLN  68  -9.053  -7.979   6.805
  583    HG2  GLN  68           HG2      GLN  68 -10.207 -10.061   7.084
  584    HG3  GLN  68           HG1      GLN  68 -10.007 -10.446   5.374
  585   HE21  GLN  68          HE21      GLN  68  -8.414 -10.154   8.451
  586   HE22  GLN  68          HE22      GLN  68  -6.981 -11.011   8.017
  587    H    LYS  69           HN       LYS  69 -11.233  -5.887   7.021
  588    HA   LYS  69           HA       LYS  69 -12.928  -7.352   8.835
  589    HB2  LYS  69           HB2      LYS  69 -11.439  -5.493   9.574
  590    HB3  LYS  69           HB1      LYS  69 -12.406  -4.373   8.627
  591    HG2  LYS  69           HG2      LYS  69 -14.343  -4.849  10.037
  592    HG3  LYS  69           HG1      LYS  69 -13.371  -5.973  10.991
  593    HD2  LYS  69           HD2      LYS  69 -11.874  -4.158  11.626
  594    HD3  LYS  69           HD1      LYS  69 -12.812  -3.029  10.648
  595    HE2  LYS  69           HE2      LYS  69 -13.393  -2.830  13.001
  596    HE3  LYS  69           HE1      LYS  69 -14.763  -3.419  12.064
  597    HZ1  LYS  69           HZ1      LYS  69 -12.946  -5.095  13.711
  598    HZ2  LYS  69           HZ2      LYS  69 -14.269  -5.660  12.820
  599    HZ3  LYS  69           HZ3      LYS  69 -14.516  -4.629  14.136
  600    H    LEU  70           HN       LEU  70 -13.287  -5.525   5.973
  601    HA   LEU  70           HA       LEU  70 -16.099  -4.935   6.361
  602    HB2  LEU  70           HB2      LEU  70 -14.661  -3.286   5.282
  603    HB3  LEU  70           HB1      LEU  70 -14.202  -4.452   4.059
  604    HG   LEU  70           HG       LEU  70 -16.603  -4.486   3.311
  605   HD11  LEU  70          HD11      LEU  70 -16.804  -2.094   5.134
  606   HD12  LEU  70          HD12      LEU  70 -17.627  -3.637   5.350
  607   HD13  LEU  70          HD13      LEU  70 -18.021  -2.614   3.970
  608   HD21  LEU  70          HD21      LEU  70 -15.110  -1.872   3.195
  609   HD22  LEU  70          HD22      LEU  70 -16.434  -2.341   2.127
  610   HD23  LEU  70          HD23      LEU  70 -14.919  -3.244   2.104
  611    H    SER  71           HN       SER  71 -17.710  -5.648   4.847
  612    HA   SER  71           HA       SER  71 -18.817  -7.081   3.489
  613    HB2  SER  71           HB2      SER  71 -16.853  -6.696   1.946
  614    HB3  SER  71           HB1      SER  71 -16.110  -8.140   2.630
  615    HG   SER  71           HG       SER  71 -18.537  -8.858   1.953
  616    H    LYS  72           HN       LYS  72 -19.043  -7.806   5.900
  617    HA   LYS  72           HA       LYS  72 -18.013 -10.281   6.730
  618    HB2  LYS  72           HB2      LYS  72 -20.056 -10.345   8.212
  619    HB3  LYS  72           HB1      LYS  72 -19.132  -8.851   8.322
  620    HG2  LYS  72           HG2      LYS  72 -20.764  -7.794   6.760
  621    HG3  LYS  72           HG1      LYS  72 -21.719  -9.278   6.824
  622    HD2  LYS  72           HD2      LYS  72 -21.932  -9.010   9.272
  623    HD3  LYS  72           HD1      LYS  72 -21.037  -7.492   9.167
  624    HE2  LYS  72           HE2      LYS  72 -22.781  -6.619   7.648
  625    HE3  LYS  72           HE1      LYS  72 -23.684  -8.114   7.866
  626    HZ1  LYS  72           HZ1      LYS  72 -23.883  -7.631  10.211
  627    HZ2  LYS  72           HZ2      LYS  72 -24.496  -6.346   9.298
  628    HZ3  LYS  72           HZ3      LYS  72 -22.979  -6.211  10.031
  629    H    ALA  73           HN       ALA  73 -18.765 -12.393   6.502
  630    HA   ALA  73           HA       ALA  73 -19.555 -13.024   3.904
  631    HB1  ALA  73           HB1      ALA  73 -19.563 -14.825   6.312
  632    HB2  ALA  73           HB2      ALA  73 -18.153 -14.442   5.326
  633    HB3  ALA  73           HB3      ALA  73 -19.506 -15.328   4.623
  634    H    ASP  74           HN       ASP  74 -21.526 -12.421   6.671
  635    HA   ASP  74           HA       ASP  74 -23.795 -13.900   5.633
  636    HB2  ASP  74           HB2      ASP  74 -23.399 -13.670   8.090
  637    HB3  ASP  74           HB1      ASP  74 -23.711 -11.944   7.943
  638    H    GLU  75           HN       GLU  75 -22.517 -10.708   5.386
  639    HA   GLU  75           HA       GLU  75 -24.861  -9.899   3.831
  640    HB2  GLU  75           HB2      GLU  75 -25.002  -9.077   6.252
  641    HB3  GLU  75           HB1      GLU  75 -23.633  -8.046   5.870
  642    HG2  GLU  75           HG2      GLU  75 -26.186  -7.958   4.294
  643    HG3  GLU  75           HG1      GLU  75 -25.953  -7.016   5.762
  644    H    SER  76           HN       SER  76 -23.713  -9.995   1.957
  645    HA   SER  76           HA       SER  76 -21.959  -7.739   1.464
  646    HB2  SER  76           HB2      SER  76 -21.111 -10.586   0.856
  647    HB3  SER  76           HB1      SER  76 -20.284  -9.144   0.276
  648    HG   SER  76           HG       SER  76 -20.723  -9.673   3.029
  649    H    ALA  77           HN       ALA  77 -22.998  -6.768  -0.135
  650    HA   ALA  77           HA       ALA  77 -24.852  -8.118  -1.828
  651    HB1  ALA  77           HB1      ALA  77 -25.225  -5.828  -1.074
  652    HB2  ALA  77           HB2      ALA  77 -25.210  -5.926  -2.834
  653    HB3  ALA  77           HB3      ALA  77 -23.805  -5.295  -1.975
  654    HA   PRO  78           HA       PRO  78 -21.701  -8.829  -4.979
  655    HB2  PRO  78           HB2      PRO  78 -22.668 -11.175  -5.851
  656    HB3  PRO  78           HB1      PRO  78 -21.799 -11.056  -4.318
  657    HG2  PRO  78           HG2      PRO  78 -24.678 -11.453  -4.823
  658    HG3  PRO  78           HG1      PRO  78 -23.713 -11.892  -3.405
  659    HD2  PRO  78           HD2      PRO  78 -25.399  -9.587  -3.755
  660    HD3  PRO  78           HD1      PRO  78 -24.434 -10.029  -2.335
  661    H    VAL  79           HN       VAL  79 -23.349  -6.867  -5.640
  662    HA   VAL  79           HA       VAL  79 -25.373  -7.489  -7.516
  663    HB   VAL  79           HB       VAL  79 -23.917  -4.871  -7.146
  664   HG11  VAL  79          HG11      VAL  79 -26.569  -5.473  -8.450
  665   HG12  VAL  79          HG12      VAL  79 -25.096  -4.961  -9.274
  666   HG13  VAL  79          HG13      VAL  79 -25.908  -3.863  -8.160
  667   HG21  VAL  79          HG21      VAL  79 -26.480  -5.867  -5.914
  668   HG22  VAL  79          HG22      VAL  79 -25.816  -4.242  -5.739
  669   HG23  VAL  79          HG23      VAL  79 -24.946  -5.625  -5.078
  670    H    ALA  80           HN       ALA  80 -22.430  -5.591  -8.277
  671    HA   ALA  80           HA       ALA  80 -21.880  -7.370 -10.498
  672    HB1  ALA  80           HB1      ALA  80 -22.540  -4.463 -10.937
  673    HB2  ALA  80           HB2      ALA  80 -23.465  -5.856 -11.494
  674    HB3  ALA  80           HB3      ALA  80 -21.860  -5.545 -12.152
  675    H    ASN  81           HN       ASN  81 -20.836  -4.003 -10.046
  676    HA   ASN  81           HA       ASN  81 -18.113  -4.852 -10.395
  677    HB2  ASN  81           HB2      ASN  81 -17.535  -2.473 -10.280
  678    HB3  ASN  81           HB1      ASN  81 -18.866  -2.746 -11.398
  679   HD21  ASN  81          HD21      ASN  81 -20.871  -1.900 -10.943
  680   HD22  ASN  81          HD22      ASN  81 -21.151  -0.795  -9.645
  681    H    TYR  82           HN       TYR  82 -20.155  -4.402  -7.723
  682    HA   TYR  82           HA       TYR  82 -18.402  -3.583  -5.715
  683    HB2  TYR  82           HB2      TYR  82 -20.923  -3.969  -5.539
  684    HB3  TYR  82           HB1      TYR  82 -20.565  -5.681  -5.357
  685    HD1  TYR  82           HD1      TYR  82 -18.946  -6.299  -3.362
  686    HD2  TYR  82           HD2      TYR  82 -21.078  -2.621  -3.657
  687    HE1  TYR  82           HE1      TYR  82 -18.739  -5.988  -0.938
  688    HE2  TYR  82           HE2      TYR  82 -20.859  -2.299  -1.230
  689    HH   TYR  82           HH       TYR  82 -20.508  -3.696   0.795
  690    H    ASN  83           HN       ASN  83 -18.888  -6.760  -7.174
  691    HA   ASN  83           HA       ASN  83 -17.311  -8.203  -5.299
  692    HB2  ASN  83           HB2      ASN  83 -18.041  -8.910  -8.152
  693    HB3  ASN  83           HB1      ASN  83 -17.353 -10.020  -6.975
  694   HD21  ASN  83          HD21      ASN  83 -19.858 -10.199  -8.421
  695   HD22  ASN  83          HD22      ASN  83 -21.098 -10.295  -7.218
  696    H    GLN  84           HN       GLN  84 -16.662  -6.836  -8.501
  697    HA   GLN  84           HA       GLN  84 -14.027  -7.887  -8.644
  698    HB2  GLN  84           HB2      GLN  84 -15.414  -7.284 -10.643
  699    HB3  GLN  84           HB1      GLN  84 -15.168  -5.587 -10.241
  700    HG2  GLN  84           HG2      GLN  84 -13.620  -6.320 -11.970
  701    HG3  GLN  84           HG1      GLN  84 -12.763  -5.859 -10.498
  702   HE21  GLN  84          HE21      GLN  84 -10.962  -7.094 -10.855
  703   HE22  GLN  84          HE22      GLN  84 -10.983  -8.824 -10.830
  704    H    ARG  85           HN       ARG  85 -15.377  -4.732  -7.779
  705    HA   ARG  85           HA       ARG  85 -12.930  -3.332  -7.689
  706    HB2  ARG  85           HB2      ARG  85 -15.280  -2.348  -7.694
  707    HB3  ARG  85           HB1      ARG  85 -15.345  -2.727  -5.980
  708    HG2  ARG  85           HG2      ARG  85 -13.231  -1.342  -5.747
  709    HG3  ARG  85           HG1      ARG  85 -13.554  -0.779  -7.388
  710    HD2  ARG  85           HD2      ARG  85 -15.238  -0.407  -4.924
  711    HD3  ARG  85           HD1      ARG  85 -14.485   0.831  -5.924
  712    HE   ARG  85           HE       ARG  85 -16.491  -0.831  -7.217
  713   HH11  ARG  85          HH11      ARG  85 -15.683   2.225  -5.715
  714   HH12  ARG  85          HH12      ARG  85 -17.139   3.012  -6.235
  715   HH21  ARG  85          HH21      ARG  85 -18.415   0.196  -7.905
  716   HH22  ARG  85          HH22      ARG  85 -18.685   1.864  -7.491
  717    H    LYS  86           HN       LYS  86 -14.649  -5.284  -5.356
  718    HA   LYS  86           HA       LYS  86 -13.117  -4.662  -3.083
  719    HB2  LYS  86           HB2      LYS  86 -15.254  -5.776  -2.913
  720    HB3  LYS  86           HB1      LYS  86 -14.664  -7.147  -3.844
  721    HG2  LYS  86           HG2      LYS  86 -13.005  -7.554  -1.979
  722    HG3  LYS  86           HG1      LYS  86 -13.890  -6.343  -1.039
  723    HD2  LYS  86           HD2      LYS  86 -14.867  -9.010  -2.056
  724    HD3  LYS  86           HD1      LYS  86 -14.746  -8.455  -0.390
  725    HE2  LYS  86           HE2      LYS  86 -16.563  -6.927  -0.682
  726    HE3  LYS  86           HE1      LYS  86 -16.597  -7.205  -2.424
  727    HZ1  LYS  86           HZ1      LYS  86 -17.172  -9.551  -1.913
  728    HZ2  LYS  86           HZ2      LYS  86 -18.350  -8.438  -1.437
  729    HZ3  LYS  86           HZ3      LYS  86 -17.321  -9.124  -0.281
  730    H    GLU  87           HN       GLU  87 -12.744  -7.115  -5.613
  731    HA   GLU  87           HA       GLU  87 -10.420  -8.310  -4.462
  732    HB2  GLU  87           HB2      GLU  87 -11.475  -8.412  -7.290
  733    HB3  GLU  87           HB1      GLU  87 -10.143  -9.383  -6.684
  734    HG2  GLU  87           HG2      GLU  87 -11.819 -10.237  -4.942
  735    HG3  GLU  87           HG1      GLU  87 -13.050  -9.551  -6.002
  736    H    GLU  88           HN       GLU  88 -11.025  -5.724  -6.735
  737    HA   GLU  88           HA       GLU  88  -8.499  -5.458  -7.881
  738    HB2  GLU  88           HB2      GLU  88 -10.604  -3.379  -7.281
  739    HB3  GLU  88           HB1      GLU  88  -9.156  -3.044  -8.217
  740    HG2  GLU  88           HG2      GLU  88 -11.228  -5.102  -8.944
  741    HG3  GLU  88           HG1      GLU  88 -11.153  -3.468  -9.599
  742    H    GLU  89           HN       GLU  89  -9.799  -4.058  -4.898
  743    HA   GLU  89           HA       GLU  89  -7.515  -2.518  -4.283
  744    HB2  GLU  89           HB2      GLU  89  -9.522  -3.686  -2.344
  745    HB3  GLU  89           HB1      GLU  89  -8.423  -2.351  -2.030
  746    HG2  GLU  89           HG2      GLU  89 -10.764  -2.391  -3.916
  747    HG3  GLU  89           HG1      GLU  89 -10.582  -1.445  -2.440
  748    H    HIS  90           HN       HIS  90  -8.450  -5.835  -3.449
  749    HA   HIS  90           HA       HIS  90  -6.256  -6.420  -1.781
  750    HB2  HIS  90           HB2      HIS  90  -8.093  -8.120  -3.436
  751    HB3  HIS  90           HB1      HIS  90  -6.643  -8.845  -2.756
  752    HD1  HIS  90           HD1      HIS  90  -6.527  -9.084  -0.177
  753    HD2  HIS  90           HD2      HIS  90 -10.134  -7.599  -1.598
  754    HE1  HIS  90           HE1      HIS  90  -8.145  -9.312   1.729
  755    HE2  HIS  90           HE2      HIS  90 -10.360  -8.587   0.781
  756    H    THR  91           HN       THR  91  -6.686  -6.732  -5.284
  757    HA   THR  91           HA       THR  91  -4.188  -7.917  -5.822
  758    HB   THR  91           HB       THR  91  -5.799  -6.169  -7.689
  759    HG1  THR  91           HG1      THR  91  -6.448  -8.507  -6.510
  760   HG21  THR  91          HG21      THR  91  -4.823  -7.584  -9.438
  761   HG22  THR  91          HG22      THR  91  -3.901  -8.461  -8.218
  762   HG23  THR  91          HG23      THR  91  -3.570  -6.755  -8.517
  763    H    LEU  92           HN       LEU  92  -5.210  -4.553  -5.559
  764    HA   LEU  92           HA       LEU  92  -2.830  -3.443  -6.669
  765    HB2  LEU  92           HB2      LEU  92  -4.848  -2.142  -6.698
  766    HB3  LEU  92           HB1      LEU  92  -5.015  -2.261  -4.958
  767    HG   LEU  92           HG       LEU  92  -2.919  -0.918  -4.726
  768   HD11  LEU  92          HD11      LEU  92  -3.252  -0.501  -7.693
  769   HD12  LEU  92          HD12      LEU  92  -1.955  -1.415  -6.921
  770   HD13  LEU  92          HD13      LEU  92  -2.097   0.321  -6.645
  771   HD21  LEU  92          HD21      LEU  92  -3.976   1.202  -5.229
  772   HD22  LEU  92          HD22      LEU  92  -5.155   0.077  -4.552
  773   HD23  LEU  92          HD23      LEU  92  -5.136   0.398  -6.286
  774    H    LEU  93           HN       LEU  93  -4.037  -3.802  -3.337
  775    HA   LEU  93           HA       LEU  93  -1.800  -2.613  -2.110
  776    HB2  LEU  93           HB2      LEU  93  -3.777  -4.600  -0.984
  777    HB3  LEU  93           HB1      LEU  93  -2.618  -3.695  -0.033
  778    HG   LEU  93           HG       LEU  93  -4.868  -2.491  -1.647
  779   HD11  LEU  93          HD11      LEU  93  -4.533  -2.853   1.327
  780   HD12  LEU  93          HD12      LEU  93  -5.685  -3.700   0.295
  781   HD13  LEU  93          HD13      LEU  93  -5.836  -1.960   0.542
  782   HD21  LEU  93          HD21      LEU  93  -2.876  -1.220   0.228
  783   HD22  LEU  93          HD22      LEU  93  -4.256  -0.407  -0.509
  784   HD23  LEU  93          HD23      LEU  93  -2.942  -1.008  -1.520
  785    H    ASP  94           HN       ASP  94  -2.455  -5.891  -3.136
  786    HA   ASP  94           HA       ASP  94  -0.362  -7.097  -1.638
  787    HB2  ASP  94           HB2      ASP  94  -2.302  -8.359  -2.606
  788    HB3  ASP  94           HB1      ASP  94  -1.593  -8.132  -4.205
  789    H    LYS  95           HN       LYS  95  -0.561  -5.952  -5.038
  790    HA   LYS  95           HA       LYS  95   2.034  -6.726  -5.750
  791    HB2  LYS  95           HB2      LYS  95   0.138  -5.988  -7.276
  792    HB3  LYS  95           HB1      LYS  95   0.541  -4.332  -6.832
  793    HG2  LYS  95           HG2      LYS  95   1.565  -4.855  -8.948
  794    HG3  LYS  95           HG1      LYS  95   2.832  -4.696  -7.728
  795    HD2  LYS  95           HD2      LYS  95   3.028  -7.089  -7.542
  796    HD3  LYS  95           HD1      LYS  95   1.642  -7.328  -8.604
  797    HE2  LYS  95           HE2      LYS  95   3.767  -7.720  -9.760
  798    HE3  LYS  95           HE1      LYS  95   2.876  -6.376 -10.469
  799    HZ1  LYS  95           HZ1      LYS  95   4.314  -4.833  -9.377
  800    HZ2  LYS  95           HZ2      LYS  95   5.275  -5.953 -10.198
  801    HZ3  LYS  95           HZ3      LYS  95   5.095  -6.067  -8.522
  802    H    LEU  96           HN       LEU  96   0.771  -3.689  -4.438
  803    HA   LEU  96           HA       LEU  96   3.158  -2.263  -4.350
  804    HB2  LEU  96           HB2      LEU  96   0.894  -2.178  -2.353
  805    HB3  LEU  96           HB1      LEU  96   2.159  -0.975  -2.506
  806    HG   LEU  96           HG       LEU  96   0.102  -1.618  -4.620
  807   HD11  LEU  96          HD11      LEU  96   0.359   0.746  -2.768
  808   HD12  LEU  96          HD12      LEU  96  -0.889  -0.499  -2.705
  809   HD13  LEU  96          HD13      LEU  96  -0.801   0.594  -4.087
  810   HD21  LEU  96          HD21      LEU  96   2.196  -0.873  -5.600
  811   HD22  LEU  96          HD22      LEU  96   2.231   0.513  -4.512
  812   HD23  LEU  96          HD23      LEU  96   0.969   0.387  -5.736
  813    H    THR  97           HN       THR  97   1.808  -4.513  -1.952
  814    HA   THR  97           HA       THR  97   3.841  -4.402  -0.065
  815    HB   THR  97           HB       THR  97   2.311  -6.888  -0.874
  816    HG1  THR  97           HG1      THR  97   0.924  -5.096  -0.332
  817   HG21  THR  97          HG21      THR  97   3.625  -6.122   1.739
  818   HG22  THR  97          HG22      THR  97   4.225  -7.325   0.595
  819   HG23  THR  97          HG23      THR  97   2.698  -7.593   1.438
  820    H    GLN  98           HN       GLN  98   3.627  -6.299  -3.050
  821    HA   GLN  98           HA       GLN  98   5.969  -7.810  -2.721
  822    HB2  GLN  98           HB2      GLN  98   4.713  -6.828  -5.290
  823    HB3  GLN  98           HB1      GLN  98   5.897  -8.119  -5.161
  824    HG2  GLN  98           HG2      GLN  98   4.332  -9.479  -3.924
  825    HG3  GLN  98           HG1      GLN  98   3.154  -8.166  -3.925
  826   HE21  GLN  98          HE21      GLN  98   1.604  -9.391  -4.990
  827   HE22  GLN  98          HE22      GLN  98   1.747  -9.780  -6.675
  828    H    GLN  99           HN       GLN  99   5.407  -4.648  -4.196
  829    HA   GLN  99           HA       GLN  99   7.979  -4.236  -5.240
  830    HB2  GLN  99           HB2      GLN  99   5.999  -2.181  -4.239
  831    HB3  GLN  99           HB1      GLN  99   7.393  -1.839  -5.253
  832    HG2  GLN  99           HG2      GLN  99   6.441  -3.195  -7.035
  833    HG3  GLN  99           HG1      GLN  99   5.047  -3.561  -6.018
  834   HE21  GLN  99          HE21      GLN  99   3.599  -2.625  -7.447
  835   HE22  GLN  99          HE22      GLN  99   3.491  -0.916  -7.677
  836    H    LEU 100           HN       LEU 100   6.568  -3.288  -2.133
  837    HA   LEU 100           HA       LEU 100   8.844  -1.820  -1.286
  838    HB2  LEU 100           HB2      LEU 100   6.592  -2.988   0.348
  839    HB3  LEU 100           HB1      LEU 100   7.739  -1.789   0.910
  840    HG   LEU 100           HG       LEU 100   5.647  -1.410  -1.233
  841   HD11  LEU 100          HD11      LEU 100   4.715   0.205   0.348
  842   HD12  LEU 100          HD12      LEU 100   5.958  -0.229   1.520
  843   HD13  LEU 100          HD13      LEU 100   4.761  -1.423   1.024
  844   HD21  LEU 100          HD21      LEU 100   6.392   0.934  -1.262
  845   HD22  LEU 100          HD22      LEU 100   7.638  -0.173  -1.833
  846   HD23  LEU 100          HD23      LEU 100   7.739   0.505  -0.209
  847    H    GLN 101           HN       GLN 101   7.605  -5.038  -0.472
  848    HA   GLN 101           HA       GLN 101   9.579  -5.682   1.418
  849    HB2  GLN 101           HB2      GLN 101   7.413  -6.878   1.151
  850    HB3  GLN 101           HB1      GLN 101   8.002  -7.565  -0.353
  851    HG2  GLN 101           HG2      GLN 101   8.193  -9.194   1.385
  852    HG3  GLN 101           HG1      GLN 101   9.808  -8.683   0.901
  853   HE21  GLN 101          HE21      GLN 101  10.699  -9.363   2.852
  854   HE22  GLN 101          HE22      GLN 101  10.448  -8.507   4.335
  855    H    GLY 102           HN       GLY 102   9.380  -6.215  -2.074
  856    HA2  GLY 102           HA2      GLY 102  11.768  -7.690  -2.350
  857    HA3  GLY 102           HA1      GLY 102  10.990  -6.758  -3.619
  858    H    LEU 103           HN       LEU 103  11.123  -4.210  -2.500
  859    HA   LEU 103           HA       LEU 103  13.779  -3.487  -3.196
  860    HB2  LEU 103           HB2      LEU 103  11.842  -2.035  -3.617
  861    HB3  LEU 103           HB1      LEU 103  11.596  -1.853  -1.891
  862    HG   LEU 103           HG       LEU 103  13.796  -0.711  -1.724
  863   HD11  LEU 103          HD11      LEU 103  14.880  -1.716  -3.660
  864   HD12  LEU 103          HD12      LEU 103  14.902   0.042  -3.768
  865   HD13  LEU 103          HD13      LEU 103  13.755  -0.885  -4.734
  866   HD21  LEU 103          HD21      LEU 103  13.082   1.377  -2.782
  867   HD22  LEU 103          HD22      LEU 103  11.749   0.588  -1.939
  868   HD23  LEU 103          HD23      LEU 103  11.859   0.496  -3.697
  869    H    ALA 104           HN       ALA 104  12.027  -3.627  -0.115
  870    HA   ALA 104           HA       ALA 104  13.911  -2.420   1.532
  871    HB1  ALA 104           HB1      ALA 104  11.650  -2.945   2.266
  872    HB2  ALA 104           HB2      ALA 104  12.842  -3.624   3.375
  873    HB3  ALA 104           HB3      ALA 104  12.022  -4.670   2.214
  874    H    VAL 105           HN       VAL 105  13.570  -5.835   0.662
  875    HA   VAL 105           HA       VAL 105  15.730  -6.750   2.227
  876    HB   VAL 105           HB       VAL 105  14.419  -7.972  -0.199
  877   HG11  VAL 105          HG11      VAL 105  15.433 -10.082   0.526
  878   HG12  VAL 105          HG12      VAL 105  16.335  -9.208   1.764
  879   HG13  VAL 105          HG13      VAL 105  16.646  -8.890   0.056
  880   HG21  VAL 105          HG21      VAL 105  14.087  -8.496   2.747
  881   HG22  VAL 105          HG22      VAL 105  13.304  -9.399   1.453
  882   HG23  VAL 105          HG23      VAL 105  12.923  -7.693   1.695
  883    H    THR 106           HN       THR 106  15.497  -5.617  -1.099
  884    HA   THR 106           HA       THR 106  18.084  -6.351  -1.924
  885    HB   THR 106           HB       THR 106  16.415  -4.038  -2.928
  886    HG1  THR 106           HG1      THR 106  15.157  -5.778  -3.287
  887   HG21  THR 106          HG21      THR 106  17.645  -4.349  -5.022
  888   HG22  THR 106          HG22      THR 106  18.614  -5.617  -4.269
  889   HG23  THR 106          HG23      THR 106  18.736  -3.953  -3.695
  890    H    ILE 107           HN       ILE 107  16.864  -3.570  -0.173
  891    HA   ILE 107           HA       ILE 107  19.292  -2.055  -0.436
  892    HB   ILE 107           HB       ILE 107  16.975  -1.649   1.455
  893   HG12  ILE 107          HG12      ILE 107  17.571  -0.246  -1.159
  894   HG13  ILE 107          HG11      ILE 107  16.398  -1.547  -0.982
  895   HG21  ILE 107          HG21      ILE 107  19.228   0.196   0.676
  896   HG22  ILE 107          HG22      ILE 107  18.974  -0.548   2.256
  897   HG23  ILE 107          HG23      ILE 107  17.830   0.650   1.649
  898   HD11  ILE 107          HD11      ILE 107  16.293   1.112   0.417
  899   HD12  ILE 107          HD12      ILE 107  15.107  -0.184   0.561
  900   HD13  ILE 107          HD13      ILE 107  15.333   0.639  -0.984
  901    H    SER 108           HN       SER 108  17.808  -4.083   2.056
  902    HA   SER 108           HA       SER 108  19.823  -3.366   3.986
  903    HB2  SER 108           HB2      SER 108  18.588  -5.116   5.391
  904    HB3  SER 108           HB1      SER 108  17.683  -3.679   4.916
  905    HG   SER 108           HG       SER 108  16.605  -4.852   3.388
  906    H    ARG 109           HN       ARG 109  19.269  -5.985   1.750
  907    HA   ARG 109           HA       ARG 109  21.434  -7.525   2.953
  908    HB2  ARG 109           HB2      ARG 109  19.534  -8.158   0.699
  909    HB3  ARG 109           HB1      ARG 109  20.927  -9.163   1.072
  910    HG2  ARG 109           HG2      ARG 109  20.026  -9.427   3.381
  911    HG3  ARG 109           HG1      ARG 109  18.572  -8.582   2.849
  912    HD2  ARG 109           HD2      ARG 109  18.178 -10.303   1.165
  913    HD3  ARG 109           HD1      ARG 109  19.651 -11.135   1.658
  914    HE   ARG 109           HE       ARG 109  18.210 -10.961   3.950
  915   HH11  ARG 109          HH11      ARG 109  17.501 -12.195   0.747
  916   HH12  ARG 109          HH12      ARG 109  16.402 -13.408   1.326
  917   HH21  ARG 109          HH21      ARG 109  16.772 -12.552   4.709
  918   HH22  ARG 109          HH22      ARG 109  15.994 -13.615   3.582
  919    H    GLU 110           HN       GLU 110  23.273  -8.142   1.800
  920    HA   GLU 110           HA       GLU 110  25.133  -7.743   0.574
  921    HB2  GLU 110           HB2      GLU 110  23.236  -6.535  -1.451
  922    HB3  GLU 110           HB1      GLU 110  24.893  -7.030  -1.756
  923    HG2  GLU 110           HG2      GLU 110  22.581  -8.821  -1.047
  924    HG3  GLU 110           HG1      GLU 110  23.372  -8.683  -2.617
  925    H    ASN 111           HN       ASN 111  24.197  -5.863   2.498
  926    HA   ASN 111           HA       ASN 111  25.375  -3.365   1.468
  927    HB2  ASN 111           HB2      ASN 111  22.913  -3.346   2.267
  928    HB3  ASN 111           HB1      ASN 111  23.570  -3.552   3.886
  929   HD21  ASN 111          HD21      ASN 111  24.773  -1.878   4.813
  930   HD22  ASN 111          HD22      ASN 111  24.694  -0.258   4.208
  931    H    ILE 112           HN       ILE 112  27.243  -4.968   2.036
  932    HA   ILE 112           HA       ILE 112  27.753  -5.237   4.869
  933    HB   ILE 112           HB       ILE 112  29.570  -6.081   2.619
  934   HG12  ILE 112          HG12      ILE 112  27.448  -7.734   4.002
  935   HG13  ILE 112          HG11      ILE 112  27.272  -7.056   2.394
  936   HG21  ILE 112          HG21      ILE 112  30.445  -7.642   4.272
  937   HG22  ILE 112          HG22      ILE 112  29.291  -7.038   5.462
  938   HG23  ILE 112          HG23      ILE 112  30.565  -5.981   4.855
  939   HD11  ILE 112          HD11      ILE 112  29.337  -9.065   3.245
  940   HD12  ILE 112          HD12      ILE 112  29.163  -8.387   1.626
  941   HD13  ILE 112          HD13      ILE 112  27.885  -9.397   2.301
  942    H    THR 113           HN       THR 113  27.926  -2.951   5.277
  943    HA   THR 113           HA       THR 113  30.479  -1.774   4.474
  944    HB   THR 113           HB       THR 113  29.586   0.193   5.864
  945    HG1  THR 113           HG1      THR 113  27.212   0.097   5.993
  946   HG21  THR 113          HG21      THR 113  29.593   0.212   3.421
  947   HG22  THR 113          HG22      THR 113  28.132   0.971   4.048
  948   HG23  THR 113          HG23      THR 113  28.064  -0.667   3.400
  949    H    GLU 114           HN       GLU 114  28.690  -1.858   7.540
  950    HA   GLU 114           HA       GLU 114  31.099  -2.932   8.839
  951    HB2  GLU 114           HB2      GLU 114  30.411  -1.767  10.890
  952    HB3  GLU 114           HB1      GLU 114  30.686  -0.641   9.576
  953    HG2  GLU 114           HG2      GLU 114  28.304  -0.450   9.196
  954    HG3  GLU 114           HG1      GLU 114  27.995  -1.640  10.460
  955    H    VAL 115           HN       VAL 115  28.419  -3.916   7.633
  956    HA   VAL 115           HA       VAL 115  27.156  -5.181   9.907
  957    HB   VAL 115           HB       VAL 115  26.500  -5.584   6.992
  958   HG11  VAL 115          HG11      VAL 115  24.872  -5.973   9.499
  959   HG12  VAL 115          HG12      VAL 115  25.540  -7.246   8.479
  960   HG13  VAL 115          HG13      VAL 115  24.280  -6.185   7.851
  961   HG21  VAL 115          HG21      VAL 115  24.767  -3.861   7.291
  962   HG22  VAL 115          HG22      VAL 115  26.396  -3.209   7.466
  963   HG23  VAL 115          HG23      VAL 115  25.411  -3.515   8.896
  964    H    GLY 116           HN       GLY 116  28.966  -6.449  10.565
  965    HA2  GLY 116           HA2      GLY 116  29.000  -9.065  10.185
  966    HA3  GLY 116           HA1      GLY 116  29.878  -8.541   8.752
  967    H    ALA 117           HN       ALA 117  31.868  -9.370   9.288
  968    HA   ALA 117           HA       ALA 117  33.311  -7.850  11.309
  969    HB1  ALA 117           HB1      ALA 117  33.266 -10.867  11.291
  970    HB2  ALA 117           HB2      ALA 117  32.579  -9.822  12.536
  971    HB3  ALA 117           HB3      ALA 117  34.324  -9.865  12.283
  972    HA   PRO 118           HA       PRO 118  36.078  -8.257   7.796
  973    HB2  PRO 118           HB2      PRO 118  37.591  -6.117   8.325
  974    HB3  PRO 118           HB1      PRO 118  35.933  -5.943   7.738
  975    HG2  PRO 118           HG2      PRO 118  37.005  -5.641  10.507
  976    HG3  PRO 118           HG1      PRO 118  35.757  -4.695   9.681
  977    HD2  PRO 118           HD2      PRO 118  35.288  -6.756  11.488
  978    HD3  PRO 118           HD1      PRO 118  34.111  -6.131  10.319
  979    H    THR 119           HN       THR 119  36.433  -9.680  10.420
  980    HA   THR 119           HA       THR 119  39.227 -10.265  10.101
  981    HB   THR 119           HB       THR 119  39.504  -8.478  11.644
  982    HG1  THR 119           HG1      THR 119  39.520 -10.830  13.251
  983   HG21  THR 119          HG21      THR 119  37.371  -9.753  13.359
  984   HG22  THR 119          HG22      THR 119  37.226  -8.245  12.458
  985   HG23  THR 119          HG23      THR 119  38.348  -8.356  13.814
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1 -28.454  19.322   4.277
    2    H2   GLY   1           HT2      GLY   1 -27.730  19.044   2.775
    3    H3   GLY   1           HT3      GLY   1 -29.400  19.292   2.876
    4    HA2  GLY   1           HA1      GLY   1 -27.328  21.306   3.539
    5    HA3  GLY   1           HA2      GLY   1 -28.250  21.264   2.045
    6    HA   PRO   2           HA       PRO   2 -30.458  24.006   5.080
    7    HB2  PRO   2           HB2      PRO   2 -31.067  25.956   3.286
    8    HB3  PRO   2           HB1      PRO   2 -29.546  25.907   4.185
    9    HG2  PRO   2           HG2      PRO   2 -30.122  25.039   1.381
   10    HG3  PRO   2           HG1      PRO   2 -28.726  25.932   2.014
   11    HD2  PRO   2           HD2      PRO   2 -28.643  23.280   1.483
   12    HD3  PRO   2           HD1      PRO   2 -27.697  24.021   2.788
   13    H    MET   3           HN       MET   3 -31.280  22.743   1.927
   14    HA   MET   3           HA       MET   3 -34.109  23.294   2.245
   15    HB2  MET   3           HB2      MET   3 -32.696  21.595   0.177
   16    HB3  MET   3           HB1      MET   3 -34.382  22.081   0.128
   17    HG2  MET   3           HG2      MET   3 -33.687  24.427  -0.042
   18    HG3  MET   3           HG1      MET   3 -32.001  23.915  -0.038
   19    HE1  MET   3           HE1      MET   3 -30.909  22.427  -1.969
   20    HE2  MET   3           HE2      MET   3 -31.792  21.874  -3.393
   21    HE3  MET   3           HE3      MET   3 -32.191  21.228  -1.803
   22    H    ALA   4           HN       ALA   4 -32.187  20.332   1.818
   23    HA   ALA   4           HA       ALA   4 -33.842  18.995   3.819
   24    HB1  ALA   4           HB1      ALA   4 -34.170  17.042   2.371
   25    HB2  ALA   4           HB2      ALA   4 -33.392  17.902   1.042
   26    HB3  ALA   4           HB3      ALA   4 -34.925  18.485   1.692
   27    H    MET   5           HN       MET   5 -32.823  17.217   4.800
   28    HA   MET   5           HA       MET   5 -29.924  17.135   4.364
   29    HB2  MET   5           HB2      MET   5 -31.639  16.407   6.728
   30    HB3  MET   5           HB1      MET   5 -29.955  15.920   6.617
   31    HG2  MET   5           HG2      MET   5 -30.996  18.743   6.610
   32    HG3  MET   5           HG1      MET   5 -30.189  17.926   7.948
   33    HE1  MET   5           HE1      MET   5 -29.165  20.729   7.032
   34    HE2  MET   5           HE2      MET   5 -27.426  20.455   6.956
   35    HE3  MET   5           HE3      MET   5 -28.372  19.754   8.268
   36    H    LEU   6           HN       LEU   6 -29.383  15.612   2.953
   37    HA   LEU   6           HA       LEU   6 -30.940  13.202   2.645
   38    HB2  LEU   6           HB2      LEU   6 -28.430  14.197   1.293
   39    HB3  LEU   6           HB1      LEU   6 -29.125  12.626   0.957
   40    HG   LEU   6           HG       LEU   6 -29.796  14.113  -0.780
   41   HD11  LEU   6          HD11      LEU   6 -31.488  12.531  -0.008
   42   HD12  LEU   6          HD12      LEU   6 -32.209  14.012  -0.636
   43   HD13  LEU   6          HD13      LEU   6 -32.115  13.748   1.104
   44   HD21  LEU   6          HD21      LEU   6 -31.045  16.173  -0.370
   45   HD22  LEU   6          HD22      LEU   6 -29.434  16.238   0.343
   46   HD23  LEU   6          HD23      LEU   6 -30.841  15.951   1.366
   47    H    ALA   7           HN       ALA   7 -30.722  12.088   4.555
   48    HA   ALA   7           HA       ALA   7 -28.202  11.490   5.736
   49    HB1  ALA   7           HB1      ALA   7 -30.283  11.565   7.028
   50    HB2  ALA   7           HB2      ALA   7 -29.455  10.017   7.199
   51    HB3  ALA   7           HB3      ALA   7 -30.868  10.150   6.153
   52    H    ARG   8           HN       ARG   8 -26.759  10.281   4.682
   53    HA   ARG   8           HA       ARG   8 -27.506   7.619   3.838
   54    HB2  ARG   8           HB2      ARG   8 -27.959   8.962   1.833
   55    HB3  ARG   8           HB1      ARG   8 -26.318   9.588   1.882
   56    HG2  ARG   8           HG2      ARG   8 -25.412   7.419   1.407
   57    HG3  ARG   8           HG1      ARG   8 -27.009   6.678   1.539
   58    HD2  ARG   8           HD2      ARG   8 -26.151   8.710  -0.517
   59    HD3  ARG   8           HD1      ARG   8 -26.382   6.984  -0.797
   60    HE   ARG   8           HE       ARG   8 -28.781   7.579   0.055
   61   HH11  ARG   8          HH11      ARG   8 -26.753   9.432  -2.112
   62   HH12  ARG   8          HH12      ARG   8 -28.087  10.196  -2.912
   63   HH21  ARG   8          HH21      ARG   8 -30.542   8.589  -0.990
   64   HH22  ARG   8          HH22      ARG   8 -30.244   9.721  -2.272
   65    H    ARG   9           HN       ARG   9 -26.113   6.639   5.163
   66    HA   ARG   9           HA       ARG   9 -23.324   7.511   5.189
   67    HB2  ARG   9           HB2      ARG   9 -24.848   5.567   6.916
   68    HB3  ARG   9           HB1      ARG   9 -23.110   5.795   7.026
   69    HG2  ARG   9           HG2      ARG   9 -23.499   8.183   7.537
   70    HG3  ARG   9           HG1      ARG   9 -25.234   7.859   7.547
   71    HD2  ARG   9           HD2      ARG   9 -24.342   7.842   9.807
   72    HD3  ARG   9           HD1      ARG   9 -24.920   6.240   9.350
   73    HE   ARG   9           HE       ARG   9 -22.145   6.507   8.799
   74   HH11  ARG   9          HH11      ARG   9 -24.420   6.038  11.421
   75   HH12  ARG   9          HH12      ARG   9 -23.272   5.225  12.442
   76   HH21  ARG   9          HH21      ARG   9 -20.629   5.449  10.147
   77   HH22  ARG   9          HH22      ARG   9 -21.125   4.889  11.712
   78    H    GLN  10           HN       GLN  10 -21.650   5.802   5.138
   79    HA   GLN  10           HA       GLN  10 -20.494   4.312   3.888
   80    HB2  GLN  10           HB2      GLN  10 -23.072   2.767   4.190
   81    HB3  GLN  10           HB1      GLN  10 -21.585   2.083   3.551
   82    HG2  GLN  10           HG2      GLN  10 -20.469   2.641   5.690
   83    HG3  GLN  10           HG1      GLN  10 -22.027   3.171   6.320
   84   HE21  GLN  10          HE21      GLN  10 -20.247   1.026   7.199
   85   HE22  GLN  10          HE22      GLN  10 -21.195  -0.418   7.168
   86    H    ARG  11           HN       ARG  11 -21.560   6.355   2.413
   87    HA   ARG  11           HA       ARG  11 -22.893   5.379   0.079
   88    HB2  ARG  11           HB2      ARG  11 -23.142   7.715   0.844
   89    HB3  ARG  11           HB1      ARG  11 -21.435   7.994   0.530
   90    HG2  ARG  11           HG2      ARG  11 -21.800   7.572  -1.847
   91    HG3  ARG  11           HG1      ARG  11 -23.512   7.292  -1.533
   92    HD2  ARG  11           HD2      ARG  11 -23.124   9.552  -2.373
   93    HD3  ARG  11           HD1      ARG  11 -23.747   9.582  -0.725
   94    HE   ARG  11           HE       ARG  11 -20.971   9.641  -0.564
   95   HH11  ARG  11          HH11      ARG  11 -23.538  11.667  -1.806
   96   HH12  ARG  11          HH12      ARG  11 -22.677  13.146  -1.529
   97   HH21  ARG  11          HH21      ARG  11 -19.835  11.580  -0.190
   98   HH22  ARG  11          HH22      ARG  11 -20.562  13.096  -0.626
   99    H    ASP  12           HN       ASP  12 -21.730   3.781  -0.838
  100    HA   ASP  12           HA       ASP  12 -20.108   2.669  -1.977
  101    HB2  ASP  12           HB2      ASP  12 -20.479   4.760  -3.453
  102    HB3  ASP  12           HB1      ASP  12 -18.940   5.317  -2.804
  103    HA   PRO  13           HA       PRO  13 -17.165   3.389   1.566
  104    HB2  PRO  13           HB2      PRO  13 -17.206   0.427   1.489
  105    HB3  PRO  13           HB1      PRO  13 -17.395   1.515   2.868
  106    HG2  PRO  13           HG2      PRO  13 -19.484   0.177   1.876
  107    HG3  PRO  13           HG1      PRO  13 -19.656   1.840   2.471
  108    HD2  PRO  13           HD2      PRO  13 -19.474   0.841  -0.346
  109    HD3  PRO  13           HD1      PRO  13 -20.505   2.119   0.335
  110    H    LEU  14           HN       LEU  14 -17.099   1.305  -1.252
  111    HA   LEU  14           HA       LEU  14 -14.355   0.642  -1.203
  112    HB2  LEU  14           HB2      LEU  14 -16.131   0.964  -3.630
  113    HB3  LEU  14           HB1      LEU  14 -14.583   0.130  -3.585
  114    HG   LEU  14           HG       LEU  14 -17.126  -0.727  -2.195
  115   HD11  LEU  14          HD11      LEU  14 -17.013  -2.634  -3.699
  116   HD12  LEU  14          HD12      LEU  14 -15.565  -1.970  -4.450
  117   HD13  LEU  14          HD13      LEU  14 -17.105  -1.124  -4.603
  118   HD21  LEU  14          HD21      LEU  14 -15.260  -1.291  -0.782
  119   HD22  LEU  14          HD22      LEU  14 -14.372  -1.952  -2.154
  120   HD23  LEU  14          HD23      LEU  14 -15.836  -2.752  -1.585
  121    H    GLN  15           HN       GLN  15 -16.107   3.302  -2.789
  122    HA   GLN  15           HA       GLN  15 -13.888   4.507  -4.003
  123    HB2  GLN  15           HB2      GLN  15 -16.204   5.128  -4.531
  124    HB3  GLN  15           HB1      GLN  15 -16.394   5.819  -2.926
  125    HG2  GLN  15           HG2      GLN  15 -14.556   7.416  -3.485
  126    HG3  GLN  15           HG1      GLN  15 -14.602   6.797  -5.135
  127   HE21  GLN  15          HE21      GLN  15 -17.509   6.428  -5.044
  128   HE22  GLN  15          HE22      GLN  15 -18.192   8.011  -5.177
  129    H    ALA  16           HN       ALA  16 -15.301   5.044  -0.784
  130    HA   ALA  16           HA       ALA  16 -13.580   7.148  -0.032
  131    HB1  ALA  16           HB1      ALA  16 -15.002   5.170   1.746
  132    HB2  ALA  16           HB2      ALA  16 -15.696   6.662   1.113
  133    HB3  ALA  16           HB3      ALA  16 -14.339   6.729   2.237
  134    H    LEU  17           HN       LEU  17 -13.444   3.661   0.600
  135    HA   LEU  17           HA       LEU  17 -10.987   3.708   1.979
  136    HB2  LEU  17           HB2      LEU  17 -12.624   1.827   1.985
  137    HB3  LEU  17           HB1      LEU  17 -12.142   1.450   0.343
  138    HG   LEU  17           HG       LEU  17  -9.894   0.892   1.091
  139   HD11  LEU  17          HD11      LEU  17  -9.659   2.457   2.923
  140   HD12  LEU  17          HD12      LEU  17  -9.361   0.813   3.488
  141   HD13  LEU  17          HD13      LEU  17 -10.897   1.602   3.843
  142   HD21  LEU  17          HD21      LEU  17 -10.433  -1.093   2.418
  143   HD22  LEU  17          HD22      LEU  17 -11.579  -0.863   1.097
  144   HD23  LEU  17          HD23      LEU  17 -12.035  -0.434   2.746
  145    H    ARG  18           HN       ARG  18 -11.790   3.439  -1.434
  146    HA   ARG  18           HA       ARG  18  -9.245   2.841  -2.438
  147    HB2  ARG  18           HB2      ARG  18 -11.425   2.825  -3.717
  148    HB3  ARG  18           HB1      ARG  18 -11.309   4.577  -3.799
  149    HG2  ARG  18           HG2      ARG  18  -9.180   4.361  -5.007
  150    HG3  ARG  18           HG1      ARG  18  -9.353   2.606  -4.960
  151    HD2  ARG  18           HD2      ARG  18 -10.104   3.397  -7.099
  152    HD3  ARG  18           HD1      ARG  18 -11.499   2.836  -6.180
  153    HE   ARG  18           HE       ARG  18 -10.854   5.693  -6.168
  154   HH11  ARG  18          HH11      ARG  18 -12.972   3.087  -7.151
  155   HH12  ARG  18          HH12      ARG  18 -14.243   4.144  -7.673
  156   HH21  ARG  18          HH21      ARG  18 -12.540   7.097  -6.847
  157   HH22  ARG  18          HH22      ARG  18 -14.003   6.419  -7.490
  158    H    ARG  19           HN       ARG  19 -10.711   5.891  -1.474
  159    HA   ARG  19           HA       ARG  19  -8.699   7.607  -2.452
  160    HB2  ARG  19           HB2      ARG  19 -10.479   7.926  -0.024
  161    HB3  ARG  19           HB1      ARG  19  -9.534   9.213  -0.757
  162    HG2  ARG  19           HG2      ARG  19 -11.801   7.718  -2.056
  163    HG3  ARG  19           HG1      ARG  19 -11.865   9.353  -1.405
  164    HD2  ARG  19           HD2      ARG  19 -10.202   8.403  -3.732
  165    HD3  ARG  19           HD1      ARG  19 -11.633   9.430  -3.810
  166    HE   ARG  19           HE       ARG  19  -9.780  10.688  -2.150
  167   HH11  ARG  19          HH11      ARG  19 -10.142   9.810  -5.517
  168   HH12  ARG  19          HH12      ARG  19  -9.098  11.070  -6.091
  169   HH21  ARG  19          HH21      ARG  19  -8.406  12.346  -2.896
  170   HH22  ARG  19          HH22      ARG  19  -8.110  12.516  -4.598
  171    H    ARG  20           HN       ARG  20  -9.079   5.849   0.574
  172    HA   ARG  20           HA       ARG  20  -6.730   6.812   1.823
  173    HB2  ARG  20           HB2      ARG  20  -8.598   5.744   3.043
  174    HB3  ARG  20           HB1      ARG  20  -8.211   4.211   2.276
  175    HG2  ARG  20           HG2      ARG  20  -6.043   4.189   3.389
  176    HG3  ARG  20           HG1      ARG  20  -6.404   5.748   4.127
  177    HD2  ARG  20           HD2      ARG  20  -8.261   4.775   5.349
  178    HD3  ARG  20           HD1      ARG  20  -7.993   3.218   4.562
  179    HE   ARG  20           HE       ARG  20  -5.645   4.107   5.900
  180   HH11  ARG  20          HH11      ARG  20  -8.806   2.741   6.543
  181   HH12  ARG  20          HH12      ARG  20  -8.287   1.886   7.963
  182   HH21  ARG  20          HH21      ARG  20  -4.963   2.980   7.764
  183   HH22  ARG  20          HH22      ARG  20  -6.105   2.019   8.651
  184    H    ASN  21           HN       ASN  21  -7.410   3.956  -0.174
  185    HA   ASN  21           HA       ASN  21  -4.807   2.851  -0.037
  186    HB2  ASN  21           HB2      ASN  21  -6.982   2.550  -2.118
  187    HB3  ASN  21           HB1      ASN  21  -5.459   1.675  -2.184
  188   HD21  ASN  21          HD21      ASN  21  -8.152   0.638  -1.946
  189   HD22  ASN  21          HD22      ASN  21  -8.178  -0.286  -0.488
  190    H    GLN  22           HN       GLN  22  -6.290   5.154  -2.280
  191    HA   GLN  22           HA       GLN  22  -4.162   5.349  -4.102
  192    HB2  GLN  22           HB2      GLN  22  -6.403   6.246  -4.560
  193    HB3  GLN  22           HB1      GLN  22  -6.182   7.455  -3.303
  194    HG2  GLN  22           HG2      GLN  22  -4.265   8.364  -4.598
  195    HG3  GLN  22           HG1      GLN  22  -4.656   7.227  -5.887
  196   HE21  GLN  22          HE21      GLN  22  -4.627  10.137  -5.948
  197   HE22  GLN  22          HE22      GLN  22  -6.219  10.630  -6.401
  198    H    GLU  23           HN       GLU  23  -4.698   6.749  -0.974
  199    HA   GLU  23           HA       GLU  23  -2.779   8.832  -1.128
  200    HB2  GLU  23           HB2      GLU  23  -4.641   8.701   0.534
  201    HB3  GLU  23           HB1      GLU  23  -3.805   7.367   1.312
  202    HG2  GLU  23           HG2      GLU  23  -1.923   8.843   1.810
  203    HG3  GLU  23           HG1      GLU  23  -2.782  10.181   1.044
  204    H    LEU  24           HN       LEU  24  -2.730   5.542   0.218
  205    HA   LEU  24           HA       LEU  24   0.016   5.561   0.909
  206    HB2  LEU  24           HB2      LEU  24  -1.825   3.251   0.295
  207    HB3  LEU  24           HB1      LEU  24  -0.198   3.074   0.917
  208    HG   LEU  24           HG       LEU  24  -2.503   4.401   2.349
  209   HD11  LEU  24          HD11      LEU  24  -2.283   2.501   3.880
  210   HD12  LEU  24          HD12      LEU  24  -1.048   1.807   2.832
  211   HD13  LEU  24          HD13      LEU  24  -2.704   1.984   2.247
  212   HD21  LEU  24          HD21      LEU  24  -0.955   4.496   4.261
  213   HD22  LEU  24          HD22      LEU  24  -0.411   5.496   2.914
  214   HD23  LEU  24          HD23      LEU  24   0.349   3.933   3.216
  215    H    LYS  25           HN       LYS  25  -1.731   4.630  -2.007
  216    HA   LYS  25           HA       LYS  25   0.363   3.413  -3.390
  217    HB2  LYS  25           HB2      LYS  25  -1.999   3.378  -4.118
  218    HB3  LYS  25           HB1      LYS  25  -1.885   5.081  -4.536
  219    HG2  LYS  25           HG2      LYS  25  -0.172   4.539  -6.210
  220    HG3  LYS  25           HG1      LYS  25  -0.335   2.831  -5.801
  221    HD2  LYS  25           HD2      LYS  25  -2.675   2.883  -6.483
  222    HD3  LYS  25           HD1      LYS  25  -2.531   4.599  -6.871
  223    HE2  LYS  25           HE2      LYS  25  -0.838   4.072  -8.556
  224    HE3  LYS  25           HE1      LYS  25  -0.988   2.359  -8.170
  225    HZ1  LYS  25           HZ1      LYS  25  -2.261   2.914 -10.127
  226    HZ2  LYS  25           HZ2      LYS  25  -3.131   4.087  -9.276
  227    HZ3  LYS  25           HZ3      LYS  25  -3.303   2.453  -8.878
  228    H    GLN  26           HN       GLN  26  -0.599   6.820  -3.239
  229    HA   GLN  26           HA       GLN  26   1.369   7.781  -5.020
  230    HB2  GLN  26           HB2      GLN  26  -0.669   9.043  -4.327
  231    HB3  GLN  26           HB1      GLN  26   0.053   9.269  -2.741
  232    HG2  GLN  26           HG2      GLN  26   0.368  11.259  -4.022
  233    HG3  GLN  26           HG1      GLN  26   1.930  10.470  -3.811
  234   HE21  GLN  26          HE21      GLN  26   1.079  12.391  -5.813
  235   HE22  GLN  26          HE22      GLN  26   1.326  11.637  -7.348
  236    H    GLN  27           HN       GLN  27   1.364   7.083  -1.592
  237    HA   GLN  27           HA       GLN  27   3.827   8.387  -1.013
  238    HB2  GLN  27           HB2      GLN  27   2.268   6.259   0.452
  239    HB3  GLN  27           HB1      GLN  27   3.747   6.978   1.080
  240    HG2  GLN  27           HG2      GLN  27   2.690   9.177   1.075
  241    HG3  GLN  27           HG1      GLN  27   1.217   8.470   0.418
  242   HE21  GLN  27          HE21      GLN  27   3.188   6.914   2.855
  243   HE22  GLN  27          HE22      GLN  27   2.054   7.070   4.144
  244    H    VAL  28           HN       VAL  28   2.908   5.185  -2.120
  245    HA   VAL  28           HA       VAL  28   5.444   3.958  -1.742
  246    HB   VAL  28           HB       VAL  28   3.204   3.261  -3.657
  247   HG11  VAL  28          HG11      VAL  28   5.308   2.357  -4.461
  248   HG12  VAL  28          HG12      VAL  28   4.290   1.064  -3.827
  249   HG13  VAL  28          HG13      VAL  28   5.641   1.670  -2.872
  250   HG21  VAL  28          HG21      VAL  28   2.682   1.496  -2.041
  251   HG22  VAL  28          HG22      VAL  28   2.561   3.094  -1.303
  252   HG23  VAL  28          HG23      VAL  28   3.970   2.079  -0.987
  253    H    ASP  29           HN       ASP  29   3.854   5.503  -4.535
  254    HA   ASP  29           HA       ASP  29   5.954   5.274  -6.370
  255    HB2  ASP  29           HB2      ASP  29   3.775   7.336  -6.064
  256    HB3  ASP  29           HB1      ASP  29   4.982   7.460  -7.339
  257    H    SER  30           HN       SER  30   5.382   7.596  -3.804
  258    HA   SER  30           HA       SER  30   7.478   9.374  -4.500
  259    HB2  SER  30           HB2      SER  30   6.160   8.924  -1.810
  260    HB3  SER  30           HB1      SER  30   7.137  10.320  -2.258
  261    HG   SER  30           HG       SER  30   4.681   9.526  -3.466
  262    H    LEU  31           HN       LEU  31   7.271   6.567  -2.379
  263    HA   LEU  31           HA       LEU  31   9.829   6.775  -1.216
  264    HB2  LEU  31           HB2      LEU  31   7.892   5.304  -0.479
  265    HB3  LEU  31           HB1      LEU  31   8.311   4.226  -1.790
  266    HG   LEU  31           HG       LEU  31   9.113   3.530   0.488
  267   HD11  LEU  31          HD11      LEU  31  11.365   2.869  -0.253
  268   HD12  LEU  31          HD12      LEU  31  11.203   3.948  -1.639
  269   HD13  LEU  31          HD13      LEU  31  10.126   2.561  -1.469
  270   HD21  LEU  31          HD21      LEU  31  11.052   5.807   0.138
  271   HD22  LEU  31          HD22      LEU  31  11.052   4.611   1.434
  272   HD23  LEU  31          HD23      LEU  31   9.724   5.761   1.296
  273    H    LEU  32           HN       LEU  32   8.636   4.944  -4.012
  274    HA   LEU  32           HA       LEU  32  11.056   3.840  -4.828
  275    HB2  LEU  32           HB2      LEU  32   8.667   4.673  -6.475
  276    HB3  LEU  32           HB1      LEU  32   9.953   3.623  -7.037
  277    HG   LEU  32           HG       LEU  32   8.099   2.995  -4.741
  278   HD11  LEU  32          HD11      LEU  32   7.085   1.378  -6.271
  279   HD12  LEU  32          HD12      LEU  32   8.115   1.969  -7.574
  280   HD13  LEU  32          HD13      LEU  32   6.902   3.031  -6.858
  281   HD21  LEU  32          HD21      LEU  32   9.032   0.731  -4.949
  282   HD22  LEU  32          HD22      LEU  32  10.252   1.920  -4.496
  283   HD23  LEU  32          HD23      LEU  32  10.173   1.327  -6.155
  284    H    SER  33           HN       SER  33   9.630   6.988  -5.462
  285    HA   SER  33           HA       SER  33  11.360   7.827  -7.503
  286    HB2  SER  33           HB2      SER  33   9.256   8.996  -6.897
  287    HB3  SER  33           HB1      SER  33  10.005   9.532  -5.394
  288    HG   SER  33           HG       SER  33  10.716  10.225  -8.052
  289    H    GLU  34           HN       GLU  34  11.647   7.968  -3.972
  290    HA   GLU  34           HA       GLU  34  14.082   9.504  -4.074
  291    HB2  GLU  34           HB2      GLU  34  12.801   8.033  -1.766
  292    HB3  GLU  34           HB1      GLU  34  14.149   9.157  -1.648
  293    HG2  GLU  34           HG2      GLU  34  12.703  10.944  -2.525
  294    HG3  GLU  34           HG1      GLU  34  11.355   9.808  -2.548
  295    H    SER  35           HN       SER  35  13.116   6.173  -3.797
  296    HA   SER  35           HA       SER  35  15.671   5.111  -3.134
  297    HB2  SER  35           HB2      SER  35  13.547   3.926  -2.660
  298    HB3  SER  35           HB1      SER  35  13.277   3.739  -4.391
  299    HG   SER  35           HG       SER  35  15.731   2.842  -3.723
  300    H    GLN  36           HN       GLN  36  14.548   6.518  -5.937
  301    HA   GLN  36           HA       GLN  36  16.004   4.733  -7.742
  302    HB2  GLN  36           HB2      GLN  36  13.637   5.378  -8.265
  303    HB3  GLN  36           HB1      GLN  36  14.161   7.050  -8.382
  304    HG2  GLN  36           HG2      GLN  36  15.690   6.364 -10.221
  305    HG3  GLN  36           HG1      GLN  36  14.962   4.760 -10.156
  306   HE21  GLN  36          HE21      GLN  36  12.827   4.487 -10.828
  307   HE22  GLN  36          HE22      GLN  36  12.018   5.676 -11.789
  308    H    LEU  37           HN       LEU  37  16.340   7.514  -5.943
  309    HA   LEU  37           HA       LEU  37  17.896   9.116  -7.713
  310    HB2  LEU  37           HB2      LEU  37  17.723   9.131  -4.698
  311    HB3  LEU  37           HB1      LEU  37  18.481  10.375  -5.671
  312    HG   LEU  37           HG       LEU  37  15.544   9.688  -5.773
  313   HD11  LEU  37          HD11      LEU  37  16.136  10.612  -3.604
  314   HD12  LEU  37          HD12      LEU  37  15.213  11.780  -4.550
  315   HD13  LEU  37          HD13      LEU  37  16.960  11.959  -4.389
  316   HD21  LEU  37          HD21      LEU  37  15.393  11.870  -6.939
  317   HD22  LEU  37          HD22      LEU  37  16.282  10.648  -7.843
  318   HD23  LEU  37          HD23      LEU  37  17.155  11.921  -6.991
  319    H    LYS  38           HN       LYS  38  20.051   9.199  -7.977
  320    HA   LYS  38           HA       LYS  38  21.603   6.916  -7.273
  321    HB2  LYS  38           HB2      LYS  38  22.622   9.537  -8.376
  322    HB3  LYS  38           HB1      LYS  38  23.378   7.955  -8.518
  323    HG2  LYS  38           HG2      LYS  38  21.423   7.216  -9.873
  324    HG3  LYS  38           HG1      LYS  38  20.832   8.878  -9.838
  325    HD2  LYS  38           HD2      LYS  38  22.981   9.593 -10.871
  326    HD3  LYS  38           HD1      LYS  38  23.421   7.894 -11.025
  327    HE2  LYS  38           HE2      LYS  38  21.070   9.278 -12.299
  328    HE3  LYS  38           HE1      LYS  38  22.517   8.692 -13.114
  329    HZ1  LYS  38           HZ1      LYS  38  20.443   7.042 -11.779
  330    HZ2  LYS  38           HZ2      LYS  38  21.887   6.428 -12.409
  331    HZ3  LYS  38           HZ3      LYS  38  20.752   7.138 -13.440
  332    H    GLU  39           HN       GLU  39  21.193  10.130  -6.027
  333    HA   GLU  39           HA       GLU  39  23.411  10.153  -4.256
  334    HB2  GLU  39           HB2      GLU  39  20.832  11.707  -4.350
  335    HB3  GLU  39           HB1      GLU  39  21.981  11.916  -3.039
  336    HG2  GLU  39           HG2      GLU  39  22.248  13.633  -4.729
  337    HG3  GLU  39           HG1      GLU  39  23.687  12.623  -4.618
  338    H    ALA  40           HN       ALA  40  20.459   8.482  -4.230
  339    HA   ALA  40           HA       ALA  40  20.169   8.334  -1.374
  340    HB1  ALA  40           HB1      ALA  40  18.294   6.848  -1.848
  341    HB2  ALA  40           HB2      ALA  40  18.736   6.846  -3.557
  342    HB3  ALA  40           HB3      ALA  40  18.202   8.338  -2.786
  343    H    LEU  41           HN       LEU  41  22.262   6.905  -3.466
  344    HA   LEU  41           HA       LEU  41  22.329   4.277  -2.331
  345    HB2  LEU  41           HB2      LEU  41  23.221   4.825  -4.590
  346    HB3  LEU  41           HB1      LEU  41  24.503   5.746  -3.828
  347    HG   LEU  41           HG       LEU  41  25.316   3.679  -2.741
  348   HD11  LEU  41          HD11      LEU  41  23.175   2.350  -4.390
  349   HD12  LEU  41          HD12      LEU  41  23.252   2.433  -2.629
  350   HD13  LEU  41          HD13      LEU  41  24.462   1.513  -3.523
  351   HD21  LEU  41          HD21      LEU  41  26.283   4.406  -4.856
  352   HD22  LEU  41          HD22      LEU  41  25.052   3.506  -5.740
  353   HD23  LEU  41          HD23      LEU  41  26.237   2.647  -4.757
  354    H    GLU  42           HN       GLU  42  23.245   7.321  -1.280
  355    HA   GLU  42           HA       GLU  42  25.413   6.845   0.415
  356    HB2  GLU  42           HB2      GLU  42  24.756   9.094   0.084
  357    HB3  GLU  42           HB1      GLU  42  23.081   8.753   0.486
  358    HG2  GLU  42           HG2      GLU  42  24.159  10.054   2.219
  359    HG3  GLU  42           HG1      GLU  42  23.683   8.472   2.823
  360    HA   PRO  43           HA       PRO  43  23.615   3.648   2.991
  361    HB2  PRO  43           HB2      PRO  43  25.794   4.579   4.803
  362    HB3  PRO  43           HB1      PRO  43  25.368   2.939   4.300
  363    HG2  PRO  43           HG2      PRO  43  27.468   4.180   3.240
  364    HG3  PRO  43           HG1      PRO  43  26.422   3.147   2.249
  365    HD2  PRO  43           HD2      PRO  43  26.600   6.123   2.362
  366    HD3  PRO  43           HD1      PRO  43  26.248   5.060   0.983
  367    H    ASN  44           HN       ASN  44  24.333   6.907   4.176
  368    HA   ASN  44           HA       ASN  44  22.858   6.621   6.601
  369    HB2  ASN  44           HB2      ASN  44  23.589   9.146   5.091
  370    HB3  ASN  44           HB1      ASN  44  22.927   9.098   6.723
  371   HD21  ASN  44          HD21      ASN  44  25.420  10.249   5.904
  372   HD22  ASN  44          HD22      ASN  44  26.670   9.397   6.738
  373    H    LYS  45           HN       LYS  45  22.046   8.129   3.457
  374    HA   LYS  45           HA       LYS  45  19.353   8.658   4.125
  375    HB2  LYS  45           HB2      LYS  45  20.550   9.813   2.312
  376    HB3  LYS  45           HB1      LYS  45  20.672   8.305   1.423
  377    HG2  LYS  45           HG2      LYS  45  18.917   9.607   0.461
  378    HG3  LYS  45           HG1      LYS  45  18.191   8.237   1.301
  379    HD2  LYS  45           HD2      LYS  45  16.836  10.004   1.941
  380    HD3  LYS  45           HD1      LYS  45  17.962   9.877   3.289
  381    HE2  LYS  45           HE2      LYS  45  18.219  11.811   0.987
  382    HE3  LYS  45           HE1      LYS  45  17.556  12.211   2.568
  383    HZ1  LYS  45           HZ1      LYS  45  19.804  12.916   2.504
  384    HZ2  LYS  45           HZ2      LYS  45  20.344  11.426   1.935
  385    HZ3  LYS  45           HZ3      LYS  45  19.747  11.562   3.512
  386    H    ARG  46           HN       ARG  46  20.996   6.006   2.531
  387    HA   ARG  46           HA       ARG  46  18.838   4.491   1.667
  388    HB2  ARG  46           HB2      ARG  46  21.158   4.032   1.069
  389    HB3  ARG  46           HB1      ARG  46  21.525   3.606   2.732
  390    HG2  ARG  46           HG2      ARG  46  20.057   1.676   2.575
  391    HG3  ARG  46           HG1      ARG  46  19.652   2.115   0.912
  392    HD2  ARG  46           HD2      ARG  46  21.978   1.858   0.258
  393    HD3  ARG  46           HD1      ARG  46  22.420   1.480   1.921
  394    HE   ARG  46           HE       ARG  46  20.750  -0.467   1.543
  395   HH11  ARG  46          HH11      ARG  46  22.963   0.856  -0.812
  396   HH12  ARG  46          HH12      ARG  46  23.203  -0.652  -1.639
  397   HH21  ARG  46          HH21      ARG  46  21.030  -2.450   0.451
  398   HH22  ARG  46          HH22      ARG  46  22.082  -2.530  -0.937
  399    H    GLN  47           HN       GLN  47  20.389   4.641   4.830
  400    HA   GLN  47           HA       GLN  47  18.946   2.598   6.100
  401    HB2  GLN  47           HB2      GLN  47  20.969   3.588   7.045
  402    HB3  GLN  47           HB1      GLN  47  20.150   5.130   7.230
  403    HG2  GLN  47           HG2      GLN  47  20.290   4.020   9.351
  404    HG3  GLN  47           HG1      GLN  47  18.607   4.099   8.835
  405   HE21  GLN  47          HE21      GLN  47  17.535   2.216   8.281
  406   HE22  GLN  47          HE22      GLN  47  18.161   0.649   8.666
  407    H    HIS  48           HN       HIS  48  18.308   6.027   5.645
  408    HA   HIS  48           HA       HIS  48  15.994   6.120   7.299
  409    HB2  HIS  48           HB2      HIS  48  17.489   8.085   6.543
  410    HB3  HIS  48           HB1      HIS  48  16.596   8.029   5.029
  411    HD1  HIS  48           HD1      HIS  48  16.359   9.163   8.538
  412    HD2  HIS  48           HD2      HIS  48  13.853   8.811   5.244
  413    HE1  HIS  48           HE1      HIS  48  14.333  10.545   9.079
  414    HE2  HIS  48           HE2      HIS  48  12.753  10.133   7.173
  415    H    ILE  49           HN       ILE  49  16.560   5.590   3.854
  416    HA   ILE  49           HA       ILE  49  13.857   5.657   3.030
  417    HB   ILE  49           HB       ILE  49  16.239   4.248   1.815
  418   HG12  ILE  49          HG12      ILE  49  14.821   6.827   1.102
  419   HG13  ILE  49          HG11      ILE  49  16.395   6.699   1.881
  420   HG21  ILE  49          HG21      ILE  49  14.196   3.135   1.107
  421   HG22  ILE  49          HG22      ILE  49  14.897   4.049  -0.228
  422   HG23  ILE  49          HG23      ILE  49  13.496   4.684   0.635
  423   HD11  ILE  49          HD11      ILE  49  17.300   5.638  -0.117
  424   HD12  ILE  49          HD12      ILE  49  16.604   7.218  -0.483
  425   HD13  ILE  49          HD13      ILE  49  15.720   5.748  -0.894
  426    H    TYR  50           HN       TYR  50  15.983   2.936   3.946
  427    HA   TYR  50           HA       TYR  50  14.214   0.851   3.734
  428    HB2  TYR  50           HB2      TYR  50  16.565   0.541   4.315
  429    HB3  TYR  50           HB1      TYR  50  16.313   1.330   5.865
  430    HD1  TYR  50           HD1      TYR  50  16.360  -0.132   7.666
  431    HD2  TYR  50           HD2      TYR  50  14.697  -1.475   3.984
  432    HE1  TYR  50           HE1      TYR  50  15.852  -2.310   8.691
  433    HE2  TYR  50           HE2      TYR  50  14.195  -3.654   5.000
  434    HH   TYR  50           HH       TYR  50  15.003  -5.037   6.883
  435    H    GLN  51           HN       GLN  51  14.486   3.189   6.382
  436    HA   GLN  51           HA       GLN  51  12.632   1.917   8.106
  437    HB2  GLN  51           HB2      GLN  51  14.255   3.705   8.809
  438    HB3  GLN  51           HB1      GLN  51  13.254   4.875   7.957
  439    HG2  GLN  51           HG2      GLN  51  12.728   4.948  10.294
  440    HG3  GLN  51           HG1      GLN  51  11.358   4.271   9.417
  441   HE21  GLN  51          HE21      GLN  51  10.523   3.182  11.153
  442   HE22  GLN  51          HE22      GLN  51  11.292   1.807  11.867
  443    H    ARG  52           HN       ARG  52  12.269   4.530   5.726
  444    HA   ARG  52           HA       ARG  52   9.518   4.959   6.116
  445    HB2  ARG  52           HB2      ARG  52  11.300   5.429   3.733
  446    HB3  ARG  52           HB1      ARG  52   9.601   5.872   3.741
  447    HG2  ARG  52           HG2      ARG  52   9.999   7.366   5.637
  448    HG3  ARG  52           HG1      ARG  52  11.709   6.922   5.617
  449    HD2  ARG  52           HD2      ARG  52  11.970   7.839   3.407
  450    HD3  ARG  52           HD1      ARG  52  10.240   8.157   3.294
  451    HE   ARG  52           HE       ARG  52  11.055   9.561   5.498
  452   HH11  ARG  52          HH11      ARG  52  11.989   9.458   2.133
  453   HH12  ARG  52          HH12      ARG  52  12.467  11.119   2.071
  454   HH21  ARG  52          HH21      ARG  52  11.679  11.778   5.426
  455   HH22  ARG  52          HH22      ARG  52  12.290  12.440   3.943
  456    H    CYS  53           HN       CYS  53  11.278   2.675   4.155
  457    HA   CYS  53           HA       CYS  53   9.102   1.760   2.592
  458    HB2  CYS  53           HB2      CYS  53  11.506   1.279   2.084
  459    HB3  CYS  53           HB1      CYS  53  11.534   0.164   3.452
  460    HG   CYS  53           HG       CYS  53  10.364  -0.282   0.360
  461    H    ILE  54           HN       ILE  54  10.498   0.617   5.643
  462    HA   ILE  54           HA       ILE  54   8.719  -1.463   6.170
  463    HB   ILE  54           HB       ILE  54  10.152   0.360   8.100
  464   HG12  ILE  54          HG12      ILE  54  10.781  -2.443   7.140
  465   HG13  ILE  54          HG11      ILE  54  11.616  -0.977   6.626
  466   HG21  ILE  54          HG21      ILE  54   9.739  -1.341   9.803
  467   HG22  ILE  54          HG22      ILE  54   8.771  -2.262   8.651
  468   HG23  ILE  54          HG23      ILE  54   8.229  -0.670   9.187
  469   HD11  ILE  54          HD11      ILE  54  12.403  -0.628   8.906
  470   HD12  ILE  54          HD12      ILE  54  12.897  -2.203   8.285
  471   HD13  ILE  54          HD13      ILE  54  11.556  -2.084   9.423
  472    H    GLN  55           HN       GLN  55   8.491   1.981   6.978
  473    HA   GLN  55           HA       GLN  55   6.169   1.835   8.543
  474    HB2  GLN  55           HB2      GLN  55   7.173   4.103   6.817
  475    HB3  GLN  55           HB1      GLN  55   5.908   4.254   8.026
  476    HG2  GLN  55           HG2      GLN  55   8.760   3.458   8.568
  477    HG3  GLN  55           HG1      GLN  55   8.076   5.061   8.826
  478   HE21  GLN  55          HE21      GLN  55   5.531   4.013   9.797
  479   HE22  GLN  55          HE22      GLN  55   5.838   3.416  11.390
  480    H    LEU  56           HN       LEU  56   6.493   2.679   5.091
  481    HA   LEU  56           HA       LEU  56   3.780   2.802   4.509
  482    HB2  LEU  56           HB2      LEU  56   5.976   1.897   2.646
  483    HB3  LEU  56           HB1      LEU  56   4.414   2.528   2.171
  484    HG   LEU  56           HG       LEU  56   6.597   4.069   3.579
  485   HD11  LEU  56          HD11      LEU  56   7.102   3.568   1.251
  486   HD12  LEU  56          HD12      LEU  56   6.778   5.286   1.481
  487   HD13  LEU  56          HD13      LEU  56   5.549   4.245   0.761
  488   HD21  LEU  56          HD21      LEU  56   4.412   4.867   4.269
  489   HD22  LEU  56          HD22      LEU  56   3.897   4.977   2.586
  490   HD23  LEU  56          HD23      LEU  56   5.176   6.031   3.188
  491    H    LYS  57           HN       LYS  57   5.952   0.030   4.563
  492    HA   LYS  57           HA       LYS  57   4.193  -1.806   3.340
  493    HB2  LYS  57           HB2      LYS  57   6.672  -2.103   3.701
  494    HB3  LYS  57           HB1      LYS  57   6.326  -2.428   5.392
  495    HG2  LYS  57           HG2      LYS  57   5.179  -4.434   4.868
  496    HG3  LYS  57           HG1      LYS  57   5.139  -4.043   3.149
  497    HD2  LYS  57           HD2      LYS  57   6.840  -5.706   3.534
  498    HD3  LYS  57           HD1      LYS  57   7.616  -4.182   3.105
  499    HE2  LYS  57           HE2      LYS  57   8.864  -5.096   4.896
  500    HE3  LYS  57           HE1      LYS  57   7.919  -3.772   5.572
  501    HZ1  LYS  57           HZ1      LYS  57   7.213  -6.651   5.738
  502    HZ2  LYS  57           HZ2      LYS  57   6.332  -5.379   6.417
  503    HZ3  LYS  57           HZ3      LYS  57   7.882  -5.732   6.989
  504    H    GLN  58           HN       GLN  58   4.754  -0.923   6.716
  505    HA   GLN  58           HA       GLN  58   2.803  -2.626   7.838
  506    HB2  GLN  58           HB2      GLN  58   3.906   0.004   8.838
  507    HB3  GLN  58           HB1      GLN  58   2.858  -1.044   9.779
  508    HG2  GLN  58           HG2      GLN  58   4.523  -2.813   9.698
  509    HG3  GLN  58           HG1      GLN  58   5.573  -1.790   8.716
  510   HE21  GLN  58          HE21      GLN  58   4.301  -2.399  11.882
  511   HE22  GLN  58          HE22      GLN  58   5.350  -1.321  12.735
  512    H    ALA  59           HN       ALA  59   2.613   0.580   6.420
  513    HA   ALA  59           HA       ALA  59  -0.006   1.184   7.311
  514    HB1  ALA  59           HB1      ALA  59   0.058   2.988   5.684
  515    HB2  ALA  59           HB2      ALA  59   1.491   2.283   4.937
  516    HB3  ALA  59           HB3      ALA  59   1.571   2.904   6.585
  517    H    ILE  60           HN       ILE  60   1.262  -0.236   4.311
  518    HA   ILE  60           HA       ILE  60  -1.256  -0.476   3.027
  519    HB   ILE  60           HB       ILE  60   1.233  -2.151   2.626
  520   HG12  ILE  60          HG12      ILE  60   0.252   0.279   1.107
  521   HG13  ILE  60          HG11      ILE  60   1.571   0.285   2.275
  522   HG21  ILE  60          HG21      ILE  60  -1.176  -1.768   0.853
  523   HG22  ILE  60          HG22      ILE  60  -0.765  -3.234   1.741
  524   HG23  ILE  60          HG23      ILE  60   0.277  -2.674   0.433
  525   HD11  ILE  60          HD11      ILE  60   2.437   0.238   0.023
  526   HD12  ILE  60          HD12      ILE  60   1.502  -1.214  -0.332
  527   HD13  ILE  60          HD13      ILE  60   2.812  -1.278   0.843
  528    H    ASP  61           HN       ASP  61   0.645  -2.625   5.073
  529    HA   ASP  61           HA       ASP  61  -1.030  -4.877   5.031
  530    HB2  ASP  61           HB2      ASP  61   1.217  -4.974   5.989
  531    HB3  ASP  61           HB1      ASP  61   0.766  -3.813   7.235
  532    H    GLU  62           HN       GLU  62  -1.075  -1.964   6.971
  533    HA   GLU  62           HA       GLU  62  -3.144  -2.609   8.732
  534    HB2  GLU  62           HB2      GLU  62  -1.662  -0.636   8.950
  535    HB3  GLU  62           HB1      GLU  62  -2.469   0.102   7.573
  536    HG2  GLU  62           HG2      GLU  62  -3.364   1.083   9.528
  537    HG3  GLU  62           HG1      GLU  62  -4.592   0.000   8.876
  538    H    ASN  63           HN       ASN  63  -3.275  -0.979   5.562
  539    HA   ASN  63           HA       ASN  63  -6.083  -0.746   5.457
  540    HB2  ASN  63           HB2      ASN  63  -3.986  -0.833   3.291
  541    HB3  ASN  63           HB1      ASN  63  -5.698  -0.683   2.920
  542   HD21  ASN  63          HD21      ASN  63  -5.435   1.347   2.000
  543   HD22  ASN  63          HD22      ASN  63  -5.099   2.753   2.953
  544    H    LYS  64           HN       LYS  64  -3.879  -3.273   4.335
  545    HA   LYS  64           HA       LYS  64  -5.723  -4.925   3.043
  546    HB2  LYS  64           HB2      LYS  64  -3.309  -5.264   2.899
  547    HB3  LYS  64           HB1      LYS  64  -3.241  -5.672   4.606
  548    HG2  LYS  64           HG2      LYS  64  -4.761  -7.618   4.076
  549    HG3  LYS  64           HG1      LYS  64  -4.466  -7.267   2.370
  550    HD2  LYS  64           HD2      LYS  64  -2.300  -7.804   4.404
  551    HD3  LYS  64           HD1      LYS  64  -2.978  -9.029   3.332
  552    HE2  LYS  64           HE2      LYS  64  -1.674  -6.487   2.353
  553    HE3  LYS  64           HE1      LYS  64  -0.807  -8.007   2.568
  554    HZ1  LYS  64           HZ1      LYS  64  -2.325  -9.040   0.986
  555    HZ2  LYS  64           HZ2      LYS  64  -1.501  -7.741   0.289
  556    HZ3  LYS  64           HZ3      LYS  64  -3.116  -7.563   0.754
  557    H    ASN  65           HN       ASN  65  -4.723  -4.880   6.455
  558    HA   ASN  65           HA       ASN  65  -6.356  -7.086   7.203
  559    HB2  ASN  65           HB2      ASN  65  -4.835  -5.004   8.732
  560    HB3  ASN  65           HB1      ASN  65  -5.959  -6.063   9.574
  561   HD21  ASN  65          HD21      ASN  65  -2.934  -5.827   7.923
  562   HD22  ASN  65          HD22      ASN  65  -2.370  -7.418   8.303
  563    H    ALA  66           HN       ALA  66  -6.821  -3.599   7.228
  564    HA   ALA  66           HA       ALA  66  -9.294  -3.615   8.600
  565    HB1  ALA  66           HB1      ALA  66  -7.956  -1.589   8.351
  566    HB2  ALA  66           HB2      ALA  66  -9.582  -1.354   7.712
  567    HB3  ALA  66           HB3      ALA  66  -8.229  -1.613   6.610
  568    H    LEU  67           HN       LEU  67  -8.410  -3.746   5.189
  569    HA   LEU  67           HA       LEU  67 -10.997  -3.660   4.114
  570    HB2  LEU  67           HB2      LEU  67  -9.040  -3.285   2.750
  571    HB3  LEU  67           HB1      LEU  67  -8.460  -4.909   3.062
  572    HG   LEU  67           HG       LEU  67 -10.372  -5.825   1.810
  573   HD11  LEU  67          HD11      LEU  67 -11.734  -4.293   0.436
  574   HD12  LEU  67          HD12      LEU  67 -11.014  -2.930   1.293
  575   HD13  LEU  67          HD13      LEU  67 -12.006  -4.096   2.167
  576   HD21  LEU  67          HD21      LEU  67  -8.743  -3.775   0.323
  577   HD22  LEU  67          HD22      LEU  67  -9.635  -5.103  -0.415
  578   HD23  LEU  67          HD23      LEU  67  -8.277  -5.442   0.656
  579    H    GLN  68           HN       GLN  68  -8.952  -6.416   5.025
  580    HA   GLN  68           HA       GLN  68 -10.749  -8.401   4.122
  581    HB2  GLN  68           HB2      GLN  68  -8.346  -8.792   4.534
  582    HB3  GLN  68           HB1      GLN  68  -8.620  -8.602   6.261
  583    HG2  GLN  68           HG2      GLN  68 -10.062 -10.563   6.257
  584    HG3  GLN  68           HG1      GLN  68  -9.823 -10.744   4.520
  585   HE21  GLN  68          HE21      GLN  68  -7.841 -11.464   3.750
  586   HE22  GLN  68          HE22      GLN  68  -6.674 -12.217   4.777
  587    H    LYS  69           HN       LYS  69 -10.552  -6.564   7.068
  588    HA   LYS  69           HA       LYS  69 -12.417  -8.317   8.453
  589    HB2  LYS  69           HB2      LYS  69 -10.425  -7.171   9.561
  590    HB3  LYS  69           HB1      LYS  69 -11.325  -5.669   9.413
  591    HG2  LYS  69           HG2      LYS  69 -13.135  -6.650  10.765
  592    HG3  LYS  69           HG1      LYS  69 -12.160  -8.108  10.967
  593    HD2  LYS  69           HD2      LYS  69 -10.373  -6.667  11.961
  594    HD3  LYS  69           HD1      LYS  69 -11.517  -5.325  11.923
  595    HE2  LYS  69           HE2      LYS  69 -11.462  -6.380  14.122
  596    HE3  LYS  69           HE1      LYS  69 -13.041  -6.572  13.362
  597    HZ1  LYS  69           HZ1      LYS  69 -10.910  -8.641  13.383
  598    HZ2  LYS  69           HZ2      LYS  69 -12.475  -8.818  12.770
  599    HZ3  LYS  69           HZ3      LYS  69 -12.237  -8.612  14.429
  600    H    LEU  70           HN       LEU  70 -12.550  -5.697   6.351
  601    HA   LEU  70           HA       LEU  70 -14.811  -4.321   7.343
  602    HB2  LEU  70           HB2      LEU  70 -13.325  -3.321   5.709
  603    HB3  LEU  70           HB1      LEU  70 -13.712  -4.571   4.545
  604    HG   LEU  70           HG       LEU  70 -16.044  -3.736   4.463
  605   HD11  LEU  70          HD11      LEU  70 -14.969  -1.537   6.224
  606   HD12  LEU  70          HD12      LEU  70 -16.195  -2.728   6.661
  607   HD13  LEU  70          HD13      LEU  70 -16.538  -1.525   5.418
  608   HD21  LEU  70          HD21      LEU  70 -15.541  -1.723   3.180
  609   HD22  LEU  70          HD22      LEU  70 -14.394  -3.015   2.822
  610   HD23  LEU  70          HD23      LEU  70 -13.920  -1.680   3.874
  611    H    SER  71           HN       SER  71 -14.596  -6.592   4.588
  612    HA   SER  71           HA       SER  71 -17.142  -7.749   5.348
  613    HB2  SER  71           HB2      SER  71 -16.741  -6.372   2.675
  614    HB3  SER  71           HB1      SER  71 -18.141  -7.359   3.104
  615    HG   SER  71           HG       SER  71 -17.767  -5.539   5.021
  616    H    LYS  72           HN       LYS  72 -17.529  -9.782   4.374
  617    HA   LYS  72           HA       LYS  72 -15.093 -11.084   3.440
  618    HB2  LYS  72           HB2      LYS  72 -17.816 -12.305   4.016
  619    HB3  LYS  72           HB1      LYS  72 -16.307 -13.178   3.792
  620    HG2  LYS  72           HG2      LYS  72 -15.417 -12.282   5.866
  621    HG3  LYS  72           HG1      LYS  72 -16.842 -11.254   6.068
  622    HD2  LYS  72           HD2      LYS  72 -18.249 -13.285   6.196
  623    HD3  LYS  72           HD1      LYS  72 -16.795 -14.278   6.074
  624    HE2  LYS  72           HE2      LYS  72 -17.587 -14.012   8.396
  625    HE3  LYS  72           HE1      LYS  72 -15.958 -13.386   8.154
  626    HZ1  LYS  72           HZ1      LYS  72 -16.825 -11.160   8.086
  627    HZ2  LYS  72           HZ2      LYS  72 -17.372 -11.911   9.496
  628    HZ3  LYS  72           HZ3      LYS  72 -18.417 -11.720   8.181
  629    H    ALA  73           HN       ALA  73 -14.705 -10.960   1.335
  630    HA   ALA  73           HA       ALA  73 -16.714 -10.321  -0.574
  631    HB1  ALA  73           HB1      ALA  73 -14.427  -9.538  -0.797
  632    HB2  ALA  73           HB2      ALA  73 -14.923 -10.468  -2.212
  633    HB3  ALA  73           HB3      ALA  73 -13.870 -11.199  -0.998
  634    H    ASP  74           HN       ASP  74 -15.944 -13.241   0.830
  635    HA   ASP  74           HA       ASP  74 -16.592 -14.821  -1.537
  636    HB2  ASP  74           HB2      ASP  74 -15.875 -15.662   1.282
  637    HB3  ASP  74           HB1      ASP  74 -16.246 -16.782  -0.021
  638    H    GLU  75           HN       GLU  75 -18.253 -13.178   0.794
  639    HA   GLU  75           HA       GLU  75 -20.570 -14.978   0.539
  640    HB2  GLU  75           HB2      GLU  75 -19.588 -15.016   2.830
  641    HB3  GLU  75           HB1      GLU  75 -19.876 -13.288   2.953
  642    HG2  GLU  75           HG2      GLU  75 -21.559 -14.719   4.101
  643    HG3  GLU  75           HG1      GLU  75 -22.228 -13.592   2.924
  644    H    SER  76           HN       SER  76 -20.395 -13.298  -1.396
  645    HA   SER  76           HA       SER  76 -22.466 -11.341  -0.919
  646    HB2  SER  76           HB2      SER  76 -19.750 -10.429  -1.903
  647    HB3  SER  76           HB1      SER  76 -21.185  -9.424  -1.720
  648    HG   SER  76           HG       SER  76 -20.768 -10.623   0.598
  649    H    ALA  77           HN       ALA  77 -22.311 -13.699  -2.497
  650    HA   ALA  77           HA       ALA  77 -21.507 -13.431  -5.115
  651    HB1  ALA  77           HB1      ALA  77 -23.903 -15.007  -4.200
  652    HB2  ALA  77           HB2      ALA  77 -22.229 -15.546  -4.114
  653    HB3  ALA  77           HB3      ALA  77 -22.978 -15.249  -5.680
  654    HA   PRO  78           HA       PRO  78 -26.057 -11.808  -6.296
  655    HB2  PRO  78           HB2      PRO  78 -26.363 -10.176  -3.810
  656    HB3  PRO  78           HB1      PRO  78 -27.606 -10.937  -4.812
  657    HG2  PRO  78           HG2      PRO  78 -26.927 -12.045  -2.514
  658    HG3  PRO  78           HG1      PRO  78 -27.182 -13.061  -3.946
  659    HD2  PRO  78           HD2      PRO  78 -24.619 -12.195  -2.667
  660    HD3  PRO  78           HD1      PRO  78 -25.050 -13.757  -3.391
  661    H    VAL  79           HN       VAL  79 -23.792  -9.948  -4.296
  662    HA   VAL  79           HA       VAL  79 -24.036  -7.707  -6.172
  663    HB   VAL  79           HB       VAL  79 -22.804  -6.386  -4.428
  664   HG11  VAL  79          HG11      VAL  79 -25.409  -7.653  -3.598
  665   HG12  VAL  79          HG12      VAL  79 -25.218  -6.252  -4.652
  666   HG13  VAL  79          HG13      VAL  79 -24.749  -6.149  -2.956
  667   HG21  VAL  79          HG21      VAL  79 -21.754  -8.265  -3.256
  668   HG22  VAL  79          HG22      VAL  79 -23.341  -8.803  -2.706
  669   HG23  VAL  79          HG23      VAL  79 -22.694  -7.255  -2.160
  670    H    ALA  80           HN       ALA  80 -22.769  -9.669  -7.319
  671    HA   ALA  80           HA       ALA  80 -20.066 -10.073  -6.898
  672    HB1  ALA  80           HB1      ALA  80 -19.969 -10.888  -9.170
  673    HB2  ALA  80           HB2      ALA  80 -21.495 -10.090  -9.546
  674    HB3  ALA  80           HB3      ALA  80 -21.458 -11.425  -8.396
  675    H    ASN  81           HN       ASN  81 -21.666  -7.533  -8.767
  676    HA   ASN  81           HA       ASN  81 -19.377  -6.456  -9.974
  677    HB2  ASN  81           HB2      ASN  81 -22.002  -5.169  -9.215
  678    HB3  ASN  81           HB1      ASN  81 -20.734  -4.299 -10.071
  679   HD21  ASN  81          HD21      ASN  81 -23.403  -4.922 -10.983
  680   HD22  ASN  81          HD22      ASN  81 -23.226  -5.877 -12.415
  681    H    TYR  82           HN       TYR  82 -20.775  -5.903  -6.803
  682    HA   TYR  82           HA       TYR  82 -19.056  -3.784  -6.029
  683    HB2  TYR  82           HB2      TYR  82 -21.211  -4.454  -4.891
  684    HB3  TYR  82           HB1      TYR  82 -20.375  -5.859  -4.246
  685    HD1  TYR  82           HD1      TYR  82 -18.628  -5.576  -2.523
  686    HD2  TYR  82           HD2      TYR  82 -20.909  -2.254  -3.919
  687    HE1  TYR  82           HE1      TYR  82 -17.874  -4.251  -0.598
  688    HE2  TYR  82           HE2      TYR  82 -20.157  -0.927  -1.993
  689    HH   TYR  82           HH       TYR  82 -17.583  -1.791  -0.064
  690    H    ASN  83           HN       ASN  83 -18.847  -7.297  -5.876
  691    HA   ASN  83           HA       ASN  83 -16.469  -7.419  -4.324
  692    HB2  ASN  83           HB2      ASN  83 -17.628  -9.455  -6.236
  693    HB3  ASN  83           HB1      ASN  83 -16.348  -9.769  -5.069
  694   HD21  ASN  83          HD21      ASN  83 -18.970 -10.992  -5.343
  695   HD22  ASN  83          HD22      ASN  83 -19.788 -10.737  -3.843
  696    H    GLN  84           HN       GLN  84 -17.123  -6.963  -7.698
  697    HA   GLN  84           HA       GLN  84 -14.598  -7.780  -8.686
  698    HB2  GLN  84           HB2      GLN  84 -16.680  -5.950  -9.879
  699    HB3  GLN  84           HB1      GLN  84 -15.255  -6.517 -10.738
  700    HG2  GLN  84           HG2      GLN  84 -17.527  -8.179  -9.684
  701    HG3  GLN  84           HG1      GLN  84 -17.119  -7.863 -11.370
  702   HE21  GLN  84          HE21      GLN  84 -15.330  -8.888 -12.283
  703   HE22  GLN  84          HE22      GLN  84 -14.604 -10.280 -11.561
  704    H    ARG  85           HN       ARG  85 -15.873  -4.601  -7.719
  705    HA   ARG  85           HA       ARG  85 -13.410  -3.263  -8.349
  706    HB2  ARG  85           HB2      ARG  85 -15.739  -2.381  -6.637
  707    HB3  ARG  85           HB1      ARG  85 -14.349  -1.373  -7.009
  708    HG2  ARG  85           HG2      ARG  85 -14.924  -1.750  -9.453
  709    HG3  ARG  85           HG1      ARG  85 -16.463  -2.386  -8.872
  710    HD2  ARG  85           HD2      ARG  85 -15.362   0.350  -8.253
  711    HD3  ARG  85           HD1      ARG  85 -16.583   0.003  -9.473
  712    HE   ARG  85           HE       ARG  85 -17.899  -0.911  -7.474
  713   HH11  ARG  85          HH11      ARG  85 -15.646   1.770  -7.269
  714   HH12  ARG  85          HH12      ARG  85 -16.517   2.558  -5.990
  715   HH21  ARG  85          HH21      ARG  85 -19.034   0.134  -5.794
  716   HH22  ARG  85          HH22      ARG  85 -18.438   1.640  -5.156
  717    H    LYS  86           HN       LYS  86 -14.808  -4.823  -5.583
  718    HA   LYS  86           HA       LYS  86 -12.898  -4.062  -3.663
  719    HB2  LYS  86           HB2      LYS  86 -14.954  -5.010  -2.926
  720    HB3  LYS  86           HB1      LYS  86 -14.723  -6.451  -3.910
  721    HG2  LYS  86           HG2      LYS  86 -13.092  -7.319  -2.458
  722    HG3  LYS  86           HG1      LYS  86 -12.835  -5.756  -1.673
  723    HD2  LYS  86           HD2      LYS  86 -15.358  -7.409  -1.485
  724    HD3  LYS  86           HD1      LYS  86 -14.096  -7.324  -0.255
  725    HE2  LYS  86           HE2      LYS  86 -15.899  -5.090  -1.188
  726    HE3  LYS  86           HE1      LYS  86 -15.858  -5.851   0.400
  727    HZ1  LYS  86           HZ1      LYS  86 -13.673  -4.952   0.773
  728    HZ2  LYS  86           HZ2      LYS  86 -14.725  -3.695   0.368
  729    HZ3  LYS  86           HZ3      LYS  86 -13.621  -4.272  -0.781
  730    H    GLU  87           HN       GLU  87 -12.992  -6.579  -6.088
  731    HA   GLU  87           HA       GLU  87 -10.739  -8.062  -5.345
  732    HB2  GLU  87           HB2      GLU  87 -12.487  -8.552  -7.161
  733    HB3  GLU  87           HB1      GLU  87 -11.546  -7.485  -8.195
  734    HG2  GLU  87           HG2      GLU  87 -10.947  -9.761  -8.631
  735    HG3  GLU  87           HG1      GLU  87  -9.591  -8.938  -7.862
  736    H    GLU  88           HN       GLU  88 -11.087  -5.109  -7.255
  737    HA   GLU  88           HA       GLU  88  -8.421  -4.843  -8.090
  738    HB2  GLU  88           HB2      GLU  88 -10.659  -2.890  -7.697
  739    HB3  GLU  88           HB1      GLU  88  -9.046  -2.314  -8.090
  740    HG2  GLU  88           HG2      GLU  88 -10.648  -4.260  -9.732
  741    HG3  GLU  88           HG1      GLU  88 -10.467  -2.539 -10.067
  742    H    GLU  89           HN       GLU  89 -10.006  -4.024  -5.078
  743    HA   GLU  89           HA       GLU  89  -8.011  -2.385  -3.960
  744    HB2  GLU  89           HB2      GLU  89  -9.736  -4.336  -2.425
  745    HB3  GLU  89           HB1      GLU  89  -9.006  -2.857  -1.822
  746    HG2  GLU  89           HG2      GLU  89 -10.470  -1.547  -3.270
  747    HG3  GLU  89           HG1      GLU  89 -11.205  -3.032  -3.866
  748    H    HIS  90           HN       HIS  90  -8.536  -5.879  -3.846
  749    HA   HIS  90           HA       HIS  90  -6.259  -6.453  -2.259
  750    HB2  HIS  90           HB2      HIS  90  -7.985  -8.160  -4.045
  751    HB3  HIS  90           HB1      HIS  90  -6.556  -8.815  -3.252
  752    HD1  HIS  90           HD1      HIS  90  -6.850  -9.614  -0.910
  753    HD2  HIS  90           HD2      HIS  90  -9.967  -7.158  -2.144
  754    HE1  HIS  90           HE1      HIS  90  -8.528  -9.663   0.954
  755    HE2  HIS  90           HE2      HIS  90 -10.487  -8.338   0.092
  756    H    THR  91           HN       THR  91  -6.823  -6.474  -5.758
  757    HA   THR  91           HA       THR  91  -4.331  -7.438  -6.567
  758    HB   THR  91           HB       THR  91  -6.018  -5.392  -8.021
  759    HG1  THR  91           HG1      THR  91  -6.334  -8.159  -7.606
  760   HG21  THR  91          HG21      THR  91  -3.798  -5.748  -8.988
  761   HG22  THR  91          HG22      THR  91  -5.066  -6.382 -10.036
  762   HG23  THR  91          HG23      THR  91  -4.102  -7.484  -9.051
  763    H    LEU  92           HN       LEU  92  -5.398  -4.116  -5.890
  764    HA   LEU  92           HA       LEU  92  -3.025  -2.877  -6.825
  765    HB2  LEU  92           HB2      LEU  92  -5.169  -1.702  -6.671
  766    HB3  LEU  92           HB1      LEU  92  -5.146  -1.861  -4.928
  767    HG   LEU  92           HG       LEU  92  -3.089  -0.451  -4.880
  768   HD11  LEU  92          HD11      LEU  92  -2.332  -0.892  -7.166
  769   HD12  LEU  92          HD12      LEU  92  -2.500   0.834  -6.857
  770   HD13  LEU  92          HD13      LEU  92  -3.727  -0.016  -7.794
  771   HD21  LEU  92          HD21      LEU  92  -4.255   1.641  -5.241
  772   HD22  LEU  92          HD22      LEU  92  -5.336   0.469  -4.484
  773   HD23  LEU  92          HD23      LEU  92  -5.479   0.817  -6.206
  774    H    LEU  93           HN       LEU  93  -4.216  -3.638  -3.563
  775    HA   LEU  93           HA       LEU  93  -1.970  -2.528  -2.244
  776    HB2  LEU  93           HB2      LEU  93  -3.979  -4.550  -1.245
  777    HB3  LEU  93           HB1      LEU  93  -2.825  -3.696  -0.242
  778    HG   LEU  93           HG       LEU  93  -5.069  -2.415  -1.806
  779   HD11  LEU  93          HD11      LEU  93  -6.047  -1.985   0.394
  780   HD12  LEU  93          HD12      LEU  93  -4.742  -2.897   1.152
  781   HD13  LEU  93          HD13      LEU  93  -5.881  -3.712   0.081
  782   HD21  LEU  93          HD21      LEU  93  -3.114  -0.956  -1.593
  783   HD22  LEU  93          HD22      LEU  93  -3.119  -1.206   0.152
  784   HD23  LEU  93          HD23      LEU  93  -4.467  -0.377  -0.623
  785    H    ASP  94           HN       ASP  94  -2.650  -5.694  -3.552
  786    HA   ASP  94           HA       ASP  94  -0.762  -7.153  -2.040
  787    HB2  ASP  94           HB2      ASP  94  -2.550  -8.270  -3.290
  788    HB3  ASP  94           HB1      ASP  94  -1.850  -7.719  -4.810
  789    H    LYS  95           HN       LYS  95  -0.505  -5.673  -5.292
  790    HA   LYS  95           HA       LYS  95   2.169  -6.520  -5.643
  791    HB2  LYS  95           HB2      LYS  95   0.676  -6.033  -7.517
  792    HB3  LYS  95           HB1      LYS  95   0.584  -4.352  -7.026
  793    HG2  LYS  95           HG2      LYS  95   2.864  -3.974  -7.607
  794    HG3  LYS  95           HG1      LYS  95   3.148  -5.698  -7.843
  795    HD2  LYS  95           HD2      LYS  95   2.944  -4.675  -9.995
  796    HD3  LYS  95           HD1      LYS  95   1.506  -5.651  -9.714
  797    HE2  LYS  95           HE2      LYS  95   1.548  -2.707  -9.124
  798    HE3  LYS  95           HE1      LYS  95   1.220  -3.315 -10.743
  799    HZ1  LYS  95           HZ1      LYS  95  -0.363  -3.781  -8.282
  800    HZ2  LYS  95           HZ2      LYS  95  -0.602  -4.664  -9.702
  801    HZ3  LYS  95           HZ3      LYS  95  -0.854  -2.995  -9.692
  802    H    LEU  96           HN       LEU  96   0.702  -3.526  -4.472
  803    HA   LEU  96           HA       LEU  96   3.025  -2.031  -4.129
  804    HB2  LEU  96           HB2      LEU  96   0.605  -2.117  -2.323
  805    HB3  LEU  96           HB1      LEU  96   1.848  -0.885  -2.280
  806    HG   LEU  96           HG       LEU  96  -0.001  -1.409  -4.605
  807   HD11  LEU  96          HD11      LEU  96  -1.180  -0.439  -2.717
  808   HD12  LEU  96          HD12      LEU  96  -0.989   0.752  -4.002
  809   HD13  LEU  96          HD13      LEU  96   0.047   0.819  -2.576
  810   HD21  LEU  96          HD21      LEU  96   0.921   0.689  -5.488
  811   HD22  LEU  96          HD22      LEU  96   2.144  -0.574  -5.353
  812   HD23  LEU  96          HD23      LEU  96   2.080   0.722  -4.159
  813    H    THR  97           HN       THR  97   1.535  -4.360  -1.890
  814    HA   THR  97           HA       THR  97   3.463  -4.256   0.120
  815    HB   THR  97           HB       THR  97   1.942  -6.732  -0.728
  816    HG1  THR  97           HG1      THR  97   0.508  -4.968  -0.390
  817   HG21  THR  97          HG21      THR  97   3.715  -7.128   0.916
  818   HG22  THR  97          HG22      THR  97   2.117  -7.337   1.636
  819   HG23  THR  97          HG23      THR  97   3.039  -5.867   1.949
  820    H    GLN  98           HN       GLN  98   3.306  -6.321  -2.771
  821    HA   GLN  98           HA       GLN  98   5.609  -7.834  -2.291
  822    HB2  GLN  98           HB2      GLN  98   4.092  -8.570  -3.966
  823    HB3  GLN  98           HB1      GLN  98   4.185  -7.043  -4.827
  824    HG2  GLN  98           HG2      GLN  98   6.548  -7.548  -5.368
  825    HG3  GLN  98           HG1      GLN  98   6.341  -9.130  -4.617
  826   HE21  GLN  98          HE21      GLN  98   6.845 -10.110  -6.613
  827   HE22  GLN  98          HE22      GLN  98   5.685 -10.176  -7.899
  828    H    GLN  99           HN       GLN  99   5.168  -4.786  -4.031
  829    HA   GLN  99           HA       GLN  99   7.756  -4.510  -5.036
  830    HB2  GLN  99           HB2      GLN  99   5.905  -3.136  -5.818
  831    HB3  GLN  99           HB1      GLN  99   5.756  -2.390  -4.234
  832    HG2  GLN  99           HG2      GLN  99   6.889  -0.780  -5.408
  833    HG3  GLN  99           HG1      GLN  99   8.207  -1.649  -4.630
  834   HE21  GLN  99          HE21      GLN  99   7.880  -3.922  -6.553
  835   HE22  GLN  99          HE22      GLN  99   8.619  -3.367  -8.007
  836    H    LEU 100           HN       LEU 100   6.366  -3.335  -1.990
  837    HA   LEU 100           HA       LEU 100   8.774  -2.017  -1.207
  838    HB2  LEU 100           HB2      LEU 100   6.305  -2.749   0.358
  839    HB3  LEU 100           HB1      LEU 100   7.628  -1.798   1.005
  840    HG   LEU 100           HG       LEU 100   5.819  -1.020  -1.284
  841   HD11  LEU 100          HD11      LEU 100   5.076   0.731   0.236
  842   HD12  LEU 100          HD12      LEU 100   6.138   0.098   1.495
  843   HD13  LEU 100          HD13      LEU 100   4.783  -0.871   0.914
  844   HD21  LEU 100          HD21      LEU 100   7.008   1.140  -1.196
  845   HD22  LEU 100          HD22      LEU 100   8.046  -0.188  -1.712
  846   HD23  LEU 100          HD23      LEU 100   8.163   0.434  -0.065
  847    H    GLN 101           HN       GLN 101   7.242  -5.087  -0.306
  848    HA   GLN 101           HA       GLN 101   9.025  -5.738   1.766
  849    HB2  GLN 101           HB2      GLN 101   6.814  -6.831   1.349
  850    HB3  GLN 101           HB1      GLN 101   7.521  -7.660  -0.027
  851    HG2  GLN 101           HG2      GLN 101   8.683  -7.952   2.720
  852    HG3  GLN 101           HG1      GLN 101   7.298  -8.913   2.207
  853   HE21  GLN 101          HE21      GLN 101  10.002  -9.752   2.939
  854   HE22  GLN 101          HE22      GLN 101  10.613 -10.628   1.579
  855    H    GLY 102           HN       GLY 102   9.077  -6.520  -1.696
  856    HA2  GLY 102           HA2      GLY 102  11.461  -8.041  -1.622
  857    HA3  GLY 102           HA1      GLY 102  10.785  -7.260  -3.043
  858    H    LEU 103           HN       LEU 103  10.847  -4.608  -2.209
  859    HA   LEU 103           HA       LEU 103  13.513  -3.934  -2.847
  860    HB2  LEU 103           HB2      LEU 103  11.546  -2.533  -3.398
  861    HB3  LEU 103           HB1      LEU 103  11.337  -2.176  -1.694
  862    HG   LEU 103           HG       LEU 103  13.548  -1.049  -1.686
  863   HD11  LEU 103          HD11      LEU 103  14.614  -2.241  -3.506
  864   HD12  LEU 103          HD12      LEU 103  14.604  -0.509  -3.837
  865   HD13  LEU 103          HD13      LEU 103  13.456  -1.570  -4.655
  866   HD21  LEU 103          HD21      LEU 103  11.600  -0.030  -3.749
  867   HD22  LEU 103          HD22      LEU 103  12.837   0.926  -2.933
  868   HD23  LEU 103          HD23      LEU 103  11.503   0.237  -2.008
  869    H    ALA 104           HN       ALA 104  11.695  -3.857   0.191
  870    HA   ALA 104           HA       ALA 104  13.544  -2.544   1.789
  871    HB1  ALA 104           HB1      ALA 104  12.441  -3.662   3.691
  872    HB2  ALA 104           HB2      ALA 104  11.593  -4.710   2.553
  873    HB3  ALA 104           HB3      ALA 104  11.295  -2.971   2.544
  874    H    VAL 105           HN       VAL 105  13.244  -6.015   1.118
  875    HA   VAL 105           HA       VAL 105  15.422  -6.794   2.751
  876    HB   VAL 105           HB       VAL 105  14.156  -8.199   0.398
  877   HG11  VAL 105          HG11      VAL 105  16.070  -9.260   2.467
  878   HG12  VAL 105          HG12      VAL 105  16.397  -9.052   0.745
  879   HG13  VAL 105          HG13      VAL 105  15.203 -10.236   1.281
  880   HG21  VAL 105          HG21      VAL 105  12.607  -7.846   2.217
  881   HG22  VAL 105          HG22      VAL 105  13.774  -8.496   3.368
  882   HG23  VAL 105          HG23      VAL 105  13.064  -9.547   2.146
  883    H    THR 106           HN       THR 106  15.120  -5.911  -0.636
  884    HA   THR 106           HA       THR 106  17.739  -6.551  -1.436
  885    HB   THR 106           HB       THR 106  15.872  -4.448  -2.551
  886    HG1  THR 106           HG1      THR 106  14.940  -6.525  -2.615
  887   HG21  THR 106          HG21      THR 106  18.261  -5.809  -3.795
  888   HG22  THR 106          HG22      THR 106  18.148  -4.110  -3.335
  889   HG23  THR 106          HG23      THR 106  17.139  -4.740  -4.638
  890    H    ILE 107           HN       ILE 107  16.345  -3.677   0.049
  891    HA   ILE 107           HA       ILE 107  18.686  -2.061  -0.252
  892    HB   ILE 107           HB       ILE 107  16.315  -1.714   1.588
  893   HG12  ILE 107          HG12      ILE 107  16.955  -0.353  -1.040
  894   HG13  ILE 107          HG11      ILE 107  15.784  -1.654  -0.846
  895   HG21  ILE 107          HG21      ILE 107  18.512   0.215   0.867
  896   HG22  ILE 107          HG22      ILE 107  18.227  -0.515   2.447
  897   HG23  ILE 107          HG23      ILE 107  17.057   0.623   1.775
  898   HD11  ILE 107          HD11      ILE 107  15.634   1.045   0.480
  899   HD12  ILE 107          HD12      ILE 107  14.445  -0.252   0.614
  900   HD13  ILE 107          HD13      ILE 107  14.719   0.539  -0.940
  901    H    SER 108           HN       SER 108  17.355  -4.071   2.347
  902    HA   SER 108           HA       SER 108  19.291  -3.113   4.252
  903    HB2  SER 108           HB2      SER 108  18.272  -4.951   5.704
  904    HB3  SER 108           HB1      SER 108  17.186  -3.664   5.182
  905    HG   SER 108           HG       SER 108  16.243  -5.014   3.743
  906    H    ARG 109           HN       ARG 109  19.279  -5.464   1.834
  907    HA   ARG 109           HA       ARG 109  21.735  -6.626   2.930
  908    HB2  ARG 109           HB2      ARG 109  19.525  -8.165   1.547
  909    HB3  ARG 109           HB1      ARG 109  21.073  -8.835   2.049
  910    HG2  ARG 109           HG2      ARG 109  20.542  -8.436   4.366
  911    HG3  ARG 109           HG1      ARG 109  19.039  -7.633   3.915
  912    HD2  ARG 109           HD2      ARG 109  18.287  -9.767   2.880
  913    HD3  ARG 109           HD1      ARG 109  19.745 -10.532   3.508
  914    HE   ARG 109           HE       ARG 109  18.740  -9.523   5.739
  915   HH11  ARG 109          HH11      ARG 109  17.162 -11.292   3.165
  916   HH12  ARG 109          HH12      ARG 109  15.916 -11.924   4.192
  917   HH21  ARG 109          HH21      ARG 109  17.091 -10.335   7.090
  918   HH22  ARG 109          HH22      ARG 109  15.871 -11.375   6.421
  919    H    GLU 110           HN       GLU 110  23.079  -5.497   1.639
  920    HA   GLU 110           HA       GLU 110  22.553  -4.843  -1.054
  921    HB2  GLU 110           HB2      GLU 110  24.063  -3.568   0.458
  922    HB3  GLU 110           HB1      GLU 110  25.217  -4.891   0.365
  923    HG2  GLU 110           HG2      GLU 110  25.973  -3.258  -1.140
  924    HG3  GLU 110           HG1      GLU 110  25.256  -4.532  -2.124
  925    H    ASN 111           HN       ASN 111  24.151  -7.574   0.443
  926    HA   ASN 111           HA       ASN 111  24.851  -8.554  -2.240
  927    HB2  ASN 111           HB2      ASN 111  26.431  -8.772   0.322
  928    HB3  ASN 111           HB1      ASN 111  26.766  -9.767  -1.090
  929   HD21  ASN 111          HD21      ASN 111  27.647  -8.817  -2.925
  930   HD22  ASN 111          HD22      ASN 111  28.358  -7.241  -2.892
  931    H    ILE 112           HN       ILE 112  22.503  -9.304  -1.706
  932    HA   ILE 112           HA       ILE 112  22.113 -11.523  -0.015
  933    HB   ILE 112           HB       ILE 112  20.635 -10.804  -2.549
  934   HG12  ILE 112          HG12      ILE 112  19.875 -10.270   0.325
  935   HG13  ILE 112          HG11      ILE 112  20.630  -9.079  -0.717
  936   HG21  ILE 112          HG21      ILE 112  20.289 -13.128  -1.962
  937   HG22  ILE 112          HG22      ILE 112  18.827 -12.194  -1.646
  938   HG23  ILE 112          HG23      ILE 112  19.877 -12.669  -0.311
  939   HD11  ILE 112          HD11      ILE 112  17.954 -10.374  -1.154
  940   HD12  ILE 112          HD12      ILE 112  18.708  -9.198  -2.227
  941   HD13  ILE 112          HD13      ILE 112  18.242  -8.729  -0.594
  942    H    THR 113           HN       THR 113  23.385 -13.261  -0.158
  943    HA   THR 113           HA       THR 113  24.238 -14.221  -2.775
  944    HB   THR 113           HB       THR 113  25.065 -15.230  -0.047
  945    HG1  THR 113           HG1      THR 113  25.642 -12.904  -1.317
  946   HG21  THR 113          HG21      THR 113  25.551 -16.771  -1.888
  947   HG22  THR 113          HG22      THR 113  27.036 -16.074  -1.240
  948   HG23  THR 113          HG23      THR 113  26.373 -15.477  -2.761
  949    H    GLU 114           HN       GLU 114  22.074 -14.968  -0.205
  950    HA   GLU 114           HA       GLU 114  20.437 -16.504   0.063
  951    HB2  GLU 114           HB2      GLU 114  19.943 -16.090  -2.321
  952    HB3  GLU 114           HB1      GLU 114  21.080 -17.345  -2.770
  953    HG2  GLU 114           HG2      GLU 114  18.838 -18.193  -2.905
  954    HG3  GLU 114           HG1      GLU 114  19.692 -18.992  -1.586
  955    H    VAL 115           HN       VAL 115  22.598 -18.385  -2.050
  956    HA   VAL 115           HA       VAL 115  22.623 -20.501  -0.046
  957    HB   VAL 115           HB       VAL 115  23.860 -20.555  -2.794
  958   HG11  VAL 115          HG11      VAL 115  24.725 -22.263  -1.321
  959   HG12  VAL 115          HG12      VAL 115  23.664 -23.001  -2.520
  960   HG13  VAL 115          HG13      VAL 115  23.089 -22.746  -0.873
  961   HG21  VAL 115          HG21      VAL 115  21.116 -21.478  -1.956
  962   HG22  VAL 115          HG22      VAL 115  21.846 -21.714  -3.544
  963   HG23  VAL 115          HG23      VAL 115  21.473 -20.086  -2.977
  964    H    GLY 116           HN       GLY 116  24.070 -20.047   1.523
  965    HA2  GLY 116           HA2      GLY 116  26.731 -20.545   1.312
  966    HA3  GLY 116           HA1      GLY 116  26.618 -18.826   0.961
  967    H    ALA 117           HN       ALA 117  26.529 -17.430   2.624
  968    HA   ALA 117           HA       ALA 117  25.967 -18.531   5.299
  969    HB1  ALA 117           HB1      ALA 117  27.921 -16.343   4.597
  970    HB2  ALA 117           HB2      ALA 117  28.342 -17.999   5.038
  971    HB3  ALA 117           HB3      ALA 117  27.570 -16.939   6.218
  972    HA   PRO 118           HA       PRO 118  23.033 -15.057   4.703
  973    HB2  PRO 118           HB2      PRO 118  20.749 -16.363   5.090
  974    HB3  PRO 118           HB1      PRO 118  21.615 -16.507   3.554
  975    HG2  PRO 118           HG2      PRO 118  21.489 -18.418   5.848
  976    HG3  PRO 118           HG1      PRO 118  21.480 -18.754   4.108
  977    HD2  PRO 118           HD2      PRO 118  23.706 -18.902   5.784
  978    HD3  PRO 118           HD1      PRO 118  23.752 -18.808   4.014
  979    H    THR 119           HN       THR 119  24.191 -16.836   7.177
  980    HA   THR 119           HA       THR 119  24.074 -16.885   9.428
  981    HB   THR 119           HB       THR 119  23.609 -14.695  10.568
  982    HG1  THR 119           HG1      THR 119  22.390 -14.097   8.339
  983   HG21  THR 119          HG21      THR 119  25.578 -14.682   8.284
  984   HG22  THR 119          HG22      THR 119  25.860 -15.313   9.906
  985   HG23  THR 119          HG23      THR 119  25.611 -13.585   9.663
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1 -37.531   1.634  17.785
    2    H2   GLY   1           HT2      GLY   1 -37.456   2.863  16.631
    3    H3   GLY   1           HT3      GLY   1 -37.650   3.251  18.265
    4    HA2  GLY   1           HA1      GLY   1 -35.458   2.387  18.768
    5    HA3  GLY   1           HA2      GLY   1 -35.260   1.959  17.073
    6    HA   PRO   2           HA       PRO   2 -33.581   6.274  17.826
    7    HB2  PRO   2           HB2      PRO   2 -31.147   5.801  16.691
    8    HB3  PRO   2           HB1      PRO   2 -31.478   5.576  18.411
    9    HG2  PRO   2           HG2      PRO   2 -31.368   3.546  16.219
   10    HG3  PRO   2           HG1      PRO   2 -30.744   3.442  17.877
   11    HD2  PRO   2           HD2      PRO   2 -33.066   2.277  17.117
   12    HD3  PRO   2           HD1      PRO   2 -32.810   2.915  18.753
   13    H    MET   3           HN       MET   3 -34.345   7.622  16.336
   14    HA   MET   3           HA       MET   3 -34.399   6.774  13.537
   15    HB2  MET   3           HB2      MET   3 -35.820   9.038  14.945
   16    HB3  MET   3           HB1      MET   3 -35.957   8.691  13.229
   17    HG2  MET   3           HG2      MET   3 -36.915   6.510  13.738
   18    HG3  MET   3           HG1      MET   3 -36.762   6.842  15.463
   19    HE1  MET   3           HE1      MET   3 -39.491   5.950  14.038
   20    HE2  MET   3           HE2      MET   3 -40.624   7.012  14.872
   21    HE3  MET   3           HE3      MET   3 -39.314   6.242  15.767
   22    H    ALA   4           HN       ALA   4 -32.231   8.222  15.361
   23    HA   ALA   4           HA       ALA   4 -31.545  10.286  13.380
   24    HB1  ALA   4           HB1      ALA   4 -31.777  11.075  15.700
   25    HB2  ALA   4           HB2      ALA   4 -30.140  11.289  15.083
   26    HB3  ALA   4           HB3      ALA   4 -30.498   9.965  16.192
   27    H    MET   5           HN       MET   5 -31.111   7.598  12.735
   28    HA   MET   5           HA       MET   5 -28.253   7.145  13.201
   29    HB2  MET   5           HB2      MET   5 -30.400   5.352  12.058
   30    HB3  MET   5           HB1      MET   5 -28.703   4.908  12.159
   31    HG2  MET   5           HG2      MET   5 -30.508   5.557  14.477
   32    HG3  MET   5           HG1      MET   5 -29.972   3.950  13.990
   33    HE1  MET   5           HE1      MET   5 -27.490   3.095  14.169
   34    HE2  MET   5           HE2      MET   5 -26.144   4.072  14.752
   35    HE3  MET   5           HE3      MET   5 -26.912   4.461  13.213
   36    H    LEU   6           HN       LEU   6 -28.921   9.275  11.533
   37    HA   LEU   6           HA       LEU   6 -28.590   8.407   8.791
   38    HB2  LEU   6           HB2      LEU   6 -28.849  10.676   8.158
   39    HB3  LEU   6           HB1      LEU   6 -30.008  10.384   9.436
   40    HG   LEU   6           HG       LEU   6 -27.347  11.753   9.867
   41   HD11  LEU   6          HD11      LEU   6 -28.605  13.834   9.923
   42   HD12  LEU   6          HD12      LEU   6 -30.080  12.964   9.506
   43   HD13  LEU   6          HD13      LEU   6 -28.751  13.050   8.350
   44   HD21  LEU   6          HD21      LEU   6 -29.801  11.484  11.597
   45   HD22  LEU   6          HD22      LEU   6 -28.435  12.542  11.947
   46   HD23  LEU   6          HD23      LEU   6 -28.206  10.794  11.900
   47    H    ALA   7           HN       ALA   7 -26.523   8.120  11.024
   48    HA   ALA   7           HA       ALA   7 -24.314   9.734  10.130
   49    HB1  ALA   7           HB1      ALA   7 -23.043   8.606  11.862
   50    HB2  ALA   7           HB2      ALA   7 -24.368   7.469  12.114
   51    HB3  ALA   7           HB3      ALA   7 -24.586   9.176  12.496
   52    H    ARG   8           HN       ARG   8 -25.731   6.910   9.053
   53    HA   ARG   8           HA       ARG   8 -23.329   5.505   8.332
   54    HB2  ARG   8           HB2      ARG   8 -25.478   4.340   8.828
   55    HB3  ARG   8           HB1      ARG   8 -26.156   5.039   7.364
   56    HG2  ARG   8           HG2      ARG   8 -24.512   3.854   6.018
   57    HG3  ARG   8           HG1      ARG   8 -23.789   3.181   7.479
   58    HD2  ARG   8           HD2      ARG   8 -25.879   2.030   7.991
   59    HD3  ARG   8           HD1      ARG   8 -26.621   2.720   6.547
   60    HE   ARG   8           HE       ARG   8 -24.249   1.296   5.902
   61   HH11  ARG   8          HH11      ARG   8 -27.615   0.831   6.751
   62   HH12  ARG   8          HH12      ARG   8 -27.748  -0.681   5.909
   63   HH21  ARG   8          HH21      ARG   8 -24.420  -0.698   4.807
   64   HH22  ARG   8          HH22      ARG   8 -25.935  -1.549   4.804
   65    H    ARG   9           HN       ARG   9 -22.254   7.184   7.211
   66    HA   ARG   9           HA       ARG   9 -23.408   7.955   4.627
   67    HB2  ARG   9           HB2      ARG   9 -21.090   9.108   6.182
   68    HB3  ARG   9           HB1      ARG   9 -21.580   9.658   4.587
   69    HG2  ARG   9           HG2      ARG   9 -23.273   9.763   7.074
   70    HG3  ARG   9           HG1      ARG   9 -22.414  11.119   6.347
   71    HD2  ARG   9           HD2      ARG   9 -23.746  10.803   4.285
   72    HD3  ARG   9           HD1      ARG   9 -24.650   9.529   5.099
   73    HE   ARG   9           HE       ARG   9 -24.623  12.106   6.425
   74   HH11  ARG   9          HH11      ARG   9 -26.314   9.931   4.265
   75   HH12  ARG   9          HH12      ARG   9 -27.851  10.712   4.479
   76   HH21  ARG   9          HH21      ARG   9 -26.650  13.134   6.713
   77   HH22  ARG   9          HH22      ARG   9 -28.043  12.527   5.869
   78    H    GLN  10           HN       GLN  10 -21.263   5.773   5.958
   79    HA   GLN  10           HA       GLN  10 -19.405   5.667   3.785
   80    HB2  GLN  10           HB2      GLN  10 -19.941   3.898   6.149
   81    HB3  GLN  10           HB1      GLN  10 -18.856   3.383   4.864
   82    HG2  GLN  10           HG2      GLN  10 -18.565   5.865   6.543
   83    HG3  GLN  10           HG1      GLN  10 -17.629   4.379   6.706
   84   HE21  GLN  10          HE21      GLN  10 -16.736   7.099   6.147
   85   HE22  GLN  10          HE22      GLN  10 -15.883   7.026   4.646
   86    H    ARG  11           HN       ARG  11 -21.472   5.702   2.357
   87    HA   ARG  11           HA       ARG  11 -22.516   3.076   1.774
   88    HB2  ARG  11           HB2      ARG  11 -22.758   5.712   0.308
   89    HB3  ARG  11           HB1      ARG  11 -23.518   4.222  -0.232
   90    HG2  ARG  11           HG2      ARG  11 -24.780   4.130   1.880
   91    HG3  ARG  11           HG1      ARG  11 -24.064   5.670   2.352
   92    HD2  ARG  11           HD2      ARG  11 -25.793   5.189  -0.072
   93    HD3  ARG  11           HD1      ARG  11 -26.304   5.972   1.423
   94    HE   ARG  11           HE       ARG  11 -24.093   7.122  -0.130
   95   HH11  ARG  11          HH11      ARG  11 -27.372   7.362   1.092
   96   HH12  ARG  11          HH12      ARG  11 -27.516   9.048   0.715
   97   HH21  ARG  11          HH21      ARG  11 -24.280   9.333  -0.614
   98   HH22  ARG  11          HH22      ARG  11 -25.754  10.174  -0.246
   99    H    ASP  12           HN       ASP  12 -21.523   1.619   0.581
  100    HA   ASP  12           HA       ASP  12 -19.825   0.578  -0.521
  101    HB2  ASP  12           HB2      ASP  12 -20.762   1.851  -2.454
  102    HB3  ASP  12           HB1      ASP  12 -19.620   3.148  -2.113
  103    HA   PRO  13           HA       PRO  13 -16.859   2.720   2.378
  104    HB2  PRO  13           HB2      PRO  13 -16.204  -0.167   2.718
  105    HB3  PRO  13           HB1      PRO  13 -16.389   1.093   3.945
  106    HG2  PRO  13           HG2      PRO  13 -18.294  -0.732   3.597
  107    HG3  PRO  13           HG1      PRO  13 -18.716   0.964   3.910
  108    HD2  PRO  13           HD2      PRO  13 -18.761  -0.560   1.338
  109    HD3  PRO  13           HD1      PRO  13 -19.897   0.662   1.947
  110    H    LEU  14           HN       LEU  14 -16.543   0.282  -0.104
  111    HA   LEU  14           HA       LEU  14 -13.767   0.138  -0.338
  112    HB2  LEU  14           HB2      LEU  14 -15.771   0.019  -2.595
  113    HB3  LEU  14           HB1      LEU  14 -14.114  -0.566  -2.649
  114    HG   LEU  14           HG       LEU  14 -16.352  -1.703  -0.968
  115   HD11  LEU  14          HD11      LEU  14 -16.071  -3.656  -2.426
  116   HD12  LEU  14          HD12      LEU  14 -14.892  -2.759  -3.380
  117   HD13  LEU  14          HD13      LEU  14 -16.569  -2.223  -3.317
  118   HD21  LEU  14          HD21      LEU  14 -14.296  -1.947   0.250
  119   HD22  LEU  14          HD22      LEU  14 -13.456  -2.506  -1.196
  120   HD23  LEU  14          HD23      LEU  14 -14.713  -3.505  -0.468
  121    H    GLN  15           HN       GLN  15 -16.030   2.472  -1.803
  122    HA   GLN  15           HA       GLN  15 -14.166   3.772  -3.437
  123    HB2  GLN  15           HB2      GLN  15 -16.532   4.165  -3.714
  124    HB3  GLN  15           HB1      GLN  15 -16.659   4.829  -2.093
  125    HG2  GLN  15           HG2      GLN  15 -16.714   6.629  -3.648
  126    HG3  GLN  15           HG1      GLN  15 -15.178   6.690  -2.793
  127   HE21  GLN  15          HE21      GLN  15 -15.927   7.830  -5.352
  128   HE22  GLN  15          HE22      GLN  15 -14.827   7.182  -6.517
  129    H    ALA  16           HN       ALA  16 -15.150   4.519  -0.097
  130    HA   ALA  16           HA       ALA  16 -13.466   6.785   0.154
  131    HB1  ALA  16           HB1      ALA  16 -14.652   5.035   2.304
  132    HB2  ALA  16           HB2      ALA  16 -15.416   6.450   1.580
  133    HB3  ALA  16           HB3      ALA  16 -13.952   6.636   2.543
  134    H    LEU  17           HN       LEU  17 -13.137   3.416   1.191
  135    HA   LEU  17           HA       LEU  17 -10.591   3.732   2.364
  136    HB2  LEU  17           HB2      LEU  17 -12.125   1.835   2.799
  137    HB3  LEU  17           HB1      LEU  17 -11.793   1.229   1.189
  138    HG   LEU  17           HG       LEU  17  -9.463   0.837   1.772
  139   HD11  LEU  17          HD11      LEU  17 -10.218   1.948   4.472
  140   HD12  LEU  17          HD12      LEU  17  -9.092   2.661   3.315
  141   HD13  LEU  17          HD13      LEU  17  -8.700   1.131   4.099
  142   HD21  LEU  17          HD21      LEU  17 -11.088  -0.924   2.224
  143   HD22  LEU  17          HD22      LEU  17 -11.358  -0.269   3.838
  144   HD23  LEU  17          HD23      LEU  17  -9.784  -0.940   3.411
  145    H    ARG  18           HN       ARG  18 -11.602   2.896  -0.916
  146    HA   ARG  18           HA       ARG  18  -9.089   2.280  -1.978
  147    HB2  ARG  18           HB2      ARG  18 -11.122   1.863  -3.246
  148    HB3  ARG  18           HB1      ARG  18 -11.465   3.586  -3.321
  149    HG2  ARG  18           HG2      ARG  18  -9.649   3.981  -4.779
  150    HG3  ARG  18           HG1      ARG  18  -8.988   2.371  -4.500
  151    HD2  ARG  18           HD2      ARG  18 -10.043   2.393  -6.646
  152    HD3  ARG  18           HD1      ARG  18 -11.015   1.414  -5.553
  153    HE   ARG  18           HE       ARG  18 -12.126   3.916  -5.440
  154   HH11  ARG  18          HH11      ARG  18 -11.463   1.556  -7.933
  155   HH12  ARG  18          HH12      ARG  18 -12.777   2.068  -8.947
  156   HH21  ARG  18          HH21      ARG  18 -13.882   4.575  -6.758
  157   HH22  ARG  18          HH22      ARG  18 -14.144   3.785  -8.286
  158    H    ARG  19           HN       ARG  19 -10.736   5.392  -1.625
  159    HA   ARG  19           HA       ARG  19  -8.831   6.999  -2.892
  160    HB2  ARG  19           HB2      ARG  19 -11.114   7.703  -2.115
  161    HB3  ARG  19           HB1      ARG  19 -10.490   7.732  -0.473
  162    HG2  ARG  19           HG2      ARG  19  -8.874   9.457  -1.130
  163    HG3  ARG  19           HG1      ARG  19  -9.548   9.445  -2.762
  164    HD2  ARG  19           HD2      ARG  19 -11.739  10.063  -1.829
  165    HD3  ARG  19           HD1      ARG  19 -11.014  10.141  -0.227
  166    HE   ARG  19           HE       ARG  19  -9.527  11.829  -1.830
  167   HH11  ARG  19          HH11      ARG  19 -12.851  11.558  -0.782
  168   HH12  ARG  19          HH12      ARG  19 -13.138  13.270  -0.819
  169   HH21  ARG  19          HH21      ARG  19  -9.899  14.082  -1.883
  170   HH22  ARG  19          HH22      ARG  19 -11.461  14.706  -1.455
  171    H    ARG  20           HN       ARG  20  -9.071   5.846   0.429
  172    HA   ARG  20           HA       ARG  20  -6.759   7.119   1.422
  173    HB2  ARG  20           HB2      ARG  20  -8.019   4.530   2.347
  174    HB3  ARG  20           HB1      ARG  20  -6.902   5.527   3.268
  175    HG2  ARG  20           HG2      ARG  20  -8.529   7.319   3.367
  176    HG3  ARG  20           HG1      ARG  20  -9.640   6.392   2.356
  177    HD2  ARG  20           HD2      ARG  20  -9.658   4.625   4.111
  178    HD3  ARG  20           HD1      ARG  20  -8.687   5.685   5.129
  179    HE   ARG  20           HE       ARG  20 -10.948   7.122   4.359
  180   HH11  ARG  20          HH11      ARG  20 -10.137   4.306   6.271
  181   HH12  ARG  20          HH12      ARG  20 -11.523   4.442   7.305
  182   HH21  ARG  20          HH21      ARG  20 -12.773   7.319   5.728
  183   HH22  ARG  20          HH22      ARG  20 -13.028   6.165   6.999
  184    H    ASN  21           HN       ASN  21  -7.276   3.900  -0.019
  185    HA   ASN  21           HA       ASN  21  -4.635   2.962   0.204
  186    HB2  ASN  21           HB2      ASN  21  -6.722   2.342  -1.901
  187    HB3  ASN  21           HB1      ASN  21  -5.189   1.495  -1.759
  188   HD21  ASN  21          HD21      ASN  21  -7.841   0.419  -1.590
  189   HD22  ASN  21          HD22      ASN  21  -7.977  -0.296  -0.017
  190    H    GLN  22           HN       GLN  22  -6.216   4.856  -2.325
  191    HA   GLN  22           HA       GLN  22  -4.059   4.977  -4.114
  192    HB2  GLN  22           HB2      GLN  22  -6.299   6.951  -3.637
  193    HB3  GLN  22           HB1      GLN  22  -5.203   7.003  -5.010
  194    HG2  GLN  22           HG2      GLN  22  -6.002   4.853  -5.773
  195    HG3  GLN  22           HG1      GLN  22  -7.039   4.708  -4.357
  196   HE21  GLN  22          HE21      GLN  22  -7.781   4.653  -7.166
  197   HE22  GLN  22          HE22      GLN  22  -8.899   5.951  -7.395
  198    H    GLU  23           HN       GLU  23  -4.777   6.738  -1.210
  199    HA   GLU  23           HA       GLU  23  -2.909   8.859  -1.621
  200    HB2  GLU  23           HB2      GLU  23  -4.829   9.046  -0.073
  201    HB3  GLU  23           HB1      GLU  23  -4.118   7.804   0.945
  202    HG2  GLU  23           HG2      GLU  23  -2.243   9.238   1.445
  203    HG3  GLU  23           HG1      GLU  23  -2.862  10.469   0.345
  204    H    LEU  24           HN       LEU  24  -2.875   5.781   0.140
  205    HA   LEU  24           HA       LEU  24  -0.199   5.956   1.034
  206    HB2  LEU  24           HB2      LEU  24  -1.934   3.545   0.496
  207    HB3  LEU  24           HB1      LEU  24  -0.351   3.463   1.240
  208    HG   LEU  24           HG       LEU  24  -2.757   4.882   2.400
  209   HD11  LEU  24          HD11      LEU  24  -2.700   3.096   4.073
  210   HD12  LEU  24          HD12      LEU  24  -1.386   2.313   3.194
  211   HD13  LEU  24          HD13      LEU  24  -2.981   2.455   2.455
  212   HD21  LEU  24          HD21      LEU  24  -1.355   5.100   4.408
  213   HD22  LEU  24          HD22      LEU  24  -0.687   5.985   3.038
  214   HD23  LEU  24          HD23      LEU  24   0.013   4.438   3.515
  215    H    LYS  25           HN       LYS  25  -1.673   4.709  -1.925
  216    HA   LYS  25           HA       LYS  25   0.602   3.526  -3.031
  217    HB2  LYS  25           HB2      LYS  25  -1.687   3.287  -3.967
  218    HB3  LYS  25           HB1      LYS  25  -1.600   4.949  -4.538
  219    HG2  LYS  25           HG2      LYS  25   0.374   4.321  -5.908
  220    HG3  LYS  25           HG1      LYS  25   0.132   2.648  -5.412
  221    HD2  LYS  25           HD2      LYS  25  -2.067   2.637  -6.443
  222    HD3  LYS  25           HD1      LYS  25  -1.886   4.335  -6.885
  223    HE2  LYS  25           HE2      LYS  25  -0.115   2.089  -7.846
  224    HE3  LYS  25           HE1      LYS  25  -1.436   2.801  -8.770
  225    HZ1  LYS  25           HZ1      LYS  25  -0.280   4.916  -8.746
  226    HZ2  LYS  25           HZ2      LYS  25   0.719   3.719  -9.401
  227    HZ3  LYS  25           HZ3      LYS  25   0.979   4.264  -7.817
  228    H    GLN  26           HN       GLN  26  -0.518   6.887  -3.120
  229    HA   GLN  26           HA       GLN  26   1.443   7.913  -4.843
  230    HB2  GLN  26           HB2      GLN  26   0.009   9.236  -2.535
  231    HB3  GLN  26           HB1      GLN  26   0.985  10.096  -3.716
  232    HG2  GLN  26           HG2      GLN  26  -1.424   8.446  -4.427
  233    HG3  GLN  26           HG1      GLN  26  -1.484  10.174  -4.095
  234   HE21  GLN  26          HE21      GLN  26  -2.220  10.636  -6.148
  235   HE22  GLN  26          HE22      GLN  26  -1.200  10.555  -7.542
  236    H    GLN  27           HN       GLN  27   1.493   7.171  -1.425
  237    HA   GLN  27           HA       GLN  27   3.969   8.487  -0.863
  238    HB2  GLN  27           HB2      GLN  27   2.582   6.260   0.642
  239    HB3  GLN  27           HB1      GLN  27   3.882   7.268   1.263
  240    HG2  GLN  27           HG2      GLN  27   2.457   9.223   1.167
  241    HG3  GLN  27           HG1      GLN  27   1.165   8.269   0.442
  242   HE21  GLN  27          HE21      GLN  27   3.237   7.144   3.038
  243   HE22  GLN  27          HE22      GLN  27   2.007   7.090   4.247
  244    H    VAL  28           HN       VAL  28   2.978   5.249  -1.820
  245    HA   VAL  28           HA       VAL  28   5.508   4.003  -1.427
  246    HB   VAL  28           HB       VAL  28   3.166   3.169  -3.154
  247   HG11  VAL  28          HG11      VAL  28   4.180   0.943  -3.149
  248   HG12  VAL  28          HG12      VAL  28   5.577   1.586  -2.286
  249   HG13  VAL  28          HG13      VAL  28   5.225   2.134  -3.924
  250   HG21  VAL  28          HG21      VAL  28   2.622   3.281  -0.767
  251   HG22  VAL  28          HG22      VAL  28   4.003   2.245  -0.405
  252   HG23  VAL  28          HG23      VAL  28   2.649   1.613  -1.341
  253    H    ASP  29           HN       ASP  29   3.791   5.245  -4.283
  254    HA   ASP  29           HA       ASP  29   5.732   4.621  -6.191
  255    HB2  ASP  29           HB2      ASP  29   3.638   6.793  -6.117
  256    HB3  ASP  29           HB1      ASP  29   4.712   6.576  -7.494
  257    H    SER  30           HN       SER  30   5.414   7.428  -4.079
  258    HA   SER  30           HA       SER  30   7.529   8.912  -5.221
  259    HB2  SER  30           HB2      SER  30   5.832   9.882  -3.668
  260    HB3  SER  30           HB1      SER  30   6.576   8.987  -2.344
  261    HG   SER  30           HG       SER  30   8.508  10.156  -2.725
  262    H    LEU  31           HN       LEU  31   7.424   6.467  -2.653
  263    HA   LEU  31           HA       LEU  31  10.101   6.861  -1.802
  264    HB2  LEU  31           HB2      LEU  31   8.389   5.760  -0.409
  265    HB3  LEU  31           HB1      LEU  31   8.353   4.415  -1.533
  266    HG   LEU  31           HG       LEU  31  10.721   3.929  -0.998
  267   HD11  LEU  31          HD11      LEU  31  11.696   4.983   1.018
  268   HD12  LEU  31          HD12      LEU  31  10.358   6.134   1.023
  269   HD13  LEU  31          HD13      LEU  31  11.493   6.104  -0.328
  270   HD21  LEU  31          HD21      LEU  31  10.311   3.026   1.235
  271   HD22  LEU  31          HD22      LEU  31   8.943   2.746   0.159
  272   HD23  LEU  31          HD23      LEU  31   8.865   4.024   1.372
  273    H    LEU  32           HN       LEU  32   8.579   4.730  -4.172
  274    HA   LEU  32           HA       LEU  32  10.865   3.119  -4.631
  275    HB2  LEU  32           HB2      LEU  32   8.449   3.660  -6.362
  276    HB3  LEU  32           HB1      LEU  32   9.625   2.392  -6.655
  277    HG   LEU  32           HG       LEU  32   7.886   2.579  -4.197
  278   HD11  LEU  32          HD11      LEU  32   6.622   0.743  -5.181
  279   HD12  LEU  32          HD12      LEU  32   7.610   0.838  -6.640
  280   HD13  LEU  32          HD13      LEU  32   6.556   2.181  -6.198
  281   HD21  LEU  32          HD21      LEU  32   9.691   0.391  -5.215
  282   HD22  LEU  32          HD22      LEU  32   8.614   0.266  -3.826
  283   HD23  LEU  32          HD23      LEU  32   9.965   1.397  -3.793
  284    H    SER  33           HN       SER  33   9.497   5.949  -6.262
  285    HA   SER  33           HA       SER  33  11.372   5.993  -8.376
  286    HB2  SER  33           HB2      SER  33  10.554   8.399  -8.619
  287    HB3  SER  33           HB1      SER  33   9.333   7.133  -8.744
  288    HG   SER  33           HG       SER  33   8.501   7.707  -6.849
  289    H    GLU  34           HN       GLU  34  11.427   7.250  -5.112
  290    HA   GLU  34           HA       GLU  34  13.678   8.989  -5.570
  291    HB2  GLU  34           HB2      GLU  34  12.350   8.021  -3.038
  292    HB3  GLU  34           HB1      GLU  34  13.738   9.099  -3.055
  293    HG2  GLU  34           HG2      GLU  34  12.452  10.763  -4.275
  294    HG3  GLU  34           HG1      GLU  34  11.060   9.682  -4.301
  295    H    SER  35           HN       SER  35  13.076   5.717  -4.611
  296    HA   SER  35           HA       SER  35  15.707   5.121  -3.695
  297    HB2  SER  35           HB2      SER  35  13.494   3.281  -4.637
  298    HB3  SER  35           HB1      SER  35  14.957   2.766  -3.799
  299    HG   SER  35           HG       SER  35  12.875   4.425  -2.805
  300    H    GLN  36           HN       GLN  36  14.579   5.800  -6.765
  301    HA   GLN  36           HA       GLN  36  16.387   3.877  -8.058
  302    HB2  GLN  36           HB2      GLN  36  14.002   5.380  -9.152
  303    HB3  GLN  36           HB1      GLN  36  15.105   4.436 -10.147
  304    HG2  GLN  36           HG2      GLN  36  14.501   2.418  -8.978
  305    HG3  GLN  36           HG1      GLN  36  13.488   3.330  -7.861
  306   HE21  GLN  36          HE21      GLN  36  12.818   1.139  -9.653
  307   HE22  GLN  36          HE22      GLN  36  11.552   1.731 -10.674
  308    H    LEU  37           HN       LEU  37  16.505   6.790  -6.838
  309    HA   LEU  37           HA       LEU  37  17.620   8.323  -8.995
  310    HB2  LEU  37           HB2      LEU  37  17.731   8.751  -6.005
  311    HB3  LEU  37           HB1      LEU  37  18.238   9.918  -7.208
  312    HG   LEU  37           HG       LEU  37  15.410   8.905  -6.939
  313   HD11  LEU  37          HD11      LEU  37  16.655  11.450  -5.912
  314   HD12  LEU  37          HD12      LEU  37  16.030  10.121  -4.936
  315   HD13  LEU  37          HD13      LEU  37  14.930  11.085  -5.921
  316   HD21  LEU  37          HD21      LEU  37  16.616  11.190  -8.489
  317   HD22  LEU  37          HD22      LEU  37  14.889  10.877  -8.316
  318   HD23  LEU  37          HD23      LEU  37  15.913   9.718  -9.157
  319    H    LYS  38           HN       LYS  38  19.793   8.818  -9.318
  320    HA   LYS  38           HA       LYS  38  21.661   6.773  -8.710
  321    HB2  LYS  38           HB2      LYS  38  21.833   8.145 -10.747
  322    HB3  LYS  38           HB1      LYS  38  22.136   9.570  -9.765
  323    HG2  LYS  38           HG2      LYS  38  24.211   8.552  -8.938
  324    HG3  LYS  38           HG1      LYS  38  23.916   7.146  -9.961
  325    HD2  LYS  38           HD2      LYS  38  24.028   8.552 -11.947
  326    HD3  LYS  38           HD1      LYS  38  24.269   9.979 -10.937
  327    HE2  LYS  38           HE2      LYS  38  26.116   7.600 -11.054
  328    HE3  LYS  38           HE1      LYS  38  26.370   9.121 -11.904
  329    HZ1  LYS  38           HZ1      LYS  38  26.453  10.253  -9.765
  330    HZ2  LYS  38           HZ2      LYS  38  27.634   9.051  -9.864
  331    HZ3  LYS  38           HZ3      LYS  38  26.235   8.781  -8.957
  332    H    GLU  39           HN       GLU  39  20.868   9.851  -7.253
  333    HA   GLU  39           HA       GLU  39  23.116   9.955  -5.508
  334    HB2  GLU  39           HB2      GLU  39  20.402  11.262  -5.261
  335    HB3  GLU  39           HB1      GLU  39  21.787  11.623  -4.244
  336    HG2  GLU  39           HG2      GLU  39  21.566  12.088  -7.203
  337    HG3  GLU  39           HG1      GLU  39  21.540  13.310  -5.936
  338    H    ALA  40           HN       ALA  40  20.266   8.103  -5.553
  339    HA   ALA  40           HA       ALA  40  20.090   7.705  -2.706
  340    HB1  ALA  40           HB1      ALA  40  18.284   6.159  -3.234
  341    HB2  ALA  40           HB2      ALA  40  18.664   6.299  -4.951
  342    HB3  ALA  40           HB3      ALA  40  18.068   7.700  -4.062
  343    H    LEU  41           HN       LEU  41  22.156   6.623  -5.004
  344    HA   LEU  41           HA       LEU  41  22.495   3.906  -4.236
  345    HB2  LEU  41           HB2      LEU  41  23.365   4.849  -6.347
  346    HB3  LEU  41           HB1      LEU  41  24.490   5.837  -5.438
  347    HG   LEU  41           HG       LEU  41  25.587   3.774  -4.609
  348   HD11  LEU  41          HD11      LEU  41  23.722   2.239  -4.767
  349   HD12  LEU  41          HD12      LEU  41  25.078   1.646  -5.724
  350   HD13  LEU  41          HD13      LEU  41  23.703   2.407  -6.521
  351   HD21  LEU  41          HD21      LEU  41  25.394   4.035  -7.606
  352   HD22  LEU  41          HD22      LEU  41  26.671   3.192  -6.729
  353   HD23  LEU  41          HD23      LEU  41  26.477   4.935  -6.545
  354    H    GLU  42           HN       GLU  42  23.158   6.851  -2.760
  355    HA   GLU  42           HA       GLU  42  25.353   6.209  -1.114
  356    HB2  GLU  42           HB2      GLU  42  24.699   8.505  -1.437
  357    HB3  GLU  42           HB1      GLU  42  23.085   8.186  -0.825
  358    HG2  GLU  42           HG2      GLU  42  24.479   9.406   0.768
  359    HG3  GLU  42           HG1      GLU  42  23.948   7.847   1.396
  360    HA   PRO  43           HA       PRO  43  23.251   3.064   1.353
  361    HB2  PRO  43           HB2      PRO  43  25.238   3.047   3.306
  362    HB3  PRO  43           HB1      PRO  43  25.203   2.027   1.864
  363    HG2  PRO  43           HG2      PRO  43  26.662   4.584   2.347
  364    HG3  PRO  43           HG1      PRO  43  27.186   3.139   1.465
  365    HD2  PRO  43           HD2      PRO  43  26.394   5.330   0.165
  366    HD3  PRO  43           HD1      PRO  43  25.973   3.710  -0.437
  367    H    ASN  44           HN       ASN  44  24.538   6.105   2.604
  368    HA   ASN  44           HA       ASN  44  23.257   5.989   5.119
  369    HB2  ASN  44           HB2      ASN  44  24.200   8.358   3.491
  370    HB3  ASN  44           HB1      ASN  44  23.531   8.506   5.115
  371   HD21  ASN  44          HD21      ASN  44  26.191   9.217   4.213
  372   HD22  ASN  44          HD22      ASN  44  27.295   8.262   5.139
  373    H    LYS  45           HN       LYS  45  22.199   7.395   2.001
  374    HA   LYS  45           HA       LYS  45  19.678   8.234   3.003
  375    HB2  LYS  45           HB2      LYS  45  20.643   9.242   1.004
  376    HB3  LYS  45           HB1      LYS  45  20.644   7.688   0.185
  377    HG2  LYS  45           HG2      LYS  45  18.829   9.074  -0.620
  378    HG3  LYS  45           HG1      LYS  45  18.194   7.663   0.225
  379    HD2  LYS  45           HD2      LYS  45  16.929   9.630   0.846
  380    HD3  LYS  45           HD1      LYS  45  17.852   9.055   2.234
  381    HE2  LYS  45           HE2      LYS  45  17.969  11.474   2.079
  382    HE3  LYS  45           HE1      LYS  45  19.556  10.764   1.794
  383    HZ1  LYS  45           HZ1      LYS  45  19.135  12.506   0.211
  384    HZ2  LYS  45           HZ2      LYS  45  17.691  11.782  -0.275
  385    HZ3  LYS  45           HZ3      LYS  45  19.163  11.023  -0.599
  386    H    ARG  46           HN       ARG  46  20.924   5.310   1.550
  387    HA   ARG  46           HA       ARG  46  18.550   3.976   0.957
  388    HB2  ARG  46           HB2      ARG  46  20.742   3.183   0.239
  389    HB3  ARG  46           HB1      ARG  46  21.195   2.859   1.905
  390    HG2  ARG  46           HG2      ARG  46  19.511   1.126   2.055
  391    HG3  ARG  46           HG1      ARG  46  18.980   1.478   0.409
  392    HD2  ARG  46           HD2      ARG  46  21.734   0.533   1.194
  393    HD3  ARG  46           HD1      ARG  46  20.465  -0.480   0.507
  394    HE   ARG  46           HE       ARG  46  20.610   1.232  -1.423
  395   HH11  ARG  46          HH11      ARG  46  23.322   0.048   0.473
  396   HH12  ARG  46          HH12      ARG  46  24.466   0.310  -0.814
  397   HH21  ARG  46          HH21      ARG  46  22.127   1.546  -3.089
  398   HH22  ARG  46          HH22      ARG  46  23.797   1.160  -2.817
  399    H    GLN  47           HN       GLN  47  20.289   4.306   3.994
  400    HA   GLN  47           HA       GLN  47  18.815   2.506   5.556
  401    HB2  GLN  47           HB2      GLN  47  20.175   5.090   6.334
  402    HB3  GLN  47           HB1      GLN  47  19.601   3.877   7.472
  403    HG2  GLN  47           HG2      GLN  47  21.179   2.292   6.717
  404    HG3  GLN  47           HG1      GLN  47  21.611   3.283   5.326
  405   HE21  GLN  47          HE21      GLN  47  23.769   3.346   5.863
  406   HE22  GLN  47          HE22      GLN  47  24.370   4.258   7.204
  407    H    HIS  48           HN       HIS  48  18.279   5.880   4.737
  408    HA   HIS  48           HA       HIS  48  16.063   6.332   6.433
  409    HB2  HIS  48           HB2      HIS  48  17.444   8.121   5.298
  410    HB3  HIS  48           HB1      HIS  48  16.665   7.688   3.781
  411    HD1  HIS  48           HD1      HIS  48  16.206   9.676   6.846
  412    HD2  HIS  48           HD2      HIS  48  13.883   8.387   3.651
  413    HE1  HIS  48           HE1      HIS  48  14.123  11.080   6.915
  414    HE2  HIS  48           HE2      HIS  48  12.840  10.427   4.849
  415    H    ILE  49           HN       ILE  49  16.416   5.013   3.212
  416    HA   ILE  49           HA       ILE  49  13.677   5.051   2.480
  417    HB   ILE  49           HB       ILE  49  15.948   3.314   1.491
  418   HG12  ILE  49          HG12      ILE  49  14.701   5.806   0.307
  419   HG13  ILE  49          HG11      ILE  49  16.234   5.762   1.172
  420   HG21  ILE  49          HG21      ILE  49  13.779   2.285   1.032
  421   HG22  ILE  49          HG22      ILE  49  14.554   2.849  -0.450
  422   HG23  ILE  49          HG23      ILE  49  13.233   3.775   0.263
  423   HD11  ILE  49          HD11      ILE  49  16.557   5.818  -1.239
  424   HD12  ILE  49          HD12      ILE  49  15.629   4.329  -1.404
  425   HD13  ILE  49          HD13      ILE  49  17.169   4.318  -0.548
  426    H    TYR  50           HN       TYR  50  15.763   2.466   3.792
  427    HA   TYR  50           HA       TYR  50  13.927   0.425   3.946
  428    HB2  TYR  50           HB2      TYR  50  16.322   0.168   4.446
  429    HB3  TYR  50           HB1      TYR  50  16.112   1.075   5.938
  430    HD1  TYR  50           HD1      TYR  50  16.128  -0.197   7.845
  431    HD2  TYR  50           HD2      TYR  50  14.480  -1.889   4.300
  432    HE1  TYR  50           HE1      TYR  50  15.666  -2.283   9.059
  433    HE2  TYR  50           HE2      TYR  50  14.018  -3.983   5.512
  434    HH   TYR  50           HH       TYR  50  14.790  -5.176   7.482
  435    H    GLN  51           HN       GLN  51  14.418   3.067   6.246
  436    HA   GLN  51           HA       GLN  51  12.664   2.126   8.244
  437    HB2  GLN  51           HB2      GLN  51  14.267   3.922   8.691
  438    HB3  GLN  51           HB1      GLN  51  13.461   4.958   7.522
  439    HG2  GLN  51           HG2      GLN  51  12.889   5.584   9.797
  440    HG3  GLN  51           HG1      GLN  51  11.473   5.028   8.911
  441   HE21  GLN  51          HE21      GLN  51  10.351   4.555  10.776
  442   HE22  GLN  51          HE22      GLN  51  10.733   3.195  11.775
  443    H    ARG  52           HN       ARG  52  12.128   4.278   5.477
  444    HA   ARG  52           HA       ARG  52   9.408   4.804   6.078
  445    HB2  ARG  52           HB2      ARG  52  10.898   4.997   3.455
  446    HB3  ARG  52           HB1      ARG  52   9.282   5.632   3.737
  447    HG2  ARG  52           HG2      ARG  52  11.818   6.526   5.098
  448    HG3  ARG  52           HG1      ARG  52  10.923   7.401   3.855
  449    HD2  ARG  52           HD2      ARG  52   8.966   7.449   5.409
  450    HD3  ARG  52           HD1      ARG  52   9.997   6.744   6.652
  451    HE   ARG  52           HE       ARG  52  10.644   9.340   5.398
  452   HH11  ARG  52          HH11      ARG  52  10.094   7.384   8.270
  453   HH12  ARG  52          HH12      ARG  52  10.502   8.672   9.362
  454   HH21  ARG  52          HH21      ARG  52  11.171  11.021   6.859
  455   HH22  ARG  52          HH22      ARG  52  11.099  10.724   8.568
  456    H    CYS  53           HN       CYS  53  11.040   2.295   4.318
  457    HA   CYS  53           HA       CYS  53   8.810   1.219   2.944
  458    HB2  CYS  53           HB2      CYS  53  11.088   0.556   2.340
  459    HB3  CYS  53           HB1      CYS  53  11.317  -0.180   3.929
  460    HG   CYS  53           HG       CYS  53  10.501  -1.711   1.300
  461    H    ILE  54           HN       ILE  54  10.242   0.466   6.094
  462    HA   ILE  54           HA       ILE  54   8.484  -1.522   6.912
  463    HB   ILE  54           HB       ILE  54   9.903   0.569   8.559
  464   HG12  ILE  54          HG12      ILE  54  10.533  -2.341   8.000
  465   HG13  ILE  54          HG11      ILE  54  11.374  -0.957   7.301
  466   HG21  ILE  54          HG21      ILE  54   9.500  -0.861  10.496
  467   HG22  ILE  54          HG22      ILE  54   8.530  -1.944   9.499
  468   HG23  ILE  54          HG23      ILE  54   7.984  -0.294   9.793
  469   HD11  ILE  54          HD11      ILE  54  12.150  -0.315   9.526
  470   HD12  ILE  54          HD12      ILE  54  12.651  -1.953   9.106
  471   HD13  ILE  54          HD13      ILE  54  11.307  -1.701  10.218
  472    H    GLN  55           HN       GLN  55   8.215   1.988   7.272
  473    HA   GLN  55           HA       GLN  55   5.885   2.013   8.839
  474    HB2  GLN  55           HB2      GLN  55   6.781   4.110   6.856
  475    HB3  GLN  55           HB1      GLN  55   5.704   4.354   8.224
  476    HG2  GLN  55           HG2      GLN  55   7.486   3.916   9.771
  477    HG3  GLN  55           HG1      GLN  55   8.574   3.490   8.452
  478   HE21  GLN  55          HE21      GLN  55   6.302   6.151   8.359
  479   HE22  GLN  55          HE22      GLN  55   7.490   7.407   8.357
  480    H    LEU  56           HN       LEU  56   6.246   2.505   5.325
  481    HA   LEU  56           HA       LEU  56   3.549   2.577   4.704
  482    HB2  LEU  56           HB2      LEU  56   5.767   1.487   2.969
  483    HB3  LEU  56           HB1      LEU  56   4.202   2.036   2.410
  484    HG   LEU  56           HG       LEU  56   6.363   3.749   3.639
  485   HD11  LEU  56          HD11      LEU  56   5.257   3.636   0.842
  486   HD12  LEU  56          HD12      LEU  56   6.839   3.050   1.358
  487   HD13  LEU  56          HD13      LEU  56   6.469   4.774   1.431
  488   HD21  LEU  56          HD21      LEU  56   4.210   4.602   4.311
  489   HD22  LEU  56          HD22      LEU  56   3.612   4.494   2.656
  490   HD23  LEU  56          HD23      LEU  56   4.888   5.642   3.058
  491    H    LYS  57           HN       LYS  57   5.676  -0.235   5.048
  492    HA   LYS  57           HA       LYS  57   3.912  -2.200   4.129
  493    HB2  LYS  57           HB2      LYS  57   6.209  -2.765   4.656
  494    HB3  LYS  57           HB1      LYS  57   5.969  -2.336   6.344
  495    HG2  LYS  57           HG2      LYS  57   4.250  -4.179   6.453
  496    HG3  LYS  57           HG1      LYS  57   4.811  -4.681   4.857
  497    HD2  LYS  57           HD2      LYS  57   6.655  -4.381   7.218
  498    HD3  LYS  57           HD1      LYS  57   5.827  -5.888   6.837
  499    HE2  LYS  57           HE2      LYS  57   7.590  -4.432   4.881
  500    HE3  LYS  57           HE1      LYS  57   8.184  -5.682   5.973
  501    HZ1  LYS  57           HZ1      LYS  57   7.641  -6.572   3.788
  502    HZ2  LYS  57           HZ2      LYS  57   6.038  -6.058   3.955
  503    HZ3  LYS  57           HZ3      LYS  57   6.653  -7.247   4.981
  504    H    GLN  58           HN       GLN  58   4.313  -0.805   7.354
  505    HA   GLN  58           HA       GLN  58   2.310  -2.250   8.672
  506    HB2  GLN  58           HB2      GLN  58   3.328   0.549   9.166
  507    HB3  GLN  58           HB1      GLN  58   2.258  -0.312  10.261
  508    HG2  GLN  58           HG2      GLN  58   3.935  -1.990  10.659
  509    HG3  GLN  58           HG1      GLN  58   4.998  -1.258   9.455
  510   HE21  GLN  58          HE21      GLN  58   4.327   1.459  10.266
  511   HE22  GLN  58          HE22      GLN  58   5.143   1.729  11.766
  512    H    ALA  59           HN       ALA  59   2.148   0.780   6.856
  513    HA   ALA  59           HA       ALA  59  -0.541   1.384   7.449
  514    HB1  ALA  59           HB1      ALA  59   1.099   2.206   5.055
  515    HB2  ALA  59           HB2      ALA  59   1.050   3.038   6.609
  516    HB3  ALA  59           HB3      ALA  59  -0.397   2.963   5.604
  517    H    ILE  60           HN       ILE  60   0.954  -0.349   4.731
  518    HA   ILE  60           HA       ILE  60  -1.457  -0.734   3.292
  519    HB   ILE  60           HB       ILE  60   1.096  -2.353   3.212
  520   HG12  ILE  60          HG12      ILE  60   0.099  -0.143   1.399
  521   HG13  ILE  60          HG11      ILE  60   1.331   0.055   2.641
  522   HG21  ILE  60          HG21      ILE  60  -1.202  -2.274   1.256
  523   HG22  ILE  60          HG22      ILE  60  -0.806  -3.615   2.328
  524   HG23  ILE  60          HG23      ILE  60   0.308  -3.159   1.041
  525   HD11  ILE  60          HD11      ILE  60   1.530  -1.700   0.205
  526   HD12  ILE  60          HD12      ILE  60   2.760  -1.548   1.459
  527   HD13  ILE  60          HD13      ILE  60   2.345  -0.157   0.456
  528    H    ASP  61           HN       ASP  61   0.304  -2.742   5.618
  529    HA   ASP  61           HA       ASP  61  -1.378  -4.990   5.577
  530    HB2  ASP  61           HB2      ASP  61   0.802  -5.031   6.700
  531    HB3  ASP  61           HB1      ASP  61   0.247  -3.834   7.868
  532    H    GLU  62           HN       GLU  62  -1.507  -2.018   7.425
  533    HA   GLU  62           HA       GLU  62  -3.680  -2.651   9.077
  534    HB2  GLU  62           HB2      GLU  62  -2.145  -0.736   9.426
  535    HB3  GLU  62           HB1      GLU  62  -2.870   0.071   8.043
  536    HG2  GLU  62           HG2      GLU  62  -5.015   0.126   9.192
  537    HG3  GLU  62           HG1      GLU  62  -4.298  -0.701  10.574
  538    H    ASN  63           HN       ASN  63  -3.578  -0.958   5.946
  539    HA   ASN  63           HA       ASN  63  -6.384  -0.629   5.748
  540    HB2  ASN  63           HB2      ASN  63  -4.150  -0.511   3.743
  541    HB3  ASN  63           HB1      ASN  63  -5.830  -0.409   3.227
  542   HD21  ASN  63          HD21      ASN  63  -5.593   1.697   2.497
  543   HD22  ASN  63          HD22      ASN  63  -5.420   3.034   3.583
  544    H    LYS  64           HN       LYS  64  -4.176  -3.135   4.552
  545    HA   LYS  64           HA       LYS  64  -5.990  -4.702   3.145
  546    HB2  LYS  64           HB2      LYS  64  -3.608  -5.140   3.111
  547    HB3  LYS  64           HB1      LYS  64  -3.608  -5.501   4.829
  548    HG2  LYS  64           HG2      LYS  64  -5.020  -7.470   4.387
  549    HG3  LYS  64           HG1      LYS  64  -4.920  -7.117   2.658
  550    HD2  LYS  64           HD2      LYS  64  -2.524  -7.400   2.695
  551    HD3  LYS  64           HD1      LYS  64  -2.540  -7.617   4.444
  552    HE2  LYS  64           HE2      LYS  64  -2.326  -9.760   3.307
  553    HE3  LYS  64           HE1      LYS  64  -3.855  -9.665   4.178
  554    HZ1  LYS  64           HZ1      LYS  64  -4.061 -10.618   1.938
  555    HZ2  LYS  64           HZ2      LYS  64  -3.546  -9.153   1.272
  556    HZ3  LYS  64           HZ3      LYS  64  -4.996  -9.228   2.138
  557    H    ASN  65           HN       ASN  65  -5.189  -4.743   6.599
  558    HA   ASN  65           HA       ASN  65  -6.966  -6.836   7.290
  559    HB2  ASN  65           HB2      ASN  65  -5.608  -4.674   8.885
  560    HB3  ASN  65           HB1      ASN  65  -6.717  -5.811   9.638
  561   HD21  ASN  65          HD21      ASN  65  -3.857  -5.417  10.059
  562   HD22  ASN  65          HD22      ASN  65  -3.115  -6.945   9.748
  563    H    ALA  66           HN       ALA  66  -7.293  -3.330   7.219
  564    HA   ALA  66           HA       ALA  66  -9.869  -3.191   8.367
  565    HB1  ALA  66           HB1      ALA  66  -9.975  -0.945   7.400
  566    HB2  ALA  66           HB2      ALA  66  -8.561  -1.301   6.408
  567    HB3  ALA  66           HB3      ALA  66  -8.413  -1.234   8.163
  568    H    LEU  67           HN       LEU  67  -8.724  -3.536   5.060
  569    HA   LEU  67           HA       LEU  67 -11.233  -3.350   3.792
  570    HB2  LEU  67           HB2      LEU  67  -9.125  -3.031   2.614
  571    HB3  LEU  67           HB1      LEU  67  -8.678  -4.698   2.913
  572    HG   LEU  67           HG       LEU  67 -10.541  -5.445   1.488
  573   HD11  LEU  67          HD11      LEU  67 -12.071  -3.591   1.779
  574   HD12  LEU  67          HD12      LEU  67 -11.704  -3.815   0.070
  575   HD13  LEU  67          HD13      LEU  67 -10.942  -2.505   0.970
  576   HD21  LEU  67          HD21      LEU  67  -8.675  -3.466   0.196
  577   HD22  LEU  67          HD22      LEU  67  -9.568  -4.735  -0.642
  578   HD23  LEU  67          HD23      LEU  67  -8.326  -5.160   0.535
  579    H    GLN  68           HN       GLN  68  -9.315  -6.160   4.853
  580    HA   GLN  68           HA       GLN  68 -11.067  -8.153   3.987
  581    HB2  GLN  68           HB2      GLN  68  -8.765  -8.545   4.847
  582    HB3  GLN  68           HB1      GLN  68  -9.347  -8.215   6.474
  583    HG2  GLN  68           HG2      GLN  68 -10.921 -10.116   6.240
  584    HG3  GLN  68           HG1      GLN  68 -10.191 -10.478   4.678
  585   HE21  GLN  68          HE21      GLN  68  -8.417  -9.349   7.483
  586   HE22  GLN  68          HE22      GLN  68  -7.534 -10.811   7.743
  587    H    LYS  69           HN       LYS  69 -11.233  -6.037   6.725
  588    HA   LYS  69           HA       LYS  69 -13.179  -7.548   8.184
  589    HB2  LYS  69           HB2      LYS  69 -11.555  -5.947   9.215
  590    HB3  LYS  69           HB1      LYS  69 -12.415  -4.627   8.440
  591    HG2  LYS  69           HG2      LYS  69 -14.390  -5.106   9.748
  592    HG3  LYS  69           HG1      LYS  69 -13.600  -6.504  10.477
  593    HD2  LYS  69           HD2      LYS  69 -11.915  -5.047  11.470
  594    HD3  LYS  69           HD1      LYS  69 -12.680  -3.642  10.725
  595    HE2  LYS  69           HE2      LYS  69 -14.039  -5.484  12.685
  596    HE3  LYS  69           HE1      LYS  69 -13.256  -3.970  13.128
  597    HZ1  LYS  69           HZ1      LYS  69 -14.801  -2.792  11.692
  598    HZ2  LYS  69           HZ2      LYS  69 -15.633  -3.691  12.856
  599    HZ3  LYS  69           HZ3      LYS  69 -15.551  -4.248  11.263
  600    H    LEU  70           HN       LEU  70 -13.289  -5.524   5.476
  601    HA   LEU  70           HA       LEU  70 -16.141  -4.912   5.832
  602    HB2  LEU  70           HB2      LEU  70 -14.186  -3.892   3.765
  603    HB3  LEU  70           HB1      LEU  70 -15.842  -3.358   3.961
  604    HG   LEU  70           HG       LEU  70 -13.674  -2.989   6.027
  605   HD11  LEU  70          HD11      LEU  70 -14.841  -1.009   4.076
  606   HD12  LEU  70          HD12      LEU  70 -13.216  -1.692   4.008
  607   HD13  LEU  70          HD13      LEU  70 -13.680  -0.648   5.352
  608   HD21  LEU  70          HD21      LEU  70 -15.288  -1.424   7.030
  609   HD22  LEU  70          HD22      LEU  70 -15.883  -3.083   7.006
  610   HD23  LEU  70          HD23      LEU  70 -16.484  -1.914   5.831
  611    H    SER  71           HN       SER  71 -15.888  -7.526   5.411
  612    HA   SER  71           HA       SER  71 -16.020  -7.973   2.511
  613    HB2  SER  71           HB2      SER  71 -14.348  -9.272   3.894
  614    HB3  SER  71           HB1      SER  71 -15.719 -10.064   4.673
  615    HG   SER  71           HG       SER  71 -14.910 -11.279   2.918
  616    H    LYS  72           HN       LYS  72 -17.636  -9.405   1.668
  617    HA   LYS  72           HA       LYS  72 -19.788  -9.985   1.273
  618    HB2  LYS  72           HB2      LYS  72 -19.813 -10.554   4.250
  619    HB3  LYS  72           HB1      LYS  72 -20.969 -11.177   3.078
  620    HG2  LYS  72           HG2      LYS  72 -19.092 -12.366   1.937
  621    HG3  LYS  72           HG1      LYS  72 -18.016 -11.826   3.231
  622    HD2  LYS  72           HD2      LYS  72 -19.523 -12.968   4.866
  623    HD3  LYS  72           HD1      LYS  72 -20.442 -13.612   3.502
  624    HE2  LYS  72           HE2      LYS  72 -17.522 -14.104   4.077
  625    HE3  LYS  72           HE1      LYS  72 -18.837 -15.248   4.327
  626    HZ1  LYS  72           HZ1      LYS  72 -17.632 -15.675   2.275
  627    HZ2  LYS  72           HZ2      LYS  72 -18.010 -14.133   1.703
  628    HZ3  LYS  72           HZ3      LYS  72 -19.240 -15.266   1.957
  629    H    ALA  73           HN       ALA  73 -19.267  -7.222   1.865
  630    HA   ALA  73           HA       ALA  73 -21.341  -6.250   3.599
  631    HB1  ALA  73           HB1      ALA  73 -19.503  -4.734   1.760
  632    HB2  ALA  73           HB2      ALA  73 -19.177  -5.125   3.449
  633    HB3  ALA  73           HB3      ALA  73 -20.507  -4.043   3.035
  634    H    ASP  74           HN       ASP  74 -21.036  -6.904   0.214
  635    HA   ASP  74           HA       ASP  74 -23.208  -5.131  -0.535
  636    HB2  ASP  74           HB2      ASP  74 -21.278  -5.613  -2.071
  637    HB3  ASP  74           HB1      ASP  74 -21.872  -7.263  -2.221
  638    H    GLU  75           HN       GLU  75 -22.753  -8.409   0.385
  639    HA   GLU  75           HA       GLU  75 -24.187 -10.064   0.955
  640    HB2  GLU  75           HB2      GLU  75 -26.316  -7.958   0.552
  641    HB3  GLU  75           HB1      GLU  75 -26.564  -9.519   1.319
  642    HG2  GLU  75           HG2      GLU  75 -25.154  -8.932   3.142
  643    HG3  GLU  75           HG1      GLU  75 -24.628  -7.456   2.330
  644    H    SER  76           HN       SER  76 -26.218 -11.276   0.119
  645    HA   SER  76           HA       SER  76 -27.318 -12.391  -1.507
  646    HB2  SER  76           HB2      SER  76 -28.045 -10.076  -2.166
  647    HB3  SER  76           HB1      SER  76 -26.712 -10.039  -3.314
  648    HG   SER  76           HG       SER  76 -29.005 -11.698  -3.314
  649    H    ALA  77           HN       ALA  77 -26.946 -12.913  -4.119
  650    HA   ALA  77           HA       ALA  77 -24.338 -14.187  -4.102
  651    HB1  ALA  77           HB1      ALA  77 -25.138 -15.507  -5.962
  652    HB2  ALA  77           HB2      ALA  77 -26.592 -14.517  -6.067
  653    HB3  ALA  77           HB3      ALA  77 -26.310 -15.520  -4.646
  654    HA   PRO  78           HA       PRO  78 -23.960 -11.720  -8.269
  655    HB2  PRO  78           HB2      PRO  78 -25.558  -9.544  -8.589
  656    HB3  PRO  78           HB1      PRO  78 -26.004 -11.154  -9.168
  657    HG2  PRO  78           HG2      PRO  78 -26.834  -9.748  -6.657
  658    HG3  PRO  78           HG1      PRO  78 -27.827 -10.675  -7.797
  659    HD2  PRO  78           HD2      PRO  78 -26.966 -11.735  -5.476
  660    HD3  PRO  78           HD1      PRO  78 -27.124 -12.708  -6.951
  661    H    VAL  79           HN       VAL  79 -22.205 -11.332  -6.717
  662    HA   VAL  79           HA       VAL  79 -22.086  -8.551  -5.769
  663    HB   VAL  79           HB       VAL  79 -20.179  -9.358  -4.348
  664   HG11  VAL  79          HG11      VAL  79 -22.838 -10.712  -3.925
  665   HG12  VAL  79          HG12      VAL  79 -22.420  -9.070  -3.434
  666   HG13  VAL  79          HG13      VAL  79 -21.608 -10.447  -2.690
  667   HG21  VAL  79          HG21      VAL  79 -21.146 -12.087  -5.187
  668   HG22  VAL  79          HG22      VAL  79 -19.907 -11.739  -3.983
  669   HG23  VAL  79          HG23      VAL  79 -19.622 -11.348  -5.678
  670    H    ALA  80           HN       ALA  80 -21.577  -9.533  -8.513
  671    HA   ALA  80           HA       ALA  80 -18.906  -9.900  -9.131
  672    HB1  ALA  80           HB1      ALA  80 -19.501  -9.263 -11.403
  673    HB2  ALA  80           HB2      ALA  80 -21.020  -8.584 -10.820
  674    HB3  ALA  80           HB3      ALA  80 -20.722 -10.318 -10.693
  675    H    ASN  81           HN       ASN  81 -20.746  -6.882  -9.068
  676    HA   ASN  81           HA       ASN  81 -18.587  -5.256  -9.940
  677    HB2  ASN  81           HB2      ASN  81 -21.247  -4.639  -8.670
  678    HB3  ASN  81           HB1      ASN  81 -20.068  -3.369  -8.972
  679   HD21  ASN  81          HD21      ASN  81 -22.207  -5.699 -10.430
  680   HD22  ASN  81          HD22      ASN  81 -22.173  -5.023 -12.021
  681    H    TYR  82           HN       TYR  82 -20.000  -5.809  -6.723
  682    HA   TYR  82           HA       TYR  82 -18.294  -3.945  -5.435
  683    HB2  TYR  82           HB2      TYR  82 -20.534  -4.818  -4.585
  684    HB3  TYR  82           HB1      TYR  82 -19.685  -6.279  -4.107
  685    HD1  TYR  82           HD1      TYR  82 -18.055  -6.216  -2.231
  686    HD2  TYR  82           HD2      TYR  82 -20.303  -2.770  -3.345
  687    HE1  TYR  82           HE1      TYR  82 -17.515  -5.169  -0.077
  688    HE2  TYR  82           HE2      TYR  82 -19.751  -1.717  -1.198
  689    HH   TYR  82           HH       TYR  82 -19.104  -2.424   1.079
  690    H    ASN  83           HN       ASN  83 -18.138  -7.470  -5.863
  691    HA   ASN  83           HA       ASN  83 -15.824  -7.739  -4.225
  692    HB2  ASN  83           HB2      ASN  83 -17.217  -9.583  -6.138
  693    HB3  ASN  83           HB1      ASN  83 -15.653 -10.015  -5.455
  694   HD21  ASN  83          HD21      ASN  83 -16.489 -11.754  -4.309
  695   HD22  ASN  83          HD22      ASN  83 -17.480 -11.544  -2.908
  696    H    GLN  84           HN       GLN  84 -16.330  -7.008  -7.596
  697    HA   GLN  84           HA       GLN  84 -13.725  -7.615  -8.497
  698    HB2  GLN  84           HB2      GLN  84 -15.527  -7.237 -10.083
  699    HB3  GLN  84           HB1      GLN  84 -15.704  -5.578  -9.528
  700    HG2  GLN  84           HG2      GLN  84 -13.565  -4.983 -10.409
  701    HG3  GLN  84           HG1      GLN  84 -13.203  -6.664 -10.792
  702   HE21  GLN  84          HE21      GLN  84 -13.320  -4.273 -12.487
  703   HE22  GLN  84          HE22      GLN  84 -14.438  -4.658 -13.749
  704    H    ARG  85           HN       ARG  85 -15.169  -4.595  -7.327
  705    HA   ARG  85           HA       ARG  85 -12.817  -3.042  -7.513
  706    HB2  ARG  85           HB2      ARG  85 -15.027  -2.019  -7.286
  707    HB3  ARG  85           HB1      ARG  85 -15.213  -2.731  -5.690
  708    HG2  ARG  85           HG2      ARG  85 -13.487  -1.347  -4.794
  709    HG3  ARG  85           HG1      ARG  85 -13.062  -0.754  -6.399
  710    HD2  ARG  85           HD2      ARG  85 -15.721  -0.326  -5.049
  711    HD3  ARG  85           HD1      ARG  85 -14.412   0.853  -5.088
  712    HE   ARG  85           HE       ARG  85 -14.916   0.151  -7.717
  713   HH11  ARG  85          HH11      ARG  85 -16.732   1.611  -5.090
  714   HH12  ARG  85          HH12      ARG  85 -17.691   2.596  -6.145
  715   HH21  ARG  85          HH21      ARG  85 -16.172   1.434  -9.096
  716   HH22  ARG  85          HH22      ARG  85 -17.381   2.489  -8.433
  717    H    LYS  86           HN       LYS  86 -14.199  -5.006  -4.943
  718    HA   LYS  86           HA       LYS  86 -12.320  -4.431  -2.938
  719    HB2  LYS  86           HB2      LYS  86 -14.358  -5.511  -2.342
  720    HB3  LYS  86           HB1      LYS  86 -14.079  -6.824  -3.481
  721    HG2  LYS  86           HG2      LYS  86 -12.133  -7.538  -2.088
  722    HG3  LYS  86           HG1      LYS  86 -12.588  -6.300  -0.909
  723    HD2  LYS  86           HD2      LYS  86 -14.356  -8.583  -1.806
  724    HD3  LYS  86           HD1      LYS  86 -13.422  -8.548  -0.312
  725    HE2  LYS  86           HE2      LYS  86 -15.712  -6.739  -1.082
  726    HE3  LYS  86           HE1      LYS  86 -15.681  -7.944   0.201
  727    HZ1  LYS  86           HZ1      LYS  86 -14.194  -5.389   0.104
  728    HZ2  LYS  86           HZ2      LYS  86 -13.858  -6.604   1.223
  729    HZ3  LYS  86           HZ3      LYS  86 -15.376  -5.856   1.222
  730    H    GLU  87           HN       GLU  87 -12.407  -6.888  -5.461
  731    HA   GLU  87           HA       GLU  87 -10.048  -8.259  -4.740
  732    HB2  GLU  87           HB2      GLU  87 -11.774  -9.227  -6.171
  733    HB3  GLU  87           HB1      GLU  87 -11.473  -8.005  -7.394
  734    HG2  GLU  87           HG2      GLU  87  -9.182  -8.909  -7.652
  735    HG3  GLU  87           HG1      GLU  87  -9.616 -10.202  -6.533
  736    H    GLU  88           HN       GLU  88 -10.696  -5.522  -6.866
  737    HA   GLU  88           HA       GLU  88  -8.141  -5.390  -8.051
  738    HB2  GLU  88           HB2      GLU  88 -10.171  -4.265  -8.931
  739    HB3  GLU  88           HB1      GLU  88 -10.096  -3.136  -7.590
  740    HG2  GLU  88           HG2      GLU  88  -8.027  -2.237  -8.368
  741    HG3  GLU  88           HG1      GLU  88  -7.894  -3.486  -9.603
  742    H    GLU  89           HN       GLU  89  -9.503  -3.873  -5.150
  743    HA   GLU  89           HA       GLU  89  -7.240  -2.365  -4.447
  744    HB2  GLU  89           HB2      GLU  89  -9.259  -3.673  -2.611
  745    HB3  GLU  89           HB1      GLU  89  -8.106  -2.437  -2.133
  746    HG2  GLU  89           HG2      GLU  89 -10.408  -2.144  -4.041
  747    HG3  GLU  89           HG1      GLU  89 -10.219  -1.395  -2.454
  748    H    HIS  90           HN       HIS  90  -8.149  -5.702  -3.630
  749    HA   HIS  90           HA       HIS  90  -5.897  -6.333  -2.084
  750    HB2  HIS  90           HB2      HIS  90  -7.817  -7.962  -3.698
  751    HB3  HIS  90           HB1      HIS  90  -6.338  -8.729  -3.138
  752    HD1  HIS  90           HD1      HIS  90  -6.425  -9.699  -0.863
  753    HD2  HIS  90           HD2      HIS  90  -9.366  -6.829  -1.448
  754    HE1  HIS  90           HE1      HIS  90  -7.836  -9.747   1.215
  755    HE2  HIS  90           HE2      HIS  90  -9.745  -8.183   0.720
  756    H    THR  91           HN       THR  91  -6.414  -6.469  -5.569
  757    HA   THR  91           HA       THR  91  -3.976  -7.672  -6.271
  758    HB   THR  91           HB       THR  91  -5.612  -5.729  -7.916
  759    HG1  THR  91           HG1      THR  91  -6.902  -7.472  -7.219
  760   HG21  THR  91          HG21      THR  91  -3.386  -6.184  -8.846
  761   HG22  THR  91          HG22      THR  91  -4.656  -6.900  -9.839
  762   HG23  THR  91          HG23      THR  91  -3.704  -7.917  -8.757
  763    H    LEU  92           HN       LEU  92  -4.891  -4.268  -5.850
  764    HA   LEU  92           HA       LEU  92  -2.415  -3.230  -6.820
  765    HB2  LEU  92           HB2      LEU  92  -4.408  -1.854  -6.869
  766    HB3  LEU  92           HB1      LEU  92  -4.563  -1.957  -5.124
  767    HG   LEU  92           HG       LEU  92  -2.277  -0.827  -5.010
  768   HD11  LEU  92          HD11      LEU  92  -2.962  -0.184  -7.873
  769   HD12  LEU  92          HD12      LEU  92  -1.622  -1.194  -7.327
  770   HD13  LEU  92          HD13      LEU  92  -1.648   0.526  -6.936
  771   HD21  LEU  92          HD21      LEU  92  -4.350   0.292  -4.429
  772   HD22  LEU  92          HD22      LEU  92  -4.618   0.695  -6.125
  773   HD23  LEU  92          HD23      LEU  92  -3.250   1.393  -5.259
  774    H    LEU  93           HN       LEU  93  -3.786  -3.605  -3.549
  775    HA   LEU  93           HA       LEU  93  -1.553  -2.552  -2.202
  776    HB2  LEU  93           HB2      LEU  93  -3.854  -4.268  -1.348
  777    HB3  LEU  93           HB1      LEU  93  -2.511  -4.028  -0.251
  778    HG   LEU  93           HG       LEU  93  -2.886  -1.600  -0.306
  779   HD11  LEU  93          HD11      LEU  93  -4.901  -0.680  -1.334
  780   HD12  LEU  93          HD12      LEU  93  -5.260  -2.255  -2.041
  781   HD13  LEU  93          HD13      LEU  93  -3.816  -1.374  -2.538
  782   HD21  LEU  93          HD21      LEU  93  -5.341  -3.220   0.352
  783   HD22  LEU  93          HD22      LEU  93  -5.006  -1.586   0.924
  784   HD23  LEU  93          HD23      LEU  93  -3.965  -2.922   1.416
  785    H    ASP  94           HN       ASP  94  -2.286  -5.786  -3.334
  786    HA   ASP  94           HA       ASP  94  -0.195  -7.131  -1.992
  787    HB2  ASP  94           HB2      ASP  94  -2.010  -8.355  -3.107
  788    HB3  ASP  94           HB1      ASP  94  -1.476  -7.748  -4.673
  789    H    LYS  95           HN       LYS  95  -0.324  -5.683  -5.273
  790    HA   LYS  95           HA       LYS  95   2.337  -6.059  -5.954
  791    HB2  LYS  95           HB2      LYS  95   0.574  -5.316  -7.510
  792    HB3  LYS  95           HB1      LYS  95   0.495  -3.769  -6.679
  793    HG2  LYS  95           HG2      LYS  95   2.862  -3.363  -7.330
  794    HG3  LYS  95           HG1      LYS  95   2.807  -4.850  -8.284
  795    HD2  LYS  95           HD2      LYS  95   0.867  -3.894  -9.526
  796    HD3  LYS  95           HD1      LYS  95   1.117  -2.380  -8.659
  797    HE2  LYS  95           HE2      LYS  95   2.158  -2.252 -10.834
  798    HE3  LYS  95           HE1      LYS  95   3.399  -2.259  -9.583
  799    HZ1  LYS  95           HZ1      LYS  95   3.923  -3.708 -11.478
  800    HZ2  LYS  95           HZ2      LYS  95   2.563  -4.649 -11.131
  801    HZ3  LYS  95           HZ3      LYS  95   3.834  -4.561 -10.022
  802    H    LEU  96           HN       LEU  96   0.808  -3.330  -4.294
  803    HA   LEU  96           HA       LEU  96   3.066  -1.716  -4.032
  804    HB2  LEU  96           HB2      LEU  96   0.803  -1.997  -2.050
  805    HB3  LEU  96           HB1      LEU  96   1.940  -0.666  -2.125
  806    HG   LEU  96           HG       LEU  96  -0.098  -1.368  -4.241
  807   HD11  LEU  96          HD11      LEU  96   0.039   0.923  -2.288
  808   HD12  LEU  96          HD12      LEU  96  -1.115  -0.410  -2.256
  809   HD13  LEU  96          HD13      LEU  96  -1.142   0.749  -3.584
  810   HD21  LEU  96          HD21      LEU  96   1.820   0.954  -4.099
  811   HD22  LEU  96          HD22      LEU  96   0.587   0.688  -5.332
  812   HD23  LEU  96          HD23      LEU  96   1.952  -0.420  -5.198
  813    H    THR  97           HN       THR  97   1.829  -4.196  -1.815
  814    HA   THR  97           HA       THR  97   3.864  -4.133   0.068
  815    HB   THR  97           HB       THR  97   2.436  -6.622  -0.899
  816    HG1  THR  97           HG1      THR  97   0.963  -4.933  -0.297
  817   HG21  THR  97          HG21      THR  97   3.672  -5.934   1.771
  818   HG22  THR  97          HG22      THR  97   4.345  -7.049   0.581
  819   HG23  THR  97          HG23      THR  97   2.818  -7.430   1.379
  820    H    GLN  98           HN       GLN  98   3.697  -5.887  -3.018
  821    HA   GLN  98           HA       GLN  98   6.078  -7.346  -2.740
  822    HB2  GLN  98           HB2      GLN  98   4.432  -7.913  -4.431
  823    HB3  GLN  98           HB1      GLN  98   4.675  -6.371  -5.235
  824    HG2  GLN  98           HG2      GLN  98   6.986  -7.022  -5.746
  825    HG3  GLN  98           HG1      GLN  98   6.703  -8.580  -4.976
  826   HE21  GLN  98          HE21      GLN  98   3.971  -8.763  -5.996
  827   HE22  GLN  98          HE22      GLN  98   4.115  -9.160  -7.671
  828    H    GLN  99           HN       GLN  99   5.446  -4.203  -4.248
  829    HA   GLN  99           HA       GLN  99   8.014  -3.772  -5.279
  830    HB2  GLN  99           HB2      GLN  99   5.934  -1.769  -4.391
  831    HB3  GLN  99           HB1      GLN  99   7.356  -1.377  -5.348
  832    HG2  GLN  99           HG2      GLN  99   6.575  -2.744  -7.165
  833    HG3  GLN  99           HG1      GLN  99   5.214  -3.311  -6.199
  834   HE21  GLN  99          HE21      GLN  99   3.492  -1.919  -5.802
  835   HE22  GLN  99          HE22      GLN  99   3.232  -0.486  -6.735
  836    H    LEU 100           HN       LEU 100   6.619  -2.979  -2.137
  837    HA   LEU 100           HA       LEU 100   8.954  -1.628  -1.185
  838    HB2  LEU 100           HB2      LEU 100   6.599  -2.809   0.287
  839    HB3  LEU 100           HB1      LEU 100   7.849  -1.837   1.039
  840    HG   LEU 100           HG       LEU 100   5.972  -0.882  -1.125
  841   HD11  LEU 100          HD11      LEU 100   4.809  -1.287   0.965
  842   HD12  LEU 100          HD12      LEU 100   4.956   0.443   0.663
  843   HD13  LEU 100          HD13      LEU 100   6.013  -0.339   1.838
  844   HD21  LEU 100          HD21      LEU 100   8.035   0.579   0.519
  845   HD22  LEU 100          HD22      LEU 100   6.865   1.341  -0.558
  846   HD23  LEU 100          HD23      LEU 100   8.101   0.269  -1.216
  847    H    GLN 101           HN       GLN 101   7.648  -4.880  -0.871
  848    HA   GLN 101           HA       GLN 101   9.481  -5.849   1.027
  849    HB2  GLN 101           HB2      GLN 101   7.334  -6.927   0.516
  850    HB3  GLN 101           HB1      GLN 101   7.905  -7.334  -1.090
  851    HG2  GLN 101           HG2      GLN 101   9.376  -8.328   1.310
  852    HG3  GLN 101           HG1      GLN 101   7.889  -9.119   0.794
  853   HE21  GLN 101          HE21      GLN 101  10.548 -10.221   0.870
  854   HE22  GLN 101          HE22      GLN 101  10.941 -10.685  -0.750
  855    H    GLY 102           HN       GLY 102   9.490  -5.966  -2.531
  856    HA2  GLY 102           HA2      GLY 102  11.930  -7.337  -2.830
  857    HA3  GLY 102           HA1      GLY 102  11.225  -6.244  -4.013
  858    H    LEU 103           HN       LEU 103  11.198  -3.901  -2.517
  859    HA   LEU 103           HA       LEU 103  13.804  -2.921  -2.900
  860    HB2  LEU 103           HB2      LEU 103  11.820  -1.502  -3.012
  861    HB3  LEU 103           HB1      LEU 103  11.490  -1.788  -1.315
  862    HG   LEU 103           HG       LEU 103  13.585  -0.592  -0.731
  863   HD11  LEU 103          HD11      LEU 103  13.689  -0.019  -3.690
  864   HD12  LEU 103          HD12      LEU 103  14.836  -0.995  -2.773
  865   HD13  LEU 103          HD13      LEU 103  14.704   0.736  -2.462
  866   HD21  LEU 103          HD21      LEU 103  12.755   1.640  -1.257
  867   HD22  LEU 103          HD22      LEU 103  11.442   0.574  -0.757
  868   HD23  LEU 103          HD23      LEU 103  11.665   0.958  -2.464
  869    H    ALA 104           HN       ALA 104  12.049  -3.835   0.041
  870    HA   ALA 104           HA       ALA 104  13.968  -2.983   1.893
  871    HB1  ALA 104           HB1      ALA 104  11.694  -3.493   2.546
  872    HB2  ALA 104           HB2      ALA 104  12.829  -4.464   3.485
  873    HB3  ALA 104           HB3      ALA 104  11.937  -5.197   2.150
  874    H    VAL 105           HN       VAL 105  13.473  -6.179   0.416
  875    HA   VAL 105           HA       VAL 105  15.569  -7.487   1.753
  876    HB   VAL 105           HB       VAL 105  14.344  -8.064  -0.943
  877   HG11  VAL 105          HG11      VAL 105  16.572  -9.051  -0.822
  878   HG12  VAL 105          HG12      VAL 105  15.320 -10.293  -0.760
  879   HG13  VAL 105          HG13      VAL 105  16.155  -9.808   0.716
  880   HG21  VAL 105          HG21      VAL 105  12.777  -8.235   0.885
  881   HG22  VAL 105          HG22      VAL 105  13.903  -9.252   1.784
  882   HG23  VAL 105          HG23      VAL 105  13.182  -9.845   0.291
  883    H    THR 106           HN       THR 106  15.484  -5.636  -1.232
  884    HA   THR 106           HA       THR 106  18.094  -6.131  -2.118
  885    HB   THR 106           HB       THR 106  16.379  -3.669  -2.494
  886    HG1  THR 106           HG1      THR 106  15.314  -5.367  -3.407
  887   HG21  THR 106          HG21      THR 106  17.734  -3.206  -4.458
  888   HG22  THR 106          HG22      THR 106  18.743  -4.611  -4.116
  889   HG23  THR 106          HG23      THR 106  18.747  -3.234  -3.013
  890    H    ILE 107           HN       ILE 107  16.824  -3.901   0.270
  891    HA   ILE 107           HA       ILE 107  19.298  -2.473   0.589
  892    HB   ILE 107           HB       ILE 107  16.806  -2.504   2.291
  893   HG12  ILE 107          HG12      ILE 107  17.821  -0.430   0.332
  894   HG13  ILE 107          HG11      ILE 107  16.563  -1.608  -0.028
  895   HG21  ILE 107          HG21      ILE 107  18.587  -1.850   3.709
  896   HG22  ILE 107          HG22      ILE 107  17.766  -0.368   3.217
  897   HG23  ILE 107          HG23      ILE 107  19.291  -0.821   2.464
  898   HD11  ILE 107          HD11      ILE 107  15.612   0.551   0.502
  899   HD12  ILE 107          HD12      ILE 107  16.427   0.546   2.066
  900   HD13  ILE 107          HD13      ILE 107  15.166  -0.639   1.723
  901    H    SER 108           HN       SER 108  17.598  -5.064   2.294
  902    HA   SER 108           HA       SER 108  19.447  -5.189   4.462
  903    HB2  SER 108           HB2      SER 108  17.519  -7.308   3.476
  904    HB3  SER 108           HB1      SER 108  18.285  -7.251   5.064
  905    HG   SER 108           HG       SER 108  17.197  -5.203   5.354
  906    H    ARG 109           HN       ARG 109  19.506  -6.285   1.241
  907    HA   ARG 109           HA       ARG 109  21.965  -7.778   1.786
  908    HB2  ARG 109           HB2      ARG 109  20.171  -9.387   1.316
  909    HB3  ARG 109           HB1      ARG 109  19.804  -8.550  -0.184
  910    HG2  ARG 109           HG2      ARG 109  22.019  -9.132  -1.043
  911    HG3  ARG 109           HG1      ARG 109  22.366  -9.994   0.459
  912    HD2  ARG 109           HD2      ARG 109  21.642 -11.507  -1.338
  913    HD3  ARG 109           HD1      ARG 109  20.542 -11.528   0.038
  914    HE   ARG 109           HE       ARG 109  19.800  -9.704  -2.081
  915   HH11  ARG 109          HH11      ARG 109  19.482 -12.947  -0.804
  916   HH12  ARG 109          HH12      ARG 109  17.983 -13.256  -1.619
  917   HH21  ARG 109          HH21      ARG 109  17.839 -10.116  -3.175
  918   HH22  ARG 109          HH22      ARG 109  17.054 -11.653  -2.977
  919    H    GLU 110           HN       GLU 110  23.058  -5.844   1.273
  920    HA   GLU 110           HA       GLU 110  22.643  -4.511  -1.226
  921    HB2  GLU 110           HB2      GLU 110  24.938  -4.231   0.723
  922    HB3  GLU 110           HB1      GLU 110  24.508  -3.096  -0.549
  923    HG2  GLU 110           HG2      GLU 110  22.407  -2.605   0.575
  924    HG3  GLU 110           HG1      GLU 110  22.788  -3.783   1.829
  925    H    ASN 111           HN       ASN 111  22.960  -6.143  -2.771
  926    HA   ASN 111           HA       ASN 111  25.377  -7.665  -2.897
  927    HB2  ASN 111           HB2      ASN 111  23.096  -7.288  -4.839
  928    HB3  ASN 111           HB1      ASN 111  24.494  -8.289  -5.205
  929   HD21  ASN 111          HD21      ASN 111  21.709  -9.043  -4.974
  930   HD22  ASN 111          HD22      ASN 111  21.636 -10.248  -3.736
  931    H    ILE 112           HN       ILE 112  26.924  -5.940  -2.834
  932    HA   ILE 112           HA       ILE 112  27.189  -4.278  -5.194
  933    HB   ILE 112           HB       ILE 112  29.218  -4.642  -2.988
  934   HG12  ILE 112          HG12      ILE 112  27.092  -2.504  -3.129
  935   HG13  ILE 112          HG11      ILE 112  26.919  -3.956  -2.160
  936   HG21  ILE 112          HG21      ILE 112  30.036  -3.565  -5.017
  937   HG22  ILE 112          HG22      ILE 112  29.965  -2.419  -3.678
  938   HG23  ILE 112          HG23      ILE 112  28.723  -2.392  -4.929
  939   HD11  ILE 112          HD11      ILE 112  27.655  -2.048  -0.834
  940   HD12  ILE 112          HD12      ILE 112  29.088  -1.897  -1.849
  941   HD13  ILE 112          HD13      ILE 112  28.862  -3.332  -0.849
  942    H    THR 113           HN       THR 113  27.146  -6.305  -6.507
  943    HA   THR 113           HA       THR 113  29.467  -8.027  -6.304
  944    HB   THR 113           HB       THR 113  28.317  -9.312  -8.132
  945    HG1  THR 113           HG1      THR 113  27.024  -7.827  -9.122
  946   HG21  THR 113          HG21      THR 113  28.002  -9.939  -5.801
  947   HG22  THR 113          HG22      THR 113  26.495 -10.144  -6.691
  948   HG23  THR 113          HG23      THR 113  26.711  -8.750  -5.635
  949    H    GLU 114           HN       GLU 114  31.119  -8.138  -7.709
  950    HA   GLU 114           HA       GLU 114  30.992  -7.002 -10.331
  951    HB2  GLU 114           HB2      GLU 114  32.999  -5.507  -9.922
  952    HB3  GLU 114           HB1      GLU 114  31.476  -4.947  -9.262
  953    HG2  GLU 114           HG2      GLU 114  32.132  -5.818  -7.060
  954    HG3  GLU 114           HG1      GLU 114  33.684  -6.299  -7.739
  955    H    VAL 115           HN       VAL 115  32.451  -7.944 -11.674
  956    HA   VAL 115           HA       VAL 115  34.127 -10.022 -10.479
  957    HB   VAL 115           HB       VAL 115  34.358 -10.865 -12.839
  958   HG11  VAL 115          HG11      VAL 115  32.766 -11.830 -11.264
  959   HG12  VAL 115          HG12      VAL 115  32.119 -11.843 -12.904
  960   HG13  VAL 115          HG13      VAL 115  31.555 -10.640 -11.745
  961   HG21  VAL 115          HG21      VAL 115  33.838  -8.756 -13.998
  962   HG22  VAL 115          HG22      VAL 115  32.177  -8.853 -13.412
  963   HG23  VAL 115          HG23      VAL 115  32.792 -10.074 -14.524
  964    H    GLY 116           HN       GLY 116  35.155  -7.633  -9.984
  965    HA2  GLY 116           HA2      GLY 116  37.298  -6.710 -10.071
  966    HA3  GLY 116           HA1      GLY 116  37.604  -7.619 -11.545
  967    H    ALA 117           HN       ALA 117  38.551  -5.375 -11.985
  968    HA   ALA 117           HA       ALA 117  36.541  -3.895 -13.518
  969    HB1  ALA 117           HB1      ALA 117  38.568  -2.597 -11.696
  970    HB2  ALA 117           HB2      ALA 117  36.828  -2.672 -11.418
  971    HB3  ALA 117           HB3      ALA 117  37.465  -1.753 -12.782
  972    HA   PRO 118           HA       PRO 118  40.370  -4.741 -15.955
  973    HB2  PRO 118           HB2      PRO 118  39.208  -5.865 -18.093
  974    HB3  PRO 118           HB1      PRO 118  39.482  -6.783 -16.608
  975    HG2  PRO 118           HG2      PRO 118  36.969  -5.510 -17.613
  976    HG3  PRO 118           HG1      PRO 118  37.191  -7.092 -16.841
  977    HD2  PRO 118           HD2      PRO 118  36.308  -4.834 -15.535
  978    HD3  PRO 118           HD1      PRO 118  37.103  -6.203 -14.736
  979    H    THR 119           HN       THR 119  39.422  -2.212 -15.717
  980    HA   THR 119           HA       THR 119  38.962  -1.324 -18.480
  981    HB   THR 119           HB       THR 119  37.074  -0.636 -17.268
  982    HG1  THR 119           HG1      THR 119  38.456   1.745 -16.849
  983   HG21  THR 119          HG21      THR 119  37.146   0.502 -15.099
  984   HG22  THR 119          HG22      THR 119  38.901   0.342 -15.074
  985   HG23  THR 119          HG23      THR 119  37.885  -1.097 -15.015
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1 -31.348  -4.236   8.964
    2    H2   GLY   1           HT2      GLY   1 -30.532  -4.799  10.332
    3    H3   GLY   1           HT3      GLY   1 -30.498  -3.156   9.946
    4    HA2  GLY   1           HA1      GLY   1 -32.906  -4.691  10.745
    5    HA3  GLY   1           HA2      GLY   1 -32.019  -3.574  11.774
    6    HA   PRO   2           HA       PRO   2 -35.532  -1.398   9.413
    7    HB2  PRO   2           HB2      PRO   2 -36.102  -0.500  12.183
    8    HB3  PRO   2           HB1      PRO   2 -37.219  -1.025  10.918
    9    HG2  PRO   2           HG2      PRO   2 -36.675  -2.599  12.998
   10    HG3  PRO   2           HG1      PRO   2 -36.885  -3.273  11.372
   11    HD2  PRO   2           HD2      PRO   2 -34.365  -2.769  12.905
   12    HD3  PRO   2           HD1      PRO   2 -34.788  -4.132  11.849
   13    H    MET   3           HN       MET   3 -34.724   0.365   8.494
   14    HA   MET   3           HA       MET   3 -32.760   1.951   9.925
   15    HB2  MET   3           HB2      MET   3 -33.661   1.979   7.050
   16    HB3  MET   3           HB1      MET   3 -32.481   3.104   7.705
   17    HG2  MET   3           HG2      MET   3 -31.054   1.184   8.323
   18    HG3  MET   3           HG1      MET   3 -32.216   0.111   7.541
   19    HE1  MET   3           HE1      MET   3 -32.000   1.269   3.806
   20    HE2  MET   3           HE2      MET   3 -33.104   1.907   5.023
   21    HE3  MET   3           HE3      MET   3 -32.771   0.177   4.956
   22    H    ALA   4           HN       ALA   4 -34.655   2.616  11.359
   23    HA   ALA   4           HA       ALA   4 -36.346   4.707  10.344
   24    HB1  ALA   4           HB1      ALA   4 -35.681   3.975  13.197
   25    HB2  ALA   4           HB2      ALA   4 -37.024   3.325  12.258
   26    HB3  ALA   4           HB3      ALA   4 -36.987   5.038  12.674
   27    H    MET   5           HN       MET   5 -33.592   4.605  12.581
   28    HA   MET   5           HA       MET   5 -32.820   7.279  11.616
   29    HB2  MET   5           HB2      MET   5 -31.914   7.759  13.857
   30    HB3  MET   5           HB1      MET   5 -33.648   7.477  13.901
   31    HG2  MET   5           HG2      MET   5 -33.204   5.159  14.643
   32    HG3  MET   5           HG1      MET   5 -31.488   5.548  14.709
   33    HE1  MET   5           HE1      MET   5 -31.568   8.572  15.807
   34    HE2  MET   5           HE2      MET   5 -30.442   7.332  16.356
   35    HE3  MET   5           HE3      MET   5 -31.373   8.259  17.532
   36    H    LEU   6           HN       LEU   6 -32.115   4.122  11.638
   37    HA   LEU   6           HA       LEU   6 -29.286   4.149  12.080
   38    HB2  LEU   6           HB2      LEU   6 -30.684   2.124  12.369
   39    HB3  LEU   6           HB1      LEU   6 -31.023   2.126  10.652
   40    HG   LEU   6           HG       LEU   6 -28.610   1.762  10.206
   41   HD11  LEU   6          HD11      LEU   6 -28.457   1.482  13.203
   42   HD12  LEU   6          HD12      LEU   6 -27.679   2.727  12.222
   43   HD13  LEU   6          HD13      LEU   6 -27.180   1.041  12.069
   44   HD21  LEU   6          HD21      LEU   6 -29.928  -0.267  12.007
   45   HD22  LEU   6          HD22      LEU   6 -28.595  -0.584  10.898
   46   HD23  LEU   6          HD23      LEU   6 -30.172  -0.109  10.268
   47    H    ALA   7           HN       ALA   7 -27.985   5.240  10.760
   48    HA   ALA   7           HA       ALA   7 -28.750   5.722   8.005
   49    HB1  ALA   7           HB1      ALA   7 -26.906   7.292   7.967
   50    HB2  ALA   7           HB2      ALA   7 -26.380   6.737   9.556
   51    HB3  ALA   7           HB3      ALA   7 -27.925   7.567   9.379
   52    H    ARG   8           HN       ARG   8 -28.449   3.763   6.981
   53    HA   ARG   8           HA       ARG   8 -25.635   3.042   6.581
   54    HB2  ARG   8           HB2      ARG   8 -27.937   1.131   6.991
   55    HB3  ARG   8           HB1      ARG   8 -26.381   0.646   6.328
   56    HG2  ARG   8           HG2      ARG   8 -25.299   1.457   8.403
   57    HG3  ARG   8           HG1      ARG   8 -26.899   1.792   9.062
   58    HD2  ARG   8           HD2      ARG   8 -27.481  -0.581   8.807
   59    HD3  ARG   8           HD1      ARG   8 -25.860  -0.901   8.191
   60    HE   ARG   8           HE       ARG   8 -25.813   0.381  10.743
   61   HH11  ARG   8          HH11      ARG   8 -26.177  -2.710   9.150
   62   HH12  ARG   8          HH12      ARG   8 -25.683  -3.626  10.537
   63   HH21  ARG   8          HH21      ARG   8 -25.167  -0.815  12.570
   64   HH22  ARG   8          HH22      ARG   8 -25.089  -2.546  12.476
   65    H    ARG   9           HN       ARG   9 -26.933   4.809   5.003
   66    HA   ARG   9           HA       ARG   9 -27.530   3.311   2.556
   67    HB2  ARG   9           HB2      ARG   9 -27.904   6.225   3.260
   68    HB3  ARG   9           HB1      ARG   9 -28.134   5.587   1.637
   69    HG2  ARG   9           HG2      ARG   9 -29.884   4.092   2.488
   70    HG3  ARG   9           HG1      ARG   9 -29.673   4.785   4.094
   71    HD2  ARG   9           HD2      ARG   9 -30.450   6.342   1.635
   72    HD3  ARG   9           HD1      ARG   9 -31.583   5.749   2.847
   73    HE   ARG   9           HE       ARG   9 -29.671   7.263   4.183
   74   HH11  ARG   9          HH11      ARG   9 -32.147   7.737   1.764
   75   HH12  ARG   9          HH12      ARG   9 -32.458   9.381   2.213
   76   HH21  ARG   9          HH21      ARG   9 -30.091   9.432   4.799
   77   HH22  ARG   9          HH22      ARG   9 -31.296  10.344   3.949
   78    H    GLN  10           HN       GLN  10 -26.490   4.077   0.562
   79    HA   GLN  10           HA       GLN  10 -24.589   4.275  -0.665
   80    HB2  GLN  10           HB2      GLN  10 -24.971   6.666   0.256
   81    HB3  GLN  10           HB1      GLN  10 -23.629   6.312   1.334
   82    HG2  GLN  10           HG2      GLN  10 -22.820   7.521  -0.569
   83    HG3  GLN  10           HG1      GLN  10 -22.207   5.869  -0.633
   84   HE21  GLN  10          HE21      GLN  10 -22.876   4.503  -2.269
   85   HE22  GLN  10          HE22      GLN  10 -23.799   5.062  -3.627
   86    H    ARG  11           HN       ARG  11 -24.417   2.099   0.698
   87    HA   ARG  11           HA       ARG  11 -22.229   2.048   2.568
   88    HB2  ARG  11           HB2      ARG  11 -23.938  -0.138   1.380
   89    HB3  ARG  11           HB1      ARG  11 -22.621  -0.449   2.501
   90    HG2  ARG  11           HG2      ARG  11 -23.722   0.789   4.234
   91    HG3  ARG  11           HG1      ARG  11 -24.985   1.310   3.119
   92    HD2  ARG  11           HD2      ARG  11 -24.425  -1.546   3.904
   93    HD3  ARG  11           HD1      ARG  11 -25.706  -0.540   4.579
   94    HE   ARG  11           HE       ARG  11 -25.833  -0.697   1.726
   95   HH11  ARG  11          HH11      ARG  11 -26.624  -2.440   4.662
   96   HH12  ARG  11          HH12      ARG  11 -27.987  -3.251   3.958
   97   HH21  ARG  11          HH21      ARG  11 -27.594  -1.803   0.788
   98   HH22  ARG  11          HH22      ARG  11 -28.529  -2.898   1.753
   99    H    ASP  12           HN       ASP  12 -20.717   2.984   1.033
  100    HA   ASP  12           HA       ASP  12 -19.487   0.900  -0.647
  101    HB2  ASP  12           HB2      ASP  12 -19.759   3.862  -1.224
  102    HB3  ASP  12           HB1      ASP  12 -18.700   2.791  -2.132
  103    HA   PRO  13           HA       PRO  13 -16.553   2.675   2.644
  104    HB2  PRO  13           HB2      PRO  13 -16.024  -0.210   3.062
  105    HB3  PRO  13           HB1      PRO  13 -16.310   1.060   4.256
  106    HG2  PRO  13           HG2      PRO  13 -18.162  -0.790   3.753
  107    HG3  PRO  13           HG1      PRO  13 -18.615   0.896   4.071
  108    HD2  PRO  13           HD2      PRO  13 -18.436  -0.559   1.456
  109    HD3  PRO  13           HD1      PRO  13 -19.670   0.586   2.025
  110    H    LEU  14           HN       LEU  14 -16.389   0.163   0.229
  111    HA   LEU  14           HA       LEU  14 -13.628  -0.169  -0.014
  112    HB2  LEU  14           HB2      LEU  14 -15.587  -0.188  -2.311
  113    HB3  LEU  14           HB1      LEU  14 -14.028  -0.999  -2.240
  114    HG   LEU  14           HG       LEU  14 -16.464  -1.704  -0.594
  115   HD11  LEU  14          HD11      LEU  14 -16.648  -2.263  -2.972
  116   HD12  LEU  14          HD12      LEU  14 -16.540  -3.699  -1.956
  117   HD13  LEU  14          HD13      LEU  14 -15.133  -3.159  -2.867
  118   HD21  LEU  14          HD21      LEU  14 -13.746  -3.005  -0.744
  119   HD22  LEU  14          HD22      LEU  14 -15.153  -3.676   0.078
  120   HD23  LEU  14          HD23      LEU  14 -14.434  -2.170   0.650
  121    H    GLN  15           HN       GLN  15 -15.742   2.299  -1.413
  122    HA   GLN  15           HA       GLN  15 -13.810   3.368  -3.184
  123    HB2  GLN  15           HB2      GLN  15 -16.201   4.770  -1.972
  124    HB3  GLN  15           HB1      GLN  15 -15.337   5.251  -3.425
  125    HG2  GLN  15           HG2      GLN  15 -16.948   2.737  -3.053
  126    HG3  GLN  15           HG1      GLN  15 -17.419   4.155  -3.987
  127   HE21  GLN  15          HE21      GLN  15 -14.762   4.558  -5.102
  128   HE22  GLN  15          HE22      GLN  15 -14.537   3.310  -6.273
  129    H    ALA  16           HN       ALA  16 -14.924   4.399   0.027
  130    HA   ALA  16           HA       ALA  16 -13.175   6.569   0.339
  131    HB1  ALA  16           HB1      ALA  16 -15.134   6.209   1.752
  132    HB2  ALA  16           HB2      ALA  16 -13.671   6.388   2.720
  133    HB3  ALA  16           HB3      ALA  16 -14.367   4.789   2.459
  134    H    LEU  17           HN       LEU  17 -12.870   3.177   1.301
  135    HA   LEU  17           HA       LEU  17 -10.319   3.436   2.484
  136    HB2  LEU  17           HB2      LEU  17 -11.860   1.575   2.921
  137    HB3  LEU  17           HB1      LEU  17 -11.628   1.002   1.282
  138    HG   LEU  17           HG       LEU  17  -9.342   0.425   1.724
  139   HD11  LEU  17          HD11      LEU  17  -8.347   0.743   3.959
  140   HD12  LEU  17          HD12      LEU  17  -9.762   1.680   4.434
  141   HD13  LEU  17          HD13      LEU  17  -8.703   2.269   3.154
  142   HD21  LEU  17          HD21      LEU  17 -11.029  -1.196   2.394
  143   HD22  LEU  17          HD22      LEU  17 -11.115  -0.459   3.994
  144   HD23  LEU  17          HD23      LEU  17  -9.632  -1.257   3.469
  145    H    ARG  18           HN       ARG  18 -11.327   2.528  -0.800
  146    HA   ARG  18           HA       ARG  18  -8.778   2.051  -1.858
  147    HB2  ARG  18           HB2      ARG  18 -10.649   1.444  -3.191
  148    HB3  ARG  18           HB1      ARG  18 -11.321   3.066  -3.120
  149    HG2  ARG  18           HG2      ARG  18  -9.697   3.912  -4.609
  150    HG3  ARG  18           HG1      ARG  18  -8.711   2.456  -4.470
  151    HD2  ARG  18           HD2      ARG  18 -11.498   2.478  -5.605
  152    HD3  ARG  18           HD1      ARG  18 -10.043   2.651  -6.585
  153    HE   ARG  18           HE       ARG  18  -9.552   0.387  -5.191
  154   HH11  ARG  18          HH11      ARG  18 -12.310   1.419  -7.094
  155   HH12  ARG  18          HH12      ARG  18 -12.668  -0.181  -7.661
  156   HH21  ARG  18          HH21      ARG  18 -10.036  -1.696  -5.904
  157   HH22  ARG  18          HH22      ARG  18 -11.383  -1.960  -6.973
  158    H    ARG  19           HN       ARG  19 -10.603   5.048  -1.467
  159    HA   ARG  19           HA       ARG  19  -8.810   6.811  -2.681
  160    HB2  ARG  19           HB2      ARG  19 -11.110   7.366  -1.884
  161    HB3  ARG  19           HB1      ARG  19 -10.512   7.318  -0.233
  162    HG2  ARG  19           HG2      ARG  19  -8.981   9.165  -0.751
  163    HG3  ARG  19           HG1      ARG  19  -9.648   9.235  -2.384
  164    HD2  ARG  19           HD2      ARG  19 -10.697  10.916  -0.995
  165    HD3  ARG  19           HD1      ARG  19 -11.870   9.676  -1.428
  166    HE   ARG  19           HE       ARG  19 -10.493   9.548   1.164
  167   HH11  ARG  19          HH11      ARG  19 -13.455   9.850  -0.686
  168   HH12  ARG  19          HH12      ARG  19 -14.480   9.680   0.704
  169   HH21  ARG  19          HH21      ARG  19 -11.837   9.324   2.978
  170   HH22  ARG  19          HH22      ARG  19 -13.560   9.390   2.789
  171    H    ARG  20           HN       ARG  20  -8.977   5.631   0.662
  172    HA   ARG  20           HA       ARG  20  -6.701   6.920   1.661
  173    HB2  ARG  20           HB2      ARG  20  -7.882   4.239   2.410
  174    HB3  ARG  20           HB1      ARG  20  -6.631   5.060   3.325
  175    HG2  ARG  20           HG2      ARG  20  -8.162   6.918   3.753
  176    HG3  ARG  20           HG1      ARG  20  -9.420   6.080   2.840
  177    HD2  ARG  20           HD2      ARG  20  -9.390   4.244   4.432
  178    HD3  ARG  20           HD1      ARG  20  -8.062   4.996   5.313
  179    HE   ARG  20           HE       ARG  20 -10.451   6.624   5.110
  180   HH11  ARG  20          HH11      ARG  20  -8.768   4.175   6.971
  181   HH12  ARG  20          HH12      ARG  20  -9.559   4.578   8.460
  182   HH21  ARG  20          HH21      ARG  20 -11.494   7.151   7.069
  183   HH22  ARG  20          HH22      ARG  20 -11.118   6.264   8.514
  184    H    ASN  21           HN       ASN  21  -7.050   3.778   0.036
  185    HA   ASN  21           HA       ASN  21  -4.335   3.034   0.210
  186    HB2  ASN  21           HB2      ASN  21  -6.468   2.213  -1.769
  187    HB3  ASN  21           HB1      ASN  21  -4.858   1.505  -1.726
  188   HD21  ASN  21          HD21      ASN  21  -7.381   0.198  -1.353
  189   HD22  ASN  21          HD22      ASN  21  -7.348  -0.491   0.236
  190    H    GLN  22           HN       GLN  22  -6.081   4.981  -2.156
  191    HA   GLN  22           HA       GLN  22  -4.002   5.183  -4.051
  192    HB2  GLN  22           HB2      GLN  22  -6.249   7.085  -3.385
  193    HB3  GLN  22           HB1      GLN  22  -5.164   7.296  -4.751
  194    HG2  GLN  22           HG2      GLN  22  -5.910   5.133  -5.648
  195    HG3  GLN  22           HG1      GLN  22  -7.038   4.986  -4.299
  196   HE21  GLN  22          HE21      GLN  22  -7.597   5.090  -7.156
  197   HE22  GLN  22          HE22      GLN  22  -8.632   6.454  -7.400
  198    H    GLU  23           HN       GLU  23  -4.645   6.800  -1.053
  199    HA   GLU  23           HA       GLU  23  -2.792   8.932  -1.339
  200    HB2  GLU  23           HB2      GLU  23  -4.650   8.892   0.313
  201    HB3  GLU  23           HB1      GLU  23  -3.827   7.603   1.176
  202    HG2  GLU  23           HG2      GLU  23  -1.971   9.104   1.657
  203    HG3  GLU  23           HG1      GLU  23  -2.784  10.396   0.772
  204    H    LEU  24           HN       LEU  24  -2.662   5.731   0.188
  205    HA   LEU  24           HA       LEU  24   0.075   5.818   0.881
  206    HB2  LEU  24           HB2      LEU  24  -1.756   3.486   0.340
  207    HB3  LEU  24           HB1      LEU  24  -0.100   3.299   0.878
  208    HG   LEU  24           HG       LEU  24  -2.295   4.682   2.430
  209   HD11  LEU  24          HD11      LEU  24  -0.897   2.069   2.979
  210   HD12  LEU  24          HD12      LEU  24  -2.487   2.204   2.231
  211   HD13  LEU  24          HD13      LEU  24  -2.238   2.777   3.879
  212   HD21  LEU  24          HD21      LEU  24  -0.639   4.665   4.261
  213   HD22  LEU  24          HD22      LEU  24  -0.144   5.679   2.907
  214   HD23  LEU  24          HD23      LEU  24   0.579   4.085   3.125
  215    H    LYS  25           HN       LYS  25  -1.616   4.822  -2.047
  216    HA   LYS  25           HA       LYS  25   0.510   3.631  -3.397
  217    HB2  LYS  25           HB2      LYS  25  -1.892   3.686  -4.149
  218    HB3  LYS  25           HB1      LYS  25  -1.633   5.343  -4.671
  219    HG2  LYS  25           HG2      LYS  25   0.233   4.453  -6.130
  220    HG3  LYS  25           HG1      LYS  25  -0.381   2.842  -5.759
  221    HD2  LYS  25           HD2      LYS  25  -1.967   5.072  -7.024
  222    HD3  LYS  25           HD1      LYS  25  -1.256   3.711  -7.887
  223    HE2  LYS  25           HE2      LYS  25  -2.663   2.168  -6.615
  224    HE3  LYS  25           HE1      LYS  25  -3.362   3.526  -5.734
  225    HZ1  LYS  25           HZ1      LYS  25  -4.240   4.378  -7.822
  226    HZ2  LYS  25           HZ2      LYS  25  -4.804   2.811  -7.535
  227    HZ3  LYS  25           HZ3      LYS  25  -3.574   3.071  -8.664
  228    H    GLN  26           HN       GLN  26  -0.421   7.037  -3.146
  229    HA   GLN  26           HA       GLN  26   1.618   8.008  -4.865
  230    HB2  GLN  26           HB2      GLN  26  -0.379   9.334  -4.354
  231    HB3  GLN  26           HB1      GLN  26   0.106   9.431  -2.668
  232    HG2  GLN  26           HG2      GLN  26   0.596  11.486  -3.910
  233    HG3  GLN  26           HG1      GLN  26   2.047  10.735  -3.249
  234   HE21  GLN  26          HE21      GLN  26   3.391  11.759  -4.719
  235   HE22  GLN  26          HE22      GLN  26   3.448  11.319  -6.390
  236    H    GLN  27           HN       GLN  27   1.462   7.263  -1.448
  237    HA   GLN  27           HA       GLN  27   3.906   8.539  -0.725
  238    HB2  GLN  27           HB2      GLN  27   2.442   6.247   0.605
  239    HB3  GLN  27           HB1      GLN  27   3.768   7.153   1.320
  240    HG2  GLN  27           HG2      GLN  27   2.400   9.187   1.262
  241    HG3  GLN  27           HG1      GLN  27   1.075   8.266   0.556
  242   HE21  GLN  27          HE21      GLN  27   3.218   7.110   3.089
  243   HE22  GLN  27          HE22      GLN  27   2.015   7.030   4.324
  244    H    VAL  28           HN       VAL  28   2.998   5.386  -1.957
  245    HA   VAL  28           HA       VAL  28   5.522   4.126  -1.632
  246    HB   VAL  28           HB       VAL  28   3.258   3.529  -3.552
  247   HG11  VAL  28          HG11      VAL  28   4.304   1.330  -3.836
  248   HG12  VAL  28          HG12      VAL  28   5.671   1.863  -2.861
  249   HG13  VAL  28          HG13      VAL  28   5.345   2.633  -4.412
  250   HG21  VAL  28          HG21      VAL  28   2.608   3.263  -1.226
  251   HG22  VAL  28          HG22      VAL  28   4.027   2.265  -0.925
  252   HG23  VAL  28          HG23      VAL  28   2.757   1.684  -2.000
  253    H    ASP  29           HN       ASP  29   3.914   5.693  -4.398
  254    HA   ASP  29           HA       ASP  29   6.026   5.485  -6.220
  255    HB2  ASP  29           HB2      ASP  29   3.751   7.441  -5.985
  256    HB3  ASP  29           HB1      ASP  29   4.966   7.606  -7.248
  257    H    SER  30           HN       SER  30   5.383   7.839  -3.700
  258    HA   SER  30           HA       SER  30   7.410   9.671  -4.385
  259    HB2  SER  30           HB2      SER  30   5.632  10.289  -2.834
  260    HB3  SER  30           HB1      SER  30   6.159   9.054  -1.693
  261    HG   SER  30           HG       SER  30   6.887  11.470  -1.596
  262    H    LEU  31           HN       LEU  31   7.394   6.855  -2.232
  263    HA   LEU  31           HA       LEU  31  10.034   7.168  -1.295
  264    HB2  LEU  31           HB2      LEU  31   8.349   5.723  -0.207
  265    HB3  LEU  31           HB1      LEU  31   8.431   4.624  -1.570
  266    HG   LEU  31           HG       LEU  31  10.825   4.210  -1.051
  267   HD11  LEU  31          HD11      LEU  31  11.437   6.213   0.080
  268   HD12  LEU  31          HD12      LEU  31  11.609   4.878   1.222
  269   HD13  LEU  31          HD13      LEU  31  10.215   5.952   1.325
  270   HD21  LEU  31          HD21      LEU  31  10.431   2.794   0.871
  271   HD22  LEU  31          HD22      LEU  31   9.061   2.712  -0.235
  272   HD23  LEU  31          HD23      LEU  31   8.948   3.670   1.241
  273    H    LEU  32           HN       LEU  32   8.685   5.140  -3.883
  274    HA   LEU  32           HA       LEU  32  11.071   4.044  -4.798
  275    HB2  LEU  32           HB2      LEU  32   8.561   4.721  -6.329
  276    HB3  LEU  32           HB1      LEU  32   9.836   3.666  -6.910
  277    HG   LEU  32           HG       LEU  32   8.186   3.135  -4.442
  278   HD11  LEU  32          HD11      LEU  32   7.941   1.994  -7.218
  279   HD12  LEU  32          HD12      LEU  32   6.789   3.068  -6.425
  280   HD13  LEU  32          HD13      LEU  32   7.055   1.441  -5.799
  281   HD21  LEU  32          HD21      LEU  32  10.372   2.091  -4.369
  282   HD22  LEU  32          HD22      LEU  32  10.125   1.412  -5.977
  283   HD23  LEU  32          HD23      LEU  32   9.122   0.876  -4.629
  284    H    SER  33           HN       SER  33   9.550   7.130  -5.474
  285    HA   SER  33           HA       SER  33  11.141   7.902  -7.662
  286    HB2  SER  33           HB2      SER  33   9.046   9.063  -7.006
  287    HB3  SER  33           HB1      SER  33   9.852   9.671  -5.563
  288    HG   SER  33           HG       SER  33  11.160  10.930  -6.820
  289    H    GLU  34           HN       GLU  34  11.579   8.232  -4.162
  290    HA   GLU  34           HA       GLU  34  13.981   9.791  -4.448
  291    HB2  GLU  34           HB2      GLU  34  12.785   8.423  -2.035
  292    HB3  GLU  34           HB1      GLU  34  14.192   9.474  -1.998
  293    HG2  GLU  34           HG2      GLU  34  12.816  11.325  -2.838
  294    HG3  GLU  34           HG1      GLU  34  11.405  10.272  -2.804
  295    H    SER  35           HN       SER  35  13.090   6.465  -4.057
  296    HA   SER  35           HA       SER  35  15.690   5.468  -3.455
  297    HB2  SER  35           HB2      SER  35  13.291   3.994  -4.571
  298    HB3  SER  35           HB1      SER  35  14.698   3.264  -3.798
  299    HG   SER  35           HG       SER  35  12.796   5.003  -2.594
  300    H    GLN  36           HN       GLN  36  14.446   6.767  -6.253
  301    HA   GLN  36           HA       GLN  36  15.843   4.909  -8.041
  302    HB2  GLN  36           HB2      GLN  36  13.429   5.399  -8.472
  303    HB3  GLN  36           HB1      GLN  36  13.846   7.090  -8.693
  304    HG2  GLN  36           HG2      GLN  36  15.204   6.523 -10.621
  305    HG3  GLN  36           HG1      GLN  36  14.848   4.813 -10.387
  306   HE21  GLN  36          HE21      GLN  36  12.510   7.354  -9.894
  307   HE22  GLN  36          HE22      GLN  36  11.497   6.947 -11.234
  308    H    LEU  37           HN       LEU  37  16.155   7.809  -6.449
  309    HA   LEU  37           HA       LEU  37  17.414   9.444  -8.381
  310    HB2  LEU  37           HB2      LEU  37  17.684   9.443  -5.373
  311    HB3  LEU  37           HB1      LEU  37  18.208  10.733  -6.432
  312    HG   LEU  37           HG       LEU  37  15.346   9.857  -6.064
  313   HD11  LEU  37          HD11      LEU  37  15.079  11.968  -4.858
  314   HD12  LEU  37          HD12      LEU  37  16.813  12.263  -4.996
  315   HD13  LEU  37          HD13      LEU  37  16.223  10.896  -4.051
  316   HD21  LEU  37          HD21      LEU  37  15.682  10.786  -8.257
  317   HD22  LEU  37          HD22      LEU  37  16.562  12.155  -7.581
  318   HD23  LEU  37          HD23      LEU  37  14.840  11.963  -7.251
  319    H    LYS  38           HN       LYS  38  19.494   9.564  -9.022
  320    HA   LYS  38           HA       LYS  38  21.284   7.441  -8.535
  321    HB2  LYS  38           HB2      LYS  38  22.970   8.859  -9.694
  322    HB3  LYS  38           HB1      LYS  38  21.462   8.712 -10.585
  323    HG2  LYS  38           HG2      LYS  38  20.788  10.916  -9.922
  324    HG3  LYS  38           HG1      LYS  38  22.178  11.066  -8.847
  325    HD2  LYS  38           HD2      LYS  38  22.564  12.293 -10.908
  326    HD3  LYS  38           HD1      LYS  38  23.676  10.929 -10.790
  327    HE2  LYS  38           HE2      LYS  38  22.794  11.133 -13.047
  328    HE3  LYS  38           HE1      LYS  38  22.249   9.637 -12.298
  329    HZ1  LYS  38           HZ1      LYS  38  20.643  12.124 -12.545
  330    HZ2  LYS  38           HZ2      LYS  38  20.119  10.678 -11.843
  331    HZ3  LYS  38           HZ3      LYS  38  20.466  10.737 -13.494
  332    H    GLU  39           HN       GLU  39  20.757  10.503  -7.008
  333    HA   GLU  39           HA       GLU  39  23.134  10.539  -5.431
  334    HB2  GLU  39           HB2      GLU  39  20.487  11.959  -5.118
  335    HB3  GLU  39           HB1      GLU  39  21.889  12.258  -4.102
  336    HG2  GLU  39           HG2      GLU  39  21.769  12.661  -7.081
  337    HG3  GLU  39           HG1      GLU  39  21.655  13.931  -5.862
  338    H    ALA  40           HN       ALA  40  20.237   8.771  -5.257
  339    HA   ALA  40           HA       ALA  40  20.279   8.455  -2.386
  340    HB1  ALA  40           HB1      ALA  40  18.324   7.022  -2.729
  341    HB2  ALA  40           HB2      ALA  40  18.526   7.193  -4.473
  342    HB3  ALA  40           HB3      ALA  40  18.136   8.601  -3.487
  343    H    LEU  41           HN       LEU  41  22.036   7.184  -4.823
  344    HA   LEU  41           HA       LEU  41  22.121   4.435  -4.060
  345    HB2  LEU  41           HB2      LEU  41  22.819   5.244  -6.290
  346    HB3  LEU  41           HB1      LEU  41  24.168   6.087  -5.551
  347    HG   LEU  41           HG       LEU  41  25.053   3.884  -4.784
  348   HD11  LEU  41          HD11      LEU  41  23.006   2.610  -4.763
  349   HD12  LEU  41          HD12      LEU  41  24.166   1.861  -5.857
  350   HD13  LEU  41          HD13      LEU  41  22.829   2.809  -6.505
  351   HD21  LEU  41          HD21      LEU  41  24.633   4.166  -7.755
  352   HD22  LEU  41          HD22      LEU  41  25.880   3.197  -6.974
  353   HD23  LEU  41          HD23      LEU  41  25.896   4.953  -6.810
  354    H    GLU  42           HN       GLU  42  23.156   7.213  -2.565
  355    HA   GLU  42           HA       GLU  42  25.593   6.279  -1.415
  356    HB2  GLU  42           HB2      GLU  42  23.785   8.520  -0.486
  357    HB3  GLU  42           HB1      GLU  42  25.443   8.249   0.026
  358    HG2  GLU  42           HG2      GLU  42  24.502   9.012  -2.728
  359    HG3  GLU  42           HG1      GLU  42  25.398  10.015  -1.587
  360    HA   PRO  43           HA       PRO  43  24.084   3.260   1.330
  361    HB2  PRO  43           HB2      PRO  43  26.080   4.398   3.244
  362    HB3  PRO  43           HB1      PRO  43  25.804   2.718   2.774
  363    HG2  PRO  43           HG2      PRO  43  27.844   4.103   1.766
  364    HG3  PRO  43           HG1      PRO  43  26.940   2.946   0.773
  365    HD2  PRO  43           HD2      PRO  43  26.910   5.918   0.722
  366    HD3  PRO  43           HD1      PRO  43  26.610   4.759  -0.588
  367    H    ASN  44           HN       ASN  44  24.649   6.433   2.869
  368    HA   ASN  44           HA       ASN  44  23.098   5.940   5.155
  369    HB2  ASN  44           HB2      ASN  44  23.938   8.498   3.806
  370    HB3  ASN  44           HB1      ASN  44  22.896   8.512   5.227
  371   HD21  ASN  44          HD21      ASN  44  25.595   9.564   4.943
  372   HD22  ASN  44          HD22      ASN  44  26.558   8.738   6.117
  373    H    LYS  45           HN       LYS  45  22.180   7.398   2.037
  374    HA   LYS  45           HA       LYS  45  19.537   8.002   2.753
  375    HB2  LYS  45           HB2      LYS  45  20.657   8.945   0.779
  376    HB3  LYS  45           HB1      LYS  45  20.701   7.353   0.037
  377    HG2  LYS  45           HG2      LYS  45  18.917   8.583  -0.958
  378    HG3  LYS  45           HG1      LYS  45  18.206   7.341   0.070
  379    HD2  LYS  45           HD2      LYS  45  17.016   9.431   0.343
  380    HD3  LYS  45           HD1      LYS  45  17.867   9.026   1.834
  381    HE2  LYS  45           HE2      LYS  45  19.594  10.618   1.351
  382    HE3  LYS  45           HE1      LYS  45  18.942  10.911  -0.260
  383    HZ1  LYS  45           HZ1      LYS  45  16.995  11.896   0.710
  384    HZ2  LYS  45           HZ2      LYS  45  18.367  12.659   1.344
  385    HZ3  LYS  45           HZ3      LYS  45  17.525  11.529   2.272
  386    H    ARG  46           HN       ARG  46  20.991   5.126   1.282
  387    HA   ARG  46           HA       ARG  46  18.652   3.704   0.729
  388    HB2  ARG  46           HB2      ARG  46  21.419   2.760   1.465
  389    HB3  ARG  46           HB1      ARG  46  20.127   1.649   1.041
  390    HG2  ARG  46           HG2      ARG  46  21.264   3.802  -0.728
  391    HG3  ARG  46           HG1      ARG  46  21.583   2.072  -0.849
  392    HD2  ARG  46           HD2      ARG  46  18.997   1.879  -1.053
  393    HD3  ARG  46           HD1      ARG  46  19.084   3.587  -1.482
  394    HE   ARG  46           HE       ARG  46  20.672   1.586  -2.944
  395   HH11  ARG  46          HH11      ARG  46  18.273   4.140  -2.937
  396   HH12  ARG  46          HH12      ARG  46  18.138   4.187  -4.666
  397   HH21  ARG  46          HH21      ARG  46  20.481   1.636  -5.203
  398   HH22  ARG  46          HH22      ARG  46  19.406   2.775  -5.954
  399    H    GLN  47           HN       GLN  47  20.595   3.829   3.676
  400    HA   GLN  47           HA       GLN  47  19.165   1.942   5.176
  401    HB2  GLN  47           HB2      GLN  47  20.744   4.362   6.057
  402    HB3  GLN  47           HB1      GLN  47  20.162   3.111   7.146
  403    HG2  GLN  47           HG2      GLN  47  21.577   1.484   6.192
  404    HG3  GLN  47           HG1      GLN  47  21.956   2.515   4.814
  405   HE21  GLN  47          HE21      GLN  47  24.153   2.343   5.180
  406   HE22  GLN  47          HE22      GLN  47  24.940   3.162   6.488
  407    H    HIS  48           HN       HIS  48  18.701   5.399   4.697
  408    HA   HIS  48           HA       HIS  48  16.653   5.696   6.653
  409    HB2  HIS  48           HB2      HIS  48  18.103   7.548   5.622
  410    HB3  HIS  48           HB1      HIS  48  17.044   7.455   4.219
  411    HD1  HIS  48           HD1      HIS  48  17.210   8.714   7.710
  412    HD2  HIS  48           HD2      HIS  48  14.421   8.464   4.638
  413    HE1  HIS  48           HE1      HIS  48  15.336  10.245   8.376
  414    HE2  HIS  48           HE2      HIS  48  13.600   9.965   6.580
  415    H    ILE  49           HN       ILE  49  16.704   4.903   3.238
  416    HA   ILE  49           HA       ILE  49  13.929   5.127   2.742
  417    HB   ILE  49           HB       ILE  49  16.062   3.484   1.371
  418   HG12  ILE  49          HG12      ILE  49  14.703   6.070   0.575
  419   HG13  ILE  49          HG11      ILE  49  16.307   5.953   1.290
  420   HG21  ILE  49          HG21      ILE  49  14.501   3.210  -0.483
  421   HG22  ILE  49          HG22      ILE  49  13.245   4.033   0.441
  422   HG23  ILE  49          HG23      ILE  49  13.865   2.477   0.990
  423   HD11  ILE  49          HD11      ILE  49  16.394   6.269  -1.126
  424   HD12  ILE  49          HD12      ILE  49  15.484   4.775  -1.351
  425   HD13  ILE  49          HD13      ILE  49  17.097   4.724  -0.644
  426    H    TYR  50           HN       TYR  50  15.967   2.377   3.713
  427    HA   TYR  50           HA       TYR  50  14.117   0.343   3.692
  428    HB2  TYR  50           HB2      TYR  50  16.503   0.019   4.158
  429    HB3  TYR  50           HB1      TYR  50  16.324   0.828   5.710
  430    HD1  TYR  50           HD1      TYR  50  16.080  -0.478   7.600
  431    HD2  TYR  50           HD2      TYR  50  14.932  -2.108   3.838
  432    HE1  TYR  50           HE1      TYR  50  15.634  -2.641   8.678
  433    HE2  TYR  50           HE2      TYR  50  14.481  -4.274   4.910
  434    HH   TYR  50           HH       TYR  50  14.247  -4.662   8.251
  435    H    GLN  51           HN       GLN  51  14.632   2.771   6.212
  436    HA   GLN  51           HA       GLN  51  12.838   1.640   8.102
  437    HB2  GLN  51           HB2      GLN  51  14.633   3.326   8.615
  438    HB3  GLN  51           HB1      GLN  51  13.646   4.543   7.822
  439    HG2  GLN  51           HG2      GLN  51  13.410   4.682  10.222
  440    HG3  GLN  51           HG1      GLN  51  11.887   4.201   9.480
  441   HE21  GLN  51          HE21      GLN  51  11.203   3.378  11.490
  442   HE22  GLN  51          HE22      GLN  51  11.782   1.856  12.081
  443    H    ARG  52           HN       ARG  52  12.481   4.108   5.595
  444    HA   ARG  52           HA       ARG  52   9.790   4.767   6.168
  445    HB2  ARG  52           HB2      ARG  52  11.484   5.077   3.700
  446    HB3  ARG  52           HB1      ARG  52   9.803   5.590   3.744
  447    HG2  ARG  52           HG2      ARG  52  10.332   7.104   5.601
  448    HG3  ARG  52           HG1      ARG  52  12.023   6.608   5.505
  449    HD2  ARG  52           HD2      ARG  52  12.257   7.526   3.328
  450    HD3  ARG  52           HD1      ARG  52  10.519   7.776   3.174
  451    HE   ARG  52           HE       ARG  52  11.337   9.253   5.373
  452   HH11  ARG  52          HH11      ARG  52  11.967   9.182   1.935
  453   HH12  ARG  52          HH12      ARG  52  12.260  10.884   1.820
  454   HH21  ARG  52          HH21      ARG  52  11.718  11.506   5.229
  455   HH22  ARG  52          HH22      ARG  52  12.132  12.204   3.694
  456    H    CYS  53           HN       CYS  53  11.269   2.241   4.310
  457    HA   CYS  53           HA       CYS  53   8.964   1.524   2.794
  458    HB2  CYS  53           HB2      CYS  53  11.242   0.839   2.111
  459    HB3  CYS  53           HB1      CYS  53  11.349  -0.198   3.538
  460    HG   CYS  53           HG       CYS  53  10.789  -1.467   0.908
  461    H    ILE  54           HN       ILE  54  10.371   0.370   5.820
  462    HA   ILE  54           HA       ILE  54   8.516  -1.613   6.438
  463    HB   ILE  54           HB       ILE  54  10.086   0.218   8.249
  464   HG12  ILE  54          HG12      ILE  54  10.496  -2.667   7.414
  465   HG13  ILE  54          HG11      ILE  54  11.442  -1.286   6.858
  466   HG21  ILE  54          HG21      ILE  54   8.511  -2.241   8.993
  467   HG22  ILE  54          HG22      ILE  54   8.148  -0.581   9.465
  468   HG23  ILE  54          HG23      ILE  54   9.610  -1.368  10.060
  469   HD11  ILE  54          HD11      ILE  54  11.308  -2.310   9.686
  470   HD12  ILE  54          HD12      ILE  54  12.263  -0.936   9.128
  471   HD13  ILE  54          HD13      ILE  54  12.631  -2.560   8.548
  472    H    GLN  55           HN       GLN  55   8.396   1.871   6.959
  473    HA   GLN  55           HA       GLN  55   6.097   1.892   8.596
  474    HB2  GLN  55           HB2      GLN  55   7.069   4.077   6.749
  475    HB3  GLN  55           HB1      GLN  55   5.986   4.274   8.119
  476    HG2  GLN  55           HG2      GLN  55   8.873   3.438   8.227
  477    HG3  GLN  55           HG1      GLN  55   8.213   5.007   8.686
  478   HE21  GLN  55          HE21      GLN  55   9.712   2.975  10.209
  479   HE22  GLN  55          HE22      GLN  55   8.741   2.645  11.603
  480    H    LEU  56           HN       LEU  56   6.428   2.605   5.105
  481    HA   LEU  56           HA       LEU  56   3.729   2.823   4.545
  482    HB2  LEU  56           HB2      LEU  56   5.843   1.724   2.693
  483    HB3  LEU  56           HB1      LEU  56   4.306   2.409   2.213
  484    HG   LEU  56           HG       LEU  56   6.614   3.889   3.477
  485   HD11  LEU  56          HD11      LEU  56   6.940   3.291   1.134
  486   HD12  LEU  56          HD12      LEU  56   6.731   5.031   1.336
  487   HD13  LEU  56          HD13      LEU  56   5.400   4.048   0.725
  488   HD21  LEU  56          HD21      LEU  56   5.265   5.909   3.098
  489   HD22  LEU  56          HD22      LEU  56   4.527   4.825   4.274
  490   HD23  LEU  56          HD23      LEU  56   3.902   4.897   2.627
  491    H    LYS  57           HN       LYS  57   5.738  -0.073   4.665
  492    HA   LYS  57           HA       LYS  57   3.857  -1.847   3.559
  493    HB2  LYS  57           HB2      LYS  57   6.219  -2.437   3.832
  494    HB3  LYS  57           HB1      LYS  57   6.042  -2.388   5.581
  495    HG2  LYS  57           HG2      LYS  57   4.556  -4.279   5.534
  496    HG3  LYS  57           HG1      LYS  57   4.562  -4.282   3.771
  497    HD2  LYS  57           HD2      LYS  57   6.938  -4.805   3.761
  498    HD3  LYS  57           HD1      LYS  57   6.973  -4.743   5.524
  499    HE2  LYS  57           HE2      LYS  57   5.289  -6.654   3.915
  500    HE3  LYS  57           HE1      LYS  57   6.864  -7.046   4.599
  501    HZ1  LYS  57           HZ1      LYS  57   5.963  -6.581   6.804
  502    HZ2  LYS  57           HZ2      LYS  57   5.096  -7.810   6.031
  503    HZ3  LYS  57           HZ3      LYS  57   4.447  -6.255   6.131
  504    H    GLN  58           HN       GLN  58   4.471  -0.823   6.880
  505    HA   GLN  58           HA       GLN  58   2.512  -2.422   8.116
  506    HB2  GLN  58           HB2      GLN  58   4.316  -1.186   9.319
  507    HB3  GLN  58           HB1      GLN  58   3.463   0.316   8.985
  508    HG2  GLN  58           HG2      GLN  58   1.511  -0.603  10.228
  509    HG3  GLN  58           HG1      GLN  58   2.512  -1.981  10.675
  510   HE21  GLN  58          HE21      GLN  58   1.239  -0.028  12.377
  511   HE22  GLN  58          HE22      GLN  58   2.499   0.715  13.298
  512    H    ALA  59           HN       ALA  59   2.373   0.757   6.603
  513    HA   ALA  59           HA       ALA  59  -0.240   1.435   7.405
  514    HB1  ALA  59           HB1      ALA  59   1.284   2.362   4.975
  515    HB2  ALA  59           HB2      ALA  59   1.400   3.063   6.589
  516    HB3  ALA  59           HB3      ALA  59  -0.119   3.152   5.696
  517    H    ILE  60           HN       ILE  60   0.998  -0.098   4.442
  518    HA   ILE  60           HA       ILE  60  -1.508  -0.277   3.146
  519    HB   ILE  60           HB       ILE  60   0.910  -2.067   2.790
  520   HG12  ILE  60          HG12      ILE  60   0.065   0.392   1.235
  521   HG13  ILE  60          HG11      ILE  60   1.355   0.359   2.434
  522   HG21  ILE  60          HG21      ILE  60  -1.435  -1.566   0.957
  523   HG22  ILE  60          HG22      ILE  60  -1.158  -3.035   1.893
  524   HG23  ILE  60          HG23      ILE  60  -0.040  -2.586   0.606
  525   HD11  ILE  60          HD11      ILE  60   2.259   0.262   0.192
  526   HD12  ILE  60          HD12      ILE  60   1.298  -1.173  -0.157
  527   HD13  ILE  60          HD13      ILE  60   2.582  -1.246   1.048
  528    H    ASP  61           HN       ASP  61   0.279  -2.486   5.235
  529    HA   ASP  61           HA       ASP  61  -1.477  -4.671   5.179
  530    HB2  ASP  61           HB2      ASP  61   0.783  -4.784   6.164
  531    HB3  ASP  61           HB1      ASP  61   0.282  -3.692   7.452
  532    H    GLU  62           HN       GLU  62  -1.463  -1.738   7.074
  533    HA   GLU  62           HA       GLU  62  -3.498  -2.346   8.896
  534    HB2  GLU  62           HB2      GLU  62  -2.033  -0.423   9.168
  535    HB3  GLU  62           HB1      GLU  62  -2.684   0.314   7.713
  536    HG2  GLU  62           HG2      GLU  62  -3.613   1.386   9.647
  537    HG3  GLU  62           HG1      GLU  62  -4.875   0.485   8.812
  538    H    ASN  63           HN       ASN  63  -3.679  -0.769   5.699
  539    HA   ASN  63           HA       ASN  63  -6.520  -0.524   5.819
  540    HB2  ASN  63           HB2      ASN  63  -4.568  -0.238   3.545
  541    HB3  ASN  63           HB1      ASN  63  -6.308  -0.069   3.326
  542   HD21  ASN  63          HD21      ASN  63  -4.482   1.976   2.809
  543   HD22  ASN  63          HD22      ASN  63  -4.735   3.256   3.946
  544    H    LYS  64           HN       LYS  64  -4.305  -2.917   4.464
  545    HA   LYS  64           HA       LYS  64  -6.129  -4.565   3.155
  546    HB2  LYS  64           HB2      LYS  64  -3.738  -4.976   3.058
  547    HB3  LYS  64           HB1      LYS  64  -3.683  -5.286   4.785
  548    HG2  LYS  64           HG2      LYS  64  -5.132  -7.270   4.419
  549    HG3  LYS  64           HG1      LYS  64  -5.003  -6.986   2.682
  550    HD2  LYS  64           HD2      LYS  64  -2.573  -7.217   2.827
  551    HD3  LYS  64           HD1      LYS  64  -2.695  -7.489   4.561
  552    HE2  LYS  64           HE2      LYS  64  -2.427  -9.604   3.432
  553    HE3  LYS  64           HE1      LYS  64  -4.050  -9.508   4.111
  554    HZ1  LYS  64           HZ1      LYS  64  -4.899  -8.931   1.934
  555    HZ2  LYS  64           HZ2      LYS  64  -4.061 -10.399   1.864
  556    HZ3  LYS  64           HZ3      LYS  64  -3.342  -8.986   1.277
  557    H    ASN  65           HN       ASN  65  -5.205  -4.487   6.573
  558    HA   ASN  65           HA       ASN  65  -6.875  -6.589   7.434
  559    HB2  ASN  65           HB2      ASN  65  -5.669  -4.235   8.889
  560    HB3  ASN  65           HB1      ASN  65  -6.608  -5.478   9.708
  561   HD21  ASN  65          HD21      ASN  65  -3.798  -4.709   9.990
  562   HD22  ASN  65          HD22      ASN  65  -2.883  -6.142   9.681
  563    H    ALA  66           HN       ALA  66  -7.404  -3.131   7.091
  564    HA   ALA  66           HA       ALA  66  -9.953  -3.053   8.318
  565    HB1  ALA  66           HB1      ALA  66  -8.797  -1.233   6.203
  566    HB2  ALA  66           HB2      ALA  66  -8.622  -1.032   7.946
  567    HB3  ALA  66           HB3      ALA  66 -10.212  -0.890   7.197
  568    H    LEU  67           HN       LEU  67  -8.883  -3.383   4.970
  569    HA   LEU  67           HA       LEU  67 -11.395  -3.464   3.747
  570    HB2  LEU  67           HB2      LEU  67  -9.263  -3.130   2.569
  571    HB3  LEU  67           HB1      LEU  67  -8.814  -4.787   2.908
  572    HG   LEU  67           HG       LEU  67 -10.682  -5.570   1.506
  573   HD11  LEU  67          HD11      LEU  67 -11.084  -2.636   0.955
  574   HD12  LEU  67          HD12      LEU  67 -12.219  -3.725   1.753
  575   HD13  LEU  67          HD13      LEU  67 -11.831  -3.949   0.049
  576   HD21  LEU  67          HD21      LEU  67  -8.811  -3.619   0.175
  577   HD22  LEU  67          HD22      LEU  67  -9.720  -4.886  -0.646
  578   HD23  LEU  67          HD23      LEU  67  -8.477  -5.314   0.529
  579    H    GLN  68           HN       GLN  68  -9.339  -6.075   4.982
  580    HA   GLN  68           HA       GLN  68 -10.988  -8.208   4.256
  581    HB2  GLN  68           HB2      GLN  68  -8.600  -8.317   5.075
  582    HB3  GLN  68           HB1      GLN  68  -9.228  -8.110   6.705
  583    HG2  GLN  68           HG2      GLN  68  -8.834 -10.437   6.308
  584    HG3  GLN  68           HG1      GLN  68 -10.572 -10.157   6.404
  585   HE21  GLN  68          HE21      GLN  68 -11.064 -12.006   5.246
  586   HE22  GLN  68          HE22      GLN  68 -10.784 -12.136   3.544
  587    H    LYS  69           HN       LYS  69 -11.169  -6.008   6.981
  588    HA   LYS  69           HA       LYS  69 -13.063  -7.650   8.410
  589    HB2  LYS  69           HB2      LYS  69 -11.443  -6.083   9.537
  590    HB3  LYS  69           HB1      LYS  69 -12.391  -4.744   8.905
  591    HG2  LYS  69           HG2      LYS  69 -13.039  -5.122  11.169
  592    HG3  LYS  69           HG1      LYS  69 -14.365  -5.637  10.126
  593    HD2  LYS  69           HD2      LYS  69 -13.581  -7.973  10.342
  594    HD3  LYS  69           HD1      LYS  69 -12.322  -7.427  11.450
  595    HE2  LYS  69           HE2      LYS  69 -14.119  -8.273  12.768
  596    HE3  LYS  69           HE1      LYS  69 -14.131  -6.517  12.923
  597    HZ1  LYS  69           HZ1      LYS  69 -15.891  -6.469  11.215
  598    HZ2  LYS  69           HZ2      LYS  69 -16.356  -7.298  12.610
  599    HZ3  LYS  69           HZ3      LYS  69 -15.927  -8.160  11.223
  600    H    LEU  70           HN       LEU  70 -13.163  -5.031   6.126
  601    HA   LEU  70           HA       LEU  70 -15.965  -4.484   6.530
  602    HB2  LEU  70           HB2      LEU  70 -14.100  -3.627   4.311
  603    HB3  LEU  70           HB1      LEU  70 -15.727  -3.022   4.558
  604    HG   LEU  70           HG       LEU  70 -13.428  -2.658   6.483
  605   HD11  LEU  70          HD11      LEU  70 -13.131  -1.380   4.423
  606   HD12  LEU  70          HD12      LEU  70 -13.477  -0.324   5.792
  607   HD13  LEU  70          HD13      LEU  70 -14.740  -0.688   4.616
  608   HD21  LEU  70          HD21      LEU  70 -14.951  -1.072   7.596
  609   HD22  LEU  70          HD22      LEU  70 -15.544  -2.730   7.646
  610   HD23  LEU  70          HD23      LEU  70 -16.244  -1.579   6.509
  611    H    SER  71           HN       SER  71 -16.523  -6.788   6.294
  612    HA   SER  71           HA       SER  71 -16.536  -7.765   3.535
  613    HB2  SER  71           HB2      SER  71 -17.274  -9.186   6.110
  614    HB3  SER  71           HB1      SER  71 -17.104  -9.935   4.522
  615    HG   SER  71           HG       SER  71 -15.159  -9.053   6.307
  616    H    LYS  72           HN       LYS  72 -18.502  -8.423   2.509
  617    HA   LYS  72           HA       LYS  72 -20.998  -7.811   3.899
  618    HB2  LYS  72           HB2      LYS  72 -19.923  -5.827   2.423
  619    HB3  LYS  72           HB1      LYS  72 -20.783  -6.687   1.151
  620    HG2  LYS  72           HG2      LYS  72 -22.861  -6.515   2.534
  621    HG3  LYS  72           HG1      LYS  72 -21.959  -5.502   3.663
  622    HD2  LYS  72           HD2      LYS  72 -21.454  -3.974   1.720
  623    HD3  LYS  72           HD1      LYS  72 -22.606  -4.920   0.775
  624    HE2  LYS  72           HE2      LYS  72 -23.161  -3.341   3.281
  625    HE3  LYS  72           HE1      LYS  72 -23.728  -2.987   1.651
  626    HZ1  LYS  72           HZ1      LYS  72 -24.503  -5.311   3.335
  627    HZ2  LYS  72           HZ2      LYS  72 -24.976  -5.094   1.721
  628    HZ3  LYS  72           HZ3      LYS  72 -25.481  -3.998   2.903
  629    H    ALA  73           HN       ALA  73 -19.382 -10.052   2.419
  630    HA   ALA  73           HA       ALA  73 -21.071 -10.730   0.196
  631    HB1  ALA  73           HB1      ALA  73 -18.846 -12.288   1.491
  632    HB2  ALA  73           HB2      ALA  73 -18.690 -11.193   0.117
  633    HB3  ALA  73           HB3      ALA  73 -19.625 -12.680  -0.040
  634    H    ASP  74           HN       ASP  74 -20.902 -11.634   3.566
  635    HA   ASP  74           HA       ASP  74 -22.501 -14.019   3.141
  636    HB2  ASP  74           HB2      ASP  74 -20.773 -14.062   4.892
  637    HB3  ASP  74           HB1      ASP  74 -21.577 -12.736   5.728
  638    H    GLU  75           HN       GLU  75 -22.983 -10.712   3.979
  639    HA   GLU  75           HA       GLU  75 -25.700 -11.220   4.907
  640    HB2  GLU  75           HB2      GLU  75 -25.760  -8.772   5.336
  641    HB3  GLU  75           HB1      GLU  75 -24.457  -9.597   6.181
  642    HG2  GLU  75           HG2      GLU  75 -22.834  -8.774   4.667
  643    HG3  GLU  75           HG1      GLU  75 -24.072  -8.175   3.566
  644    H    SER  76           HN       SER  76 -24.169 -10.751   1.999
  645    HA   SER  76           HA       SER  76 -26.654 -10.165   0.655
  646    HB2  SER  76           HB2      SER  76 -25.632  -7.925   1.288
  647    HB3  SER  76           HB1      SER  76 -24.302  -8.318   0.201
  648    HG   SER  76           HG       SER  76 -26.999  -8.363  -0.654
  649    H    ALA  77           HN       ALA  77 -26.703 -11.597  -0.932
  650    HA   ALA  77           HA       ALA  77 -24.256 -12.785  -1.906
  651    HB1  ALA  77           HB1      ALA  77 -27.100 -13.420  -2.666
  652    HB2  ALA  77           HB2      ALA  77 -26.180 -14.200  -1.381
  653    HB3  ALA  77           HB3      ALA  77 -25.670 -14.372  -3.060
  654    HA   PRO  78           HA       PRO  78 -25.693 -10.944  -6.094
  655    HB2  PRO  78           HB2      PRO  78 -27.704  -9.168  -6.218
  656    HB3  PRO  78           HB1      PRO  78 -28.009 -10.910  -6.201
  657    HG2  PRO  78           HG2      PRO  78 -28.153  -8.943  -3.943
  658    HG3  PRO  78           HG1      PRO  78 -29.298 -10.226  -4.382
  659    HD2  PRO  78           HD2      PRO  78 -27.446 -10.517  -2.409
  660    HD3  PRO  78           HD1      PRO  78 -28.030 -11.871  -3.397
  661    H    VAL  79           HN       VAL  79 -23.700  -9.965  -4.717
  662    HA   VAL  79           HA       VAL  79 -23.717  -7.121  -5.437
  663    HB   VAL  79           HB       VAL  79 -22.204  -6.665  -3.470
  664   HG11  VAL  79          HG11      VAL  79 -24.054  -6.412  -1.883
  665   HG12  VAL  79          HG12      VAL  79 -25.049  -7.463  -2.890
  666   HG13  VAL  79          HG13      VAL  79 -24.506  -5.906  -3.511
  667   HG21  VAL  79          HG21      VAL  79 -22.375  -8.170  -1.544
  668   HG22  VAL  79          HG22      VAL  79 -21.617  -8.962  -2.926
  669   HG23  VAL  79          HG23      VAL  79 -23.299  -9.309  -2.525
  670    H    ALA  80           HN       ALA  80 -22.805  -8.977  -7.132
  671    HA   ALA  80           HA       ALA  80 -20.158  -9.824  -6.862
  672    HB1  ALA  80           HB1      ALA  80 -21.701 -10.725  -8.526
  673    HB2  ALA  80           HB2      ALA  80 -20.191 -10.186  -9.260
  674    HB3  ALA  80           HB3      ALA  80 -21.644  -9.197  -9.403
  675    H    ASN  81           HN       ASN  81 -21.507  -6.809  -7.988
  676    HA   ASN  81           HA       ASN  81 -19.131  -5.688  -9.026
  677    HB2  ASN  81           HB2      ASN  81 -20.279  -3.504  -8.802
  678    HB3  ASN  81           HB1      ASN  81 -21.284  -4.711  -9.589
  679   HD21  ASN  81          HD21      ASN  81 -22.040  -2.259  -8.215
  680   HD22  ASN  81          HD22      ASN  81 -23.132  -2.733  -6.959
  681    H    TYR  82           HN       TYR  82 -20.557  -5.674  -5.799
  682    HA   TYR  82           HA       TYR  82 -18.636  -3.919  -4.640
  683    HB2  TYR  82           HB2      TYR  82 -20.905  -4.457  -3.663
  684    HB3  TYR  82           HB1      TYR  82 -20.289  -6.048  -3.240
  685    HD1  TYR  82           HD1      TYR  82 -18.486  -6.249  -1.519
  686    HD2  TYR  82           HD2      TYR  82 -20.446  -2.537  -2.279
  687    HE1  TYR  82           HE1      TYR  82 -17.648  -5.368   0.616
  688    HE2  TYR  82           HE2      TYR  82 -19.607  -1.657  -0.149
  689    HH   TYR  82           HH       TYR  82 -17.156  -3.100   1.608
  690    H    ASN  83           HN       ASN  83 -18.906  -7.421  -4.976
  691    HA   ASN  83           HA       ASN  83 -16.662  -8.073  -3.391
  692    HB2  ASN  83           HB2      ASN  83 -18.113  -9.577  -5.564
  693    HB3  ASN  83           HB1      ASN  83 -16.740 -10.259  -4.698
  694   HD21  ASN  83          HD21      ASN  83 -19.556 -11.087  -4.793
  695   HD22  ASN  83          HD22      ASN  83 -20.092 -11.108  -3.148
  696    H    GLN  84           HN       GLN  84 -17.055  -7.497  -6.859
  697    HA   GLN  84           HA       GLN  84 -14.504  -8.299  -7.659
  698    HB2  GLN  84           HB2      GLN  84 -16.337  -7.907  -9.243
  699    HB3  GLN  84           HB1      GLN  84 -16.288  -6.187  -8.889
  700    HG2  GLN  84           HG2      GLN  84 -15.138  -6.357 -10.886
  701    HG3  GLN  84           HG1      GLN  84 -13.858  -6.286  -9.682
  702   HE21  GLN  84          HE21      GLN  84 -14.478  -9.164  -8.936
  703   HE22  GLN  84          HE22      GLN  84 -13.708 -10.084 -10.172
  704    H    ARG  85           HN       ARG  85 -15.671  -5.092  -6.681
  705    HA   ARG  85           HA       ARG  85 -13.252  -3.726  -7.186
  706    HB2  ARG  85           HB2      ARG  85 -15.370  -3.055  -5.129
  707    HB3  ARG  85           HB1      ARG  85 -14.144  -1.955  -5.748
  708    HG2  ARG  85           HG2      ARG  85 -15.116  -2.076  -7.962
  709    HG3  ARG  85           HG1      ARG  85 -16.309  -3.243  -7.395
  710    HD2  ARG  85           HD2      ARG  85 -17.108  -1.503  -5.779
  711    HD3  ARG  85           HD1      ARG  85 -16.034  -0.355  -6.580
  712    HE   ARG  85           HE       ARG  85 -17.629  -1.588  -8.522
  713   HH11  ARG  85          HH11      ARG  85 -17.913   0.690  -5.878
  714   HH12  ARG  85          HH12      ARG  85 -19.314   1.469  -6.542
  715   HH21  ARG  85          HH21      ARG  85 -19.466  -0.568  -9.395
  716   HH22  ARG  85          HH22      ARG  85 -20.194   0.763  -8.553
  717    H    LYS  86           HN       LYS  86 -14.432  -5.572  -4.488
  718    HA   LYS  86           HA       LYS  86 -12.388  -4.865  -2.651
  719    HB2  LYS  86           HB2      LYS  86 -14.427  -5.708  -1.771
  720    HB3  LYS  86           HB1      LYS  86 -14.377  -7.123  -2.814
  721    HG2  LYS  86           HG2      LYS  86 -12.411  -7.946  -1.548
  722    HG3  LYS  86           HG1      LYS  86 -12.577  -6.561  -0.458
  723    HD2  LYS  86           HD2      LYS  86 -14.815  -8.512  -0.959
  724    HD3  LYS  86           HD1      LYS  86 -13.620  -8.746   0.314
  725    HE2  LYS  86           HE2      LYS  86 -15.420  -6.337   0.037
  726    HE3  LYS  86           HE1      LYS  86 -15.689  -7.686   1.134
  727    HZ1  LYS  86           HZ1      LYS  86 -14.663  -5.890   2.314
  728    HZ2  LYS  86           HZ2      LYS  86 -13.394  -5.810   1.197
  729    HZ3  LYS  86           HZ3      LYS  86 -13.555  -7.164   2.195
  730    H    GLU  87           HN       GLU  87 -12.847  -7.566  -4.906
  731    HA   GLU  87           HA       GLU  87 -10.504  -8.979  -4.136
  732    HB2  GLU  87           HB2      GLU  87 -12.035  -9.104  -6.744
  733    HB3  GLU  87           HB1      GLU  87 -10.861 -10.287  -6.182
  734    HG2  GLU  87           HG2      GLU  87 -12.307 -10.795  -4.269
  735    HG3  GLU  87           HG1      GLU  87 -13.492  -9.636  -4.870
  736    H    GLU  88           HN       GLU  88 -11.203  -6.678  -6.742
  737    HA   GLU  88           HA       GLU  88  -8.664  -6.821  -7.979
  738    HB2  GLU  88           HB2      GLU  88 -10.770  -4.662  -7.970
  739    HB3  GLU  88           HB1      GLU  88  -9.299  -4.558  -8.927
  740    HG2  GLU  88           HG2      GLU  88 -11.420  -6.684  -9.163
  741    HG3  GLU  88           HG1      GLU  88 -11.167  -5.334 -10.267
  742    H    GLU  89           HN       GLU  89  -9.877  -4.981  -5.260
  743    HA   GLU  89           HA       GLU  89  -7.686  -3.184  -5.098
  744    HB2  GLU  89           HB2      GLU  89  -9.969  -2.964  -3.959
  745    HB3  GLU  89           HB1      GLU  89  -9.349  -4.081  -2.749
  746    HG2  GLU  89           HG2      GLU  89  -9.089  -1.853  -1.939
  747    HG3  GLU  89           HG1      GLU  89  -7.492  -2.496  -2.316
  748    H    HIS  90           HN       HIS  90  -8.333  -6.385  -3.789
  749    HA   HIS  90           HA       HIS  90  -6.043  -6.629  -2.171
  750    HB2  HIS  90           HB2      HIS  90  -7.798  -8.628  -3.571
  751    HB3  HIS  90           HB1      HIS  90  -6.299  -9.164  -2.821
  752    HD1  HIS  90           HD1      HIS  90  -6.802 -10.164  -0.632
  753    HD2  HIS  90           HD2      HIS  90  -9.225  -6.881  -1.415
  754    HE1  HIS  90           HE1      HIS  90  -8.222  -9.866   1.421
  755    HE2  HIS  90           HE2      HIS  90  -9.752  -7.946   0.881
  756    H    THR  91           HN       THR  91  -6.581  -7.281  -5.595
  757    HA   THR  91           HA       THR  91  -4.063  -8.328  -6.216
  758    HB   THR  91           HB       THR  91  -5.811  -6.665  -8.041
  759    HG1  THR  91           HG1      THR  91  -6.846  -8.668  -8.507
  760   HG21  THR  91          HG21      THR  91  -3.587  -7.238  -8.925
  761   HG22  THR  91          HG22      THR  91  -4.873  -8.057  -9.807
  762   HG23  THR  91          HG23      THR  91  -3.914  -8.944  -8.624
  763    H    LEU  92           HN       LEU  92  -5.235  -4.996  -6.038
  764    HA   LEU  92           HA       LEU  92  -2.880  -3.809  -7.111
  765    HB2  LEU  92           HB2      LEU  92  -5.020  -2.657  -7.170
  766    HB3  LEU  92           HB1      LEU  92  -5.096  -2.651  -5.419
  767    HG   LEU  92           HG       LEU  92  -3.080  -1.192  -5.381
  768   HD11  LEU  92          HD11      LEU  92  -3.504  -1.118  -8.364
  769   HD12  LEU  92          HD12      LEU  92  -2.112  -1.798  -7.520
  770   HD13  LEU  92          HD13      LEU  92  -2.420  -0.064  -7.457
  771   HD21  LEU  92          HD21      LEU  92  -4.249   0.831  -6.068
  772   HD22  LEU  92          HD22      LEU  92  -5.331  -0.263  -5.206
  773   HD23  LEU  92          HD23      LEU  92  -5.418  -0.138  -6.963
  774    H    LEU  93           HN       LEU  93  -4.129  -4.181  -3.795
  775    HA   LEU  93           HA       LEU  93  -1.988  -2.827  -2.555
  776    HB2  LEU  93           HB2      LEU  93  -3.876  -4.880  -1.399
  777    HB3  LEU  93           HB1      LEU  93  -2.798  -3.867  -0.461
  778    HG   LEU  93           HG       LEU  93  -5.085  -2.883  -2.168
  779   HD11  LEU  93          HD11      LEU  93  -6.121  -2.301  -0.033
  780   HD12  LEU  93          HD12      LEU  93  -4.769  -3.039   0.828
  781   HD13  LEU  93          HD13      LEU  93  -5.838  -4.037  -0.158
  782   HD21  LEU  93          HD21      LEU  93  -3.192  -1.395  -0.351
  783   HD22  LEU  93          HD22      LEU  93  -4.609  -0.706  -1.142
  784   HD23  LEU  93          HD23      LEU  93  -3.253  -1.285  -2.109
  785    H    ASP  94           HN       ASP  94  -2.443  -6.179  -3.472
  786    HA   ASP  94           HA       ASP  94  -0.343  -7.262  -1.925
  787    HB2  ASP  94           HB2      ASP  94  -2.072  -8.667  -3.030
  788    HB3  ASP  94           HB1      ASP  94  -1.374  -8.262  -4.597
  789    H    LYS  95           HN       LYS  95  -0.405  -6.068  -5.301
  790    HA   LYS  95           HA       LYS  95   2.252  -6.505  -5.919
  791    HB2  LYS  95           HB2      LYS  95   0.618  -5.844  -7.591
  792    HB3  LYS  95           HB1      LYS  95   0.377  -4.295  -6.793
  793    HG2  LYS  95           HG2      LYS  95   2.790  -3.781  -7.284
  794    HG3  LYS  95           HG1      LYS  95   2.816  -5.236  -8.285
  795    HD2  LYS  95           HD2      LYS  95   1.035  -4.336  -9.676
  796    HD3  LYS  95           HD1      LYS  95   0.935  -2.903  -8.653
  797    HE2  LYS  95           HE2      LYS  95   2.198  -2.447 -10.690
  798    HE3  LYS  95           HE1      LYS  95   3.221  -2.299  -9.264
  799    HZ1  LYS  95           HZ1      LYS  95   4.010  -4.580  -9.721
  800    HZ2  LYS  95           HZ2      LYS  95   4.403  -3.485 -10.943
  801    HZ3  LYS  95           HZ3      LYS  95   3.132  -4.575 -11.164
  802    H    LEU  96           HN       LEU  96   0.761  -3.573  -4.560
  803    HA   LEU  96           HA       LEU  96   3.093  -2.059  -4.379
  804    HB2  LEU  96           HB2      LEU  96   0.711  -1.965  -2.525
  805    HB3  LEU  96           HB1      LEU  96   1.932  -0.718  -2.681
  806    HG   LEU  96           HG       LEU  96  -0.005  -1.564  -4.838
  807   HD11  LEU  96          HD11      LEU  96  -1.090  -0.324  -3.056
  808   HD12  LEU  96          HD12      LEU  96  -0.964   0.665  -4.510
  809   HD13  LEU  96          HD13      LEU  96   0.140   0.936  -3.162
  810   HD21  LEU  96          HD21      LEU  96   2.077   0.617  -4.820
  811   HD22  LEU  96          HD22      LEU  96   0.869   0.359  -6.078
  812   HD23  LEU  96          HD23      LEU  96   2.115  -0.855  -5.793
  813    H    THR  97           HN       THR  97   1.622  -4.145  -1.900
  814    HA   THR  97           HA       THR  97   3.573  -3.859   0.065
  815    HB   THR  97           HB       THR  97   2.023  -6.384  -0.550
  816    HG1  THR  97           HG1      THR  97   0.525  -4.746  -0.328
  817   HG21  THR  97          HG21      THR  97   2.255  -6.847   1.817
  818   HG22  THR  97          HG22      THR  97   3.113  -5.328   2.058
  819   HG23  THR  97          HG23      THR  97   3.852  -6.613   1.101
  820    H    GLN  98           HN       GLN  98   3.383  -6.174  -2.619
  821    HA   GLN  98           HA       GLN  98   5.666  -7.671  -1.944
  822    HB2  GLN  98           HB2      GLN  98   3.890  -8.423  -3.487
  823    HB3  GLN  98           HB1      GLN  98   4.415  -7.224  -4.659
  824    HG2  GLN  98           HG2      GLN  98   5.293  -9.309  -5.334
  825    HG3  GLN  98           HG1      GLN  98   6.632  -8.356  -4.705
  826   HE21  GLN  98          HE21      GLN  98   6.332 -11.248  -5.004
  827   HE22  GLN  98          HE22      GLN  98   6.569 -11.919  -3.427
  828    H    GLN  99           HN       GLN  99   5.204  -4.847  -3.991
  829    HA   GLN  99           HA       GLN  99   7.769  -4.799  -5.152
  830    HB2  GLN  99           HB2      GLN  99   5.571  -3.529  -5.768
  831    HB3  GLN  99           HB1      GLN  99   6.166  -2.312  -4.648
  832    HG2  GLN  99           HG2      GLN  99   8.195  -2.075  -5.968
  833    HG3  GLN  99           HG1      GLN  99   7.625  -3.321  -7.078
  834   HE21  GLN  99          HE21      GLN  99   8.319  -0.611  -7.697
  835   HE22  GLN  99          HE22      GLN  99   6.901   0.139  -8.341
  836    H    LEU 100           HN       LEU 100   6.430  -3.264  -2.261
  837    HA   LEU 100           HA       LEU 100   8.788  -1.803  -1.616
  838    HB2  LEU 100           HB2      LEU 100   6.398  -2.609   0.032
  839    HB3  LEU 100           HB1      LEU 100   7.699  -1.613   0.654
  840    HG   LEU 100           HG       LEU 100   5.877  -0.892  -1.644
  841   HD11  LEU 100          HD11      LEU 100   6.034   0.157   1.176
  842   HD12  LEU 100          HD12      LEU 100   4.753  -0.859   0.516
  843   HD13  LEU 100          HD13      LEU 100   4.987   0.774  -0.100
  844   HD21  LEU 100          HD21      LEU 100   8.121   0.619  -0.314
  845   HD22  LEU 100          HD22      LEU 100   6.945   1.342  -1.409
  846   HD23  LEU 100          HD23      LEU 100   8.039   0.090  -1.995
  847    H    GLN 101           HN       GLN 101   7.405  -4.840  -0.427
  848    HA   GLN 101           HA       GLN 101   9.362  -5.375   1.505
  849    HB2  GLN 101           HB2      GLN 101   7.200  -6.518   1.455
  850    HB3  GLN 101           HB1      GLN 101   7.623  -7.290  -0.065
  851    HG2  GLN 101           HG2      GLN 101   7.821  -8.804   1.844
  852    HG3  GLN 101           HG1      GLN 101   9.356  -8.572   1.013
  853   HE21  GLN 101          HE21      GLN 101  10.494  -9.256   2.840
  854   HE22  GLN 101          HE22      GLN 101  10.672  -8.253   4.240
  855    H    GLY 102           HN       GLY 102   9.206  -6.104  -1.945
  856    HA2  GLY 102           HA2      GLY 102  11.540  -7.689  -2.081
  857    HA3  GLY 102           HA1      GLY 102  10.844  -6.774  -3.409
  858    H    LEU 103           HN       LEU 103  11.013  -4.210  -2.452
  859    HA   LEU 103           HA       LEU 103  13.682  -3.524  -3.048
  860    HB2  LEU 103           HB2      LEU 103  11.812  -2.026  -3.516
  861    HB3  LEU 103           HB1      LEU 103  11.463  -1.890  -1.803
  862    HG   LEU 103           HG       LEU 103  13.666  -0.770  -1.481
  863   HD11  LEU 103          HD11      LEU 103  14.839  -1.700  -3.399
  864   HD12  LEU 103          HD12      LEU 103  14.854   0.062  -3.453
  865   HD13  LEU 103          HD13      LEU 103  13.756  -0.843  -4.496
  866   HD21  LEU 103          HD21      LEU 103  12.994   1.356  -2.465
  867   HD22  LEU 103          HD22      LEU 103  11.614   0.524  -1.749
  868   HD23  LEU 103          HD23      LEU 103  11.834   0.520  -3.499
  869    H    ALA 104           HN       ALA 104  11.878  -3.725  -0.027
  870    HA   ALA 104           HA       ALA 104  13.764  -2.615   1.697
  871    HB1  ALA 104           HB1      ALA 104  12.625  -3.892   3.474
  872    HB2  ALA 104           HB2      ALA 104  11.749  -4.793   2.236
  873    HB3  ALA 104           HB3      ALA 104  11.497  -3.055   2.408
  874    H    VAL 105           HN       VAL 105  13.319  -6.000   0.696
  875    HA   VAL 105           HA       VAL 105  15.485  -6.998   2.219
  876    HB   VAL 105           HB       VAL 105  14.157  -8.161  -0.229
  877   HG11  VAL 105          HG11      VAL 105  16.004  -9.474   1.756
  878   HG12  VAL 105          HG12      VAL 105  16.385  -9.098   0.075
  879   HG13  VAL 105          HG13      VAL 105  15.139 -10.288   0.453
  880   HG21  VAL 105          HG21      VAL 105  12.998  -9.590   1.389
  881   HG22  VAL 105          HG22      VAL 105  12.641  -7.881   1.646
  882   HG23  VAL 105          HG23      VAL 105  13.778  -8.714   2.706
  883    H    THR 106           HN       THR 106  15.208  -5.706  -1.036
  884    HA   THR 106           HA       THR 106  17.751  -6.400  -1.984
  885    HB   THR 106           HB       THR 106  16.098  -3.955  -2.654
  886    HG1  THR 106           HG1      THR 106  15.455  -6.398  -3.039
  887   HG21  THR 106          HG21      THR 106  18.412  -3.679  -3.372
  888   HG22  THR 106          HG22      THR 106  17.356  -3.927  -4.762
  889   HG23  THR 106          HG23      THR 106  18.363  -5.248  -4.172
  890    H    ILE 107           HN       ILE 107  16.645  -3.623  -0.089
  891    HA   ILE 107           HA       ILE 107  19.244  -2.397  -0.015
  892    HB   ILE 107           HB       ILE 107  16.831  -1.843   1.717
  893   HG12  ILE 107          HG12      ILE 107  17.742  -0.389  -0.778
  894   HG13  ILE 107          HG11      ILE 107  16.443  -1.578  -0.753
  895   HG21  ILE 107          HG21      ILE 107  19.332  -0.250   1.185
  896   HG22  ILE 107          HG22      ILE 107  18.841  -0.979   2.714
  897   HG23  ILE 107          HG23      ILE 107  17.917   0.365   2.038
  898   HD11  ILE 107          HD11      ILE 107  15.175  -0.168   0.773
  899   HD12  ILE 107          HD12      ILE 107  15.582   0.692  -0.714
  900   HD13  ILE 107          HD13      ILE 107  16.482   1.018   0.769
  901    H    SER 108           HN       SER 108  17.339  -4.496   2.058
  902    HA   SER 108           HA       SER 108  18.947  -4.358   4.368
  903    HB2  SER 108           HB2      SER 108  16.701  -5.286   4.465
  904    HB3  SER 108           HB1      SER 108  17.145  -6.574   3.350
  905    HG   SER 108           HG       SER 108  17.724  -6.271   6.059
  906    H    ARG 109           HN       ARG 109  19.292  -6.039   1.369
  907    HA   ARG 109           HA       ARG 109  21.712  -7.363   2.387
  908    HB2  ARG 109           HB2      ARG 109  19.891  -8.285   0.152
  909    HB3  ARG 109           HB1      ARG 109  21.351  -9.104   0.689
  910    HG2  ARG 109           HG2      ARG 109  20.327  -9.483   2.882
  911    HG3  ARG 109           HG1      ARG 109  18.856  -8.684   2.323
  912    HD2  ARG 109           HD2      ARG 109  18.619 -11.096   2.180
  913    HD3  ARG 109           HD1      ARG 109  18.617 -10.379   0.570
  914    HE   ARG 109           HE       ARG 109  21.188 -11.318   1.519
  915   HH11  ARG 109          HH11      ARG 109  18.319 -12.010  -0.367
  916   HH12  ARG 109          HH12      ARG 109  19.058 -13.314  -1.238
  917   HH21  ARG 109          HH21      ARG 109  22.164 -13.016   0.372
  918   HH22  ARG 109          HH22      ARG 109  21.251 -13.885  -0.818
  919    H    GLU 110           HN       GLU 110  22.167  -4.917   1.732
  920    HA   GLU 110           HA       GLU 110  22.476  -4.486  -1.096
  921    HB2  GLU 110           HB2      GLU 110  22.022  -2.826   1.005
  922    HB3  GLU 110           HB1      GLU 110  23.757  -2.625   0.808
  923    HG2  GLU 110           HG2      GLU 110  21.666  -2.179  -1.309
  924    HG3  GLU 110           HG1      GLU 110  22.526  -0.930  -0.412
  925    H    ASN 111           HN       ASN 111  24.704  -4.556   1.684
  926    HA   ASN 111           HA       ASN 111  26.746  -5.845   0.089
  927    HB2  ASN 111           HB2      ASN 111  26.969  -3.360  -0.364
  928    HB3  ASN 111           HB1      ASN 111  27.335  -3.153   1.344
  929   HD21  ASN 111          HD21      ASN 111  29.383  -2.374   0.961
  930   HD22  ASN 111          HD22      ASN 111  30.675  -3.373   0.392
  931    H    ILE 112           HN       ILE 112  25.981  -7.333   1.856
  932    HA   ILE 112           HA       ILE 112  26.876  -6.609   4.527
  933    HB   ILE 112           HB       ILE 112  25.542  -9.179   3.699
  934   HG12  ILE 112          HG12      ILE 112  24.245  -6.691   4.822
  935   HG13  ILE 112          HG11      ILE 112  24.153  -7.183   3.139
  936   HG21  ILE 112          HG21      ILE 112  25.845  -7.819   6.371
  937   HG22  ILE 112          HG22      ILE 112  26.678  -9.280   5.841
  938   HG23  ILE 112          HG23      ILE 112  24.931  -9.297   6.076
  939   HD11  ILE 112          HD11      ILE 112  22.979  -9.208   3.777
  940   HD12  ILE 112          HD12      ILE 112  22.143  -7.779   4.388
  941   HD13  ILE 112          HD13      ILE 112  23.117  -8.763   5.478
  942    H    THR 113           HN       THR 113  27.091  -9.775   2.909
  943    HA   THR 113           HA       THR 113  29.672 -10.117   4.254
  944    HB   THR 113           HB       THR 113  28.188 -12.364   2.941
  945    HG1  THR 113           HG1      THR 113  27.555 -11.867   5.600
  946   HG21  THR 113          HG21      THR 113  30.395 -12.760   3.961
  947   HG22  THR 113          HG22      THR 113  29.119 -13.648   4.790
  948   HG23  THR 113          HG23      THR 113  29.775 -12.176   5.505
  949    H    GLU 114           HN       GLU 114  28.651  -9.168   1.312
  950    HA   GLU 114           HA       GLU 114  30.335 -10.845  -0.314
  951    HB2  GLU 114           HB2      GLU 114  29.589  -9.340  -2.172
  952    HB3  GLU 114           HB1      GLU 114  28.302 -10.175  -1.326
  953    HG2  GLU 114           HG2      GLU 114  27.856  -8.137  -0.031
  954    HG3  GLU 114           HG1      GLU 114  29.111  -7.307  -0.951
  955    H    VAL 115           HN       VAL 115  31.263  -8.809   1.805
  956    HA   VAL 115           HA       VAL 115  33.524  -7.884   0.175
  957    HB   VAL 115           HB       VAL 115  33.814  -6.069   1.959
  958   HG11  VAL 115          HG11      VAL 115  32.275  -4.547   0.814
  959   HG12  VAL 115          HG12      VAL 115  31.446  -5.928   0.096
  960   HG13  VAL 115          HG13      VAL 115  33.125  -5.588  -0.327
  961   HG21  VAL 115          HG21      VAL 115  30.921  -6.771   2.462
  962   HG22  VAL 115          HG22      VAL 115  31.746  -5.337   3.074
  963   HG23  VAL 115          HG23      VAL 115  32.251  -6.940   3.608
  964    H    GLY 116           HN       GLY 116  32.974 -10.343   1.672
  965    HA2  GLY 116           HA2      GLY 116  35.075 -10.183   3.742
  966    HA3  GLY 116           HA1      GLY 116  33.745 -11.331   3.769
  967    H    ALA 117           HN       ALA 117  36.950 -10.899   2.986
  968    HA   ALA 117           HA       ALA 117  36.958 -13.338   1.338
  969    HB1  ALA 117           HB1      ALA 117  37.386 -11.386  -0.077
  970    HB2  ALA 117           HB2      ALA 117  38.820 -12.406   0.048
  971    HB3  ALA 117           HB3      ALA 117  38.718 -10.911   0.976
  972    HA   PRO 118           HA       PRO 118  39.954 -14.693   4.303
  973    HB2  PRO 118           HB2      PRO 118  41.218 -16.649   2.978
  974    HB3  PRO 118           HB1      PRO 118  39.508 -16.785   3.405
  975    HG2  PRO 118           HG2      PRO 118  40.759 -16.094   0.783
  976    HG3  PRO 118           HG1      PRO 118  39.343 -17.106   1.117
  977    HD2  PRO 118           HD2      PRO 118  39.249 -14.464   0.299
  978    HD3  PRO 118           HD1      PRO 118  37.935 -15.315   1.133
  979    H    THR 119           HN       THR 119  40.827 -12.336   3.502
  980    HA   THR 119           HA       THR 119  43.700 -12.704   3.292
  981    HB   THR 119           HB       THR 119  42.269 -10.837   1.382
  982    HG1  THR 119           HG1      THR 119  42.994 -13.510   1.174
  983   HG21  THR 119          HG21      THR 119  45.165 -11.677   1.583
  984   HG22  THR 119          HG22      THR 119  44.510 -10.101   2.032
  985   HG23  THR 119          HG23      THR 119  44.482 -10.621   0.347
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1 -19.258  23.399  -2.939
    2    H2   GLY   1           HT2      GLY   1 -18.443  22.908  -1.544
    3    H3   GLY   1           HT3      GLY   1 -19.967  23.627  -1.420
    4    HA2  GLY   1           HA1      GLY   1 -20.958  21.748  -2.597
    5    HA3  GLY   1           HA2      GLY   1 -19.370  20.999  -2.657
    6    HA   PRO   2           HA       PRO   2 -21.612  20.761   1.707
    7    HB2  PRO   2           HB2      PRO   2 -23.548  18.805   0.628
    8    HB3  PRO   2           HB1      PRO   2 -23.807  20.136   1.758
    9    HG2  PRO   2           HG2      PRO   2 -24.683  20.262  -0.769
   10    HG3  PRO   2           HG1      PRO   2 -24.066  21.694   0.075
   11    HD2  PRO   2           HD2      PRO   2 -22.729  19.979  -1.979
   12    HD3  PRO   2           HD1      PRO   2 -22.685  21.743  -1.777
   13    H    MET   3           HN       MET   3 -21.252  18.292  -0.796
   14    HA   MET   3           HA       MET   3 -19.825  16.621   1.158
   15    HB2  MET   3           HB2      MET   3 -21.751  15.642  -0.961
   16    HB3  MET   3           HB1      MET   3 -20.738  14.606   0.032
   17    HG2  MET   3           HG2      MET   3 -22.919  16.423   1.035
   18    HG3  MET   3           HG1      MET   3 -23.025  14.675   0.849
   19    HE1  MET   3           HE1      MET   3 -23.692  16.317   3.531
   20    HE2  MET   3           HE2      MET   3 -22.974  15.258   4.743
   21    HE3  MET   3           HE3      MET   3 -23.875  14.568   3.393
   22    H    ALA   4           HN       ALA   4 -18.223  18.155  -0.079
   23    HA   ALA   4           HA       ALA   4 -17.492  17.358  -2.726
   24    HB1  ALA   4           HB1      ALA   4 -17.032  19.610  -1.884
   25    HB2  ALA   4           HB2      ALA   4 -15.559  18.806  -2.423
   26    HB3  ALA   4           HB3      ALA   4 -15.911  18.937  -0.702
   27    H    MET   5           HN       MET   5 -16.639  16.347   0.488
   28    HA   MET   5           HA       MET   5 -14.621  14.511  -0.602
   29    HB2  MET   5           HB2      MET   5 -13.970  15.878   1.371
   30    HB3  MET   5           HB1      MET   5 -15.269  15.128   2.287
   31    HG2  MET   5           HG2      MET   5 -14.198  12.936   1.961
   32    HG3  MET   5           HG1      MET   5 -12.872  13.733   1.119
   33    HE1  MET   5           HE1      MET   5 -14.672  13.125   4.527
   34    HE2  MET   5           HE2      MET   5 -14.889  14.865   4.343
   35    HE3  MET   5           HE3      MET   5 -13.832  14.238   5.608
   36    H    LEU   6           HN       LEU   6 -15.792  12.854  -1.466
   37    HA   LEU   6           HA       LEU   6 -18.139  11.845  -0.172
   38    HB2  LEU   6           HB2      LEU   6 -16.583  10.826  -2.546
   39    HB3  LEU   6           HB1      LEU   6 -18.087  10.125  -1.983
   40    HG   LEU   6           HG       LEU   6 -17.747  12.942  -3.018
   41   HD11  LEU   6          HD11      LEU   6 -19.043  10.512  -4.245
   42   HD12  LEU   6          HD12      LEU   6 -17.554  11.289  -4.783
   43   HD13  LEU   6          HD13      LEU   6 -19.091  12.145  -4.909
   44   HD21  LEU   6          HD21      LEU   6 -20.208  11.440  -2.126
   45   HD22  LEU   6          HD22      LEU   6 -20.208  13.007  -2.935
   46   HD23  LEU   6          HD23      LEU   6 -19.487  12.842  -1.335
   47    H    ALA   7           HN       ALA   7 -16.723  11.515   1.849
   48    HA   ALA   7           HA       ALA   7 -15.344   8.980   1.937
   49    HB1  ALA   7           HB1      ALA   7 -15.136   9.420   4.335
   50    HB2  ALA   7           HB2      ALA   7 -16.200  10.817   4.172
   51    HB3  ALA   7           HB3      ALA   7 -14.622  10.814   3.384
   52    H    ARG   8           HN       ARG   8 -17.136   7.786   1.038
   53    HA   ARG   8           HA       ARG   8 -19.721   7.769   2.107
   54    HB2  ARG   8           HB2      ARG   8 -18.428   5.463   0.659
   55    HB3  ARG   8           HB1      ARG   8 -20.136   5.866   0.723
   56    HG2  ARG   8           HG2      ARG   8 -17.968   7.406  -0.685
   57    HG3  ARG   8           HG1      ARG   8 -19.255   6.458  -1.429
   58    HD2  ARG   8           HD2      ARG   8 -19.663   8.915   0.270
   59    HD3  ARG   8           HD1      ARG   8 -19.686   8.887  -1.491
   60    HE   ARG   8           HE       ARG   8 -21.556   7.034  -0.716
   61   HH11  ARG   8          HH11      ARG   8 -21.032  10.448  -0.139
   62   HH12  ARG   8          HH12      ARG   8 -22.723  10.819  -0.044
   63   HH21  ARG   8          HH21      ARG   8 -23.787   7.530  -0.579
   64   HH22  ARG   8          HH22      ARG   8 -24.288   9.165  -0.287
   65    H    ARG   9           HN       ARG   9 -17.453   5.029   2.290
   66    HA   ARG   9           HA       ARG   9 -16.806   3.664   3.971
   67    HB2  ARG   9           HB2      ARG   9 -18.065   5.807   5.657
   68    HB3  ARG   9           HB1      ARG   9 -17.357   4.361   6.363
   69    HG2  ARG   9           HG2      ARG   9 -15.202   4.913   5.416
   70    HG3  ARG   9           HG1      ARG   9 -15.893   6.316   4.601
   71    HD2  ARG   9           HD2      ARG   9 -16.377   7.364   6.711
   72    HD3  ARG   9           HD1      ARG   9 -15.868   5.922   7.589
   73    HE   ARG   9           HE       ARG   9 -13.608   6.422   6.458
   74   HH11  ARG   9          HH11      ARG   9 -15.890   8.858   7.533
   75   HH12  ARG   9          HH12      ARG   9 -14.665  10.039   7.869
   76   HH21  ARG   9          HH21      ARG   9 -11.991   7.978   6.903
   77   HH22  ARG   9          HH22      ARG   9 -12.448   9.540   7.505
   78    H    GLN  10           HN       GLN  10 -20.128   4.772   4.633
   79    HA   GLN  10           HA       GLN  10 -20.899   2.470   6.037
   80    HB2  GLN  10           HB2      GLN  10 -22.061   4.639   6.192
   81    HB3  GLN  10           HB1      GLN  10 -22.655   4.428   4.551
   82    HG2  GLN  10           HG2      GLN  10 -24.362   3.881   6.195
   83    HG3  GLN  10           HG1      GLN  10 -23.917   2.467   5.240
   84   HE21  GLN  10          HE21      GLN  10 -24.642   1.043   6.802
   85   HE22  GLN  10          HE22      GLN  10 -23.804   0.793   8.294
   86    H    ARG  11           HN       ARG  11 -22.105   3.423   2.808
   87    HA   ARG  11           HA       ARG  11 -22.696   0.604   2.305
   88    HB2  ARG  11           HB2      ARG  11 -23.593   3.113   0.881
   89    HB3  ARG  11           HB1      ARG  11 -23.978   1.490   0.332
   90    HG2  ARG  11           HG2      ARG  11 -25.112   1.081   2.500
   91    HG3  ARG  11           HG1      ARG  11 -24.822   2.768   2.923
   92    HD2  ARG  11           HD2      ARG  11 -26.370   1.822   0.514
   93    HD3  ARG  11           HD1      ARG  11 -27.087   2.376   2.025
   94    HE   ARG  11           HE       ARG  11 -25.454   4.426   1.212
   95   HH11  ARG  11          HH11      ARG  11 -28.152   2.692  -0.192
   96   HH12  ARG  11          HH12      ARG  11 -28.735   4.064  -1.079
   97   HH21  ARG  11          HH21      ARG  11 -26.214   6.226   0.047
   98   HH22  ARG  11          HH22      ARG  11 -27.624   6.076  -0.951
   99    H    ASP  12           HN       ASP  12 -20.542   3.105   1.407
  100    HA   ASP  12           HA       ASP  12 -19.394   1.319  -0.632
  101    HB2  ASP  12           HB2      ASP  12 -19.776   4.303  -0.714
  102    HB3  ASP  12           HB1      ASP  12 -18.476   3.550  -1.631
  103    HA   PRO  13           HA       PRO  13 -16.245   2.168   2.743
  104    HB2  PRO  13           HB2      PRO  13 -15.462  -0.444   2.932
  105    HB3  PRO  13           HB1      PRO  13 -16.737   0.261   3.932
  106    HG2  PRO  13           HG2      PRO  13 -16.971  -1.393   1.449
  107    HG3  PRO  13           HG1      PRO  13 -17.924  -1.474   2.942
  108    HD2  PRO  13           HD2      PRO  13 -18.852  -0.259   0.724
  109    HD3  PRO  13           HD1      PRO  13 -19.241   0.334   2.352
  110    H    LEU  14           HN       LEU  14 -16.310   0.154  -0.132
  111    HA   LEU  14           HA       LEU  14 -13.533  -0.074  -0.521
  112    HB2  LEU  14           HB2      LEU  14 -15.688  -0.078  -2.641
  113    HB3  LEU  14           HB1      LEU  14 -14.059  -0.714  -2.810
  114    HG   LEU  14           HG       LEU  14 -16.168  -1.821  -0.946
  115   HD11  LEU  14          HD11      LEU  14 -15.126  -2.862  -3.574
  116   HD12  LEU  14          HD12      LEU  14 -16.733  -2.202  -3.280
  117   HD13  LEU  14          HD13      LEU  14 -16.241  -3.705  -2.501
  118   HD21  LEU  14          HD21      LEU  14 -13.981  -2.236  -0.053
  119   HD22  LEU  14          HD22      LEU  14 -13.383  -2.751  -1.629
  120   HD23  LEU  14          HD23      LEU  14 -14.578  -3.729  -0.776
  121    H    GLN  15           HN       GLN  15 -15.870   2.345  -1.646
  122    HA   GLN  15           HA       GLN  15 -14.061   3.720  -3.326
  123    HB2  GLN  15           HB2      GLN  15 -16.492   4.015  -3.498
  124    HB3  GLN  15           HB1      GLN  15 -16.518   4.779  -1.915
  125    HG2  GLN  15           HG2      GLN  15 -15.077   6.576  -2.786
  126    HG3  GLN  15           HG1      GLN  15 -15.140   5.826  -4.379
  127   HE21  GLN  15          HE21      GLN  15 -17.933   5.035  -4.070
  128   HE22  GLN  15          HE22      GLN  15 -18.860   6.480  -4.254
  129    H    ALA  16           HN       ALA  16 -15.045   4.303   0.046
  130    HA   ALA  16           HA       ALA  16 -13.425   6.603   0.393
  131    HB1  ALA  16           HB1      ALA  16 -13.849   6.279   2.792
  132    HB2  ALA  16           HB2      ALA  16 -14.554   4.700   2.440
  133    HB3  ALA  16           HB3      ALA  16 -15.324   6.165   1.832
  134    H    LEU  17           HN       LEU  17 -12.967   3.200   1.265
  135    HA   LEU  17           HA       LEU  17 -10.407   3.472   2.370
  136    HB2  LEU  17           HB2      LEU  17 -11.841   1.466   2.593
  137    HB3  LEU  17           HB1      LEU  17 -11.519   1.078   0.914
  138    HG   LEU  17           HG       LEU  17  -9.132   0.808   1.430
  139   HD11  LEU  17          HD11      LEU  17  -9.983   1.338   4.273
  140   HD12  LEU  17          HD12      LEU  17  -8.925   2.347   3.285
  141   HD13  LEU  17          HD13      LEU  17  -8.401   0.737   3.777
  142   HD21  LEU  17          HD21      LEU  17 -10.572  -1.136   1.501
  143   HD22  LEU  17          HD22      LEU  17 -10.983  -0.796   3.182
  144   HD23  LEU  17          HD23      LEU  17  -9.334  -1.249   2.752
  145    H    ARG  18           HN       ARG  18 -11.439   2.998  -0.977
  146    HA   ARG  18           HA       ARG  18  -8.934   2.575  -2.147
  147    HB2  ARG  18           HB2      ARG  18 -11.112   2.361  -3.333
  148    HB3  ARG  18           HB1      ARG  18 -11.249   4.113  -3.340
  149    HG2  ARG  18           HG2      ARG  18  -9.185   4.240  -4.682
  150    HG3  ARG  18           HG1      ARG  18  -9.132   2.476  -4.723
  151    HD2  ARG  18           HD2      ARG  18 -11.382   2.492  -5.781
  152    HD3  ARG  18           HD1      ARG  18 -11.294   4.251  -5.848
  153    HE   ARG  18           HE       ARG  18  -9.014   3.218  -7.088
  154   HH11  ARG  18          HH11      ARG  18 -12.475   3.358  -7.580
  155   HH12  ARG  18          HH12      ARG  18 -12.367   3.244  -9.307
  156   HH21  ARG  18          HH21      ARG  18  -8.859   3.085  -9.359
  157   HH22  ARG  18          HH22      ARG  18 -10.303   3.094 -10.322
  158    H    ARG  19           HN       ARG  19 -10.553   5.540  -1.167
  159    HA   ARG  19           HA       ARG  19  -8.763   7.386  -2.291
  160    HB2  ARG  19           HB2      ARG  19 -10.416   7.569   0.236
  161    HB3  ARG  19           HB1      ARG  19  -9.605   8.931  -0.526
  162    HG2  ARG  19           HG2      ARG  19 -10.975   8.643  -2.520
  163    HG3  ARG  19           HG1      ARG  19 -11.773   7.256  -1.776
  164    HD2  ARG  19           HD2      ARG  19 -13.115   9.305  -1.598
  165    HD3  ARG  19           HD1      ARG  19 -12.657   8.667  -0.021
  166    HE   ARG  19           HE       ARG  19 -10.958  10.411   0.085
  167   HH11  ARG  19          HH11      ARG  19 -13.485  10.813  -2.310
  168   HH12  ARG  19          HH12      ARG  19 -13.298  12.537  -2.391
  169   HH21  ARG  19          HH21      ARG  19 -10.721  12.670  -0.017
  170   HH22  ARG  19          HH22      ARG  19 -11.733  13.594  -1.082
  171    H    ARG  20           HN       ARG  20  -8.787   5.744   0.844
  172    HA   ARG  20           HA       ARG  20  -6.336   6.863   1.738
  173    HB2  ARG  20           HB2      ARG  20  -7.777   4.350   2.589
  174    HB3  ARG  20           HB1      ARG  20  -6.378   5.019   3.416
  175    HG2  ARG  20           HG2      ARG  20  -9.053   6.364   3.083
  176    HG3  ARG  20           HG1      ARG  20  -8.435   5.612   4.555
  177    HD2  ARG  20           HD2      ARG  20  -6.584   7.231   4.588
  178    HD3  ARG  20           HD1      ARG  20  -7.230   7.989   3.134
  179    HE   ARG  20           HE       ARG  20  -8.995   7.860   5.462
  180   HH11  ARG  20          HH11      ARG  20  -6.860   9.772   3.439
  181   HH12  ARG  20          HH12      ARG  20  -7.414  11.289   4.073
  182   HH21  ARG  20          HH21      ARG  20  -9.727   9.863   6.284
  183   HH22  ARG  20          HH22      ARG  20  -9.045  11.339   5.680
  184    H    ASN  21           HN       ASN  21  -7.153   3.912  -0.042
  185    HA   ASN  21           HA       ASN  21  -4.558   2.810  -0.070
  186    HB2  ASN  21           HB2      ASN  21  -6.822   2.512  -2.058
  187    HB3  ASN  21           HB1      ASN  21  -5.309   1.624  -2.174
  188   HD21  ASN  21          HD21      ASN  21  -7.882   0.462  -1.914
  189   HD22  ASN  21          HD22      ASN  21  -7.897  -0.395  -0.411
  190    H    GLN  22           HN       GLN  22  -6.154   5.110  -2.238
  191    HA   GLN  22           HA       GLN  22  -4.057   5.376  -4.094
  192    HB2  GLN  22           HB2      GLN  22  -6.303   6.216  -4.547
  193    HB3  GLN  22           HB1      GLN  22  -6.151   7.384  -3.241
  194    HG2  GLN  22           HG2      GLN  22  -4.331   8.487  -4.448
  195    HG3  GLN  22           HG1      GLN  22  -4.499   7.321  -5.758
  196   HE21  GLN  22          HE21      GLN  22  -4.773  10.226  -5.787
  197   HE22  GLN  22          HE22      GLN  22  -6.356  10.546  -6.395
  198    H    GLU  23           HN       GLU  23  -4.606   6.715  -0.952
  199    HA   GLU  23           HA       GLU  23  -2.759   8.867  -1.069
  200    HB2  GLU  23           HB2      GLU  23  -4.633   8.494   0.624
  201    HB3  GLU  23           HB1      GLU  23  -3.586   7.309   1.386
  202    HG2  GLU  23           HG2      GLU  23  -3.391   9.339   2.589
  203    HG3  GLU  23           HG1      GLU  23  -1.894   9.103   1.688
  204    H    LEU  24           HN       LEU  24  -2.629   5.568   0.192
  205    HA   LEU  24           HA       LEU  24   0.111   5.607   0.898
  206    HB2  LEU  24           HB2      LEU  24  -1.681   3.262   0.257
  207    HB3  LEU  24           HB1      LEU  24  -0.109   3.154   1.022
  208    HG   LEU  24           HG       LEU  24  -2.517   4.546   2.210
  209   HD11  LEU  24          HD11      LEU  24  -1.247   1.906   2.923
  210   HD12  LEU  24          HD12      LEU  24  -2.792   2.113   2.097
  211   HD13  LEU  24          HD13      LEU  24  -2.597   2.676   3.756
  212   HD21  LEU  24          HD21      LEU  24   0.209   3.944   3.356
  213   HD22  LEU  24          HD22      LEU  24  -1.155   4.614   4.250
  214   HD23  LEU  24          HD23      LEU  24  -0.419   5.540   2.941
  215    H    LYS  25           HN       LYS  25  -1.635   4.681  -2.022
  216    HA   LYS  25           HA       LYS  25   0.450   3.481  -3.422
  217    HB2  LYS  25           HB2      LYS  25  -1.780   3.334  -4.279
  218    HB3  LYS  25           HB1      LYS  25  -1.913   5.081  -4.404
  219    HG2  LYS  25           HG2      LYS  25  -1.608   4.056  -6.587
  220    HG3  LYS  25           HG1      LYS  25  -0.247   5.100  -6.176
  221    HD2  LYS  25           HD2      LYS  25   0.972   3.048  -5.406
  222    HD3  LYS  25           HD1      LYS  25  -0.349   2.093  -6.080
  223    HE2  LYS  25           HE2      LYS  25   1.332   4.050  -7.638
  224    HE3  LYS  25           HE1      LYS  25   1.591   2.308  -7.604
  225    HZ1  LYS  25           HZ1      LYS  25   0.330   3.043  -9.550
  226    HZ2  LYS  25           HZ2      LYS  25  -0.901   3.623  -8.546
  227    HZ3  LYS  25           HZ3      LYS  25  -0.555   1.968  -8.592
  228    H    GLN  26           HN       GLN  26  -0.486   6.906  -3.284
  229    HA   GLN  26           HA       GLN  26   1.513   7.826  -5.040
  230    HB2  GLN  26           HB2      GLN  26   0.071   9.276  -2.818
  231    HB3  GLN  26           HB1      GLN  26   1.082  10.058  -4.024
  232    HG2  GLN  26           HG2      GLN  26  -1.253   8.370  -4.824
  233    HG3  GLN  26           HG1      GLN  26  -1.466  10.048  -4.345
  234   HE21  GLN  26          HE21      GLN  26   1.400   9.005  -6.060
  235   HE22  GLN  26          HE22      GLN  26   1.007   9.765  -7.557
  236    H    GLN  27           HN       GLN  27   1.498   7.092  -1.637
  237    HA   GLN  27           HA       GLN  27   3.978   8.368  -1.027
  238    HB2  GLN  27           HB2      GLN  27   2.430   6.200   0.399
  239    HB3  GLN  27           HB1      GLN  27   3.877   6.967   1.044
  240    HG2  GLN  27           HG2      GLN  27   2.749   9.121   1.070
  241    HG3  GLN  27           HG1      GLN  27   1.314   8.391   0.355
  242   HE21  GLN  27          HE21      GLN  27   3.263   6.850   2.815
  243   HE22  GLN  27          HE22      GLN  27   2.084   6.935   4.070
  244    H    VAL  28           HN       VAL  28   2.979   5.198  -2.164
  245    HA   VAL  28           HA       VAL  28   5.497   3.915  -1.898
  246    HB   VAL  28           HB       VAL  28   3.178   3.321  -3.749
  247   HG11  VAL  28          HG11      VAL  28   4.219   1.112  -4.047
  248   HG12  VAL  28          HG12      VAL  28   5.626   1.673  -3.143
  249   HG13  VAL  28          HG13      VAL  28   5.218   2.418  -4.688
  250   HG21  VAL  28          HG21      VAL  28   2.725   1.485  -2.177
  251   HG22  VAL  28          HG22      VAL  28   2.612   3.065  -1.399
  252   HG23  VAL  28          HG23      VAL  28   4.038   2.058  -1.149
  253    H    ASP  29           HN       ASP  29   3.874   5.617  -4.564
  254    HA   ASP  29           HA       ASP  29   5.884   5.398  -6.495
  255    HB2  ASP  29           HB2      ASP  29   3.844   7.568  -5.986
  256    HB3  ASP  29           HB1      ASP  29   4.979   7.652  -7.327
  257    H    SER  30           HN       SER  30   5.499   7.586  -3.791
  258    HA   SER  30           HA       SER  30   7.647   9.307  -4.419
  259    HB2  SER  30           HB2      SER  30   6.440   8.667  -1.718
  260    HB3  SER  30           HB1      SER  30   7.462  10.054  -2.090
  261    HG   SER  30           HG       SER  30   4.915   9.490  -3.243
  262    H    LEU  31           HN       LEU  31   7.411   6.334  -2.525
  263    HA   LEU  31           HA       LEU  31  10.033   6.404  -1.475
  264    HB2  LEU  31           HB2      LEU  31   7.995   4.976  -0.776
  265    HB3  LEU  31           HB1      LEU  31   8.481   3.889  -2.057
  266    HG   LEU  31           HG       LEU  31   9.222   3.173   0.200
  267   HD11  LEU  31          HD11      LEU  31  11.558   2.692  -0.383
  268   HD12  LEU  31          HD12      LEU  31  11.440   3.830  -1.725
  269   HD13  LEU  31          HD13      LEU  31  10.446   2.373  -1.714
  270   HD21  LEU  31          HD21      LEU  31  10.991   5.609   0.091
  271   HD22  LEU  31          HD22      LEU  31  11.016   4.353   1.328
  272   HD23  LEU  31          HD23      LEU  31   9.602   5.391   1.154
  273    H    LEU  32           HN       LEU  32   8.621   5.020  -4.404
  274    HA   LEU  32           HA       LEU  32  10.891   3.646  -5.309
  275    HB2  LEU  32           HB2      LEU  32   8.597   4.866  -6.849
  276    HB3  LEU  32           HB1      LEU  32   9.760   3.739  -7.520
  277    HG   LEU  32           HG       LEU  32   7.845   3.124  -5.269
  278   HD11  LEU  32          HD11      LEU  32   7.796   2.312  -8.170
  279   HD12  LEU  32          HD12      LEU  32   6.677   3.420  -7.377
  280   HD13  LEU  32          HD13      LEU  32   6.705   1.717  -6.919
  281   HD21  LEU  32          HD21      LEU  32   9.751   1.353  -6.791
  282   HD22  LEU  32          HD22      LEU  32   8.558   0.807  -5.612
  283   HD23  LEU  32          HD23      LEU  32   9.894   1.835  -5.101
  284    H    SER  33           HN       SER  33   9.770   6.967  -5.839
  285    HA   SER  33           HA       SER  33  11.826   7.601  -7.690
  286    HB2  SER  33           HB2      SER  33  11.116   9.997  -7.161
  287    HB3  SER  33           HB1      SER  33   9.886   8.928  -7.828
  288    HG   SER  33           HG       SER  33  10.145   9.111  -5.039
  289    H    GLU  34           HN       GLU  34  11.649   7.673  -4.192
  290    HA   GLU  34           HA       GLU  34  13.901   9.441  -3.889
  291    HB2  GLU  34           HB2      GLU  34  12.536   7.654  -1.873
  292    HB3  GLU  34           HB1      GLU  34  13.783   8.833  -1.499
  293    HG2  GLU  34           HG2      GLU  34  11.053   9.430  -2.613
  294    HG3  GLU  34           HG1      GLU  34  11.585   9.685  -0.954
  295    H    SER  35           HN       SER  35  13.334   5.989  -3.918
  296    HA   SER  35           HA       SER  35  15.841   5.268  -2.795
  297    HB2  SER  35           HB2      SER  35  15.185   2.959  -3.613
  298    HB3  SER  35           HB1      SER  35  14.033   3.739  -2.528
  299    HG   SER  35           HG       SER  35  12.615   3.819  -4.083
  300    H    GLN  36           HN       GLN  36  15.117   6.483  -5.846
  301    HA   GLN  36           HA       GLN  36  17.221   4.886  -7.126
  302    HB2  GLN  36           HB2      GLN  36  15.100   6.617  -8.414
  303    HB3  GLN  36           HB1      GLN  36  16.319   5.685  -9.270
  304    HG2  GLN  36           HG2      GLN  36  14.028   4.631  -7.633
  305    HG3  GLN  36           HG1      GLN  36  14.243   4.520  -9.377
  306   HE21  GLN  36          HE21      GLN  36  15.014   3.183  -6.314
  307   HE22  GLN  36          HE22      GLN  36  15.887   1.808  -6.894
  308    H    LEU  37           HN       LEU  37  16.889   7.616  -5.442
  309    HA   LEU  37           HA       LEU  37  18.195   9.525  -7.137
  310    HB2  LEU  37           HB2      LEU  37  17.729   9.518  -4.156
  311    HB3  LEU  37           HB1      LEU  37  18.361  10.876  -5.065
  312    HG   LEU  37           HG       LEU  37  15.623   9.680  -5.478
  313   HD11  LEU  37          HD11      LEU  37  15.826  10.688  -3.265
  314   HD12  LEU  37          HD12      LEU  37  14.789  11.652  -4.314
  315   HD13  LEU  37          HD13      LEU  37  16.443  12.170  -3.994
  316   HD21  LEU  37          HD21      LEU  37  16.434  10.775  -7.463
  317   HD22  LEU  37          HD22      LEU  37  16.934  12.181  -6.526
  318   HD23  LEU  37          HD23      LEU  37  15.221  11.796  -6.695
  319    H    LYS  38           HN       LYS  38  20.282  10.003  -7.274
  320    HA   LYS  38           HA       LYS  38  22.176   8.016  -6.616
  321    HB2  LYS  38           HB2      LYS  38  22.705  10.868  -7.471
  322    HB3  LYS  38           HB1      LYS  38  23.804   9.505  -7.627
  323    HG2  LYS  38           HG2      LYS  38  22.349   8.462  -9.250
  324    HG3  LYS  38           HG1      LYS  38  21.151   9.741  -9.039
  325    HD2  LYS  38           HD2      LYS  38  22.809  11.384  -9.845
  326    HD3  LYS  38           HD1      LYS  38  23.951  10.067 -10.119
  327    HE2  LYS  38           HE2      LYS  38  22.863  10.679 -12.197
  328    HE3  LYS  38           HE1      LYS  38  22.380   9.056 -11.714
  329    HZ1  LYS  38           HZ1      LYS  38  20.295   9.906 -10.930
  330    HZ2  LYS  38           HZ2      LYS  38  20.524  10.436 -12.520
  331    HZ3  LYS  38           HZ3      LYS  38  20.767  11.502 -11.228
  332    H    GLU  39           HN       GLU  39  21.270  11.057  -5.140
  333    HA   GLU  39           HA       GLU  39  23.463  11.112  -3.294
  334    HB2  GLU  39           HB2      GLU  39  20.829  12.597  -3.197
  335    HB3  GLU  39           HB1      GLU  39  22.248  12.949  -2.220
  336    HG2  GLU  39           HG2      GLU  39  22.037  13.190  -5.208
  337    HG3  GLU  39           HG1      GLU  39  22.067  14.515  -4.046
  338    H    ALA  40           HN       ALA  40  20.440   9.526  -3.439
  339    HA   ALA  40           HA       ALA  40  20.257   9.185  -0.561
  340    HB1  ALA  40           HB1      ALA  40  18.238   9.724  -1.874
  341    HB2  ALA  40           HB2      ALA  40  18.095   8.220  -0.967
  342    HB3  ALA  40           HB3      ALA  40  18.402   8.177  -2.702
  343    H    LEU  41           HN       LEU  41  21.897   7.764  -2.982
  344    HA   LEU  41           HA       LEU  41  21.503   5.007  -2.194
  345    HB2  LEU  41           HB2      LEU  41  23.492   6.254  -4.091
  346    HB3  LEU  41           HB1      LEU  41  23.283   4.531  -3.847
  347    HG   LEU  41           HG       LEU  41  21.221   6.418  -4.983
  348   HD11  LEU  41          HD11      LEU  41  23.067   5.995  -6.509
  349   HD12  LEU  41          HD12      LEU  41  21.594   5.202  -7.064
  350   HD13  LEU  41          HD13      LEU  41  22.865   4.257  -6.289
  351   HD21  LEU  41          HD21      LEU  41  20.184   4.615  -3.711
  352   HD22  LEU  41          HD22      LEU  41  21.134   3.428  -4.602
  353   HD23  LEU  41          HD23      LEU  41  19.925   4.397  -5.441
  354    H    GLU  42           HN       GLU  42  22.955   7.462  -0.731
  355    HA   GLU  42           HA       GLU  42  25.491   6.398  -0.039
  356    HB2  GLU  42           HB2      GLU  42  23.762   8.446   1.365
  357    HB3  GLU  42           HB1      GLU  42  25.408   8.053   1.835
  358    HG2  GLU  42           HG2      GLU  42  24.549   9.222  -0.801
  359    HG3  GLU  42           HG1      GLU  42  25.353  10.075   0.519
  360    HA   PRO  43           HA       PRO  43  24.610   3.047   2.534
  361    HB2  PRO  43           HB2      PRO  43  26.282   3.568   4.723
  362    HB3  PRO  43           HB1      PRO  43  26.725   2.695   3.255
  363    HG2  PRO  43           HG2      PRO  43  27.192   5.546   3.978
  364    HG3  PRO  43           HG1      PRO  43  28.229   4.429   3.073
  365    HD2  PRO  43           HD2      PRO  43  26.844   6.335   1.825
  366    HD3  PRO  43           HD1      PRO  43  27.033   4.721   1.103
  367    H    ASN  44           HN       ASN  44  24.880   6.025   4.494
  368    HA   ASN  44           HA       ASN  44  23.344   4.958   6.634
  369    HB2  ASN  44           HB2      ASN  44  24.035   7.833   5.977
  370    HB3  ASN  44           HB1      ASN  44  23.274   7.305   7.472
  371   HD21  ASN  44          HD21      ASN  44  24.978   8.084   8.717
  372   HD22  ASN  44          HD22      ASN  44  26.521   7.306   8.761
  373    H    LYS  45           HN       LYS  45  22.545   7.091   3.904
  374    HA   LYS  45           HA       LYS  45  19.934   7.691   4.661
  375    HB2  LYS  45           HB2      LYS  45  21.261   8.818   2.865
  376    HB3  LYS  45           HB1      LYS  45  21.013   7.406   1.849
  377    HG2  LYS  45           HG2      LYS  45  19.474   9.167   1.235
  378    HG3  LYS  45           HG1      LYS  45  18.588   7.800   1.911
  379    HD2  LYS  45           HD2      LYS  45  18.211   8.931   3.949
  380    HD3  LYS  45           HD1      LYS  45  19.407  10.173   3.568
  381    HE2  LYS  45           HE2      LYS  45  17.124  11.010   3.302
  382    HE3  LYS  45           HE1      LYS  45  17.996  11.007   1.774
  383    HZ1  LYS  45           HZ1      LYS  45  16.851   8.995   1.143
  384    HZ2  LYS  45           HZ2      LYS  45  15.726  10.188   1.543
  385    HZ3  LYS  45           HZ3      LYS  45  16.048   8.936   2.630
  386    H    ARG  46           HN       ARG  46  21.288   4.879   3.075
  387    HA   ARG  46           HA       ARG  46  18.981   3.710   2.037
  388    HB2  ARG  46           HB2      ARG  46  21.333   2.290   3.300
  389    HB3  ARG  46           HB1      ARG  46  20.164   1.572   2.204
  390    HG2  ARG  46           HG2      ARG  46  20.918   3.029   0.413
  391    HG3  ARG  46           HG1      ARG  46  22.062   3.805   1.513
  392    HD2  ARG  46           HD2      ARG  46  23.086   1.540   1.877
  393    HD3  ARG  46           HD1      ARG  46  22.065   0.947   0.570
  394    HE   ARG  46           HE       ARG  46  23.506   3.199  -0.317
  395   HH11  ARG  46          HH11      ARG  46  23.967  -0.174   0.504
  396   HH12  ARG  46          HH12      ARG  46  25.385  -0.354  -0.477
  397   HH21  ARG  46          HH21      ARG  46  25.353   2.979  -1.614
  398   HH22  ARG  46          HH22      ARG  46  26.174   1.451  -1.705
  399    H    GLN  47           HN       GLN  47  20.332   3.551   5.308
  400    HA   GLN  47           HA       GLN  47  18.454   1.727   6.360
  401    HB2  GLN  47           HB2      GLN  47  20.336   3.714   7.565
  402    HB3  GLN  47           HB1      GLN  47  19.112   2.970   8.583
  403    HG2  GLN  47           HG2      GLN  47  21.235   1.797   8.730
  404    HG3  GLN  47           HG1      GLN  47  19.979   0.764   8.052
  405   HE21  GLN  47          HE21      GLN  47  22.921   2.467   7.454
  406   HE22  GLN  47          HE22      GLN  47  23.266   1.762   5.914
  407    H    HIS  48           HN       HIS  48  18.447   5.211   5.997
  408    HA   HIS  48           HA       HIS  48  16.138   5.666   7.598
  409    HB2  HIS  48           HB2      HIS  48  17.925   7.388   6.845
  410    HB3  HIS  48           HB1      HIS  48  17.016   7.471   5.340
  411    HD1  HIS  48           HD1      HIS  48  17.034   8.672   8.818
  412    HD2  HIS  48           HD2      HIS  48  14.351   8.540   5.647
  413    HE1  HIS  48           HE1      HIS  48  15.199  10.289   9.410
  414    HE2  HIS  48           HE2      HIS  48  13.573  10.173   7.487
  415    H    ILE  49           HN       ILE  49  16.691   5.086   4.155
  416    HA   ILE  49           HA       ILE  49  13.989   5.483   3.355
  417    HB   ILE  49           HB       ILE  49  16.175   3.879   2.009
  418   HG12  ILE  49          HG12      ILE  49  15.195   6.703   1.535
  419   HG13  ILE  49          HG11      ILE  49  16.727   6.258   2.279
  420   HG21  ILE  49          HG21      ILE  49  13.554   4.878   0.897
  421   HG22  ILE  49          HG22      ILE  49  13.949   3.199   1.264
  422   HG23  ILE  49          HG23      ILE  49  14.820   4.051  -0.010
  423   HD11  ILE  49          HD11      ILE  49  17.432   5.217   0.183
  424   HD12  ILE  49          HD12      ILE  49  17.037   6.923  -0.027
  425   HD13  ILE  49          HD13      ILE  49  15.899   5.683  -0.555
  426    H    TYR  50           HN       TYR  50  15.909   2.586   4.124
  427    HA   TYR  50           HA       TYR  50  13.996   0.640   3.822
  428    HB2  TYR  50           HB2      TYR  50  16.358   0.203   4.380
  429    HB3  TYR  50           HB1      TYR  50  16.088   0.814   6.008
  430    HD1  TYR  50           HD1      TYR  50  15.836  -0.777   7.660
  431    HD2  TYR  50           HD2      TYR  50  14.598  -1.747   3.707
  432    HE1  TYR  50           HE1      TYR  50  15.213  -3.035   8.413
  433    HE2  TYR  50           HE2      TYR  50  13.977  -4.004   4.451
  434    HH   TYR  50           HH       TYR  50  13.816  -4.863   7.778
  435    H    GLN  51           HN       GLN  51  14.463   2.810   6.579
  436    HA   GLN  51           HA       GLN  51  12.489   1.669   8.256
  437    HB2  GLN  51           HB2      GLN  51  14.240   3.284   9.024
  438    HB3  GLN  51           HB1      GLN  51  13.396   4.558   8.153
  439    HG2  GLN  51           HG2      GLN  51  12.839   4.669  10.490
  440    HG3  GLN  51           HG1      GLN  51  11.418   4.194   9.561
  441   HE21  GLN  51          HE21      GLN  51  10.425   3.263  11.330
  442   HE22  GLN  51          HE22      GLN  51  10.960   1.764  12.015
  443    H    ARG  52           HN       ARG  52  12.377   4.297   5.882
  444    HA   ARG  52           HA       ARG  52   9.674   4.984   6.311
  445    HB2  ARG  52           HB2      ARG  52  11.432   5.383   3.888
  446    HB3  ARG  52           HB1      ARG  52   9.844   6.108   4.089
  447    HG2  ARG  52           HG2      ARG  52  12.273   6.604   5.797
  448    HG3  ARG  52           HG1      ARG  52  11.562   7.713   4.625
  449    HD2  ARG  52           HD2      ARG  52  10.330   6.735   7.198
  450    HD3  ARG  52           HD1      ARG  52  10.880   8.370   6.838
  451    HE   ARG  52           HE       ARG  52   9.024   7.997   4.941
  452   HH11  ARG  52          HH11      ARG  52   8.963   7.443   8.397
  453   HH12  ARG  52          HH12      ARG  52   7.251   7.688   8.533
  454   HH21  ARG  52          HH21      ARG  52   6.777   8.305   5.103
  455   HH22  ARG  52          HH22      ARG  52   6.002   8.178   6.651
  456    H    CYS  53           HN       CYS  53  11.236   2.600   4.312
  457    HA   CYS  53           HA       CYS  53   8.977   1.969   2.701
  458    HB2  CYS  53           HB2      CYS  53  11.359   1.365   2.137
  459    HB3  CYS  53           HB1      CYS  53  11.284   0.131   3.398
  460    HG   CYS  53           HG       CYS  53   9.024  -1.123   2.081
  461    H    ILE  54           HN       ILE  54  10.324   0.618   5.680
  462    HA   ILE  54           HA       ILE  54   8.457  -1.391   6.150
  463    HB   ILE  54           HB       ILE  54   9.958   0.335   8.115
  464   HG12  ILE  54          HG12      ILE  54  10.405  -2.501   7.143
  465   HG13  ILE  54          HG11      ILE  54  11.362  -1.092   6.685
  466   HG21  ILE  54          HG21      ILE  54   9.413  -1.332   9.818
  467   HG22  ILE  54          HG22      ILE  54   8.384  -2.177   8.661
  468   HG23  ILE  54          HG23      ILE  54   7.962  -0.549   9.192
  469   HD11  ILE  54          HD11      ILE  54  12.497  -2.446   8.352
  470   HD12  ILE  54          HD12      ILE  54  11.138  -2.244   9.456
  471   HD13  ILE  54          HD13      ILE  54  12.110  -0.850   8.992
  472    H    GLN  55           HN       GLN  55   8.328   2.054   6.915
  473    HA   GLN  55           HA       GLN  55   5.988   2.037   8.454
  474    HB2  GLN  55           HB2      GLN  55   7.479   3.969   8.340
  475    HB3  GLN  55           HB1      GLN  55   7.090   4.195   6.641
  476    HG2  GLN  55           HG2      GLN  55   5.907   5.803   7.989
  477    HG3  GLN  55           HG1      GLN  55   4.767   4.682   7.243
  478   HE21  GLN  55          HE21      GLN  55   3.184   5.062   8.761
  479   HE22  GLN  55          HE22      GLN  55   3.292   4.483  10.384
  480    H    LEU  56           HN       LEU  56   6.372   2.743   4.980
  481    HA   LEU  56           HA       LEU  56   3.689   2.905   4.334
  482    HB2  LEU  56           HB2      LEU  56   5.838   1.765   2.545
  483    HB3  LEU  56           HB1      LEU  56   4.335   2.503   2.034
  484    HG   LEU  56           HG       LEU  56   6.656   3.910   3.359
  485   HD11  LEU  56          HD11      LEU  56   7.098   3.320   1.056
  486   HD12  LEU  56          HD12      LEU  56   6.844   5.061   1.203
  487   HD13  LEU  56          HD13      LEU  56   5.565   4.034   0.556
  488   HD21  LEU  56          HD21      LEU  56   4.009   4.997   2.410
  489   HD22  LEU  56          HD22      LEU  56   5.389   5.972   2.912
  490   HD23  LEU  56          HD23      LEU  56   4.581   4.925   4.077
  491    H    LYS  57           HN       LYS  57   5.752   0.048   4.524
  492    HA   LYS  57           HA       LYS  57   3.964  -1.784   3.372
  493    HB2  LYS  57           HB2      LYS  57   6.345  -2.275   3.739
  494    HB3  LYS  57           HB1      LYS  57   6.085  -2.261   5.477
  495    HG2  LYS  57           HG2      LYS  57   4.624  -4.202   5.291
  496    HG3  LYS  57           HG1      LYS  57   4.837  -4.203   3.540
  497    HD2  LYS  57           HD2      LYS  57   6.276  -5.872   4.541
  498    HD3  LYS  57           HD1      LYS  57   7.255  -4.573   3.861
  499    HE2  LYS  57           HE2      LYS  57   7.553  -3.608   6.070
  500    HE3  LYS  57           HE1      LYS  57   6.505  -4.841   6.771
  501    HZ1  LYS  57           HZ1      LYS  57   8.093  -6.527   6.153
  502    HZ2  LYS  57           HZ2      LYS  57   8.872  -5.339   7.066
  503    HZ3  LYS  57           HZ3      LYS  57   9.080  -5.387   5.390
  504    H    GLN  58           HN       GLN  58   4.495  -0.869   6.745
  505    HA   GLN  58           HA       GLN  58   2.538  -2.549   7.870
  506    HB2  GLN  58           HB2      GLN  58   3.647   0.080   8.862
  507    HB3  GLN  58           HB1      GLN  58   2.636  -0.994   9.818
  508    HG2  GLN  58           HG2      GLN  58   4.304  -2.711   9.771
  509    HG3  GLN  58           HG1      GLN  58   5.289  -1.782   8.640
  510   HE21  GLN  58          HE21      GLN  58   5.971  -2.807  11.274
  511   HE22  GLN  58          HE22      GLN  58   6.419  -1.435  12.228
  512    H    ALA  59           HN       ALA  59   2.353   0.694   6.516
  513    HA   ALA  59           HA       ALA  59  -0.268   1.287   7.373
  514    HB1  ALA  59           HB1      ALA  59   1.286   3.005   6.630
  515    HB2  ALA  59           HB2      ALA  59  -0.200   3.053   5.681
  516    HB3  ALA  59           HB3      ALA  59   1.260   2.340   4.997
  517    H    ILE  60           HN       ILE  60   1.009  -0.241   4.447
  518    HA   ILE  60           HA       ILE  60  -1.469  -0.413   3.084
  519    HB   ILE  60           HB       ILE  60   0.995  -2.147   2.798
  520   HG12  ILE  60          HG12      ILE  60   0.064   0.241   1.183
  521   HG13  ILE  60          HG11      ILE  60   1.359   0.272   2.378
  522   HG21  ILE  60          HG21      ILE  60  -0.979  -3.255   1.902
  523   HG22  ILE  60          HG22      ILE  60   0.087  -2.735   0.596
  524   HG23  ILE  60          HG23      ILE  60  -1.373  -1.818   0.960
  525   HD11  ILE  60          HD11      ILE  60   2.621  -1.334   1.016
  526   HD12  ILE  60          HD12      ILE  60   2.269   0.160   0.148
  527   HD13  ILE  60          HD13      ILE  60   1.334  -1.297  -0.188
  528    H    ASP  61           HN       ASP  61   0.293  -2.654   5.180
  529    HA   ASP  61           HA       ASP  61  -1.483  -4.828   5.039
  530    HB2  ASP  61           HB2      ASP  61   0.791  -4.966   6.033
  531    HB3  ASP  61           HB1      ASP  61   0.248  -3.973   7.383
  532    H    GLU  62           HN       GLU  62  -1.447  -1.950   7.022
  533    HA   GLU  62           HA       GLU  62  -3.528  -2.562   8.785
  534    HB2  GLU  62           HB2      GLU  62  -2.095  -0.662   9.164
  535    HB3  GLU  62           HB1      GLU  62  -2.601   0.081   7.654
  536    HG2  GLU  62           HG2      GLU  62  -4.848   0.379   8.547
  537    HG3  GLU  62           HG1      GLU  62  -4.349  -0.381  10.056
  538    H    ASN  63           HN       ASN  63  -3.618  -0.917   5.634
  539    HA   ASN  63           HA       ASN  63  -6.419  -0.545   5.568
  540    HB2  ASN  63           HB2      ASN  63  -4.283  -0.561   3.452
  541    HB3  ASN  63           HB1      ASN  63  -5.982  -0.432   3.012
  542   HD21  ASN  63          HD21      ASN  63  -5.566   1.641   2.151
  543   HD22  ASN  63          HD22      ASN  63  -5.375   3.014   3.193
  544    H    LYS  64           HN       LYS  64  -4.314  -3.089   4.309
  545    HA   LYS  64           HA       LYS  64  -6.272  -4.614   3.012
  546    HB2  LYS  64           HB2      LYS  64  -3.888  -5.020   2.699
  547    HB3  LYS  64           HB1      LYS  64  -3.726  -5.507   4.380
  548    HG2  LYS  64           HG2      LYS  64  -5.289  -7.392   3.910
  549    HG3  LYS  64           HG1      LYS  64  -5.228  -6.939   2.205
  550    HD2  LYS  64           HD2      LYS  64  -2.830  -7.304   2.171
  551    HD3  LYS  64           HD1      LYS  64  -2.845  -7.689   3.889
  552    HE2  LYS  64           HE2      LYS  64  -4.326  -9.605   3.418
  553    HE3  LYS  64           HE1      LYS  64  -4.224  -9.236   1.696
  554    HZ1  LYS  64           HZ1      LYS  64  -1.819  -9.591   1.830
  555    HZ2  LYS  64           HZ2      LYS  64  -2.684 -10.973   2.273
  556    HZ3  LYS  64           HZ3      LYS  64  -1.967 -10.009   3.463
  557    H    ASN  65           HN       ASN  65  -5.087  -4.731   6.356
  558    HA   ASN  65           HA       ASN  65  -6.654  -6.963   7.120
  559    HB2  ASN  65           HB2      ASN  65  -5.160  -4.853   8.633
  560    HB3  ASN  65           HB1      ASN  65  -6.230  -5.951   9.493
  561   HD21  ASN  65          HD21      ASN  65  -4.376  -6.812   6.645
  562   HD22  ASN  65          HD22      ASN  65  -3.303  -7.905   7.442
  563    H    ALA  66           HN       ALA  66  -7.221  -3.495   7.201
  564    HA   ALA  66           HA       ALA  66  -9.623  -3.536   8.667
  565    HB1  ALA  66           HB1      ALA  66  -8.742  -1.603   6.524
  566    HB2  ALA  66           HB2      ALA  66  -8.371  -1.483   8.242
  567    HB3  ALA  66           HB3      ALA  66 -10.038  -1.331   7.688
  568    H    LEU  67           HN       LEU  67  -9.003  -3.620   5.173
  569    HA   LEU  67           HA       LEU  67 -11.690  -3.774   4.362
  570    HB2  LEU  67           HB2      LEU  67  -9.886  -3.172   2.844
  571    HB3  LEU  67           HB1      LEU  67  -9.177  -4.763   3.009
  572    HG   LEU  67           HG       LEU  67 -11.115  -5.753   1.882
  573   HD11  LEU  67          HD11      LEU  67 -12.853  -4.216   2.520
  574   HD12  LEU  67          HD12      LEU  67 -12.745  -4.270   0.761
  575   HD13  LEU  67          HD13      LEU  67 -12.064  -2.904   1.646
  576   HD21  LEU  67          HD21      LEU  67  -9.851  -3.465   0.383
  577   HD22  LEU  67          HD22      LEU  67 -10.682  -4.837  -0.349
  578   HD23  LEU  67          HD23      LEU  67  -9.191  -5.091   0.558
  579    H    GLN  68           HN       GLN  68  -9.282  -6.289   5.010
  580    HA   GLN  68           HA       GLN  68 -10.860  -8.502   4.332
  581    HB2  GLN  68           HB2      GLN  68  -8.392  -8.510   4.662
  582    HB3  GLN  68           HB1      GLN  68  -8.651  -8.343   6.392
  583    HG2  GLN  68           HG2      GLN  68  -9.762 -10.497   6.454
  584    HG3  GLN  68           HG1      GLN  68  -9.571 -10.660   4.709
  585   HE21  GLN  68          HE21      GLN  68  -8.357 -12.527   4.879
  586   HE22  GLN  68          HE22      GLN  68  -6.728 -12.529   5.460
  587    H    LYS  69           HN       LYS  69 -10.777  -6.518   7.194
  588    HA   LYS  69           HA       LYS  69 -12.127  -8.407   8.884
  589    HB2  LYS  69           HB2      LYS  69 -10.601  -6.610   9.732
  590    HB3  LYS  69           HB1      LYS  69 -11.801  -5.421   9.252
  591    HG2  LYS  69           HG2      LYS  69 -13.378  -6.299  10.846
  592    HG3  LYS  69           HG1      LYS  69 -12.275  -7.609  11.265
  593    HD2  LYS  69           HD2      LYS  69 -12.161  -5.885  12.952
  594    HD3  LYS  69           HD1      LYS  69 -10.642  -5.946  12.060
  595    HE2  LYS  69           HE2      LYS  69 -11.258  -3.651  12.384
  596    HE3  LYS  69           HE1      LYS  69 -11.431  -4.048  10.677
  597    HZ1  LYS  69           HZ1      LYS  69 -13.821  -4.330  11.053
  598    HZ2  LYS  69           HZ2      LYS  69 -13.307  -2.767  11.435
  599    HZ3  LYS  69           HZ3      LYS  69 -13.624  -3.876  12.668
  600    H    LEU  70           HN       LEU  70 -13.083  -6.095   6.535
  601    HA   LEU  70           HA       LEU  70 -15.767  -5.744   7.486
  602    HB2  LEU  70           HB2      LEU  70 -14.534  -5.179   4.787
  603    HB3  LEU  70           HB1      LEU  70 -16.155  -4.711   5.261
  604    HG   LEU  70           HG       LEU  70 -13.615  -3.721   6.559
  605   HD11  LEU  70          HD11      LEU  70 -15.521  -2.354   4.662
  606   HD12  LEU  70          HD12      LEU  70 -13.872  -2.863   4.296
  607   HD13  LEU  70          HD13      LEU  70 -14.159  -1.592   5.485
  608   HD21  LEU  70          HD21      LEU  70 -15.471  -3.790   8.122
  609   HD22  LEU  70          HD22      LEU  70 -16.499  -2.939   6.969
  610   HD23  LEU  70          HD23      LEU  70 -15.105  -2.123   7.676
  611    H    SER  71           HN       SER  71 -16.131  -8.063   7.790
  612    HA   SER  71           HA       SER  71 -16.564  -9.604   5.350
  613    HB2  SER  71           HB2      SER  71 -16.770 -10.440   8.257
  614    HB3  SER  71           HB1      SER  71 -16.853 -11.520   6.864
  615    HG   SER  71           HG       SER  71 -14.671 -10.379   6.410
  616    H    LYS  72           HN       LYS  72 -18.291  -7.454   5.635
  617    HA   LYS  72           HA       LYS  72 -20.766  -8.374   6.775
  618    HB2  LYS  72           HB2      LYS  72 -21.721  -6.293   5.779
  619    HB3  LYS  72           HB1      LYS  72 -20.351  -6.000   6.840
  620    HG2  LYS  72           HG2      LYS  72 -18.901  -5.594   4.965
  621    HG3  LYS  72           HG1      LYS  72 -20.154  -6.104   3.826
  622    HD2  LYS  72           HD2      LYS  72 -21.577  -4.220   4.795
  623    HD3  LYS  72           HD1      LYS  72 -20.093  -3.632   5.549
  624    HE2  LYS  72           HE2      LYS  72 -19.044  -3.408   3.385
  625    HE3  LYS  72           HE1      LYS  72 -20.449  -4.120   2.596
  626    HZ1  LYS  72           HZ1      LYS  72 -20.632  -1.806   2.332
  627    HZ2  LYS  72           HZ2      LYS  72 -20.276  -1.498   3.956
  628    HZ3  LYS  72           HZ3      LYS  72 -21.748  -2.211   3.537
  629    H    ALA  73           HN       ALA  73 -21.205 -10.304   5.693
  630    HA   ALA  73           HA       ALA  73 -21.240 -10.397   2.824
  631    HB1  ALA  73           HB1      ALA  73 -20.589 -12.343   4.153
  632    HB2  ALA  73           HB2      ALA  73 -21.960 -12.699   3.103
  633    HB3  ALA  73           HB3      ALA  73 -22.216 -12.425   4.825
  634    H    ASP  74           HN       ASP  74 -23.605  -9.849   5.345
  635    HA   ASP  74           HA       ASP  74 -25.758 -10.139   3.373
  636    HB2  ASP  74           HB2      ASP  74 -26.008 -11.349   5.536
  637    HB3  ASP  74           HB1      ASP  74 -26.015  -9.796   6.366
  638    H    GLU  75           HN       GLU  75 -24.092  -7.775   5.296
  639    HA   GLU  75           HA       GLU  75 -26.030  -5.712   4.604
  640    HB2  GLU  75           HB2      GLU  75 -23.515  -5.672   6.261
  641    HB3  GLU  75           HB1      GLU  75 -24.379  -4.207   5.832
  642    HG2  GLU  75           HG2      GLU  75 -26.406  -5.194   6.915
  643    HG3  GLU  75           HG1      GLU  75 -25.375  -6.503   7.493
  644    H    SER  76           HN       SER  76 -24.926  -6.889   2.415
  645    HA   SER  76           HA       SER  76 -23.741  -4.663   1.066
  646    HB2  SER  76           HB2      SER  76 -21.754  -5.739   2.162
  647    HB3  SER  76           HB1      SER  76 -22.120  -7.221   1.284
  648    HG   SER  76           HG       SER  76 -21.320  -4.711   0.245
  649    H    ALA  77           HN       ALA  77 -23.553  -5.153  -1.290
  650    HA   ALA  77           HA       ALA  77 -25.350  -7.355  -2.057
  651    HB1  ALA  77           HB1      ALA  77 -26.344  -5.162  -2.454
  652    HB2  ALA  77           HB2      ALA  77 -26.028  -6.002  -3.972
  653    HB3  ALA  77           HB3      ALA  77 -24.956  -4.706  -3.441
  654    HA   PRO  78           HA       PRO  78 -21.326  -8.414  -3.995
  655    HB2  PRO  78           HB2      PRO  78 -22.231 -11.167  -3.646
  656    HB3  PRO  78           HB1      PRO  78 -20.804 -10.379  -2.973
  657    HG2  PRO  78           HG2      PRO  78 -22.911 -11.136  -1.449
  658    HG3  PRO  78           HG1      PRO  78 -21.904  -9.728  -1.063
  659    HD2  PRO  78           HD2      PRO  78 -24.595  -9.822  -2.385
  660    HD3  PRO  78           HD1      PRO  78 -23.992  -8.709  -1.140
  661    H    VAL  79           HN       VAL  79 -23.101  -7.468  -5.689
  662    HA   VAL  79           HA       VAL  79 -24.307  -9.518  -7.315
  663    HB   VAL  79           HB       VAL  79 -24.050  -6.587  -7.965
  664   HG11  VAL  79          HG11      VAL  79 -26.006  -6.978  -9.377
  665   HG12  VAL  79          HG12      VAL  79 -25.977  -8.687  -8.945
  666   HG13  VAL  79          HG13      VAL  79 -24.646  -7.986  -9.867
  667   HG21  VAL  79          HG21      VAL  79 -26.230  -8.019  -6.463
  668   HG22  VAL  79          HG22      VAL  79 -26.312  -6.353  -7.033
  669   HG23  VAL  79          HG23      VAL  79 -25.122  -6.809  -5.813
  670    H    ALA  80           HN       ALA  80 -22.099  -6.868  -8.281
  671    HA   ALA  80           HA       ALA  80 -20.369  -8.729  -9.644
  672    HB1  ALA  80           HB1      ALA  80 -21.973  -6.746 -11.247
  673    HB2  ALA  80           HB2      ALA  80 -22.174  -8.496 -11.261
  674    HB3  ALA  80           HB3      ALA  80 -20.683  -7.776 -11.867
  675    H    ASN  81           HN       ASN  81 -21.211  -5.263  -9.858
  676    HA   ASN  81           HA       ASN  81 -18.611  -4.359 -10.329
  677    HB2  ASN  81           HB2      ASN  81 -20.928  -2.898  -9.040
  678    HB3  ASN  81           HB1      ASN  81 -19.441  -2.121  -9.561
  679   HD21  ASN  81          HD21      ASN  81 -20.498  -0.801 -11.014
  680   HD22  ASN  81          HD22      ASN  81 -21.155  -1.399 -12.499
  681    H    TYR  82           HN       TYR  82 -20.363  -4.760  -7.297
  682    HA   TYR  82           HA       TYR  82 -18.395  -3.592  -5.633
  683    HB2  TYR  82           HB2      TYR  82 -20.845  -4.072  -5.059
  684    HB3  TYR  82           HB1      TYR  82 -20.357  -5.742  -4.789
  685    HD1  TYR  82           HD1      TYR  82 -18.800  -6.283  -2.927
  686    HD2  TYR  82           HD2      TYR  82 -20.387  -2.359  -3.426
  687    HE1  TYR  82           HE1      TYR  82 -18.169  -5.736  -0.616
  688    HE2  TYR  82           HE2      TYR  82 -19.751  -1.810  -1.117
  689    HH   TYR  82           HH       TYR  82 -19.248  -2.866   0.958
  690    H    ASN  83           HN       ASN  83 -18.935  -6.878  -6.796
  691    HA   ASN  83           HA       ASN  83 -16.995  -8.123  -5.131
  692    HB2  ASN  83           HB2      ASN  83 -18.079  -9.031  -7.809
  693    HB3  ASN  83           HB1      ASN  83 -17.149 -10.027  -6.697
  694   HD21  ASN  83          HD21      ASN  83 -19.756 -10.553  -7.719
  695   HD22  ASN  83          HD22      ASN  83 -20.830 -10.622  -6.365
  696    H    GLN  84           HN       GLN  84 -16.961  -6.760  -8.363
  697    HA   GLN  84           HA       GLN  84 -14.436  -7.649  -9.171
  698    HB2  GLN  84           HB2      GLN  84 -16.184  -6.661 -10.656
  699    HB3  GLN  84           HB1      GLN  84 -15.822  -5.084  -9.967
  700    HG2  GLN  84           HG2      GLN  84 -13.496  -5.318 -10.783
  701    HG3  GLN  84           HG1      GLN  84 -13.964  -6.824 -11.569
  702   HE21  GLN  84          HE21      GLN  84 -16.030  -4.012 -11.343
  703   HE22  GLN  84          HE22      GLN  84 -16.008  -3.622 -13.025
  704    H    ARG  85           HN       ARG  85 -15.413  -4.571  -7.665
  705    HA   ARG  85           HA       ARG  85 -12.788  -3.496  -7.719
  706    HB2  ARG  85           HB2      ARG  85 -15.327  -2.690  -6.368
  707    HB3  ARG  85           HB1      ARG  85 -13.814  -1.930  -5.896
  708    HG2  ARG  85           HG2      ARG  85 -13.590  -1.619  -8.522
  709    HG3  ARG  85           HG1      ARG  85 -15.352  -1.691  -8.412
  710    HD2  ARG  85           HD2      ARG  85 -14.382   0.616  -8.229
  711    HD3  ARG  85           HD1      ARG  85 -15.405   0.133  -6.874
  712    HE   ARG  85           HE       ARG  85 -12.482  -0.159  -6.699
  713   HH11  ARG  85          HH11      ARG  85 -15.433   1.368  -5.587
  714   HH12  ARG  85          HH12      ARG  85 -14.740   1.896  -4.092
  715   HH21  ARG  85          HH21      ARG  85 -11.565   0.504  -4.735
  716   HH22  ARG  85          HH22      ARG  85 -12.536   1.407  -3.597
  717    H    LYS  86           HN       LYS  86 -14.579  -5.340  -5.312
  718    HA   LYS  86           HA       LYS  86 -12.880  -4.870  -3.138
  719    HB2  LYS  86           HB2      LYS  86 -15.011  -5.917  -2.782
  720    HB3  LYS  86           HB1      LYS  86 -14.586  -7.266  -3.833
  721    HG2  LYS  86           HG2      LYS  86 -12.865  -7.977  -2.220
  722    HG3  LYS  86           HG1      LYS  86 -13.305  -6.627  -1.167
  723    HD2  LYS  86           HD2      LYS  86 -15.137  -8.898  -1.970
  724    HD3  LYS  86           HD1      LYS  86 -14.302  -8.745  -0.425
  725    HE2  LYS  86           HE2      LYS  86 -15.511  -6.643   0.007
  726    HE3  LYS  86           HE1      LYS  86 -16.378  -6.840  -1.517
  727    HZ1  LYS  86           HZ1      LYS  86 -17.685  -7.608   0.363
  728    HZ2  LYS  86           HZ2      LYS  86 -16.479  -8.717   0.782
  729    HZ3  LYS  86           HZ3      LYS  86 -17.319  -8.893  -0.673
  730    H    GLU  87           HN       GLU  87 -12.710  -7.219  -5.756
  731    HA   GLU  87           HA       GLU  87 -10.396  -8.564  -4.786
  732    HB2  GLU  87           HB2      GLU  87 -12.028  -9.526  -6.406
  733    HB3  GLU  87           HB1      GLU  87 -11.452  -8.389  -7.613
  734    HG2  GLU  87           HG2      GLU  87 -10.451 -10.530  -7.989
  735    HG3  GLU  87           HG1      GLU  87  -9.212  -9.397  -7.451
  736    H    GLU  88           HN       GLU  88 -10.970  -5.859  -6.972
  737    HA   GLU  88           HA       GLU  88  -8.366  -5.687  -8.028
  738    HB2  GLU  88           HB2      GLU  88 -10.516  -3.589  -7.768
  739    HB3  GLU  88           HB1      GLU  88  -9.017  -3.346  -8.652
  740    HG2  GLU  88           HG2      GLU  88 -11.189  -5.334  -9.269
  741    HG3  GLU  88           HG1      GLU  88 -10.762  -3.896 -10.191
  742    H    GLU  89           HN       GLU  89  -9.855  -4.188  -5.183
  743    HA   GLU  89           HA       GLU  89  -7.731  -2.470  -4.522
  744    HB2  GLU  89           HB2      GLU  89  -9.592  -3.911  -2.616
  745    HB3  GLU  89           HB1      GLU  89  -8.590  -2.524  -2.220
  746    HG2  GLU  89           HG2      GLU  89 -10.895  -2.568  -4.153
  747    HG3  GLU  89           HG1      GLU  89 -10.882  -1.846  -2.546
  748    H    HIS  90           HN       HIS  90  -8.357  -5.849  -3.693
  749    HA   HIS  90           HA       HIS  90  -6.046  -6.251  -2.122
  750    HB2  HIS  90           HB2      HIS  90  -7.823  -8.128  -3.661
  751    HB3  HIS  90           HB1      HIS  90  -6.357  -8.714  -2.891
  752    HD1  HIS  90           HD1      HIS  90  -6.486  -9.250  -0.457
  753    HD2  HIS  90           HD2      HIS  90  -9.755  -7.054  -1.774
  754    HE1  HIS  90           HE1      HIS  90  -8.116  -9.258   1.452
  755    HE2  HIS  90           HE2      HIS  90 -10.134  -8.019   0.594
  756    H    THR  91           HN       THR  91  -6.636  -6.453  -5.585
  757    HA   THR  91           HA       THR  91  -4.171  -7.636  -6.294
  758    HB   THR  91           HB       THR  91  -5.880  -5.803  -7.988
  759    HG1  THR  91           HG1      THR  91  -6.555  -8.093  -6.881
  760   HG21  THR  91          HG21      THR  91  -3.706  -6.263  -8.974
  761   HG22  THR  91          HG22      THR  91  -4.968  -7.119  -9.858
  762   HG23  THR  91          HG23      THR  91  -3.938  -7.994  -8.726
  763    H    LEU  92           HN       LEU  92  -5.200  -4.280  -5.893
  764    HA   LEU  92           HA       LEU  92  -2.807  -3.115  -6.910
  765    HB2  LEU  92           HB2      LEU  92  -4.862  -1.844  -6.867
  766    HB3  LEU  92           HB1      LEU  92  -4.989  -2.021  -5.129
  767    HG   LEU  92           HG       LEU  92  -2.901  -0.662  -4.900
  768   HD11  LEU  92          HD11      LEU  92  -1.939  -1.047  -7.088
  769   HD12  LEU  92          HD12      LEU  92  -2.190   0.680  -6.827
  770   HD13  LEU  92          HD13      LEU  92  -3.300  -0.228  -7.854
  771   HD21  LEU  92          HD21      LEU  92  -5.127   0.316  -4.630
  772   HD22  LEU  92          HD22      LEU  92  -5.177   0.668  -6.357
  773   HD23  LEU  92          HD23      LEU  92  -3.988   1.468  -5.329
  774    H    LEU  93           HN       LEU  93  -4.045  -3.668  -3.616
  775    HA   LEU  93           HA       LEU  93  -1.805  -2.530  -2.322
  776    HB2  LEU  93           HB2      LEU  93  -3.824  -4.510  -1.261
  777    HB3  LEU  93           HB1      LEU  93  -2.686  -3.606  -0.284
  778    HG   LEU  93           HG       LEU  93  -4.932  -2.426  -1.920
  779   HD11  LEU  93          HD11      LEU  93  -5.898  -1.867   0.257
  780   HD12  LEU  93          HD12      LEU  93  -4.583  -2.722   1.059
  781   HD13  LEU  93          HD13      LEU  93  -5.724  -3.609   0.050
  782   HD21  LEU  93          HD21      LEU  93  -2.945  -1.100  -0.080
  783   HD22  LEU  93          HD22      LEU  93  -4.340  -0.317  -0.821
  784   HD23  LEU  93          HD23      LEU  93  -3.026  -0.918  -1.831
  785    H    ASP  94           HN       ASP  94  -2.525  -5.778  -3.428
  786    HA   ASP  94           HA       ASP  94  -0.537  -7.119  -1.937
  787    HB2  ASP  94           HB2      ASP  94  -2.346  -8.354  -3.019
  788    HB3  ASP  94           HB1      ASP  94  -1.759  -7.860  -4.606
  789    H    LYS  95           HN       LYS  95  -0.460  -5.753  -5.243
  790    HA   LYS  95           HA       LYS  95   2.172  -6.505  -5.818
  791    HB2  LYS  95           HB2      LYS  95   0.593  -5.677  -7.519
  792    HB3  LYS  95           HB1      LYS  95   0.631  -4.081  -6.780
  793    HG2  LYS  95           HG2      LYS  95   3.058  -3.957  -7.286
  794    HG3  LYS  95           HG1      LYS  95   2.921  -5.496  -8.139
  795    HD2  LYS  95           HD2      LYS  95   1.257  -4.483  -9.649
  796    HD3  LYS  95           HD1      LYS  95   1.468  -2.939  -8.822
  797    HE2  LYS  95           HE2      LYS  95   2.772  -2.986 -10.870
  798    HE3  LYS  95           HE1      LYS  95   3.837  -2.930  -9.466
  799    HZ1  LYS  95           HZ1      LYS  95   4.635  -4.515 -11.084
  800    HZ2  LYS  95           HZ2      LYS  95   3.167  -5.348 -11.051
  801    HZ3  LYS  95           HZ3      LYS  95   4.159  -5.328  -9.682
  802    H    LEU  96           HN       LEU  96   0.857  -3.538  -4.408
  803    HA   LEU  96           HA       LEU  96   3.244  -2.133  -4.137
  804    HB2  LEU  96           HB2      LEU  96   0.875  -2.078  -2.266
  805    HB3  LEU  96           HB1      LEU  96   2.121  -0.851  -2.383
  806    HG   LEU  96           HG       LEU  96   0.162  -1.554  -4.568
  807   HD11  LEU  96          HD11      LEU  96  -0.857   0.590  -4.075
  808   HD12  LEU  96          HD12      LEU  96   0.294   0.859  -2.768
  809   HD13  LEU  96          HD13      LEU  96  -0.887  -0.446  -2.650
  810   HD21  LEU  96          HD21      LEU  96   2.311  -0.767  -5.431
  811   HD22  LEU  96          HD22      LEU  96   2.206   0.655  -4.393
  812   HD23  LEU  96          HD23      LEU  96   1.035   0.422  -5.689
  813    H    THR  97           HN       THR  97   1.656  -4.296  -1.806
  814    HA   THR  97           HA       THR  97   3.551  -4.195   0.220
  815    HB   THR  97           HB       THR  97   1.954  -6.637  -0.582
  816    HG1  THR  97           HG1      THR  97   0.607  -4.781  -0.301
  817   HG21  THR  97          HG21      THR  97   3.036  -5.763   2.100
  818   HG22  THR  97          HG22      THR  97   3.704  -7.052   1.095
  819   HG23  THR  97          HG23      THR  97   2.087  -7.216   1.784
  820    H    GLN  98           HN       GLN  98   3.398  -6.348  -2.606
  821    HA   GLN  98           HA       GLN  98   5.629  -7.921  -1.850
  822    HB2  GLN  98           HB2      GLN  98   3.876  -8.702  -3.400
  823    HB3  GLN  98           HB1      GLN  98   4.405  -7.519  -4.585
  824    HG2  GLN  98           HG2      GLN  98   5.249  -9.718  -5.126
  825    HG3  GLN  98           HG1      GLN  98   6.568  -8.619  -4.736
  826   HE21  GLN  98          HE21      GLN  98   4.487 -10.099  -2.342
  827   HE22  GLN  98          HE22      GLN  98   5.702 -11.112  -1.644
  828    H    GLN  99           HN       GLN  99   5.237  -5.130  -3.973
  829    HA   GLN  99           HA       GLN  99   7.846  -5.093  -5.016
  830    HB2  GLN  99           HB2      GLN  99   5.961  -3.831  -5.984
  831    HB3  GLN  99           HB1      GLN  99   5.954  -2.777  -4.576
  832    HG2  GLN  99           HG2      GLN  99   8.180  -1.986  -5.131
  833    HG3  GLN  99           HG1      GLN  99   8.238  -3.078  -6.514
  834   HE21  GLN  99          HE21      GLN  99   5.368  -1.335  -5.557
  835   HE22  GLN  99          HE22      GLN  99   5.318  -0.281  -6.925
  836    H    LEU 100           HN       LEU 100   6.411  -3.390  -2.248
  837    HA   LEU 100           HA       LEU 100   8.737  -1.963  -1.546
  838    HB2  LEU 100           HB2      LEU 100   6.350  -2.787   0.101
  839    HB3  LEU 100           HB1      LEU 100   7.625  -1.744   0.700
  840    HG   LEU 100           HG       LEU 100   5.750  -1.139  -1.586
  841   HD11  LEU 100          HD11      LEU 100   4.711  -0.983   0.606
  842   HD12  LEU 100          HD12      LEU 100   4.930   0.618  -0.097
  843   HD13  LEU 100          HD13      LEU 100   6.021   0.054   1.167
  844   HD21  LEU 100          HD21      LEU 100   6.813   1.104  -1.536
  845   HD22  LEU 100          HD22      LEU 100   7.897  -0.176  -2.078
  846   HD23  LEU 100          HD23      LEU 100   8.035   0.460  -0.439
  847    H    GLN 101           HN       GLN 101   7.431  -5.055  -0.414
  848    HA   GLN 101           HA       GLN 101   9.374  -5.541   1.550
  849    HB2  GLN 101           HB2      GLN 101   7.245  -6.791   1.360
  850    HB3  GLN 101           HB1      GLN 101   7.837  -7.556  -0.106
  851    HG2  GLN 101           HG2      GLN 101   8.012  -9.027   1.832
  852    HG3  GLN 101           HG1      GLN 101   9.591  -8.665   1.140
  853   HE21  GLN 101          HE21      GLN 101  10.613  -9.208   3.075
  854   HE22  GLN 101          HE22      GLN 101  10.583  -8.158   4.453
  855    H    GLY 102           HN       GLY 102   9.285  -6.311  -1.902
  856    HA2  GLY 102           HA2      GLY 102  11.729  -7.755  -1.962
  857    HA3  GLY 102           HA1      GLY 102  10.939  -7.010  -3.344
  858    H    LEU 103           HN       LEU 103  10.925  -4.362  -2.544
  859    HA   LEU 103           HA       LEU 103  13.545  -3.569  -3.275
  860    HB2  LEU 103           HB2      LEU 103  11.542  -2.287  -3.876
  861    HB3  LEU 103           HB1      LEU 103  11.247  -1.938  -2.183
  862    HG   LEU 103           HG       LEU 103  13.320  -0.611  -2.089
  863   HD11  LEU 103          HD11      LEU 103  14.507  -0.066  -4.165
  864   HD12  LEU 103          HD12      LEU 103  13.508  -1.230  -5.036
  865   HD13  LEU 103          HD13      LEU 103  14.615  -1.783  -3.778
  866   HD21  LEU 103          HD21      LEU 103  11.208   0.482  -2.626
  867   HD22  LEU 103          HD22      LEU 103  11.469   0.163  -4.341
  868   HD23  LEU 103          HD23      LEU 103  12.551   1.250  -3.472
  869    H    ALA 104           HN       ALA 104  11.765  -3.498  -0.215
  870    HA   ALA 104           HA       ALA 104  13.575  -2.095   1.350
  871    HB1  ALA 104           HB1      ALA 104  11.337  -2.666   2.104
  872    HB2  ALA 104           HB2      ALA 104  12.537  -3.227   3.265
  873    HB3  ALA 104           HB3      ALA 104  11.774  -4.374   2.164
  874    H    VAL 105           HN       VAL 105  13.383  -5.588   0.752
  875    HA   VAL 105           HA       VAL 105  15.632  -6.286   2.297
  876    HB   VAL 105           HB       VAL 105  14.375  -7.725  -0.041
  877   HG11  VAL 105          HG11      VAL 105  16.666  -8.478   0.293
  878   HG12  VAL 105          HG12      VAL 105  15.514  -9.721   0.783
  879   HG13  VAL 105          HG13      VAL 105  16.333  -8.748   2.004
  880   HG21  VAL 105          HG21      VAL 105  12.864  -7.417   1.839
  881   HG22  VAL 105          HG22      VAL 105  14.069  -8.101   2.931
  882   HG23  VAL 105          HG23      VAL 105  13.334  -9.111   1.686
  883    H    THR 106           HN       THR 106  15.260  -5.214  -1.014
  884    HA   THR 106           HA       THR 106  17.890  -5.775  -1.883
  885    HB   THR 106           HB       THR 106  16.013  -3.614  -2.865
  886    HG1  THR 106           HG1      THR 106  14.992  -5.568  -3.157
  887   HG21  THR 106          HG21      THR 106  18.385  -4.920  -4.198
  888   HG22  THR 106          HG22      THR 106  18.303  -3.256  -3.620
  889   HG23  THR 106          HG23      THR 106  17.282  -3.775  -4.961
  890    H    ILE 107           HN       ILE 107  16.395  -2.939  -0.372
  891    HA   ILE 107           HA       ILE 107  18.672  -1.253  -0.570
  892    HB   ILE 107           HB       ILE 107  16.378  -1.087   1.392
  893   HG12  ILE 107          HG12      ILE 107  16.731   0.333  -1.260
  894   HG13  ILE 107          HG11      ILE 107  15.695  -1.070  -1.017
  895   HG21  ILE 107          HG21      ILE 107  18.363   1.003   0.508
  896   HG22  ILE 107          HG22      ILE 107  18.297   0.228   2.090
  897   HG23  ILE 107          HG23      ILE 107  16.980   1.279   1.567
  898   HD11  ILE 107          HD11      ILE 107  15.391   1.603   0.328
  899   HD12  ILE 107          HD12      ILE 107  14.350   0.200   0.571
  900   HD13  ILE 107          HD13      ILE 107  14.415   0.989  -1.006
  901    H    SER 108           HN       SER 108  17.457  -3.433   1.923
  902    HA   SER 108           HA       SER 108  19.530  -2.701   3.794
  903    HB2  SER 108           HB2      SER 108  17.316  -3.387   4.615
  904    HB3  SER 108           HB1      SER 108  17.523  -4.974   3.877
  905    HG   SER 108           HG       SER 108  19.599  -4.837   5.294
  906    H    ARG 109           HN       ARG 109  19.425  -4.516   1.056
  907    HA   ARG 109           HA       ARG 109  20.861  -5.906   0.018
  908    HB2  ARG 109           HB2      ARG 109  22.612  -5.236   2.383
  909    HB3  ARG 109           HB1      ARG 109  23.150  -6.208   1.021
  910    HG2  ARG 109           HG2      ARG 109  22.123  -3.393   0.790
  911    HG3  ARG 109           HG1      ARG 109  23.827  -3.831   0.902
  912    HD2  ARG 109           HD2      ARG 109  23.652  -5.122  -1.147
  913    HD3  ARG 109           HD1      ARG 109  21.928  -4.768  -1.244
  914    HE   ARG 109           HE       ARG 109  22.943  -2.315  -1.216
  915   HH11  ARG 109          HH11      ARG 109  23.903  -5.133  -3.055
  916   HH12  ARG 109          HH12      ARG 109  24.476  -4.210  -4.407
  917   HH21  ARG 109          HH21      ARG 109  23.692  -1.101  -2.996
  918   HH22  ARG 109          HH22      ARG 109  24.360  -1.924  -4.370
  919    H    GLU 110           HN       GLU 110  22.569  -7.863   0.896
  920    HA   GLU 110           HA       GLU 110  20.698  -9.866   1.711
  921    HB2  GLU 110           HB2      GLU 110  22.675 -11.390   1.440
  922    HB3  GLU 110           HB1      GLU 110  22.268 -10.454   0.009
  923    HG2  GLU 110           HG2      GLU 110  24.059  -8.846   0.623
  924    HG3  GLU 110           HG1      GLU 110  24.511  -9.923   1.944
  925    H    ASN 111           HN       ASN 111  20.865  -8.078   3.732
  926    HA   ASN 111           HA       ASN 111  22.656  -9.058   5.783
  927    HB2  ASN 111           HB2      ASN 111  21.943  -6.633   5.608
  928    HB3  ASN 111           HB1      ASN 111  20.332  -7.138   6.105
  929   HD21  ASN 111          HD21      ASN 111  20.351  -5.968   8.001
  930   HD22  ASN 111          HD22      ASN 111  21.360  -6.377   9.345
  931    H    ILE 112           HN       ILE 112  21.742 -11.254   5.388
  932    HA   ILE 112           HA       ILE 112  19.137 -11.973   6.147
  933    HB   ILE 112           HB       ILE 112  21.657 -13.634   6.299
  934   HG12  ILE 112          HG12      ILE 112  19.577 -13.479   4.110
  935   HG13  ILE 112          HG11      ILE 112  21.140 -12.687   4.046
  936   HG21  ILE 112          HG21      ILE 112  20.149 -15.564   6.174
  937   HG22  ILE 112          HG22      ILE 112  18.766 -14.474   6.266
  938   HG23  ILE 112          HG23      ILE 112  19.879 -14.603   7.627
  939   HD11  ILE 112          HD11      ILE 112  20.675 -15.652   4.209
  940   HD12  ILE 112          HD12      ILE 112  22.246 -14.855   4.128
  941   HD13  ILE 112          HD13      ILE 112  21.131 -14.747   2.767
  942    H    THR 113           HN       THR 113  22.123 -11.616   7.957
  943    HA   THR 113           HA       THR 113  20.928 -12.306  10.477
  944    HB   THR 113           HB       THR 113  23.509 -10.796  10.024
  945    HG1  THR 113           HG1      THR 113  22.851 -13.346   9.347
  946   HG21  THR 113          HG21      THR 113  24.169 -11.769  12.150
  947   HG22  THR 113          HG22      THR 113  22.633 -12.630  12.258
  948   HG23  THR 113          HG23      THR 113  22.665 -10.869  12.340
  949    H    GLU 114           HN       GLU 114  19.136 -10.678   9.700
  950    HA   GLU 114           HA       GLU 114  19.752  -7.939  10.477
  951    HB2  GLU 114           HB2      GLU 114  17.484  -7.425   9.697
  952    HB3  GLU 114           HB1      GLU 114  18.411  -8.260   8.467
  953    HG2  GLU 114           HG2      GLU 114  17.258 -10.311   8.895
  954    HG3  GLU 114           HG1      GLU 114  16.442  -9.612  10.290
  955    H    VAL 115           HN       VAL 115  18.688 -10.769  11.885
  956    HA   VAL 115           HA       VAL 115  16.768  -9.616  13.699
  957    HB   VAL 115           HB       VAL 115  18.009 -12.363  13.818
  958   HG11  VAL 115          HG11      VAL 115  15.961 -12.943  15.059
  959   HG12  VAL 115          HG12      VAL 115  15.464 -11.251  14.996
  960   HG13  VAL 115          HG13      VAL 115  16.917 -11.710  15.883
  961   HG21  VAL 115          HG21      VAL 115  15.499 -11.461  12.411
  962   HG22  VAL 115          HG22      VAL 115  16.000 -13.137  12.629
  963   HG23  VAL 115          HG23      VAL 115  16.976 -12.047  11.645
  964    H    GLY 116           HN       GLY 116  18.030  -8.017  14.734
  965    HA2  GLY 116           HA2      GLY 116  20.256  -8.876  16.401
  966    HA3  GLY 116           HA1      GLY 116  19.622  -7.241  16.262
  967    H    ALA 117           HN       ALA 117  18.805 -10.451  17.537
  968    HA   ALA 117           HA       ALA 117  17.291  -9.107  19.679
  969    HB1  ALA 117           HB1      ALA 117  15.784 -11.021  19.729
  970    HB2  ALA 117           HB2      ALA 117  16.689 -11.779  18.419
  971    HB3  ALA 117           HB3      ALA 117  15.803 -10.283  18.127
  972    HA   PRO 118           HA       PRO 118  20.435 -11.430  21.983
  973    HB2  PRO 118           HB2      PRO 118  20.437  -9.879  24.167
  974    HB3  PRO 118           HB1      PRO 118  21.213  -9.352  22.668
  975    HG2  PRO 118           HG2      PRO 118  18.534  -8.604  23.778
  976    HG3  PRO 118           HG1      PRO 118  19.758  -7.567  23.024
  977    HD2  PRO 118           HD2      PRO 118  17.552  -8.537  21.715
  978    HD3  PRO 118           HD1      PRO 118  19.068  -8.092  20.906
  979    H    THR 119           HN       THR 119  17.398 -11.841  21.938
  980    HA   THR 119           HA       THR 119  16.891 -12.621  24.694
  981    HB   THR 119           HB       THR 119  14.613 -13.295  23.620
  982    HG1  THR 119           HG1      THR 119  14.912 -13.083  21.474
  983   HG21  THR 119          HG21      THR 119  13.803 -10.998  23.868
  984   HG22  THR 119          HG22      THR 119  15.463 -10.404  23.820
  985   HG23  THR 119          HG23      THR 119  14.927 -11.420  25.159
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1 -30.970  19.363   5.280
    2    H2   GLY   1           HT2      GLY   1 -31.290  17.708   5.174
    3    H3   GLY   1           HT3      GLY   1 -29.810  18.318   4.636
    4    HA2  GLY   1           HA1      GLY   1 -30.769  18.302   7.442
    5    HA3  GLY   1           HA2      GLY   1 -29.544  17.235   6.773
    6    HA   PRO   2           HA       PRO   2 -27.302  20.722   8.785
    7    HB2  PRO   2           HB2      PRO   2 -25.180  18.662   8.856
    8    HB3  PRO   2           HB1      PRO   2 -25.800  19.682  10.157
    9    HG2  PRO   2           HG2      PRO   2 -26.382  17.081  10.056
   10    HG3  PRO   2           HG1      PRO   2 -27.584  18.270  10.594
   11    HD2  PRO   2           HD2      PRO   2 -27.327  16.896   7.945
   12    HD3  PRO   2           HD1      PRO   2 -28.787  17.244   8.894
   13    H    MET   3           HN       MET   3 -26.430  22.184   7.518
   14    HA   MET   3           HA       MET   3 -25.234  23.233   5.896
   15    HB2  MET   3           HB2      MET   3 -23.524  20.746   6.086
   16    HB3  MET   3           HB1      MET   3 -23.083  22.187   5.185
   17    HG2  MET   3           HG2      MET   3 -23.134  23.490   7.255
   18    HG3  MET   3           HG1      MET   3 -23.552  22.033   8.152
   19    HE1  MET   3           HE1      MET   3 -21.962  19.953   8.413
   20    HE2  MET   3           HE2      MET   3 -20.326  19.862   7.762
   21    HE3  MET   3           HE3      MET   3 -21.711  19.830   6.671
   22    H    ALA   4           HN       ALA   4 -23.852  22.120   3.640
   23    HA   ALA   4           HA       ALA   4 -26.176  21.481   2.016
   24    HB1  ALA   4           HB1      ALA   4 -23.340  22.084   1.192
   25    HB2  ALA   4           HB2      ALA   4 -24.662  23.247   1.264
   26    HB3  ALA   4           HB3      ALA   4 -24.720  21.916   0.110
   27    H    MET   5           HN       MET   5 -22.857  20.225   2.312
   28    HA   MET   5           HA       MET   5 -23.924  17.554   1.701
   29    HB2  MET   5           HB2      MET   5 -22.812  18.434  -0.296
   30    HB3  MET   5           HB1      MET   5 -21.361  18.759   0.641
   31    HG2  MET   5           HG2      MET   5 -21.136  16.738  -0.701
   32    HG3  MET   5           HG1      MET   5 -21.033  16.391   1.023
   33    HE1  MET   5           HE1      MET   5 -24.713  15.459  -1.605
   34    HE2  MET   5           HE2      MET   5 -23.224  16.188  -2.205
   35    HE3  MET   5           HE3      MET   5 -24.284  17.102  -1.132
   36    H    LEU   6           HN       LEU   6 -23.912  17.007   3.881
   37    HA   LEU   6           HA       LEU   6 -21.266  16.845   5.145
   38    HB2  LEU   6           HB2      LEU   6 -22.941  17.913   6.537
   39    HB3  LEU   6           HB1      LEU   6 -24.039  16.564   6.313
   40    HG   LEU   6           HG       LEU   6 -22.474  15.100   7.547
   41   HD11  LEU   6          HD11      LEU   6 -20.940  17.645   8.051
   42   HD12  LEU   6          HD12      LEU   6 -20.401  16.289   7.064
   43   HD13  LEU   6          HD13      LEU   6 -20.629  16.079   8.798
   44   HD21  LEU   6          HD21      LEU   6 -22.904  16.041   9.760
   45   HD22  LEU   6          HD22      LEU   6 -24.315  16.183   8.712
   46   HD23  LEU   6          HD23      LEU   6 -23.303  17.593   9.023
   47    H    ALA   7           HN       ALA   7 -20.243  14.976   5.114
   48    HA   ALA   7           HA       ALA   7 -21.476  12.565   4.198
   49    HB1  ALA   7           HB1      ALA   7 -19.144  13.107   3.677
   50    HB2  ALA   7           HB2      ALA   7 -19.289  11.558   4.507
   51    HB3  ALA   7           HB3      ALA   7 -18.739  12.983   5.388
   52    H    ARG   8           HN       ARG   8 -23.127  12.745   5.950
   53    HA   ARG   8           HA       ARG   8 -22.304  11.962   8.614
   54    HB2  ARG   8           HB2      ARG   8 -24.760  12.055   9.093
   55    HB3  ARG   8           HB1      ARG   8 -24.093  13.557   8.465
   56    HG2  ARG   8           HG2      ARG   8 -24.924  12.917   6.215
   57    HG3  ARG   8           HG1      ARG   8 -25.706  11.519   6.950
   58    HD2  ARG   8           HD2      ARG   8 -26.230  14.377   7.741
   59    HD3  ARG   8           HD1      ARG   8 -27.210  13.470   6.594
   60    HE   ARG   8           HE       ARG   8 -26.984  12.081   9.061
   61   HH11  ARG   8          HH11      ARG   8 -28.611  14.767   7.514
   62   HH12  ARG   8          HH12      ARG   8 -29.994  14.699   8.561
   63   HH21  ARG   8          HH21      ARG   8 -28.804  11.974  10.431
   64   HH22  ARG   8          HH22      ARG   8 -30.104  13.107  10.227
   65    H    ARG   9           HN       ARG   9 -23.354  10.444   5.720
   66    HA   ARG   9           HA       ARG   9 -23.627   7.898   7.172
   67    HB2  ARG   9           HB2      ARG   9 -24.946   8.709   4.576
   68    HB3  ARG   9           HB1      ARG   9 -25.027   7.104   5.282
   69    HG2  ARG   9           HG2      ARG   9 -26.133   8.102   7.270
   70    HG3  ARG   9           HG1      ARG   9 -26.172   9.644   6.413
   71    HD2  ARG   9           HD2      ARG   9 -28.296   8.564   6.134
   72    HD3  ARG   9           HD1      ARG   9 -27.443   8.527   4.592
   73    HE   ARG   9           HE       ARG   9 -27.359   6.195   6.380
   74   HH11  ARG   9          HH11      ARG   9 -28.255   7.626   3.307
   75   HH12  ARG   9          HH12      ARG   9 -28.652   6.104   2.578
   76   HH21  ARG   9          HH21      ARG   9 -27.883   4.203   5.418
   77   HH22  ARG   9          HH22      ARG   9 -28.446   4.160   3.776
   78    H    GLN  10           HN       GLN  10 -21.862   6.730   6.905
   79    HA   GLN  10           HA       GLN  10 -20.114   7.112   4.651
   80    HB2  GLN  10           HB2      GLN  10 -19.281   6.631   6.959
   81    HB3  GLN  10           HB1      GLN  10 -19.983   5.024   6.836
   82    HG2  GLN  10           HG2      GLN  10 -18.513   4.612   4.863
   83    HG3  GLN  10           HG1      GLN  10 -17.731   6.157   5.191
   84   HE21  GLN  10          HE21      GLN  10 -18.877   3.984   7.677
   85   HE22  GLN  10          HE22      GLN  10 -17.319   3.536   8.274
   86    H    ARG  11           HN       ARG  11 -21.723   6.532   3.032
   87    HA   ARG  11           HA       ARG  11 -22.456   3.724   2.900
   88    HB2  ARG  11           HB2      ARG  11 -23.080   5.919   0.918
   89    HB3  ARG  11           HB1      ARG  11 -23.813   4.324   0.985
   90    HG2  ARG  11           HG2      ARG  11 -24.139   6.577   2.951
   91    HG3  ARG  11           HG1      ARG  11 -25.362   5.890   1.883
   92    HD2  ARG  11           HD2      ARG  11 -24.006   4.454   4.162
   93    HD3  ARG  11           HD1      ARG  11 -25.626   5.139   4.205
   94    HE   ARG  11           HE       ARG  11 -25.667   3.416   2.083
   95   HH11  ARG  11          HH11      ARG  11 -24.910   3.155   5.485
   96   HH12  ARG  11          HH12      ARG  11 -25.420   1.501   5.608
   97   HH21  ARG  11          HH21      ARG  11 -26.352   1.234   2.234
   98   HH22  ARG  11          HH22      ARG  11 -26.252   0.410   3.758
   99    H    ASP  12           HN       ASP  12 -21.766   2.320   1.369
  100    HA   ASP  12           HA       ASP  12 -20.277   1.276   0.021
  101    HB2  ASP  12           HB2      ASP  12 -21.244   3.043  -1.563
  102    HB3  ASP  12           HB1      ASP  12 -19.741   3.927  -1.305
  103    HA   PRO  13           HA       PRO  13 -16.882   2.836   2.829
  104    HB2  PRO  13           HB2      PRO  13 -16.583  -0.096   3.156
  105    HB3  PRO  13           HB1      PRO  13 -16.630   1.173   4.385
  106    HG2  PRO  13           HG2      PRO  13 -18.706  -0.459   4.036
  107    HG3  PRO  13           HG1      PRO  13 -18.951   1.263   4.389
  108    HD2  PRO  13           HD2      PRO  13 -19.154  -0.186   1.775
  109    HD3  PRO  13           HD1      PRO  13 -20.193   1.095   2.437
  110    H    LEU  14           HN       LEU  14 -16.969   0.342   0.339
  111    HA   LEU  14           HA       LEU  14 -14.210  -0.045   0.008
  112    HB2  LEU  14           HB2      LEU  14 -16.410  -0.130  -2.063
  113    HB3  LEU  14           HB1      LEU  14 -14.759  -0.657  -2.360
  114    HG   LEU  14           HG       LEU  14 -16.629  -1.885  -0.324
  115   HD11  LEU  14          HD11      LEU  14 -16.734  -3.775  -1.858
  116   HD12  LEU  14          HD12      LEU  14 -15.752  -2.892  -3.025
  117   HD13  LEU  14          HD13      LEU  14 -17.364  -2.310  -2.609
  118   HD21  LEU  14          HD21      LEU  14 -14.345  -2.156   0.370
  119   HD22  LEU  14          HD22      LEU  14 -13.866  -2.655  -1.252
  120   HD23  LEU  14          HD23      LEU  14 -14.918  -3.690  -0.287
  121    H    GLN  15           HN       GLN  15 -16.340   2.453  -1.320
  122    HA   GLN  15           HA       GLN  15 -14.466   3.689  -3.001
  123    HB2  GLN  15           HB2      GLN  15 -16.839   4.202  -3.126
  124    HB3  GLN  15           HB1      GLN  15 -16.816   4.860  -1.499
  125    HG2  GLN  15           HG2      GLN  15 -15.355   6.663  -2.239
  126    HG3  GLN  15           HG1      GLN  15 -15.356   6.000  -3.872
  127   HE21  GLN  15          HE21      GLN  15 -18.183   5.976  -1.837
  128   HE22  GLN  15          HE22      GLN  15 -19.079   7.147  -2.736
  129    H    ALA  16           HN       ALA  16 -15.256   4.274   0.408
  130    HA   ALA  16           HA       ALA  16 -13.510   6.443   0.808
  131    HB1  ALA  16           HB1      ALA  16 -13.770   5.989   3.185
  132    HB2  ALA  16           HB2      ALA  16 -14.460   4.407   2.817
  133    HB3  ALA  16           HB3      ALA  16 -15.322   5.874   2.354
  134    H    LEU  17           HN       LEU  17 -13.091   2.962   1.320
  135    HA   LEU  17           HA       LEU  17 -10.431   3.105   2.238
  136    HB2  LEU  17           HB2      LEU  17 -11.826   1.118   2.531
  137    HB3  LEU  17           HB1      LEU  17 -11.837   0.862   0.796
  138    HG   LEU  17           HG       LEU  17  -9.349   0.587   0.894
  139   HD11  LEU  17          HD11      LEU  17  -9.850   0.547   3.864
  140   HD12  LEU  17          HD12      LEU  17  -8.915   1.749   2.973
  141   HD13  LEU  17          HD13      LEU  17  -8.344   0.083   3.071
  142   HD21  LEU  17          HD21      LEU  17  -9.434  -1.680   1.745
  143   HD22  LEU  17          HD22      LEU  17 -10.864  -1.319   0.779
  144   HD23  LEU  17          HD23      LEU  17 -10.971  -1.340   2.540
  145    H    ARG  18           HN       ARG  18 -11.810   2.804  -1.002
  146    HA   ARG  18           HA       ARG  18  -9.451   2.384  -2.437
  147    HB2  ARG  18           HB2      ARG  18 -11.745   2.255  -3.397
  148    HB3  ARG  18           HB1      ARG  18 -11.859   4.007  -3.304
  149    HG2  ARG  18           HG2      ARG  18  -9.899   4.150  -4.828
  150    HG3  ARG  18           HG1      ARG  18  -9.970   2.396  -5.001
  151    HD2  ARG  18           HD2      ARG  18 -11.097   3.468  -6.859
  152    HD3  ARG  18           HD1      ARG  18 -12.260   2.585  -5.871
  153    HE   ARG  18           HE       ARG  18 -12.376   5.086  -4.858
  154   HH11  ARG  18          HH11      ARG  18 -12.564   3.869  -8.132
  155   HH12  ARG  18          HH12      ARG  18 -13.655   5.106  -8.663
  156   HH21  ARG  18          HH21      ARG  18 -13.785   6.745  -5.566
  157   HH22  ARG  18          HH22      ARG  18 -14.336   6.751  -7.209
  158    H    ARG  19           HN       ARG  19 -10.933   5.345  -1.227
  159    HA   ARG  19           HA       ARG  19  -9.134   7.177  -2.395
  160    HB2  ARG  19           HB2      ARG  19 -11.305   7.796  -1.357
  161    HB3  ARG  19           HB1      ARG  19 -10.634   7.419   0.223
  162    HG2  ARG  19           HG2      ARG  19  -9.017   9.198   0.002
  163    HG3  ARG  19           HG1      ARG  19  -9.582   9.540  -1.635
  164    HD2  ARG  19           HD2      ARG  19 -11.796  10.103  -0.734
  165    HD3  ARG  19           HD1      ARG  19 -11.200   9.801   0.897
  166    HE   ARG  19           HE       ARG  19  -9.467  11.645  -0.075
  167   HH11  ARG  19          HH11      ARG  19 -12.961  11.514   0.116
  168   HH12  ARG  19          HH12      ARG  19 -13.140  13.232   0.273
  169   HH21  ARG  19          HH21      ARG  19  -9.700  13.904   0.129
  170   HH22  ARG  19          HH22      ARG  19 -11.287  14.591   0.286
  171    H    ARG  20           HN       ARG  20  -9.121   5.471   0.704
  172    HA   ARG  20           HA       ARG  20  -6.725   6.513   1.715
  173    HB2  ARG  20           HB2      ARG  20  -8.000   3.809   2.162
  174    HB3  ARG  20           HB1      ARG  20  -6.651   4.435   3.101
  175    HG2  ARG  20           HG2      ARG  20  -8.054   6.306   3.844
  176    HG3  ARG  20           HG1      ARG  20  -9.407   5.644   2.926
  177    HD2  ARG  20           HD2      ARG  20  -9.533   5.082   5.317
  178    HD3  ARG  20           HD1      ARG  20  -9.402   3.646   4.306
  179    HE   ARG  20           HE       ARG  20  -7.043   3.531   4.950
  180   HH11  ARG  20          HH11      ARG  20  -9.160   5.512   6.932
  181   HH12  ARG  20          HH12      ARG  20  -8.157   5.391   8.341
  182   HH21  ARG  20          HH21      ARG  20  -5.721   3.392   6.811
  183   HH22  ARG  20          HH22      ARG  20  -6.202   4.193   8.272
  184    H    ASN  21           HN       ASN  21  -7.339   3.693  -0.350
  185    HA   ASN  21           HA       ASN  21  -4.685   2.779  -0.464
  186    HB2  ASN  21           HB2      ASN  21  -6.909   2.476  -2.493
  187    HB3  ASN  21           HB1      ASN  21  -5.371   1.627  -2.572
  188   HD21  ASN  21          HD21      ASN  21  -7.955   0.456  -2.415
  189   HD22  ASN  21          HD22      ASN  21  -8.001  -0.455  -0.941
  190    H    GLN  22           HN       GLN  22  -6.410   5.139  -2.450
  191    HA   GLN  22           HA       GLN  22  -4.378   5.550  -4.358
  192    HB2  GLN  22           HB2      GLN  22  -6.530   7.422  -3.354
  193    HB3  GLN  22           HB1      GLN  22  -5.502   7.754  -4.741
  194    HG2  GLN  22           HG2      GLN  22  -7.316   5.365  -4.521
  195    HG3  GLN  22           HG1      GLN  22  -7.767   6.883  -5.293
  196   HE21  GLN  22          HE21      GLN  22  -8.076   5.844  -7.271
  197   HE22  GLN  22          HE22      GLN  22  -6.751   5.312  -8.244
  198    H    GLU  23           HN       GLU  23  -4.889   6.770  -1.148
  199    HA   GLU  23           HA       GLU  23  -2.951   8.855  -1.246
  200    HB2  GLU  23           HB2      GLU  23  -4.840   8.701   0.397
  201    HB3  GLU  23           HB1      GLU  23  -4.000   7.364   1.167
  202    HG2  GLU  23           HG2      GLU  23  -2.140   8.830   1.708
  203    HG3  GLU  23           HG1      GLU  23  -2.955  10.172   0.904
  204    H    LEU  24           HN       LEU  24  -2.967   5.507  -0.099
  205    HA   LEU  24           HA       LEU  24  -0.295   5.412   0.794
  206    HB2  LEU  24           HB2      LEU  24  -2.045   3.188  -0.249
  207    HB3  LEU  24           HB1      LEU  24  -0.520   2.957   0.580
  208    HG   LEU  24           HG       LEU  24  -2.979   4.213   1.807
  209   HD11  LEU  24          HD11      LEU  24  -1.762   1.493   2.247
  210   HD12  LEU  24          HD12      LEU  24  -3.219   1.806   1.310
  211   HD13  LEU  24          HD13      LEU  24  -3.193   2.150   3.036
  212   HD21  LEU  24          HD21      LEU  24  -1.740   4.001   3.903
  213   HD22  LEU  24          HD22      LEU  24  -0.887   5.047   2.767
  214   HD23  LEU  24          HD23      LEU  24  -0.341   3.389   3.022
  215    H    LYS  25           HN       LYS  25  -1.787   4.705  -2.337
  216    HA   LYS  25           HA       LYS  25   0.449   3.628  -3.607
  217    HB2  LYS  25           HB2      LYS  25  -1.833   3.618  -4.570
  218    HB3  LYS  25           HB1      LYS  25  -1.700   5.348  -4.861
  219    HG2  LYS  25           HG2      LYS  25   0.280   4.879  -6.303
  220    HG3  LYS  25           HG1      LYS  25  -0.065   3.159  -6.118
  221    HD2  LYS  25           HD2      LYS  25  -2.240   3.457  -7.139
  222    HD3  LYS  25           HD1      LYS  25  -1.972   5.200  -7.254
  223    HE2  LYS  25           HE2      LYS  25  -0.414   3.032  -8.660
  224    HE3  LYS  25           HE1      LYS  25  -1.545   4.166  -9.399
  225    HZ1  LYS  25           HZ1      LYS  25   0.724   4.870  -9.761
  226    HZ2  LYS  25           HZ2      LYS  25   1.038   4.870  -8.100
  227    HZ3  LYS  25           HZ3      LYS  25  -0.058   5.981  -8.754
  228    H    GLN  26           HN       GLN  26  -0.549   6.998  -3.199
  229    HA   GLN  26           HA       GLN  26   1.519   8.135  -4.748
  230    HB2  GLN  26           HB2      GLN  26  -0.498   9.381  -4.076
  231    HB3  GLN  26           HB1      GLN  26   0.036   9.334  -2.401
  232    HG2  GLN  26           HG2      GLN  26   1.990  10.660  -2.967
  233    HG3  GLN  26           HG1      GLN  26   1.502  10.678  -4.660
  234   HE21  GLN  26          HE21      GLN  26   1.930  12.875  -2.787
  235   HE22  GLN  26          HE22      GLN  26   0.451  13.768  -2.764
  236    H    GLN  27           HN       GLN  27   1.348   7.032  -1.433
  237    HA   GLN  27           HA       GLN  27   3.768   8.250  -0.546
  238    HB2  GLN  27           HB2      GLN  27   2.309   5.832   0.543
  239    HB3  GLN  27           HB1      GLN  27   3.581   6.718   1.373
  240    HG2  GLN  27           HG2      GLN  27   2.168   8.692   1.470
  241    HG3  GLN  27           HG1      GLN  27   0.906   7.846   0.579
  242   HE21  GLN  27          HE21      GLN  27   2.869   6.365   3.076
  243   HE22  GLN  27          HE22      GLN  27   1.601   6.185   4.232
  244    H    VAL  28           HN       VAL  28   2.920   5.153  -1.998
  245    HA   VAL  28           HA       VAL  28   5.460   3.924  -1.660
  246    HB   VAL  28           HB       VAL  28   3.245   3.339  -3.638
  247   HG11  VAL  28          HG11      VAL  28   4.345   1.158  -3.935
  248   HG12  VAL  28          HG12      VAL  28   5.691   1.721  -2.945
  249   HG13  VAL  28          HG13      VAL  28   5.350   2.497  -4.490
  250   HG21  VAL  28          HG21      VAL  28   3.993   2.011  -1.033
  251   HG22  VAL  28          HG22      VAL  28   2.737   1.458  -2.141
  252   HG23  VAL  28          HG23      VAL  28   2.568   3.012  -1.322
  253    H    ASP  29           HN       ASP  29   3.898   5.592  -4.384
  254    HA   ASP  29           HA       ASP  29   6.052   5.478  -6.170
  255    HB2  ASP  29           HB2      ASP  29   3.729   7.364  -5.894
  256    HB3  ASP  29           HB1      ASP  29   4.990   7.675  -7.080
  257    H    SER  30           HN       SER  30   5.366   7.639  -3.502
  258    HA   SER  30           HA       SER  30   7.356   9.563  -4.027
  259    HB2  SER  30           HB2      SER  30   5.500   9.875  -2.392
  260    HB3  SER  30           HB1      SER  30   6.265   8.693  -1.332
  261    HG   SER  30           HG       SER  30   7.197  11.250  -2.091
  262    H    LEU  31           HN       LEU  31   7.388   6.548  -2.178
  263    HA   LEU  31           HA       LEU  31  10.038   6.710  -1.243
  264    HB2  LEU  31           HB2      LEU  31   8.395   5.093  -0.381
  265    HB3  LEU  31           HB1      LEU  31   8.418   4.253  -1.920
  266    HG   LEU  31           HG       LEU  31  10.866   3.811  -1.538
  267   HD11  LEU  31          HD11      LEU  31  11.374   5.518   0.063
  268   HD12  LEU  31          HD12      LEU  31  11.633   3.945   0.816
  269   HD13  LEU  31          HD13      LEU  31  10.185   4.875   1.194
  270   HD21  LEU  31          HD21      LEU  31  10.474   1.967  -0.009
  271   HD22  LEU  31          HD22      LEU  31   9.148   2.120  -1.161
  272   HD23  LEU  31          HD23      LEU  31   8.948   2.691   0.495
  273    H    LEU  32           HN       LEU  32   8.670   5.145  -4.110
  274    HA   LEU  32           HA       LEU  32  11.026   4.221  -5.245
  275    HB2  LEU  32           HB2      LEU  32   8.514   5.202  -6.600
  276    HB3  LEU  32           HB1      LEU  32   9.766   4.253  -7.378
  277    HG   LEU  32           HG       LEU  32   8.067   3.324  -5.062
  278   HD11  LEU  32          HD11      LEU  32   6.767   3.544  -7.105
  279   HD12  LEU  32          HD12      LEU  32   7.016   1.847  -6.700
  280   HD13  LEU  32          HD13      LEU  32   7.966   2.596  -7.984
  281   HD21  LEU  32          HD21      LEU  32  10.261   2.294  -5.038
  282   HD22  LEU  32          HD22      LEU  32  10.098   1.859  -6.738
  283   HD23  LEU  32          HD23      LEU  32   9.040   1.125  -5.534
  284    H    SER  33           HN       SER  33   9.568   7.407  -5.299
  285    HA   SER  33           HA       SER  33  11.121   8.547  -7.344
  286    HB2  SER  33           HB2      SER  33   9.084   9.606  -6.402
  287    HB3  SER  33           HB1      SER  33   9.957   9.916  -4.904
  288    HG   SER  33           HG       SER  33  11.009  10.836  -7.346
  289    H    GLU  34           HN       GLU  34  11.688   8.229  -3.846
  290    HA   GLU  34           HA       GLU  34  14.141   9.711  -3.909
  291    HB2  GLU  34           HB2      GLU  34  13.140   7.764  -1.823
  292    HB3  GLU  34           HB1      GLU  34  14.438   8.931  -1.621
  293    HG2  GLU  34           HG2      GLU  34  11.550   9.611  -2.124
  294    HG3  GLU  34           HG1      GLU  34  12.357   9.650  -0.558
  295    H    SER  35           HN       SER  35  13.186   6.354  -3.993
  296    HA   SER  35           HA       SER  35  15.770   5.218  -3.803
  297    HB2  SER  35           HB2      SER  35  13.675   4.014  -3.242
  298    HB3  SER  35           HB1      SER  35  13.231   4.023  -4.947
  299    HG   SER  35           HG       SER  35  15.721   3.023  -4.616
  300    H    GLN  36           HN       GLN  36  14.416   6.989  -6.278
  301    HA   GLN  36           HA       GLN  36  15.583   5.389  -8.440
  302    HB2  GLN  36           HB2      GLN  36  13.228   6.140  -8.663
  303    HB3  GLN  36           HB1      GLN  36  13.765   7.808  -8.555
  304    HG2  GLN  36           HG2      GLN  36  15.052   7.508 -10.627
  305    HG3  GLN  36           HG1      GLN  36  14.447   5.855 -10.741
  306   HE21  GLN  36          HE21      GLN  36  13.640   9.224 -10.960
  307   HE22  GLN  36          HE22      GLN  36  12.118   9.015 -11.754
  308    H    LEU  37           HN       LEU  37  16.414   7.782  -6.358
  309    HA   LEU  37           HA       LEU  37  17.850   9.472  -8.234
  310    HB2  LEU  37           HB2      LEU  37  17.701   9.545  -5.219
  311    HB3  LEU  37           HB1      LEU  37  18.446  10.766  -6.232
  312    HG   LEU  37           HG       LEU  37  15.509  10.075  -6.237
  313   HD11  LEU  37          HD11      LEU  37  16.961  12.435  -5.055
  314   HD12  LEU  37          HD12      LEU  37  16.168  11.142  -4.156
  315   HD13  LEU  37          HD13      LEU  37  15.211  12.242  -5.148
  316   HD21  LEU  37          HD21      LEU  37  17.095  12.189  -7.675
  317   HD22  LEU  37          HD22      LEU  37  15.338  12.200  -7.528
  318   HD23  LEU  37          HD23      LEU  37  16.141  10.888  -8.387
  319    H    LYS  38           HN       LYS  38  20.117   9.799  -8.122
  320    HA   LYS  38           HA       LYS  38  21.632   7.418  -7.713
  321    HB2  LYS  38           HB2      LYS  38  22.151   9.109  -9.470
  322    HB3  LYS  38           HB1      LYS  38  22.610  10.239  -8.208
  323    HG2  LYS  38           HG2      LYS  38  24.422   8.750  -7.521
  324    HG3  LYS  38           HG1      LYS  38  23.962   7.610  -8.789
  325    HD2  LYS  38           HD2      LYS  38  24.399   9.346 -10.480
  326    HD3  LYS  38           HD1      LYS  38  24.898  10.452  -9.199
  327    HE2  LYS  38           HE2      LYS  38  26.837   9.450 -10.261
  328    HE3  LYS  38           HE1      LYS  38  26.707   8.912  -8.588
  329    HZ1  LYS  38           HZ1      LYS  38  25.703   6.849  -9.393
  330    HZ2  LYS  38           HZ2      LYS  38  27.251   7.074 -10.023
  331    HZ3  LYS  38           HZ3      LYS  38  25.897   7.366 -10.990
  332    H    GLU  39           HN       GLU  39  20.994  10.295  -5.875
  333    HA   GLU  39           HA       GLU  39  23.069  10.030  -3.964
  334    HB2  GLU  39           HB2      GLU  39  21.850  11.650  -2.646
  335    HB3  GLU  39           HB1      GLU  39  21.788  12.128  -4.335
  336    HG2  GLU  39           HG2      GLU  39  19.524  11.230  -4.510
  337    HG3  GLU  39           HG1      GLU  39  19.586  10.740  -2.817
  338    H    ALA  40           HN       ALA  40  20.210   8.281  -4.475
  339    HA   ALA  40           HA       ALA  40  19.624   7.612  -1.768
  340    HB1  ALA  40           HB1      ALA  40  18.046   6.019  -2.716
  341    HB2  ALA  40           HB2      ALA  40  18.729   6.295  -4.318
  342    HB3  ALA  40           HB3      ALA  40  17.898   7.602  -3.478
  343    H    LEU  41           HN       LEU  41  21.960   6.553  -3.973
  344    HA   LEU  41           HA       LEU  41  22.184   3.896  -2.839
  345    HB2  LEU  41           HB2      LEU  41  22.662   4.416  -5.252
  346    HB3  LEU  41           HB1      LEU  41  24.088   5.288  -4.723
  347    HG   LEU  41           HG       LEU  41  24.994   3.200  -3.765
  348   HD11  LEU  41          HD11      LEU  41  22.547   1.945  -4.995
  349   HD12  LEU  41          HD12      LEU  41  22.931   2.039  -3.276
  350   HD13  LEU  41          HD13      LEU  41  23.930   1.061  -4.352
  351   HD21  LEU  41          HD21      LEU  41  24.199   3.037  -6.668
  352   HD22  LEU  41          HD22      LEU  41  25.481   2.097  -5.903
  353   HD23  LEU  41          HD23      LEU  41  25.620   3.851  -6.016
  354    H    GLU  42           HN       GLU  42  22.870   6.820  -1.690
  355    HA   GLU  42           HA       GLU  42  25.456   6.298  -0.517
  356    HB2  GLU  42           HB2      GLU  42  24.631   8.609  -1.040
  357    HB3  GLU  42           HB1      GLU  42  23.412   8.412   0.209
  358    HG2  GLU  42           HG2      GLU  42  25.189   9.698   1.108
  359    HG3  GLU  42           HG1      GLU  42  25.249   8.104   1.858
  360    HA   PRO  43           HA       PRO  43  23.827   3.317   2.316
  361    HB2  PRO  43           HB2      PRO  43  25.953   4.406   4.117
  362    HB3  PRO  43           HB1      PRO  43  25.557   2.728   3.730
  363    HG2  PRO  43           HG2      PRO  43  27.638   3.942   2.594
  364    HG3  PRO  43           HG1      PRO  43  26.628   2.806   1.682
  365    HD2  PRO  43           HD2      PRO  43  26.784   5.768   1.510
  366    HD3  PRO  43           HD1      PRO  43  26.357   4.580   0.261
  367    H    ASN  44           HN       ASN  44  24.623   6.505   3.731
  368    HA   ASN  44           HA       ASN  44  23.078   6.203   6.054
  369    HB2  ASN  44           HB2      ASN  44  23.970   8.664   4.545
  370    HB3  ASN  44           HB1      ASN  44  23.038   8.767   6.038
  371   HD21  ASN  44          HD21      ASN  44  24.809   9.870   6.996
  372   HD22  ASN  44          HD22      ASN  44  26.209   9.006   7.528
  373    H    LYS  45           HN       LYS  45  22.203   7.721   2.932
  374    HA   LYS  45           HA       LYS  45  19.510   8.197   3.723
  375    HB2  LYS  45           HB2      LYS  45  20.625   9.534   1.998
  376    HB3  LYS  45           HB1      LYS  45  20.787   8.111   0.982
  377    HG2  LYS  45           HG2      LYS  45  18.974   9.427   0.156
  378    HG3  LYS  45           HG1      LYS  45  18.307   7.966   0.884
  379    HD2  LYS  45           HD2      LYS  45  16.899   9.610   1.703
  380    HD3  LYS  45           HD1      LYS  45  18.067   9.439   3.011
  381    HE2  LYS  45           HE2      LYS  45  18.152  11.548   0.852
  382    HE3  LYS  45           HE1      LYS  45  17.554  11.795   2.489
  383    HZ1  LYS  45           HZ1      LYS  45  19.770  12.601   2.356
  384    HZ2  LYS  45           HZ2      LYS  45  20.334  11.161   1.679
  385    HZ3  LYS  45           HZ3      LYS  45  19.807  11.189   3.287
  386    H    ARG  46           HN       ARG  46  21.199   5.676   1.986
  387    HA   ARG  46           HA       ARG  46  18.999   4.327   0.905
  388    HB2  ARG  46           HB2      ARG  46  21.353   3.993   0.230
  389    HB3  ARG  46           HB1      ARG  46  21.663   3.192   1.760
  390    HG2  ARG  46           HG2      ARG  46  20.116   1.417   1.170
  391    HG3  ARG  46           HG1      ARG  46  19.747   2.233  -0.353
  392    HD2  ARG  46           HD2      ARG  46  22.049   2.008  -1.066
  393    HD3  ARG  46           HD1      ARG  46  22.480   1.285   0.481
  394    HE   ARG  46           HE       ARG  46  20.536  -0.025  -1.295
  395   HH11  ARG  46          HH11      ARG  46  23.535  -0.031   0.502
  396   HH12  ARG  46          HH12      ARG  46  23.873  -1.708   0.203
  397   HH21  ARG  46          HH21      ARG  46  20.961  -2.247  -1.693
  398   HH22  ARG  46          HH22      ARG  46  22.390  -2.983  -1.023
  399    H    GLN  47           HN       GLN  47  20.694   3.883   4.004
  400    HA   GLN  47           HA       GLN  47  19.085   1.710   4.848
  401    HB2  GLN  47           HB2      GLN  47  20.715   3.683   6.451
  402    HB3  GLN  47           HB1      GLN  47  19.947   2.256   7.128
  403    HG2  GLN  47           HG2      GLN  47  22.201   2.387   5.153
  404    HG3  GLN  47           HG1      GLN  47  22.210   1.704   6.778
  405   HE21  GLN  47          HE21      GLN  47  21.196  -0.302   7.134
  406   HE22  GLN  47          HE22      GLN  47  20.873  -1.389   5.829
  407    H    HIS  48           HN       HIS  48  18.765   5.180   5.036
  408    HA   HIS  48           HA       HIS  48  16.606   5.243   6.873
  409    HB2  HIS  48           HB2      HIS  48  18.019   7.240   6.240
  410    HB3  HIS  48           HB1      HIS  48  17.194   7.264   4.684
  411    HD1  HIS  48           HD1      HIS  48  16.738   8.122   8.281
  412    HD2  HIS  48           HD2      HIS  48  14.522   8.189   4.764
  413    HE1  HIS  48           HE1      HIS  48  14.703   9.502   8.788
  414    HE2  HIS  48           HE2      HIS  48  13.302   9.384   6.704
  415    H    ILE  49           HN       ILE  49  16.834   4.853   3.384
  416    HA   ILE  49           HA       ILE  49  14.117   5.060   2.722
  417    HB   ILE  49           HB       ILE  49  16.278   3.347   1.478
  418   HG12  ILE  49          HG12      ILE  49  15.130   6.033   0.682
  419   HG13  ILE  49          HG11      ILE  49  16.708   5.768   1.413
  420   HG21  ILE  49          HG21      ILE  49  13.578   4.064   0.347
  421   HG22  ILE  49          HG22      ILE  49  14.052   2.473   0.939
  422   HG23  ILE  49          HG23      ILE  49  14.848   3.161  -0.477
  423   HD11  ILE  49          HD11      ILE  49  15.819   4.776  -1.286
  424   HD12  ILE  49          HD12      ILE  49  17.400   4.496  -0.555
  425   HD13  ILE  49          HD13      ILE  49  16.901   6.135  -0.973
  426    H    TYR  50           HN       TYR  50  16.034   2.267   3.795
  427    HA   TYR  50           HA       TYR  50  14.120   0.287   3.741
  428    HB2  TYR  50           HB2      TYR  50  16.481  -0.103   4.284
  429    HB3  TYR  50           HB1      TYR  50  16.282   0.735   5.817
  430    HD1  TYR  50           HD1      TYR  50  16.518  -0.764   7.548
  431    HD2  TYR  50           HD2      TYR  50  14.295  -1.962   4.117
  432    HE1  TYR  50           HE1      TYR  50  16.001  -2.909   8.633
  433    HE2  TYR  50           HE2      TYR  50  13.781  -4.111   5.201
  434    HH   TYR  50           HH       TYR  50  14.697  -5.553   6.941
  435    H    GLN  51           HN       GLN  51  14.628   2.753   6.241
  436    HA   GLN  51           HA       GLN  51  12.704   1.731   8.063
  437    HB2  GLN  51           HB2      GLN  51  14.430   3.341   8.770
  438    HB3  GLN  51           HB1      GLN  51  13.724   4.565   7.725
  439    HG2  GLN  51           HG2      GLN  51  13.092   4.938  10.032
  440    HG3  GLN  51           HG1      GLN  51  11.682   4.546   9.052
  441   HE21  GLN  51          HE21      GLN  51  10.470   3.871  10.788
  442   HE22  GLN  51          HE22      GLN  51  10.788   2.399  11.641
  443    H    ARG  52           HN       ARG  52  12.527   4.204   5.515
  444    HA   ARG  52           HA       ARG  52   9.826   4.896   5.870
  445    HB2  ARG  52           HB2      ARG  52  11.611   4.939   3.445
  446    HB3  ARG  52           HB1      ARG  52   9.939   5.473   3.377
  447    HG2  ARG  52           HG2      ARG  52  10.458   7.159   5.115
  448    HG3  ARG  52           HG1      ARG  52  12.151   6.661   5.033
  449    HD2  ARG  52           HD2      ARG  52  12.303   7.315   2.737
  450    HD3  ARG  52           HD1      ARG  52  10.568   7.609   2.653
  451    HE   ARG  52           HE       ARG  52  11.986   9.222   4.593
  452   HH11  ARG  52          HH11      ARG  52  10.799   8.967   1.313
  453   HH12  ARG  52          HH12      ARG  52  10.831  10.676   1.028
  454   HH21  ARG  52          HH21      ARG  52  12.029  11.479   4.224
  455   HH22  ARG  52          HH22      ARG  52  11.510  12.106   2.692
  456    H    CYS  53           HN       CYS  53  11.372   2.268   4.209
  457    HA   CYS  53           HA       CYS  53   9.131   1.481   2.638
  458    HB2  CYS  53           HB2      CYS  53  11.659   0.882   2.346
  459    HB3  CYS  53           HB1      CYS  53  11.302  -0.430   3.470
  460    HG   CYS  53           HG       CYS  53  10.318  -2.040   1.733
  461    H    ILE  54           HN       ILE  54  10.470   0.396   5.726
  462    HA   ILE  54           HA       ILE  54   8.640  -1.631   6.293
  463    HB   ILE  54           HB       ILE  54  10.067   0.226   8.198
  464   HG12  ILE  54          HG12      ILE  54  10.699  -2.602   7.306
  465   HG13  ILE  54          HG11      ILE  54  11.564  -1.150   6.802
  466   HG21  ILE  54          HG21      ILE  54   8.131  -0.740   9.290
  467   HG22  ILE  54          HG22      ILE  54   9.613  -1.458   9.925
  468   HG23  ILE  54          HG23      ILE  54   8.621  -2.354   8.775
  469   HD11  ILE  54          HD11      ILE  54  11.414  -2.236   9.607
  470   HD12  ILE  54          HD12      ILE  54  12.285  -0.789   9.107
  471   HD13  ILE  54          HD13      ILE  54  12.788  -2.369   8.508
  472    H    GLN  55           HN       GLN  55   8.495   1.831   7.067
  473    HA   GLN  55           HA       GLN  55   6.125   1.695   8.576
  474    HB2  GLN  55           HB2      GLN  55   7.770   3.578   8.592
  475    HB3  GLN  55           HB1      GLN  55   7.169   4.064   7.014
  476    HG2  GLN  55           HG2      GLN  55   5.280   3.814   9.312
  477    HG3  GLN  55           HG1      GLN  55   6.305   5.239   9.160
  478   HE21  GLN  55          HE21      GLN  55   3.388   4.918   8.983
  479   HE22  GLN  55          HE22      GLN  55   2.942   5.584   7.451
  480    H    LEU  56           HN       LEU  56   6.598   2.697   5.174
  481    HA   LEU  56           HA       LEU  56   3.937   3.001   4.515
  482    HB2  LEU  56           HB2      LEU  56   6.112   1.952   2.700
  483    HB3  LEU  56           HB1      LEU  56   4.607   2.683   2.184
  484    HG   LEU  56           HG       LEU  56   6.826   4.089   3.678
  485   HD11  LEU  56          HD11      LEU  56   5.931   4.305   0.811
  486   HD12  LEU  56          HD12      LEU  56   7.427   3.568   1.385
  487   HD13  LEU  56          HD13      LEU  56   7.162   5.300   1.588
  488   HD21  LEU  56          HD21      LEU  56   4.221   5.133   2.577
  489   HD22  LEU  56          HD22      LEU  56   5.539   6.135   3.179
  490   HD23  LEU  56          HD23      LEU  56   4.692   5.046   4.275
  491    H    LYS  57           HN       LYS  57   5.855   0.028   4.581
  492    HA   LYS  57           HA       LYS  57   3.907  -1.619   3.363
  493    HB2  LYS  57           HB2      LYS  57   6.289  -2.287   3.696
  494    HB3  LYS  57           HB1      LYS  57   5.973  -2.435   5.421
  495    HG2  LYS  57           HG2      LYS  57   4.222  -4.134   4.869
  496    HG3  LYS  57           HG1      LYS  57   4.782  -4.070   3.198
  497    HD2  LYS  57           HD2      LYS  57   7.000  -4.799   3.897
  498    HD3  LYS  57           HD1      LYS  57   6.474  -4.816   5.583
  499    HE2  LYS  57           HE2      LYS  57   4.741  -6.491   4.951
  500    HE3  LYS  57           HE1      LYS  57   5.450  -6.549   3.338
  501    HZ1  LYS  57           HZ1      LYS  57   7.515  -7.320   4.308
  502    HZ2  LYS  57           HZ2      LYS  57   6.247  -8.348   4.744
  503    HZ3  LYS  57           HZ3      LYS  57   6.854  -7.235   5.861
  504    H    GLN  58           HN       GLN  58   4.508  -0.674   6.699
  505    HA   GLN  58           HA       GLN  58   2.582  -2.318   7.925
  506    HB2  GLN  58           HB2      GLN  58   3.712   0.354   8.764
  507    HB3  GLN  58           HB1      GLN  58   2.675  -0.632   9.785
  508    HG2  GLN  58           HG2      GLN  58   4.304  -2.373   9.877
  509    HG3  GLN  58           HG1      GLN  58   5.305  -1.568   8.668
  510   HE21  GLN  58          HE21      GLN  58   5.939  -2.400  11.391
  511   HE22  GLN  58          HE22      GLN  58   6.459  -0.972  12.219
  512    H    ALA  59           HN       ALA  59   2.362   0.851   6.416
  513    HA   ALA  59           HA       ALA  59  -0.266   1.452   7.274
  514    HB1  ALA  59           HB1      ALA  59   1.215   2.448   4.844
  515    HB2  ALA  59           HB2      ALA  59   1.294   3.152   6.458
  516    HB3  ALA  59           HB3      ALA  59  -0.223   3.177   5.558
  517    H    ILE  60           HN       ILE  60   1.031  -0.151   4.395
  518    HA   ILE  60           HA       ILE  60  -1.463  -0.420   3.069
  519    HB   ILE  60           HB       ILE  60   1.006  -2.145   2.786
  520   HG12  ILE  60          HG12      ILE  60   0.104   0.269   1.195
  521   HG13  ILE  60          HG11      ILE  60   1.426   0.254   2.358
  522   HG21  ILE  60          HG21      ILE  60  -1.346  -1.773   0.937
  523   HG22  ILE  60          HG22      ILE  60  -1.008  -3.209   1.901
  524   HG23  ILE  60          HG23      ILE  60   0.088  -2.741   0.602
  525   HD11  ILE  60          HD11      ILE  60   2.622  -1.357   0.951
  526   HD12  ILE  60          HD12      ILE  60   2.272   0.146   0.097
  527   HD13  ILE  60          HD13      ILE  60   1.306  -1.295  -0.220
  528    H    ASP  61           HN       ASP  61   0.364  -2.517   5.250
  529    HA   ASP  61           HA       ASP  61  -1.326  -4.754   5.205
  530    HB2  ASP  61           HB2      ASP  61   0.914  -4.790   6.247
  531    HB3  ASP  61           HB1      ASP  61   0.351  -3.695   7.506
  532    H    GLU  62           HN       GLU  62  -1.400  -1.819   7.119
  533    HA   GLU  62           HA       GLU  62  -3.483  -2.481   8.860
  534    HB2  GLU  62           HB2      GLU  62  -2.101  -0.552   9.271
  535    HB3  GLU  62           HB1      GLU  62  -2.611   0.195   7.763
  536    HG2  GLU  62           HG2      GLU  62  -4.879   0.406   8.628
  537    HG3  GLU  62           HG1      GLU  62  -4.375  -0.354  10.137
  538    H    ASN  63           HN       ASN  63  -3.570  -0.832   5.717
  539    HA   ASN  63           HA       ASN  63  -6.399  -0.534   5.708
  540    HB2  ASN  63           HB2      ASN  63  -4.280  -0.265   3.590
  541    HB3  ASN  63           HB1      ASN  63  -5.988  -0.149   3.186
  542   HD21  ASN  63          HD21      ASN  63  -3.369   1.333   5.010
  543   HD22  ASN  63          HD22      ASN  63  -4.130   2.878   5.179
  544    H    LYS  64           HN       LYS  64  -4.181  -2.941   4.370
  545    HA   LYS  64           HA       LYS  64  -6.056  -4.522   3.016
  546    HB2  LYS  64           HB2      LYS  64  -3.636  -4.864   2.827
  547    HB3  LYS  64           HB1      LYS  64  -3.561  -5.368   4.508
  548    HG2  LYS  64           HG2      LYS  64  -5.099  -7.261   3.904
  549    HG3  LYS  64           HG1      LYS  64  -4.863  -6.806   2.214
  550    HD2  LYS  64           HD2      LYS  64  -2.457  -7.145   2.449
  551    HD3  LYS  64           HD1      LYS  64  -2.675  -7.568   4.149
  552    HE2  LYS  64           HE2      LYS  64  -4.118  -9.461   3.437
  553    HE3  LYS  64           HE1      LYS  64  -3.740  -9.072   1.760
  554    HZ1  LYS  64           HZ1      LYS  64  -1.774  -9.853   3.844
  555    HZ2  LYS  64           HZ2      LYS  64  -1.406  -9.474   2.238
  556    HZ3  LYS  64           HZ3      LYS  64  -2.333 -10.840   2.589
  557    H    ASN  65           HN       ASN  65  -4.996  -4.561   6.396
  558    HA   ASN  65           HA       ASN  65  -6.631  -6.741   7.175
  559    HB2  ASN  65           HB2      ASN  65  -5.149  -4.608   8.668
  560    HB3  ASN  65           HB1      ASN  65  -6.287  -5.636   9.526
  561   HD21  ASN  65          HD21      ASN  65  -4.350  -6.675   6.811
  562   HD22  ASN  65          HD22      ASN  65  -3.342  -7.762   7.695
  563    H    ALA  66           HN       ALA  66  -7.118  -3.260   7.092
  564    HA   ALA  66           HA       ALA  66  -9.552  -3.167   8.481
  565    HB1  ALA  66           HB1      ALA  66  -8.245  -1.167   7.948
  566    HB2  ALA  66           HB2      ALA  66  -9.909  -1.019   7.378
  567    HB3  ALA  66           HB3      ALA  66  -8.614  -1.383   6.236
  568    H    LEU  67           HN       LEU  67  -8.826  -3.587   5.046
  569    HA   LEU  67           HA       LEU  67 -11.480  -3.731   4.137
  570    HB2  LEU  67           HB2      LEU  67  -9.593  -3.342   2.656
  571    HB3  LEU  67           HB1      LEU  67  -8.955  -4.933   3.005
  572    HG   LEU  67           HG       LEU  67 -10.791  -5.985   1.839
  573   HD11  LEU  67          HD11      LEU  67 -12.608  -4.505   2.377
  574   HD12  LEU  67          HD12      LEU  67 -12.458  -4.615   0.624
  575   HD13  LEU  67          HD13      LEU  67 -11.856  -3.192   1.472
  576   HD21  LEU  67          HD21      LEU  67  -9.596  -3.712   0.264
  577   HD22  LEU  67          HD22      LEU  67 -10.366  -5.138  -0.426
  578   HD23  LEU  67          HD23      LEU  67  -8.881  -5.305   0.509
  579    H    GLN  68           HN       GLN  68  -9.225  -6.255   5.205
  580    HA   GLN  68           HA       GLN  68 -11.053  -8.379   4.671
  581    HB2  GLN  68           HB2      GLN  68  -8.560  -8.611   4.778
  582    HB3  GLN  68           HB1      GLN  68  -8.664  -8.407   6.520
  583    HG2  GLN  68           HG2      GLN  68  -9.921 -10.433   6.744
  584    HG3  GLN  68           HG1      GLN  68 -10.040 -10.601   4.992
  585   HE21  GLN  68          HE21      GLN  68  -8.261 -11.280   3.825
  586   HE22  GLN  68          HE22      GLN  68  -6.877 -11.994   4.575
  587    H    LYS  69           HN       LYS  69 -10.523  -6.221   7.333
  588    HA   LYS  69           HA       LYS  69 -12.038  -7.693   9.267
  589    HB2  LYS  69           HB2      LYS  69 -10.373  -5.931   9.871
  590    HB3  LYS  69           HB1      LYS  69 -11.429  -4.727   9.150
  591    HG2  LYS  69           HG2      LYS  69 -13.169  -5.331  10.807
  592    HG3  LYS  69           HG1      LYS  69 -12.007  -6.414  11.572
  593    HD2  LYS  69           HD2      LYS  69 -10.504  -4.513  11.956
  594    HD3  LYS  69           HD1      LYS  69 -11.683  -3.435  11.210
  595    HE2  LYS  69           HE2      LYS  69 -13.307  -4.050  12.961
  596    HE3  LYS  69           HE1      LYS  69 -12.079  -5.062  13.721
  597    HZ1  LYS  69           HZ1      LYS  69 -12.207  -2.922  14.795
  598    HZ2  LYS  69           HZ2      LYS  69 -11.919  -2.124  13.334
  599    HZ3  LYS  69           HZ3      LYS  69 -10.710  -3.083  14.024
  600    H    LEU  70           HN       LEU  70 -12.736  -5.555   6.664
  601    HA   LEU  70           HA       LEU  70 -15.458  -5.025   7.426
  602    HB2  LEU  70           HB2      LEU  70 -13.787  -3.706   5.844
  603    HB3  LEU  70           HB1      LEU  70 -14.456  -4.764   4.620
  604    HG   LEU  70           HG       LEU  70 -16.188  -3.011   6.354
  605   HD11  LEU  70          HD11      LEU  70 -15.060  -2.391   3.628
  606   HD12  LEU  70          HD12      LEU  70 -14.574  -1.623   5.140
  607   HD13  LEU  70          HD13      LEU  70 -16.215  -1.412   4.533
  608   HD21  LEU  70          HD21      LEU  70 -17.802  -3.312   4.558
  609   HD22  LEU  70          HD22      LEU  70 -17.307  -4.868   5.224
  610   HD23  LEU  70          HD23      LEU  70 -16.656  -4.321   3.680
  611    H    SER  71           HN       SER  71 -15.758  -7.367   7.856
  612    HA   SER  71           HA       SER  71 -15.955  -9.100   5.542
  613    HB2  SER  71           HB2      SER  71 -16.489  -9.647   8.472
  614    HB3  SER  71           HB1      SER  71 -16.408 -10.864   7.201
  615    HG   SER  71           HG       SER  71 -14.184  -9.446   7.045
  616    H    LYS  72           HN       LYS  72 -17.729  -8.195   4.415
  617    HA   LYS  72           HA       LYS  72 -20.334  -8.524   5.741
  618    HB2  LYS  72           HB2      LYS  72 -19.574  -7.069   3.190
  619    HB3  LYS  72           HB1      LYS  72 -21.239  -7.341   3.686
  620    HG2  LYS  72           HG2      LYS  72 -20.836  -6.047   5.746
  621    HG3  LYS  72           HG1      LYS  72 -19.169  -5.761   5.233
  622    HD2  LYS  72           HD2      LYS  72 -19.940  -4.536   3.284
  623    HD3  LYS  72           HD1      LYS  72 -21.619  -4.906   3.677
  624    HE2  LYS  72           HE2      LYS  72 -19.746  -3.279   5.398
  625    HE3  LYS  72           HE1      LYS  72 -20.971  -2.614   4.320
  626    HZ1  LYS  72           HZ1      LYS  72 -21.490  -4.371   6.655
  627    HZ2  LYS  72           HZ2      LYS  72 -22.670  -3.741   5.623
  628    HZ3  LYS  72           HZ3      LYS  72 -21.755  -2.705   6.596
  629    H    ALA  73           HN       ALA  73 -19.099 -10.836   5.293
  630    HA   ALA  73           HA       ALA  73 -19.613 -11.993   2.739
  631    HB1  ALA  73           HB1      ALA  73 -19.063 -13.362   5.363
  632    HB2  ALA  73           HB2      ALA  73 -17.833 -12.782   4.239
  633    HB3  ALA  73           HB3      ALA  73 -18.930 -14.076   3.755
  634    H    ASP  74           HN       ASP  74 -21.616 -11.189   5.281
  635    HA   ASP  74           HA       ASP  74 -23.529 -13.323   4.951
  636    HB2  ASP  74           HB2      ASP  74 -24.923 -12.055   6.506
  637    HB3  ASP  74           HB1      ASP  74 -23.279 -12.157   7.126
  638    H    GLU  75           HN       GLU  75 -22.578 -10.955   3.027
  639    HA   GLU  75           HA       GLU  75 -23.326 -10.374   0.969
  640    HB2  GLU  75           HB2      GLU  75 -24.718 -12.385   0.899
  641    HB3  GLU  75           HB1      GLU  75 -25.986 -11.544   1.779
  642    HG2  GLU  75           HG2      GLU  75 -26.192  -9.950  -0.073
  643    HG3  GLU  75           HG1      GLU  75 -24.953 -10.839  -0.956
  644    H    SER  76           HN       SER  76 -23.219  -8.263   0.911
  645    HA   SER  76           HA       SER  76 -25.317  -6.687   2.220
  646    HB2  SER  76           HB2      SER  76 -23.698  -4.768   1.718
  647    HB3  SER  76           HB1      SER  76 -23.165  -5.950   2.914
  648    HG   SER  76           HG       SER  76 -21.532  -5.453   1.354
  649    H    ALA  77           HN       ALA  77 -23.362  -6.499  -0.755
  650    HA   ALA  77           HA       ALA  77 -25.699  -6.456  -2.424
  651    HB1  ALA  77           HB1      ALA  77 -24.030  -3.955  -2.245
  652    HB2  ALA  77           HB2      ALA  77 -25.679  -4.138  -1.648
  653    HB3  ALA  77           HB3      ALA  77 -25.349  -4.246  -3.377
  654    HA   PRO  78           HA       PRO  78 -21.655  -7.741  -4.398
  655    HB2  PRO  78           HB2      PRO  78 -21.961 -10.395  -4.499
  656    HB3  PRO  78           HB1      PRO  78 -21.425  -9.597  -3.015
  657    HG2  PRO  78           HG2      PRO  78 -24.119 -10.660  -3.732
  658    HG3  PRO  78           HG1      PRO  78 -23.267 -10.713  -2.178
  659    HD2  PRO  78           HD2      PRO  78 -25.245  -8.875  -2.861
  660    HD3  PRO  78           HD1      PRO  78 -24.063  -8.668  -1.558
  661    H    VAL  79           HN       VAL  79 -23.457  -6.532  -5.845
  662    HA   VAL  79           HA       VAL  79 -24.936  -8.198  -7.628
  663    HB   VAL  79           HB       VAL  79 -24.243  -5.273  -7.896
  664   HG11  VAL  79          HG11      VAL  79 -26.382  -6.906  -9.250
  665   HG12  VAL  79          HG12      VAL  79 -24.934  -6.254 -10.016
  666   HG13  VAL  79          HG13      VAL  79 -26.172  -5.161  -9.395
  667   HG21  VAL  79          HG21      VAL  79 -26.500  -4.889  -6.993
  668   HG22  VAL  79          HG22      VAL  79 -25.425  -5.676  -5.837
  669   HG23  VAL  79          HG23      VAL  79 -26.647  -6.620  -6.689
  670    H    ALA  80           HN       ALA  80 -22.216  -5.962  -8.279
  671    HA   ALA  80           HA       ALA  80 -20.919  -7.924  -9.929
  672    HB1  ALA  80           HB1      ALA  80 -20.971  -6.646 -12.000
  673    HB2  ALA  80           HB2      ALA  80 -22.006  -5.439 -11.241
  674    HB3  ALA  80           HB3      ALA  80 -22.600  -7.079 -11.487
  675    H    ASN  81           HN       ASN  81 -21.050  -4.386  -9.481
  676    HA   ASN  81           HA       ASN  81 -18.280  -3.996  -9.823
  677    HB2  ASN  81           HB2      ASN  81 -20.329  -2.273  -8.413
  678    HB3  ASN  81           HB1      ASN  81 -18.681  -1.763  -8.752
  679   HD21  ASN  81          HD21      ASN  81 -21.264  -0.701  -9.653
  680   HD22  ASN  81          HD22      ASN  81 -21.186  -0.694 -11.381
  681    H    TYR  82           HN       TYR  82 -20.244  -4.616  -6.985
  682    HA   TYR  82           HA       TYR  82 -18.438  -3.919  -4.981
  683    HB2  TYR  82           HB2      TYR  82 -20.911  -4.604  -4.785
  684    HB3  TYR  82           HB1      TYR  82 -20.340  -6.266  -4.790
  685    HD1  TYR  82           HD1      TYR  82 -18.640  -6.916  -2.911
  686    HD2  TYR  82           HD2      TYR  82 -21.058  -3.407  -2.810
  687    HE1  TYR  82           HE1      TYR  82 -18.352  -6.788  -0.475
  688    HE2  TYR  82           HE2      TYR  82 -20.760  -3.270  -0.374
  689    HH   TYR  82           HH       TYR  82 -18.475  -5.207   1.314
  690    H    ASN  83           HN       ASN  83 -18.759  -6.922  -6.818
  691    HA   ASN  83           HA       ASN  83 -16.866  -8.393  -5.275
  692    HB2  ASN  83           HB2      ASN  83 -17.959  -8.851  -8.063
  693    HB3  ASN  83           HB1      ASN  83 -16.907  -9.983  -7.221
  694   HD21  ASN  83          HD21      ASN  83 -18.457 -11.600  -7.264
  695   HD22  ASN  83          HD22      ASN  83 -19.865 -11.555  -6.264
  696    H    GLN  84           HN       GLN  84 -16.743  -6.641  -8.325
  697    HA   GLN  84           HA       GLN  84 -14.088  -7.381  -8.965
  698    HB2  GLN  84           HB2      GLN  84 -15.790  -5.089  -9.955
  699    HB3  GLN  84           HB1      GLN  84 -14.250  -5.561 -10.661
  700    HG2  GLN  84           HG2      GLN  84 -15.155  -7.720 -11.271
  701    HG3  GLN  84           HG1      GLN  84 -16.681  -7.327 -10.481
  702   HE21  GLN  84          HE21      GLN  84 -18.069  -5.864 -11.437
  703   HE22  GLN  84          HE22      GLN  84 -17.928  -5.396 -13.097
  704    H    ARG  85           HN       ARG  85 -15.499  -4.454  -7.549
  705    HA   ARG  85           HA       ARG  85 -13.098  -2.977  -7.486
  706    HB2  ARG  85           HB2      ARG  85 -15.581  -2.695  -5.789
  707    HB3  ARG  85           HB1      ARG  85 -14.275  -1.521  -5.849
  708    HG2  ARG  85           HG2      ARG  85 -14.703  -1.168  -8.232
  709    HG3  ARG  85           HG1      ARG  85 -16.026  -2.333  -8.161
  710    HD2  ARG  85           HD2      ARG  85 -17.147  -0.920  -6.484
  711    HD3  ARG  85           HD1      ARG  85 -15.841   0.254  -6.625
  712    HE   ARG  85           HE       ARG  85 -16.728   0.009  -9.171
  713   HH11  ARG  85          HH11      ARG  85 -18.295   0.669  -6.113
  714   HH12  ARG  85          HH12      ARG  85 -19.554   1.633  -6.816
  715   HH21  ARG  85          HH21      ARG  85 -18.392   1.291 -10.106
  716   HH22  ARG  85          HH22      ARG  85 -19.606   1.992  -9.084
  717    H    LYS  86           HN       LYS  86 -14.600  -5.146  -5.146
  718    HA   LYS  86           HA       LYS  86 -12.898  -4.606  -2.983
  719    HB2  LYS  86           HB2      LYS  86 -14.857  -5.855  -2.525
  720    HB3  LYS  86           HB1      LYS  86 -14.491  -7.042  -3.776
  721    HG2  LYS  86           HG2      LYS  86 -12.520  -7.769  -2.416
  722    HG3  LYS  86           HG1      LYS  86 -13.066  -6.679  -1.136
  723    HD2  LYS  86           HD2      LYS  86 -14.656  -8.995  -2.255
  724    HD3  LYS  86           HD1      LYS  86 -13.738  -9.018  -0.752
  725    HE2  LYS  86           HE2      LYS  86 -15.150  -7.171   0.100
  726    HE3  LYS  86           HE1      LYS  86 -16.116  -7.263  -1.374
  727    HZ1  LYS  86           HZ1      LYS  86 -17.142  -8.495   0.419
  728    HZ2  LYS  86           HZ2      LYS  86 -15.754  -9.444   0.608
  729    HZ3  LYS  86           HZ3      LYS  86 -16.666  -9.553  -0.810
  730    H    GLU  87           HN       GLU  87 -12.650  -6.974  -5.609
  731    HA   GLU  87           HA       GLU  87 -10.219  -8.111  -4.653
  732    HB2  GLU  87           HB2      GLU  87 -11.647  -8.277  -7.300
  733    HB3  GLU  87           HB1      GLU  87 -10.129  -9.106  -6.990
  734    HG2  GLU  87           HG2      GLU  87 -11.176 -10.334  -5.154
  735    HG3  GLU  87           HG1      GLU  87 -12.698  -9.505  -5.468
  736    H    GLU  88           HN       GLU  88 -11.016  -5.547  -6.922
  737    HA   GLU  88           HA       GLU  88  -8.536  -5.258  -8.171
  738    HB2  GLU  88           HB2      GLU  88 -10.722  -3.286  -7.572
  739    HB3  GLU  88           HB1      GLU  88  -9.259  -2.809  -8.419
  740    HG2  GLU  88           HG2      GLU  88 -11.235  -4.898  -9.309
  741    HG3  GLU  88           HG1      GLU  88 -11.039  -3.281  -9.984
  742    H    GLU  89           HN       GLU  89  -9.715  -3.886  -5.124
  743    HA   GLU  89           HA       GLU  89  -7.393  -2.308  -4.693
  744    HB2  GLU  89           HB2      GLU  89  -9.405  -3.306  -2.669
  745    HB3  GLU  89           HB1      GLU  89  -8.211  -2.044  -2.395
  746    HG2  GLU  89           HG2      GLU  89 -10.584  -1.966  -4.237
  747    HG3  GLU  89           HG1      GLU  89 -10.282  -0.974  -2.812
  748    H    HIS  90           HN       HIS  90  -8.312  -5.596  -3.786
  749    HA   HIS  90           HA       HIS  90  -6.058  -6.188  -2.198
  750    HB2  HIS  90           HB2      HIS  90  -7.929  -7.866  -3.834
  751    HB3  HIS  90           HB1      HIS  90  -6.437  -8.591  -3.250
  752    HD1  HIS  90           HD1      HIS  90  -6.468  -9.495  -0.939
  753    HD2  HIS  90           HD2      HIS  90  -9.610  -6.868  -1.646
  754    HE1  HIS  90           HE1      HIS  90  -7.931  -9.623   1.105
  755    HE2  HIS  90           HE2      HIS  90  -9.917  -8.175   0.565
  756    H    THR  91           HN       THR  91  -6.623  -6.465  -5.678
  757    HA   THR  91           HA       THR  91  -4.188  -7.584  -6.432
  758    HB   THR  91           HB       THR  91  -5.843  -5.617  -8.033
  759    HG1  THR  91           HG1      THR  91  -6.939  -7.517  -8.757
  760   HG21  THR  91          HG21      THR  91  -3.699  -6.113  -9.061
  761   HG22  THR  91          HG22      THR  91  -4.998  -6.887  -9.966
  762   HG23  THR  91          HG23      THR  91  -3.990  -7.842  -8.880
  763    H    LEU  92           HN       LEU  92  -5.110  -4.183  -6.020
  764    HA   LEU  92           HA       LEU  92  -2.643  -3.135  -6.991
  765    HB2  LEU  92           HB2      LEU  92  -4.642  -1.787  -7.051
  766    HB3  LEU  92           HB1      LEU  92  -4.830  -1.907  -5.313
  767    HG   LEU  92           HG       LEU  92  -2.707  -0.627  -5.044
  768   HD11  LEU  92          HD11      LEU  92  -1.850   0.613  -6.978
  769   HD12  LEU  92          HD12      LEU  92  -2.954  -0.276  -8.028
  770   HD13  LEU  92          HD13      LEU  92  -1.668  -1.130  -7.174
  771   HD21  LEU  92          HD21      LEU  92  -3.681   1.535  -5.622
  772   HD22  LEU  92          HD22      LEU  92  -4.881   0.466  -4.895
  773   HD23  LEU  92          HD23      LEU  92  -4.875   0.729  -6.638
  774    H    LEU  93           HN       LEU  93  -3.979  -3.560  -3.707
  775    HA   LEU  93           HA       LEU  93  -1.767  -2.367  -2.416
  776    HB2  LEU  93           HB2      LEU  93  -3.838  -4.262  -1.308
  777    HB3  LEU  93           HB1      LEU  93  -2.701  -3.341  -0.346
  778    HG   LEU  93           HG       LEU  93  -4.872  -2.178  -2.091
  779   HD11  LEU  93          HD11      LEU  93  -5.901  -1.524   0.027
  780   HD12  LEU  93          HD12      LEU  93  -4.628  -2.367   0.910
  781   HD13  LEU  93          HD13      LEU  93  -5.751  -3.276  -0.103
  782   HD21  LEU  93          HD21      LEU  93  -4.259  -0.046  -1.027
  783   HD22  LEU  93          HD22      LEU  93  -2.946  -0.706  -2.001
  784   HD23  LEU  93          HD23      LEU  93  -2.894  -0.843  -0.244
  785    H    ASP  94           HN       ASP  94  -2.460  -5.683  -3.355
  786    HA   ASP  94           HA       ASP  94  -0.486  -6.850  -1.674
  787    HB2  ASP  94           HB2      ASP  94  -2.361  -8.157  -2.682
  788    HB3  ASP  94           HB1      ASP  94  -1.583  -7.993  -4.256
  789    H    LYS  95           HN       LYS  95  -0.428  -5.882  -5.132
  790    HA   LYS  95           HA       LYS  95   2.203  -6.633  -5.632
  791    HB2  LYS  95           HB2      LYS  95   0.529  -5.878  -7.339
  792    HB3  LYS  95           HB1      LYS  95   0.767  -4.229  -6.776
  793    HG2  LYS  95           HG2      LYS  95   3.202  -4.491  -7.358
  794    HG3  LYS  95           HG1      LYS  95   2.775  -6.020  -8.129
  795    HD2  LYS  95           HD2      LYS  95   2.810  -4.383  -9.845
  796    HD3  LYS  95           HD1      LYS  95   1.115  -4.734  -9.519
  797    HE2  LYS  95           HE2      LYS  95   0.975  -2.717  -8.126
  798    HE3  LYS  95           HE1      LYS  95   2.667  -2.366  -8.469
  799    HZ1  LYS  95           HZ1      LYS  95   2.084  -2.214 -10.832
  800    HZ2  LYS  95           HZ2      LYS  95   1.257  -1.074  -9.895
  801    HZ3  LYS  95           HZ3      LYS  95   0.457  -2.458 -10.444
  802    H    LEU  96           HN       LEU  96   0.893  -3.554  -4.455
  803    HA   LEU  96           HA       LEU  96   3.293  -2.168  -4.220
  804    HB2  LEU  96           HB2      LEU  96   0.890  -1.973  -2.403
  805    HB3  LEU  96           HB1      LEU  96   2.172  -0.786  -2.531
  806    HG   LEU  96           HG       LEU  96   0.262  -1.525  -4.752
  807   HD11  LEU  96          HD11      LEU  96  -0.667   0.715  -4.390
  808   HD12  LEU  96          HD12      LEU  96   0.393   0.921  -2.995
  809   HD13  LEU  96          HD13      LEU  96  -0.864  -0.316  -2.971
  810   HD21  LEU  96          HD21      LEU  96   2.422  -0.831  -5.613
  811   HD22  LEU  96          HD22      LEU  96   2.391   0.602  -4.585
  812   HD23  LEU  96          HD23      LEU  96   1.217   0.428  -5.889
  813    H    THR  97           HN       THR  97   1.698  -4.269  -1.835
  814    HA   THR  97           HA       THR  97   3.594  -4.109   0.196
  815    HB   THR  97           HB       THR  97   2.032  -6.578  -0.602
  816    HG1  THR  97           HG1      THR  97   0.711  -4.673  -0.246
  817   HG21  THR  97          HG21      THR  97   3.147  -5.730   2.074
  818   HG22  THR  97          HG22      THR  97   3.827  -6.982   1.034
  819   HG23  THR  97          HG23      THR  97   2.226  -7.197   1.743
  820    H    GLN  98           HN       GLN  98   3.489  -6.199  -2.656
  821    HA   GLN  98           HA       GLN  98   5.721  -7.788  -1.981
  822    HB2  GLN  98           HB2      GLN  98   3.955  -8.378  -3.644
  823    HB3  GLN  98           HB1      GLN  98   4.639  -7.184  -4.735
  824    HG2  GLN  98           HG2      GLN  98   6.772  -8.447  -4.690
  825    HG3  GLN  98           HG1      GLN  98   5.968  -9.685  -3.724
  826   HE21  GLN  98          HE21      GLN  98   6.264  -8.224  -6.844
  827   HE22  GLN  98          HE22      GLN  98   5.357  -9.408  -7.719
  828    H    GLN  99           HN       GLN  99   5.375  -4.845  -3.914
  829    HA   GLN  99           HA       GLN  99   8.017  -4.752  -4.893
  830    HB2  GLN  99           HB2      GLN  99   6.059  -2.503  -4.391
  831    HB3  GLN  99           HB1      GLN  99   7.561  -2.333  -5.285
  832    HG2  GLN  99           HG2      GLN  99   5.250  -4.105  -6.049
  833    HG3  GLN  99           HG1      GLN  99   5.643  -2.546  -6.770
  834   HE21  GLN  99          HE21      GLN  99   5.450  -5.191  -7.989
  835   HE22  GLN  99          HE22      GLN  99   6.981  -5.484  -8.735
  836    H    LEU 100           HN       LEU 100   6.517  -3.299  -2.028
  837    HA   LEU 100           HA       LEU 100   8.848  -1.960  -1.135
  838    HB2  LEU 100           HB2      LEU 100   6.458  -2.917   0.445
  839    HB3  LEU 100           HB1      LEU 100   7.670  -1.795   1.031
  840    HG   LEU 100           HG       LEU 100   5.685  -1.316  -1.191
  841   HD11  LEU 100          HD11      LEU 100   4.828   0.406   0.292
  842   HD12  LEU 100          HD12      LEU 100   6.040  -0.015   1.502
  843   HD13  LEU 100          HD13      LEU 100   4.781  -1.173   1.074
  844   HD21  LEU 100          HD21      LEU 100   7.922   0.440  -0.191
  845   HD22  LEU 100          HD22      LEU 100   6.629   0.961  -1.271
  846   HD23  LEU 100          HD23      LEU 100   7.774  -0.271  -1.799
  847    H    GLN 101           HN       GLN 101   7.462  -5.117  -0.485
  848    HA   GLN 101           HA       GLN 101   9.247  -5.949   1.514
  849    HB2  GLN 101           HB2      GLN 101   7.106  -7.062   0.991
  850    HB3  GLN 101           HB1      GLN 101   7.752  -7.589  -0.552
  851    HG2  GLN 101           HG2      GLN 101   9.063  -8.394   2.014
  852    HG3  GLN 101           HG1      GLN 101   7.646  -9.248   1.411
  853   HE21  GLN 101          HE21      GLN 101  10.342 -10.229   1.801
  854   HE22  GLN 101          HE22      GLN 101  10.886 -10.798   0.258
  855    H    GLY 102           HN       GLY 102   9.355  -6.195  -2.017
  856    HA2  GLY 102           HA2      GLY 102  11.757  -7.676  -2.178
  857    HA3  GLY 102           HA1      GLY 102  11.068  -6.692  -3.459
  858    H    LEU 103           HN       LEU 103  11.124  -4.184  -2.330
  859    HA   LEU 103           HA       LEU 103  13.800  -3.419  -2.789
  860    HB2  LEU 103           HB2      LEU 103  11.924  -1.914  -3.205
  861    HB3  LEU 103           HB1      LEU 103  11.526  -1.898  -1.498
  862    HG   LEU 103           HG       LEU 103  13.667  -0.753  -1.019
  863   HD11  LEU 103          HD11      LEU 103  13.965  -0.722  -4.020
  864   HD12  LEU 103          HD12      LEU 103  14.980  -1.603  -2.878
  865   HD13  LEU 103          HD13      LEU 103  14.975   0.161  -2.876
  866   HD21  LEU 103          HD21      LEU 103  11.947   0.587  -3.103
  867   HD22  LEU 103          HD22      LEU 103  13.057   1.406  -2.005
  868   HD23  LEU 103          HD23      LEU 103  11.650   0.558  -1.365
  869    H    ALA 104           HN       ALA 104  11.899  -3.747   0.171
  870    HA   ALA 104           HA       ALA 104  13.756  -2.752   1.989
  871    HB1  ALA 104           HB1      ALA 104  12.515  -4.074   3.675
  872    HB2  ALA 104           HB2      ALA 104  11.648  -4.877   2.367
  873    HB3  ALA 104           HB3      ALA 104  11.462  -3.140   2.616
  874    H    VAL 105           HN       VAL 105  13.255  -6.088   0.863
  875    HA   VAL 105           HA       VAL 105  15.333  -7.179   2.453
  876    HB   VAL 105           HB       VAL 105  13.952  -8.264   0.005
  877   HG11  VAL 105          HG11      VAL 105  16.163  -9.267   0.160
  878   HG12  VAL 105          HG12      VAL 105  14.917 -10.438   0.592
  879   HG13  VAL 105          HG13      VAL 105  15.875  -9.666   1.854
  880   HG21  VAL 105          HG21      VAL 105  12.494  -8.043   1.901
  881   HG22  VAL 105          HG22      VAL 105  13.677  -8.827   2.947
  882   HG23  VAL 105          HG23      VAL 105  12.883  -9.748   1.672
  883    H    THR 106           HN       THR 106  15.207  -5.941  -0.849
  884    HA   THR 106           HA       THR 106  17.752  -6.788  -1.660
  885    HB   THR 106           HB       THR 106  16.193  -4.351  -2.537
  886    HG1  THR 106           HG1      THR 106  15.023  -6.128  -3.087
  887   HG21  THR 106          HG21      THR 106  17.559  -4.423  -4.564
  888   HG22  THR 106          HG22      THR 106  18.504  -5.749  -3.888
  889   HG23  THR 106          HG23      THR 106  18.561  -4.154  -3.139
  890    H    ILE 107           HN       ILE 107  16.716  -3.893   0.088
  891    HA   ILE 107           HA       ILE 107  19.328  -2.721   0.152
  892    HB   ILE 107           HB       ILE 107  16.931  -2.153   1.900
  893   HG12  ILE 107          HG12      ILE 107  17.902  -0.671  -0.553
  894   HG13  ILE 107          HG11      ILE 107  16.559  -1.810  -0.552
  895   HG21  ILE 107          HG21      ILE 107  19.478  -0.610   1.455
  896   HG22  ILE 107          HG22      ILE 107  18.923  -1.345   2.959
  897   HG23  ILE 107          HG23      ILE 107  18.057   0.032   2.277
  898   HD11  ILE 107          HD11      ILE 107  16.697   0.761   1.005
  899   HD12  ILE 107          HD12      ILE 107  15.352  -0.382   1.013
  900   HD13  ILE 107          HD13      ILE 107  15.771   0.480  -0.470
  901    H    SER 108           HN       SER 108  17.495  -4.886   2.201
  902    HA   SER 108           HA       SER 108  19.303  -4.711   4.423
  903    HB2  SER 108           HB2      SER 108  16.963  -5.256   4.815
  904    HB3  SER 108           HB1      SER 108  17.092  -6.687   3.797
  905    HG   SER 108           HG       SER 108  18.658  -7.478   5.323
  906    H    ARG 109           HN       ARG 109  19.289  -6.350   1.466
  907    HA   ARG 109           HA       ARG 109  20.811  -8.638   2.335
  908    HB2  ARG 109           HB2      ARG 109  19.118  -8.780   0.528
  909    HB3  ARG 109           HB1      ARG 109  20.095  -7.696  -0.447
  910    HG2  ARG 109           HG2      ARG 109  21.845  -9.329  -0.608
  911    HG3  ARG 109           HG1      ARG 109  20.998 -10.400   0.513
  912    HD2  ARG 109           HD2      ARG 109  20.709 -11.058  -1.853
  913    HD3  ARG 109           HD1      ARG 109  19.188 -10.680  -1.050
  914    HE   ARG 109           HE       ARG 109  20.560  -8.740  -2.796
  915   HH11  ARG 109          HH11      ARG 109  17.667 -10.496  -1.848
  916   HH12  ARG 109          HH12      ARG 109  16.636  -9.624  -2.936
  917   HH21  ARG 109          HH21      ARG 109  19.199  -7.607  -4.224
  918   HH22  ARG 109          HH22      ARG 109  17.504  -7.981  -4.286
  919    H    GLU 110           HN       GLU 110  22.430  -7.073   3.270
  920    HA   GLU 110           HA       GLU 110  24.425  -6.325   1.242
  921    HB2  GLU 110           HB2      GLU 110  23.615  -4.861   3.749
  922    HB3  GLU 110           HB1      GLU 110  25.080  -4.490   2.852
  923    HG2  GLU 110           HG2      GLU 110  22.302  -4.374   1.714
  924    HG3  GLU 110           HG1      GLU 110  23.197  -2.989   2.340
  925    H    ASN 111           HN       ASN 111  24.416  -8.826   2.462
  926    HA   ASN 111           HA       ASN 111  26.522  -8.637   4.496
  927    HB2  ASN 111           HB2      ASN 111  24.487 -10.091   4.928
  928    HB3  ASN 111           HB1      ASN 111  25.051 -11.138   3.629
  929   HD21  ASN 111          HD21      ASN 111  25.379 -12.894   4.965
  930   HD22  ASN 111          HD22      ASN 111  26.665 -12.962   6.116
  931    H    ILE 112           HN       ILE 112  27.485  -7.847   2.195
  932    HA   ILE 112           HA       ILE 112  28.879 -10.174   1.065
  933    HB   ILE 112           HB       ILE 112  28.654  -7.471  -0.246
  934   HG12  ILE 112          HG12      ILE 112  26.978  -9.930  -0.784
  935   HG13  ILE 112          HG11      ILE 112  26.408  -8.507   0.066
  936   HG21  ILE 112          HG21      ILE 112  29.333  -8.675  -2.244
  937   HG22  ILE 112          HG22      ILE 112  29.363 -10.188  -1.337
  938   HG23  ILE 112          HG23      ILE 112  30.513  -8.908  -0.953
  939   HD11  ILE 112          HD11      ILE 112  25.660  -8.522  -2.242
  940   HD12  ILE 112          HD12      ILE 112  27.333  -8.600  -2.794
  941   HD13  ILE 112          HD13      ILE 112  26.749  -7.169  -1.945
  942    H    THR 113           HN       THR 113  30.372 -10.149   2.805
  943    HA   THR 113           HA       THR 113  32.223  -7.872   2.853
  944    HB   THR 113           HB       THR 113  32.093 -10.206   4.777
  945    HG1  THR 113           HG1      THR 113  30.924  -7.603   4.928
  946   HG21  THR 113          HG21      THR 113  33.415  -7.500   5.022
  947   HG22  THR 113          HG22      THR 113  34.247  -9.028   4.734
  948   HG23  THR 113          HG23      THR 113  33.393  -8.760   6.253
  949    H    GLU 114           HN       GLU 114  33.389  -8.317   0.988
  950    HA   GLU 114           HA       GLU 114  35.097  -9.167  -0.235
  951    HB2  GLU 114           HB2      GLU 114  35.553 -10.562   2.358
  952    HB3  GLU 114           HB1      GLU 114  36.419 -11.127   0.945
  953    HG2  GLU 114           HG2      GLU 114  37.630  -9.472   2.390
  954    HG3  GLU 114           HG1      GLU 114  37.536  -9.070   0.680
  955    H    VAL 115           HN       VAL 115  35.181 -10.592  -1.883
  956    HA   VAL 115           HA       VAL 115  33.023 -12.548  -1.944
  957    HB   VAL 115           HB       VAL 115  33.464 -12.707  -4.359
  958   HG11  VAL 115          HG11      VAL 115  31.888 -11.051  -3.513
  959   HG12  VAL 115          HG12      VAL 115  32.719 -10.460  -4.953
  960   HG13  VAL 115          HG13      VAL 115  33.195  -9.877  -3.358
  961   HG21  VAL 115          HG21      VAL 115  35.042 -11.182  -5.435
  962   HG22  VAL 115          HG22      VAL 115  35.870 -12.287  -4.340
  963   HG23  VAL 115          HG23      VAL 115  35.581 -10.618  -3.855
  964    H    GLY 116           HN       GLY 116  36.380 -12.478  -1.476
  965    HA2  GLY 116           HA2      GLY 116  36.937 -15.095  -2.563
  966    HA3  GLY 116           HA1      GLY 116  38.045 -14.085  -1.647
  967    H    ALA 117           HN       ALA 117  36.210 -16.872  -1.582
  968    HA   ALA 117           HA       ALA 117  35.557 -16.939   1.183
  969    HB1  ALA 117           HB1      ALA 117  35.842 -19.290  -0.679
  970    HB2  ALA 117           HB2      ALA 117  34.387 -18.316  -0.491
  971    HB3  ALA 117           HB3      ALA 117  34.999 -19.259   0.868
  972    HA   PRO 118           HA       PRO 118  39.621 -19.434   1.768
  973    HB2  PRO 118           HB2      PRO 118  41.273 -18.975  -0.592
  974    HB3  PRO 118           HB1      PRO 118  40.803 -20.504   0.149
  975    HG2  PRO 118           HG2      PRO 118  39.869 -19.697  -2.263
  976    HG3  PRO 118           HG1      PRO 118  38.923 -20.710  -1.156
  977    HD2  PRO 118           HD2      PRO 118  38.743 -17.759  -1.646
  978    HD3  PRO 118           HD1      PRO 118  37.442 -18.945  -1.446
  979    H    THR 119           HN       THR 119  40.557 -16.932  -0.591
  980    HA   THR 119           HA       THR 119  41.181 -15.013   1.409
  981    HB   THR 119           HB       THR 119  43.136 -16.367   1.796
  982    HG1  THR 119           HG1      THR 119  43.656 -14.043   0.240
  983   HG21  THR 119          HG21      THR 119  43.684 -16.198  -1.170
  984   HG22  THR 119          HG22      THR 119  43.150 -17.634  -0.296
  985   HG23  THR 119          HG23      THR 119  44.737 -16.938   0.037
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1 -42.677   8.783  12.735
    2    H2   GLY   1           HT2      GLY   1 -42.671   9.740  14.130
    3    H3   GLY   1           HT3      GLY   1 -41.230   9.056  13.569
    4    HA2  GLY   1           HA1      GLY   1 -42.823  11.120  12.157
    5    HA3  GLY   1           HA2      GLY   1 -41.325  11.407  13.034
    6    HA   PRO   2           HA       PRO   2 -40.653   9.528   8.625
    7    HB2  PRO   2           HB2      PRO   2 -41.240  11.518   6.876
    8    HB3  PRO   2           HB1      PRO   2 -42.416  10.297   7.369
    9    HG2  PRO   2           HG2      PRO   2 -42.087  13.109   8.320
   10    HG3  PRO   2           HG1      PRO   2 -43.575  12.209   7.976
   11    HD2  PRO   2           HD2      PRO   2 -42.605  12.602  10.493
   12    HD3  PRO   2           HD1      PRO   2 -43.583  11.197  10.033
   13    H    MET   3           HN       MET   3 -38.551   9.595   8.198
   14    HA   MET   3           HA       MET   3 -37.118  12.147   8.544
   15    HB2  MET   3           HB2      MET   3 -36.091   9.310   8.757
   16    HB3  MET   3           HB1      MET   3 -35.097  10.751   8.900
   17    HG2  MET   3           HG2      MET   3 -36.365  11.435  10.871
   18    HG3  MET   3           HG1      MET   3 -37.365   9.990  10.727
   19    HE1  MET   3           HE1      MET   3 -32.857   9.927  11.717
   20    HE2  MET   3           HE2      MET   3 -33.787  11.401  11.455
   21    HE3  MET   3           HE3      MET   3 -33.475  10.304  10.110
   22    H    ALA   4           HN       ALA   4 -36.315  13.068   6.781
   23    HA   ALA   4           HA       ALA   4 -36.265  11.518   4.296
   24    HB1  ALA   4           HB1      ALA   4 -37.576  13.581   4.282
   25    HB2  ALA   4           HB2      ALA   4 -36.224  13.673   3.153
   26    HB3  ALA   4           HB3      ALA   4 -36.134  14.504   4.706
   27    H    MET   5           HN       MET   5 -34.155  12.424   6.682
   28    HA   MET   5           HA       MET   5 -31.898  13.117   5.039
   29    HB2  MET   5           HB2      MET   5 -31.999  13.952   7.316
   30    HB3  MET   5           HB1      MET   5 -32.075  12.313   7.950
   31    HG2  MET   5           HG2      MET   5 -29.856  13.291   8.211
   32    HG3  MET   5           HG1      MET   5 -29.829  11.870   7.169
   33    HE1  MET   5           HE1      MET   5 -27.445  12.470   6.209
   34    HE2  MET   5           HE2      MET   5 -27.396  13.852   7.303
   35    HE3  MET   5           HE3      MET   5 -27.013  14.067   5.594
   36    H    LEU   6           HN       LEU   6 -30.366  11.808   4.212
   37    HA   LEU   6           HA       LEU   6 -30.148   9.056   5.140
   38    HB2  LEU   6           HB2      LEU   6 -31.785   9.003   3.276
   39    HB3  LEU   6           HB1      LEU   6 -30.600   9.765   2.234
   40    HG   LEU   6           HG       LEU   6 -29.126   7.784   2.523
   41   HD11  LEU   6          HD11      LEU   6 -30.103   5.728   3.437
   42   HD12  LEU   6          HD12      LEU   6 -31.521   6.641   3.950
   43   HD13  LEU   6          HD13      LEU   6 -29.943   6.988   4.658
   44   HD21  LEU   6          HD21      LEU   6 -31.889   7.197   1.470
   45   HD22  LEU   6          HD22      LEU   6 -30.419   6.309   1.073
   46   HD23  LEU   6          HD23      LEU   6 -30.591   7.993   0.582
   47    H    ALA   7           HN       ALA   7 -28.077   8.381   5.135
   48    HA   ALA   7           HA       ALA   7 -25.971  10.158   4.487
   49    HB1  ALA   7           HB1      ALA   7 -25.762   8.480   6.246
   50    HB2  ALA   7           HB2      ALA   7 -24.496   8.289   5.035
   51    HB3  ALA   7           HB3      ALA   7 -25.880   7.197   5.044
   52    H    ARG   8           HN       ARG   8 -25.734  10.724   2.383
   53    HA   ARG   8           HA       ARG   8 -25.500   8.520   0.443
   54    HB2  ARG   8           HB2      ARG   8 -26.512  11.322  -0.062
   55    HB3  ARG   8           HB1      ARG   8 -26.278  10.091  -1.294
   56    HG2  ARG   8           HG2      ARG   8 -27.928   8.665  -0.069
   57    HG3  ARG   8           HG1      ARG   8 -28.252  10.050   0.975
   58    HD2  ARG   8           HD2      ARG   8 -29.903   9.929  -0.798
   59    HD3  ARG   8           HD1      ARG   8 -28.898  11.365  -0.996
   60    HE   ARG   8           HE       ARG   8 -27.869   9.170  -2.483
   61   HH11  ARG   8          HH11      ARG   8 -30.421  11.574  -2.524
   62   HH12  ARG   8          HH12      ARG   8 -30.526  11.609  -4.257
   63   HH21  ARG   8          HH21      ARG   8 -28.030   9.211  -4.765
   64   HH22  ARG   8          HH22      ARG   8 -29.177  10.268  -5.522
   65    H    ARG   9           HN       ARG   9 -23.815  10.879   2.057
   66    HA   ARG   9           HA       ARG   9 -22.032  11.631  -0.062
   67    HB2  ARG   9           HB2      ARG   9 -22.426  13.116   1.864
   68    HB3  ARG   9           HB1      ARG   9 -21.703  11.918   2.929
   69    HG2  ARG   9           HG2      ARG   9 -19.582  12.145   1.690
   70    HG3  ARG   9           HG1      ARG   9 -20.320  13.419   0.718
   71    HD2  ARG   9           HD2      ARG   9 -19.950  13.456   3.707
   72    HD3  ARG   9           HD1      ARG   9 -18.980  14.349   2.536
   73    HE   ARG   9           HE       ARG   9 -21.387  15.282   1.961
   74   HH11  ARG   9          HH11      ARG   9 -19.915  14.724   5.087
   75   HH12  ARG   9          HH12      ARG   9 -20.802  15.992   5.874
   76   HH21  ARG   9          HH21      ARG   9 -22.554  16.948   2.981
   77   HH22  ARG   9          HH22      ARG   9 -22.306  17.260   4.672
   78    H    GLN  10           HN       GLN  10 -21.804   9.535   2.791
   79    HA   GLN  10           HA       GLN  10 -19.663   8.065   1.413
   80    HB2  GLN  10           HB2      GLN  10 -18.675   9.272   3.262
   81    HB3  GLN  10           HB1      GLN  10 -19.910   8.679   4.364
   82    HG2  GLN  10           HG2      GLN  10 -17.747   7.534   4.623
   83    HG3  GLN  10           HG1      GLN  10 -19.062   6.439   4.200
   84   HE21  GLN  10          HE21      GLN  10 -17.698   4.890   3.378
   85   HE22  GLN  10          HE22      GLN  10 -16.869   5.084   1.872
   86    H    ARG  11           HN       ARG  11 -20.617   6.294   0.691
   87    HA   ARG  11           HA       ARG  11 -22.137   4.666   2.621
   88    HB2  ARG  11           HB2      ARG  11 -22.633   4.925  -0.351
   89    HB3  ARG  11           HB1      ARG  11 -23.428   3.766   0.701
   90    HG2  ARG  11           HG2      ARG  11 -24.370   5.650   1.994
   91    HG3  ARG  11           HG1      ARG  11 -23.657   6.762   0.824
   92    HD2  ARG  11           HD2      ARG  11 -25.999   6.350   0.307
   93    HD3  ARG  11           HD1      ARG  11 -24.957   5.709  -0.963
   94    HE   ARG  11           HE       ARG  11 -25.307   3.552   0.579
   95   HH11  ARG  11          HH11      ARG  11 -27.601   5.867  -0.674
   96   HH12  ARG  11          HH12      ARG  11 -28.908   4.729  -0.743
   97   HH21  ARG  11          HH21      ARG  11 -27.013   2.049   0.485
   98   HH22  ARG  11          HH22      ARG  11 -28.577   2.556  -0.077
   99    H    ASP  12           HN       ASP  12 -20.263   4.631  -0.369
  100    HA   ASP  12           HA       ASP  12 -19.716   1.827  -0.263
  101    HB2  ASP  12           HB2      ASP  12 -18.343   3.998  -1.878
  102    HB3  ASP  12           HB1      ASP  12 -18.224   2.265  -2.163
  103    HA   PRO  13           HA       PRO  13 -16.420   2.423   2.805
  104    HB2  PRO  13           HB2      PRO  13 -16.127  -0.491   2.390
  105    HB3  PRO  13           HB1      PRO  13 -16.402   0.403   3.887
  106    HG2  PRO  13           HG2      PRO  13 -18.334  -1.080   2.779
  107    HG3  PRO  13           HG1      PRO  13 -18.696   0.453   3.594
  108    HD2  PRO  13           HD2      PRO  13 -18.505  -0.140   0.664
  109    HD3  PRO  13           HD1      PRO  13 -19.663   0.890   1.535
  110    H    LEU  14           HN       LEU  14 -16.368   0.644  -0.193
  111    HA   LEU  14           HA       LEU  14 -13.568   0.402  -0.492
  112    HB2  LEU  14           HB2      LEU  14 -15.679   0.585  -2.651
  113    HB3  LEU  14           HB1      LEU  14 -14.045  -0.040  -2.842
  114    HG   LEU  14           HG       LEU  14 -16.155  -1.275  -1.068
  115   HD11  LEU  14          HD11      LEU  14 -16.234  -3.047  -2.773
  116   HD12  LEU  14          HD12      LEU  14 -15.194  -2.070  -3.807
  117   HD13  LEU  14          HD13      LEU  14 -16.805  -1.494  -3.379
  118   HD21  LEU  14          HD21      LEU  14 -13.997  -1.806  -0.226
  119   HD22  LEU  14          HD22      LEU  14 -13.377  -2.131  -1.844
  120   HD23  LEU  14          HD23      LEU  14 -14.568  -3.214  -1.123
  121    H    GLN  15           HN       GLN  15 -15.834   2.980  -1.223
  122    HA   GLN  15           HA       GLN  15 -14.119   4.540  -2.837
  123    HB2  GLN  15           HB2      GLN  15 -16.529   4.929  -2.771
  124    HB3  GLN  15           HB1      GLN  15 -16.440   5.363  -1.072
  125    HG2  GLN  15           HG2      GLN  15 -16.663   7.335  -2.442
  126    HG3  GLN  15           HG1      GLN  15 -15.089   7.320  -1.648
  127   HE21  GLN  15          HE21      GLN  15 -16.784   7.020  -4.661
  128   HE22  GLN  15          HE22      GLN  15 -15.402   7.187  -5.685
  129    H    ALA  16           HN       ALA  16 -14.818   4.606   0.640
  130    HA   ALA  16           HA       ALA  16 -13.036   6.699   1.286
  131    HB1  ALA  16           HB1      ALA  16 -13.262   5.908   3.597
  132    HB2  ALA  16           HB2      ALA  16 -14.058   4.446   3.013
  133    HB3  ALA  16           HB3      ALA  16 -14.825   6.018   2.789
  134    H    LEU  17           HN       LEU  17 -12.706   3.175   1.314
  135    HA   LEU  17           HA       LEU  17 -10.070   3.095   2.290
  136    HB2  LEU  17           HB2      LEU  17 -11.529   1.138   2.258
  137    HB3  LEU  17           HB1      LEU  17 -11.514   1.142   0.505
  138    HG   LEU  17           HG       LEU  17  -9.053   0.737   0.579
  139   HD11  LEU  17          HD11      LEU  17  -9.559   0.342   3.521
  140   HD12  LEU  17          HD12      LEU  17  -8.586   1.617   2.790
  141   HD13  LEU  17          HD13      LEU  17  -8.070  -0.063   2.669
  142   HD21  LEU  17          HD21      LEU  17  -9.237  -1.614   1.134
  143   HD22  LEU  17          HD22      LEU  17 -10.657  -1.074   0.240
  144   HD23  LEU  17          HD23      LEU  17 -10.751  -1.311   1.985
  145    H    ARG  18           HN       ARG  18 -11.336   3.154  -1.028
  146    HA   ARG  18           HA       ARG  18  -8.898   2.862  -2.360
  147    HB2  ARG  18           HB2      ARG  18 -10.926   2.627  -3.595
  148    HB3  ARG  18           HB1      ARG  18 -11.449   4.250  -3.171
  149    HG2  ARG  18           HG2      ARG  18  -9.939   5.247  -4.636
  150    HG3  ARG  18           HG1      ARG  18  -8.966   3.784  -4.776
  151    HD2  ARG  18           HD2      ARG  18 -11.804   4.030  -5.758
  152    HD3  ARG  18           HD1      ARG  18 -10.382   4.279  -6.773
  153    HE   ARG  18           HE       ARG  18 -10.079   1.801  -5.565
  154   HH11  ARG  18          HH11      ARG  18 -12.344   3.319  -7.766
  155   HH12  ARG  18          HH12      ARG  18 -12.703   1.843  -8.605
  156   HH21  ARG  18          HH21      ARG  18 -10.549  -0.128  -6.650
  157   HH22  ARG  18          HH22      ARG  18 -11.688  -0.115  -7.972
  158    H    ARG  19           HN       ARG  19 -10.485   5.766  -1.120
  159    HA   ARG  19           HA       ARG  19  -8.689   7.670  -2.120
  160    HB2  ARG  19           HB2      ARG  19 -10.853   8.167  -0.970
  161    HB3  ARG  19           HB1      ARG  19 -10.104   7.714   0.555
  162    HG2  ARG  19           HG2      ARG  19  -8.416   9.523   0.154
  163    HG3  ARG  19           HG1      ARG  19  -9.407  10.042  -1.212
  164    HD2  ARG  19           HD2      ARG  19  -9.984  11.369   0.703
  165    HD3  ARG  19           HD1      ARG  19 -11.325  10.284   0.336
  166    HE   ARG  19           HE       ARG  19  -9.360   9.645   2.439
  167   HH11  ARG  19          HH11      ARG  19 -12.676  10.048   1.373
  168   HH12  ARG  19          HH12      ARG  19 -13.354   9.546   2.886
  169   HH21  ARG  19          HH21      ARG  19 -10.252   8.988   4.429
  170   HH22  ARG  19          HH22      ARG  19 -11.977   8.937   4.625
  171    H    ARG  20           HN       ARG  20  -8.654   5.768   0.847
  172    HA   ARG  20           HA       ARG  20  -6.197   6.758   1.844
  173    HB2  ARG  20           HB2      ARG  20  -7.661   4.177   2.418
  174    HB3  ARG  20           HB1      ARG  20  -6.288   4.776   3.342
  175    HG2  ARG  20           HG2      ARG  20  -7.528   6.671   4.090
  176    HG3  ARG  20           HG1      ARG  20  -8.862   6.294   3.001
  177    HD2  ARG  20           HD2      ARG  20  -9.277   4.220   4.244
  178    HD3  ARG  20           HD1      ARG  20  -7.950   4.615   5.341
  179    HE   ARG  20           HE       ARG  20  -9.477   6.785   5.588
  180   HH11  ARG  20          HH11      ARG  20 -10.333   3.391   5.634
  181   HH12  ARG  20          HH12      ARG  20 -11.706   3.621   6.667
  182   HH21  ARG  20          HH21      ARG  20 -11.283   7.092   6.953
  183   HH22  ARG  20          HH22      ARG  20 -12.246   5.725   7.418
  184    H    ASN  21           HN       ASN  21  -7.031   3.971  -0.180
  185    HA   ASN  21           HA       ASN  21  -4.456   2.826  -0.230
  186    HB2  ASN  21           HB2      ASN  21  -6.694   2.665  -2.263
  187    HB3  ASN  21           HB1      ASN  21  -5.210   1.728  -2.364
  188   HD21  ASN  21          HD21      ASN  21  -7.872   0.702  -2.177
  189   HD22  ASN  21          HD22      ASN  21  -7.948  -0.205  -0.707
  190    H    GLN  22           HN       GLN  22  -5.987   5.251  -2.317
  191    HA   GLN  22           HA       GLN  22  -3.792   5.525  -4.080
  192    HB2  GLN  22           HB2      GLN  22  -6.126   6.342  -4.528
  193    HB3  GLN  22           HB1      GLN  22  -5.829   7.649  -3.387
  194    HG2  GLN  22           HG2      GLN  22  -3.977   8.434  -4.787
  195    HG3  GLN  22           HG1      GLN  22  -4.302   7.139  -5.933
  196   HE21  GLN  22          HE21      GLN  22  -4.346  10.044  -6.307
  197   HE22  GLN  22          HE22      GLN  22  -5.927  10.422  -6.890
  198    H    GLU  23           HN       GLU  23  -4.522   6.801  -0.937
  199    HA   GLU  23           HA       GLU  23  -2.636   8.918  -0.858
  200    HB2  GLU  23           HB2      GLU  23  -4.502   8.612   0.770
  201    HB3  GLU  23           HB1      GLU  23  -3.678   7.199   1.411
  202    HG2  GLU  23           HG2      GLU  23  -3.215   8.937   2.904
  203    HG3  GLU  23           HG1      GLU  23  -1.747   8.734   1.950
  204    H    LEU  24           HN       LEU  24  -2.535   5.518   0.137
  205    HA   LEU  24           HA       LEU  24   0.203   5.514   0.893
  206    HB2  LEU  24           HB2      LEU  24  -1.641   3.253   0.114
  207    HB3  LEU  24           HB1      LEU  24  -0.026   3.027   0.755
  208    HG   LEU  24           HG       LEU  24  -2.228   4.441   2.266
  209   HD11  LEU  24          HD11      LEU  24  -2.479   2.398   3.542
  210   HD12  LEU  24          HD12      LEU  24  -1.273   1.595   2.543
  211   HD13  LEU  24          HD13      LEU  24  -2.813   2.088   1.840
  212   HD21  LEU  24          HD21      LEU  24  -0.776   4.123   4.179
  213   HD22  LEU  24          HD22      LEU  24   0.082   5.003   2.916
  214   HD23  LEU  24          HD23      LEU  24   0.407   3.291   3.172
  215    H    LYS  25           HN       LYS  25  -1.509   4.737  -2.095
  216    HA   LYS  25           HA       LYS  25   0.631   3.631  -3.517
  217    HB2  LYS  25           HB2      LYS  25  -1.754   3.556  -4.220
  218    HB3  LYS  25           HB1      LYS  25  -1.653   5.260  -4.642
  219    HG2  LYS  25           HG2      LYS  25   0.013   4.767  -6.338
  220    HG3  LYS  25           HG1      LYS  25  -0.018   3.058  -5.887
  221    HD2  LYS  25           HD2      LYS  25  -2.385   2.947  -6.505
  222    HD3  LYS  25           HD1      LYS  25  -2.341   4.648  -6.967
  223    HE2  LYS  25           HE2      LYS  25  -0.703   2.447  -8.217
  224    HE3  LYS  25           HE1      LYS  25  -2.156   3.162  -8.910
  225    HZ1  LYS  25           HZ1      LYS  25  -0.211   4.137  -9.892
  226    HZ2  LYS  25           HZ2      LYS  25   0.406   4.562  -8.377
  227    HZ3  LYS  25           HZ3      LYS  25  -0.996   5.305  -8.953
  228    H    GLN  26           HN       GLN  26  -0.395   6.997  -3.144
  229    HA   GLN  26           HA       GLN  26   1.490   8.130  -4.918
  230    HB2  GLN  26           HB2      GLN  26  -0.510   9.322  -4.031
  231    HB3  GLN  26           HB1      GLN  26   0.260   9.382  -2.451
  232    HG2  GLN  26           HG2      GLN  26   2.125  10.669  -3.489
  233    HG3  GLN  26           HG1      GLN  26   1.181  10.728  -4.978
  234   HE21  GLN  26          HE21      GLN  26   1.007  12.950  -4.947
  235   HE22  GLN  26          HE22      GLN  26   0.015  13.790  -3.804
  236    H    GLN  27           HN       GLN  27   1.612   7.178  -1.551
  237    HA   GLN  27           HA       GLN  27   4.108   8.420  -0.966
  238    HB2  GLN  27           HB2      GLN  27   2.467   6.297   0.393
  239    HB3  GLN  27           HB1      GLN  27   4.046   6.772   1.002
  240    HG2  GLN  27           HG2      GLN  27   3.309   8.994   1.414
  241    HG3  GLN  27           HG1      GLN  27   1.797   8.715   0.556
  242   HE21  GLN  27          HE21      GLN  27   0.141   7.614   1.583
  243   HE22  GLN  27          HE22      GLN  27   0.157   7.276   3.278
  244    H    VAL  28           HN       VAL  28   3.118   5.297  -2.228
  245    HA   VAL  28           HA       VAL  28   5.610   3.980  -1.892
  246    HB   VAL  28           HB       VAL  28   3.330   3.429  -3.807
  247   HG11  VAL  28          HG11      VAL  28   4.342   1.211  -4.104
  248   HG12  VAL  28          HG12      VAL  28   5.734   1.732  -3.156
  249   HG13  VAL  28          HG13      VAL  28   5.383   2.501  -4.704
  250   HG21  VAL  28          HG21      VAL  28   2.729   3.164  -1.455
  251   HG22  VAL  28          HG22      VAL  28   4.121   2.109  -1.212
  252   HG23  VAL  28          HG23      VAL  28   2.801   1.599  -2.265
  253    H    ASP  29           HN       ASP  29   4.081   5.617  -4.671
  254    HA   ASP  29           HA       ASP  29   6.250   5.299  -6.437
  255    HB2  ASP  29           HB2      ASP  29   3.926   7.188  -6.354
  256    HB3  ASP  29           HB1      ASP  29   5.221   7.448  -7.517
  257    H    SER  30           HN       SER  30   5.522   7.788  -4.048
  258    HA   SER  30           HA       SER  30   7.605   9.553  -4.788
  259    HB2  SER  30           HB2      SER  30   5.620  10.091  -3.292
  260    HB3  SER  30           HB1      SER  30   6.462   9.232  -2.003
  261    HG   SER  30           HG       SER  30   8.223  10.726  -2.331
  262    H    LEU  31           HN       LEU  31   7.434   6.808  -2.587
  263    HA   LEU  31           HA       LEU  31  10.004   7.043  -1.463
  264    HB2  LEU  31           HB2      LEU  31   8.050   5.575  -0.717
  265    HB3  LEU  31           HB1      LEU  31   8.524   4.462  -1.981
  266    HG   LEU  31           HG       LEU  31   9.292   3.866   0.338
  267   HD11  LEU  31          HD11      LEU  31  10.354   2.871  -1.587
  268   HD12  LEU  31          HD12      LEU  31  11.554   3.213  -0.340
  269   HD13  LEU  31          HD13      LEU  31  11.424   4.265  -1.750
  270   HD21  LEU  31          HD21      LEU  31  11.194   6.171  -0.059
  271   HD22  LEU  31          HD22      LEU  31  11.181   5.032   1.288
  272   HD23  LEU  31          HD23      LEU  31   9.835   6.151   1.066
  273    H    LEU  32           HN       LEU  32   8.798   5.219  -4.265
  274    HA   LEU  32           HA       LEU  32  11.216   4.135  -5.123
  275    HB2  LEU  32           HB2      LEU  32   8.828   5.015  -6.744
  276    HB3  LEU  32           HB1      LEU  32  10.126   4.005  -7.349
  277    HG   LEU  32           HG       LEU  32   8.254   3.260  -5.103
  278   HD11  LEU  32          HD11      LEU  32   8.342   2.352  -7.976
  279   HD12  LEU  32          HD12      LEU  32   7.097   3.361  -7.237
  280   HD13  LEU  32          HD13      LEU  32   7.299   1.688  -6.718
  281   HD21  LEU  32          HD21      LEU  32  10.433   2.210  -4.874
  282   HD22  LEU  32          HD22      LEU  32  10.360   1.657  -6.548
  283   HD23  LEU  32          HD23      LEU  32   9.222   1.026  -5.358
  284    H    SER  33           HN       SER  33   9.829   7.314  -5.592
  285    HA   SER  33           HA       SER  33  11.523   8.200  -7.650
  286    HB2  SER  33           HB2      SER  33  10.195   9.832  -5.473
  287    HB3  SER  33           HB1      SER  33  10.842  10.462  -6.989
  288    HG   SER  33           HG       SER  33   8.713   8.588  -6.715
  289    H    GLU  34           HN       GLU  34  11.893   8.186  -4.123
  290    HA   GLU  34           HA       GLU  34  14.368   9.658  -4.219
  291    HB2  GLU  34           HB2      GLU  34  13.058   8.106  -1.986
  292    HB3  GLU  34           HB1      GLU  34  14.553   9.014  -1.818
  293    HG2  GLU  34           HG2      GLU  34  13.257  11.046  -2.565
  294    HG3  GLU  34           HG1      GLU  34  11.799  10.074  -2.359
  295    H    SER  35           HN       SER  35  13.329   6.338  -4.097
  296    HA   SER  35           HA       SER  35  15.840   5.156  -3.546
  297    HB2  SER  35           HB2      SER  35  13.577   4.071  -3.244
  298    HB3  SER  35           HB1      SER  35  13.502   3.887  -4.995
  299    HG   SER  35           HG       SER  35  14.356   2.068  -3.650
  300    H    GLN  36           HN       GLN  36  14.807   6.833  -6.225
  301    HA   GLN  36           HA       GLN  36  16.215   5.158  -8.172
  302    HB2  GLN  36           HB2      GLN  36  13.859   5.937  -8.619
  303    HB3  GLN  36           HB1      GLN  36  14.471   7.581  -8.651
  304    HG2  GLN  36           HG2      GLN  36  14.169   6.674 -10.890
  305    HG3  GLN  36           HG1      GLN  36  15.858   7.061 -10.559
  306   HE21  GLN  36          HE21      GLN  36  13.531   4.499 -10.948
  307   HE22  GLN  36          HE22      GLN  36  14.677   3.233 -11.212
  308    H    LEU  37           HN       LEU  37  16.674   7.719  -6.126
  309    HA   LEU  37           HA       LEU  37  18.217   9.430  -7.838
  310    HB2  LEU  37           HB2      LEU  37  17.926   9.393  -4.835
  311    HB3  LEU  37           HB1      LEU  37  18.700  10.663  -5.761
  312    HG   LEU  37           HG       LEU  37  15.784   9.918  -5.972
  313   HD11  LEU  37          HD11      LEU  37  16.316  10.896  -3.801
  314   HD12  LEU  37          HD12      LEU  37  15.357  11.998  -4.787
  315   HD13  LEU  37          HD13      LEU  37  17.090  12.262  -4.604
  316   HD21  LEU  37          HD21      LEU  37  16.517  10.847  -8.035
  317   HD22  LEU  37          HD22      LEU  37  17.427  12.112  -7.211
  318   HD23  LEU  37          HD23      LEU  37  15.665  12.118  -7.161
  319    H    LYS  38           HN       LYS  38  20.344   9.498  -8.090
  320    HA   LYS  38           HA       LYS  38  21.912   7.235  -7.383
  321    HB2  LYS  38           HB2      LYS  38  22.718   9.894  -8.583
  322    HB3  LYS  38           HB1      LYS  38  23.745   8.469  -8.504
  323    HG2  LYS  38           HG2      LYS  38  22.288   7.259  -9.977
  324    HG3  LYS  38           HG1      LYS  38  21.101   8.562  -9.944
  325    HD2  LYS  38           HD2      LYS  38  22.367   8.642 -12.006
  326    HD3  LYS  38           HD1      LYS  38  22.735  10.054 -11.018
  327    HE2  LYS  38           HE2      LYS  38  24.805   9.001 -10.273
  328    HE3  LYS  38           HE1      LYS  38  24.431   7.568 -11.231
  329    HZ1  LYS  38           HZ1      LYS  38  25.982   9.011 -12.378
  330    HZ2  LYS  38           HZ2      LYS  38  24.888  10.297 -12.310
  331    HZ3  LYS  38           HZ3      LYS  38  24.524   8.923 -13.230
  332    H    GLU  39           HN       GLU  39  21.487  10.431  -6.063
  333    HA   GLU  39           HA       GLU  39  23.727  10.354  -4.294
  334    HB2  GLU  39           HB2      GLU  39  22.647  12.464  -4.997
  335    HB3  GLU  39           HB1      GLU  39  21.193  12.002  -4.126
  336    HG2  GLU  39           HG2      GLU  39  22.446  12.038  -2.027
  337    HG3  GLU  39           HG1      GLU  39  23.897  12.513  -2.905
  338    H    ALA  40           HN       ALA  40  20.648   8.880  -4.302
  339    HA   ALA  40           HA       ALA  40  20.350   8.647  -1.462
  340    HB1  ALA  40           HB1      ALA  40  18.505   7.123  -1.992
  341    HB2  ALA  40           HB2      ALA  40  18.963   7.181  -3.696
  342    HB3  ALA  40           HB3      ALA  40  18.390   8.639  -2.885
  343    H    LEU  41           HN       LEU  41  22.460   7.304  -3.569
  344    HA   LEU  41           HA       LEU  41  22.665   4.647  -2.617
  345    HB2  LEU  41           HB2      LEU  41  23.720   5.416  -4.700
  346    HB3  LEU  41           HB1      LEU  41  24.786   6.459  -3.782
  347    HG   LEU  41           HG       LEU  41  25.780   4.443  -2.722
  348   HD11  LEU  41          HD11      LEU  41  25.349   2.254  -3.742
  349   HD12  LEU  41          HD12      LEU  41  24.061   2.971  -4.711
  350   HD13  LEU  41          HD13      LEU  41  23.917   2.915  -2.954
  351   HD21  LEU  41          HD21      LEU  41  27.057   3.746  -4.684
  352   HD22  LEU  41          HD22      LEU  41  26.835   5.495  -4.652
  353   HD23  LEU  41          HD23      LEU  41  25.860   4.503  -5.735
  354    H    GLU  42           HN       GLU  42  23.347   7.654  -1.232
  355    HA   GLU  42           HA       GLU  42  25.358   7.210   0.601
  356    HB2  GLU  42           HB2      GLU  42  24.339   9.379   0.389
  357    HB3  GLU  42           HB1      GLU  42  22.765   8.746   0.840
  358    HG2  GLU  42           HG2      GLU  42  23.744  10.038   2.640
  359    HG3  GLU  42           HG1      GLU  42  23.561   8.349   3.106
  360    HA   PRO  43           HA       PRO  43  23.765   3.563   2.744
  361    HB2  PRO  43           HB2      PRO  43  25.806   4.500   4.708
  362    HB3  PRO  43           HB1      PRO  43  25.542   2.884   4.047
  363    HG2  PRO  43           HG2      PRO  43  27.558   4.389   3.189
  364    HG3  PRO  43           HG1      PRO  43  26.642   3.365   2.069
  365    HD2  PRO  43           HD2      PRO  43  26.557   6.321   2.445
  366    HD3  PRO  43           HD1      PRO  43  26.342   5.361   0.966
  367    H    ASN  44           HN       ASN  44  24.237   6.740   4.202
  368    HA   ASN  44           HA       ASN  44  22.681   6.206   6.528
  369    HB2  ASN  44           HB2      ASN  44  23.407   8.844   5.223
  370    HB3  ASN  44           HB1      ASN  44  22.604   8.694   6.784
  371   HD21  ASN  44          HD21      ASN  44  25.166   9.913   6.160
  372   HD22  ASN  44          HD22      ASN  44  26.345   9.070   7.102
  373    H    LYS  45           HN       LYS  45  21.942   7.854   3.441
  374    HA   LYS  45           HA       LYS  45  19.232   8.294   4.033
  375    HB2  LYS  45           HB2      LYS  45  20.410   9.528   2.279
  376    HB3  LYS  45           HB1      LYS  45  20.617   8.050   1.354
  377    HG2  LYS  45           HG2      LYS  45  18.824   9.377   0.420
  378    HG3  LYS  45           HG1      LYS  45  18.175   7.883   1.098
  379    HD2  LYS  45           HD2      LYS  45  17.553   9.131   3.144
  380    HD3  LYS  45           HD1      LYS  45  18.119  10.615   2.379
  381    HE2  LYS  45           HE2      LYS  45  15.933   8.843   1.296
  382    HE3  LYS  45           HE1      LYS  45  15.662  10.303   2.244
  383    HZ1  LYS  45           HZ1      LYS  45  16.974  10.153  -0.416
  384    HZ2  LYS  45           HZ2      LYS  45  16.831  11.558   0.507
  385    HZ3  LYS  45           HZ3      LYS  45  15.440  10.793  -0.078
  386    H    ARG  46           HN       ARG  46  20.942   5.583   2.574
  387    HA   ARG  46           HA       ARG  46  18.754   4.149   1.602
  388    HB2  ARG  46           HB2      ARG  46  21.392   3.196   2.712
  389    HB3  ARG  46           HB1      ARG  46  20.203   2.102   2.017
  390    HG2  ARG  46           HG2      ARG  46  20.343   3.287  -0.109
  391    HG3  ARG  46           HG1      ARG  46  21.523   4.401   0.586
  392    HD2  ARG  46           HD2      ARG  46  22.640   2.692  -0.728
  393    HD3  ARG  46           HD1      ARG  46  23.049   2.522   0.977
  394    HE   ARG  46           HE       ARG  46  20.936   0.832   0.614
  395   HH11  ARG  46          HH11      ARG  46  24.065   1.200  -0.908
  396   HH12  ARG  46          HH12      ARG  46  24.230  -0.486  -1.274
  397   HH21  ARG  46          HH21      ARG  46  21.157  -1.399   0.138
  398   HH22  ARG  46          HH22      ARG  46  22.581  -1.955  -0.689
  399    H    GLN  47           HN       GLN  47  20.152   4.230   4.857
  400    HA   GLN  47           HA       GLN  47  18.399   2.297   5.956
  401    HB2  GLN  47           HB2      GLN  47  19.950   4.526   7.276
  402    HB3  GLN  47           HB1      GLN  47  19.090   3.267   8.151
  403    HG2  GLN  47           HG2      GLN  47  21.380   2.833   6.246
  404    HG3  GLN  47           HG1      GLN  47  21.479   2.802   8.005
  405   HE21  GLN  47          HE21      GLN  47  22.091   0.730   6.031
  406   HE22  GLN  47          HE22      GLN  47  21.115  -0.630   6.457
  407    H    HIS  48           HN       HIS  48  18.199   5.762   5.480
  408    HA   HIS  48           HA       HIS  48  15.856   6.199   7.026
  409    HB2  HIS  48           HB2      HIS  48  17.410   8.021   6.277
  410    HB3  HIS  48           HB1      HIS  48  16.846   7.783   4.628
  411    HD1  HIS  48           HD1      HIS  48  15.968   9.424   7.827
  412    HD2  HIS  48           HD2      HIS  48  14.179   8.702   4.146
  413    HE1  HIS  48           HE1      HIS  48  13.989  10.972   7.722
  414    HE2  HIS  48           HE2      HIS  48  13.037  10.647   5.413
  415    H    ILE  49           HN       ILE  49  16.427   5.433   3.616
  416    HA   ILE  49           HA       ILE  49  13.713   5.558   2.804
  417    HB   ILE  49           HB       ILE  49  16.003   3.975   1.612
  418   HG12  ILE  49          HG12      ILE  49  14.842   6.662   0.837
  419   HG13  ILE  49          HG11      ILE  49  16.374   6.418   1.669
  420   HG21  ILE  49          HG21      ILE  49  13.841   3.077   0.925
  421   HG22  ILE  49          HG22      ILE  49  14.650   3.877  -0.421
  422   HG23  ILE  49          HG23      ILE  49  13.325   4.685   0.417
  423   HD11  ILE  49          HD11      ILE  49  17.228   5.212  -0.285
  424   HD12  ILE  49          HD12      ILE  49  16.729   6.856  -0.685
  425   HD13  ILE  49          HD13      ILE  49  15.697   5.492  -1.115
  426    H    TYR  50           HN       TYR  50  15.804   2.849   3.790
  427    HA   TYR  50           HA       TYR  50  14.019   0.771   3.674
  428    HB2  TYR  50           HB2      TYR  50  16.393   0.504   4.205
  429    HB3  TYR  50           HB1      TYR  50  16.155   1.289   5.761
  430    HD1  TYR  50           HD1      TYR  50  16.168  -0.137   7.572
  431    HD2  TYR  50           HD2      TYR  50  14.622  -1.563   3.871
  432    HE1  TYR  50           HE1      TYR  50  15.706  -2.316   8.610
  433    HE2  TYR  50           HE2      TYR  50  14.160  -3.745   4.900
  434    HH   TYR  50           HH       TYR  50  14.150  -4.253   8.219
  435    H    GLN  51           HN       GLN  51  14.371   3.151   6.282
  436    HA   GLN  51           HA       GLN  51  12.538   1.927   8.062
  437    HB2  GLN  51           HB2      GLN  51  14.128   3.577   8.871
  438    HB3  GLN  51           HB1      GLN  51  13.446   4.805   7.814
  439    HG2  GLN  51           HG2      GLN  51  12.768   5.086  10.152
  440    HG3  GLN  51           HG1      GLN  51  11.399   4.830   9.073
  441   HE21  GLN  51          HE21      GLN  51  10.083   4.166  10.730
  442   HE22  GLN  51          HE22      GLN  51  10.248   2.627  11.496
  443    H    ARG  52           HN       ARG  52  12.129   4.503   5.646
  444    HA   ARG  52           HA       ARG  52   9.379   4.909   6.204
  445    HB2  ARG  52           HB2      ARG  52  11.053   5.573   3.785
  446    HB3  ARG  52           HB1      ARG  52   9.361   6.029   3.938
  447    HG2  ARG  52           HG2      ARG  52  11.585   6.882   5.781
  448    HG3  ARG  52           HG1      ARG  52  10.859   7.868   4.510
  449    HD2  ARG  52           HD2      ARG  52   8.653   7.563   5.690
  450    HD3  ARG  52           HD1      ARG  52   9.551   6.838   7.025
  451    HE   ARG  52           HE       ARG  52  10.687   9.335   6.399
  452   HH11  ARG  52          HH11      ARG  52   7.792   7.985   7.846
  453   HH12  ARG  52          HH12      ARG  52   7.442   9.409   8.771
  454   HH21  ARG  52          HH21      ARG  52  10.231  11.210   7.634
  455   HH22  ARG  52          HH22      ARG  52   8.841  11.230   8.670
  456    H    CYS  53           HN       CYS  53  11.111   2.734   4.123
  457    HA   CYS  53           HA       CYS  53   8.895   1.902   2.548
  458    HB2  CYS  53           HB2      CYS  53  11.296   1.520   1.932
  459    HB3  CYS  53           HB1      CYS  53  11.382   0.299   3.203
  460    HG   CYS  53           HG       CYS  53   9.070  -1.029   1.850
  461    H    ILE  54           HN       ILE  54  10.418   0.573   5.467
  462    HA   ILE  54           HA       ILE  54   8.699  -1.563   5.927
  463    HB   ILE  54           HB       ILE  54  10.112   0.215   7.911
  464   HG12  ILE  54          HG12      ILE  54  10.763  -2.549   6.858
  465   HG13  ILE  54          HG11      ILE  54  11.594  -1.057   6.413
  466   HG21  ILE  54          HG21      ILE  54   8.207  -0.864   8.983
  467   HG22  ILE  54          HG22      ILE  54   9.732  -1.525   9.575
  468   HG23  ILE  54          HG23      ILE  54   8.768  -2.436   8.411
  469   HD11  ILE  54          HD11      ILE  54  12.876  -2.329   8.031
  470   HD12  ILE  54          HD12      ILE  54  11.520  -2.293   9.156
  471   HD13  ILE  54          HD13      ILE  54  12.346  -0.796   8.723
  472    H    GLN  55           HN       GLN  55   8.399   1.822   6.894
  473    HA   GLN  55           HA       GLN  55   6.134   1.538   8.515
  474    HB2  GLN  55           HB2      GLN  55   7.679   3.549   8.312
  475    HB3  GLN  55           HB1      GLN  55   6.772   3.981   6.870
  476    HG2  GLN  55           HG2      GLN  55   4.710   4.017   8.252
  477    HG3  GLN  55           HG1      GLN  55   5.716   3.753   9.674
  478   HE21  GLN  55          HE21      GLN  55   3.993   5.974   9.103
  479   HE22  GLN  55          HE22      GLN  55   4.990   7.387   9.085
  480    H    LEU  56           HN       LEU  56   6.357   2.527   5.093
  481    HA   LEU  56           HA       LEU  56   3.631   2.681   4.599
  482    HB2  LEU  56           HB2      LEU  56   5.768   1.835   2.638
  483    HB3  LEU  56           HB1      LEU  56   4.190   2.473   2.231
  484    HG   LEU  56           HG       LEU  56   6.413   3.983   3.612
  485   HD11  LEU  56          HD11      LEU  56   5.289   4.184   0.822
  486   HD12  LEU  56          HD12      LEU  56   6.891   3.601   1.278
  487   HD13  LEU  56          HD13      LEU  56   6.463   5.293   1.532
  488   HD21  LEU  56          HD21      LEU  56   4.973   5.952   3.335
  489   HD22  LEU  56          HD22      LEU  56   4.250   4.750   4.402
  490   HD23  LEU  56          HD23      LEU  56   3.677   4.914   2.742
  491    H    LYS  57           HN       LYS  57   5.792  -0.118   4.429
  492    HA   LYS  57           HA       LYS  57   4.001  -1.915   3.249
  493    HB2  LYS  57           HB2      LYS  57   6.285  -2.553   3.387
  494    HB3  LYS  57           HB1      LYS  57   6.320  -2.328   5.130
  495    HG2  LYS  57           HG2      LYS  57   5.045  -4.282   5.505
  496    HG3  LYS  57           HG1      LYS  57   4.622  -4.418   3.800
  497    HD2  LYS  57           HD2      LYS  57   6.777  -5.114   3.201
  498    HD3  LYS  57           HD1      LYS  57   7.478  -4.542   4.714
  499    HE2  LYS  57           HE2      LYS  57   7.215  -7.044   4.491
  500    HE3  LYS  57           HE1      LYS  57   6.531  -6.322   5.943
  501    HZ1  LYS  57           HZ1      LYS  57   4.349  -6.396   4.901
  502    HZ2  LYS  57           HZ2      LYS  57   5.032  -7.936   4.983
  503    HZ3  LYS  57           HZ3      LYS  57   5.012  -7.105   3.513
  504    H    GLN  58           HN       GLN  58   4.589  -1.174   6.655
  505    HA   GLN  58           HA       GLN  58   2.634  -2.917   7.699
  506    HB2  GLN  58           HB2      GLN  58   3.849  -0.401   8.830
  507    HB3  GLN  58           HB1      GLN  58   2.754  -1.439   9.731
  508    HG2  GLN  58           HG2      GLN  58   4.321  -3.297   9.502
  509    HG3  GLN  58           HG1      GLN  58   5.419  -2.255   8.593
  510   HE21  GLN  58          HE21      GLN  58   7.056  -2.517  10.104
  511   HE22  GLN  58          HE22      GLN  58   7.005  -1.767  11.662
  512    H    ALA  59           HN       ALA  59   2.455   0.374   6.490
  513    HA   ALA  59           HA       ALA  59  -0.137   0.954   7.478
  514    HB1  ALA  59           HB1      ALA  59   1.438   2.698   6.799
  515    HB2  ALA  59           HB2      ALA  59  -0.091   2.836   5.932
  516    HB3  ALA  59           HB3      ALA  59   1.320   2.153   5.126
  517    H    ILE  60           HN       ILE  60   1.071  -0.420   4.457
  518    HA   ILE  60           HA       ILE  60  -1.455  -0.524   3.159
  519    HB   ILE  60           HB       ILE  60   0.989  -2.239   2.669
  520   HG12  ILE  60          HG12      ILE  60   0.102   0.280   1.247
  521   HG13  ILE  60          HG11      ILE  60   1.355   0.237   2.485
  522   HG21  ILE  60          HG21      ILE  60  -1.382  -1.648   0.898
  523   HG22  ILE  60          HG22      ILE  60  -1.064  -3.176   1.718
  524   HG23  ILE  60          HG23      ILE  60   0.030  -2.609   0.456
  525   HD11  ILE  60          HD11      ILE  60   2.681  -1.249   1.077
  526   HD12  ILE  60          HD12      ILE  60   2.315   0.271   0.261
  527   HD13  ILE  60          HD13      ILE  60   1.427  -1.194  -0.158
  528    H    ASP  61           HN       ASP  61   0.389  -2.776   5.143
  529    HA   ASP  61           HA       ASP  61  -1.302  -5.012   4.978
  530    HB2  ASP  61           HB2      ASP  61   0.970  -5.067   5.977
  531    HB3  ASP  61           HB1      ASP  61   0.390  -4.098   7.330
  532    H    GLU  62           HN       GLU  62  -1.367  -2.170   7.013
  533    HA   GLU  62           HA       GLU  62  -3.511  -2.853   8.681
  534    HB2  GLU  62           HB2      GLU  62  -2.026  -0.945   9.093
  535    HB3  GLU  62           HB1      GLU  62  -2.672  -0.128   7.677
  536    HG2  GLU  62           HG2      GLU  62  -3.635   0.773   9.701
  537    HG3  GLU  62           HG1      GLU  62  -4.865  -0.033   8.730
  538    H    ASN  63           HN       ASN  63  -3.482  -1.114   5.569
  539    HA   ASN  63           HA       ASN  63  -6.281  -0.800   5.374
  540    HB2  ASN  63           HB2      ASN  63  -4.070  -0.795   3.332
  541    HB3  ASN  63           HB1      ASN  63  -5.756  -0.682   2.840
  542   HD21  ASN  63          HD21      ASN  63  -5.424   1.390   1.997
  543   HD22  ASN  63          HD22      ASN  63  -5.232   2.768   3.029
  544    H    LYS  64           HN       LYS  64  -4.097  -3.346   4.291
  545    HA   LYS  64           HA       LYS  64  -5.902  -4.951   2.907
  546    HB2  LYS  64           HB2      LYS  64  -3.485  -5.322   2.915
  547    HB3  LYS  64           HB1      LYS  64  -3.538  -5.751   4.616
  548    HG2  LYS  64           HG2      LYS  64  -4.881  -7.721   4.078
  549    HG3  LYS  64           HG1      LYS  64  -4.824  -7.287   2.367
  550    HD2  LYS  64           HD2      LYS  64  -2.396  -7.493   2.381
  551    HD3  LYS  64           HD1      LYS  64  -2.426  -7.872   4.103
  552    HE2  LYS  64           HE2      LYS  64  -3.688  -9.904   3.652
  553    HE3  LYS  64           HE1      LYS  64  -3.719  -9.519   1.931
  554    HZ1  LYS  64           HZ1      LYS  64  -1.329  -9.712   1.866
  555    HZ2  LYS  64           HZ2      LYS  64  -1.998 -11.135   2.481
  556    HZ3  LYS  64           HZ3      LYS  64  -1.264 -10.026   3.526
  557    H    ASN  65           HN       ASN  65  -5.111  -4.900   6.370
  558    HA   ASN  65           HA       ASN  65  -6.893  -6.987   7.081
  559    HB2  ASN  65           HB2      ASN  65  -5.437  -4.871   8.614
  560    HB3  ASN  65           HB1      ASN  65  -6.692  -5.805   9.414
  561   HD21  ASN  65          HD21      ASN  65  -6.150  -8.238   7.913
  562   HD22  ASN  65          HD22      ASN  65  -4.666  -8.865   8.537
  563    H    ALA  66           HN       ALA  66  -7.231  -3.483   6.923
  564    HA   ALA  66           HA       ALA  66  -9.797  -3.305   8.055
  565    HB1  ALA  66           HB1      ALA  66  -9.950  -1.140   6.939
  566    HB2  ALA  66           HB2      ALA  66  -8.552  -1.548   5.941
  567    HB3  ALA  66           HB3      ALA  66  -8.366  -1.355   7.686
  568    H    LEU  67           HN       LEU  67  -8.746  -3.649   4.680
  569    HA   LEU  67           HA       LEU  67 -11.334  -3.759   3.573
  570    HB2  LEU  67           HB2      LEU  67  -9.349  -3.292   2.238
  571    HB3  LEU  67           HB1      LEU  67  -8.737  -4.905   2.549
  572    HG   LEU  67           HG       LEU  67 -10.549  -5.882   1.260
  573   HD11  LEU  67          HD11      LEU  67 -11.493  -3.043   0.950
  574   HD12  LEU  67          HD12      LEU  67 -12.358  -4.390   1.689
  575   HD13  LEU  67          HD13      LEU  67 -12.055  -4.381  -0.046
  576   HD21  LEU  67          HD21      LEU  67  -8.552  -5.275   0.052
  577   HD22  LEU  67          HD22      LEU  67  -9.148  -3.630  -0.164
  578   HD23  LEU  67          HD23      LEU  67  -9.968  -4.974  -0.958
  579    H    GLN  68           HN       GLN  68  -9.148  -6.272   4.776
  580    HA   GLN  68           HA       GLN  68 -10.649  -8.504   4.108
  581    HB2  GLN  68           HB2      GLN  68  -8.362  -8.549   5.060
  582    HB3  GLN  68           HB1      GLN  68  -9.023  -8.093   6.623
  583    HG2  GLN  68           HG2      GLN  68 -10.315 -10.166   6.678
  584    HG3  GLN  68           HG1      GLN  68  -9.637 -10.625   5.117
  585   HE21  GLN  68          HE21      GLN  68  -8.703 -12.473   5.939
  586   HE22  GLN  68          HE22      GLN  68  -7.314 -12.432   6.966
  587    H    LYS  69           HN       LYS  69 -11.112  -6.209   6.730
  588    HA   LYS  69           HA       LYS  69 -13.174  -7.769   7.990
  589    HB2  LYS  69           HB2      LYS  69 -11.760  -6.027   9.165
  590    HB3  LYS  69           HB1      LYS  69 -12.669  -4.800   8.295
  591    HG2  LYS  69           HG2      LYS  69 -13.537  -5.086  10.537
  592    HG3  LYS  69           HG1      LYS  69 -14.734  -5.590   9.342
  593    HD2  LYS  69           HD2      LYS  69 -14.134  -7.923   9.706
  594    HD3  LYS  69           HD1      LYS  69 -12.887  -7.439  10.854
  595    HE2  LYS  69           HE2      LYS  69 -14.639  -6.462  12.291
  596    HE3  LYS  69           HE1      LYS  69 -15.862  -7.031  11.155
  597    HZ1  LYS  69           HZ1      LYS  69 -15.614  -8.548  13.009
  598    HZ2  LYS  69           HZ2      LYS  69 -13.972  -8.750  12.667
  599    HZ3  LYS  69           HZ3      LYS  69 -15.133  -9.298  11.571
  600    H    LEU  70           HN       LEU  70 -12.951  -5.382   5.503
  601    HA   LEU  70           HA       LEU  70 -15.841  -5.086   5.316
  602    HB2  LEU  70           HB2      LEU  70 -13.664  -3.875   3.608
  603    HB3  LEU  70           HB1      LEU  70 -15.360  -3.435   3.591
  604    HG   LEU  70           HG       LEU  70 -13.470  -3.026   5.910
  605   HD11  LEU  70          HD11      LEU  70 -14.667  -1.059   3.966
  606   HD12  LEU  70          HD12      LEU  70 -12.972  -1.539   4.054
  607   HD13  LEU  70          HD13      LEU  70 -13.707  -0.646   5.386
  608   HD21  LEU  70          HD21      LEU  70 -15.722  -3.420   6.694
  609   HD22  LEU  70          HD22      LEU  70 -16.360  -2.247   5.542
  610   HD23  LEU  70          HD23      LEU  70 -15.324  -1.709   6.865
  611    H    SER  71           HN       SER  71 -14.879  -7.701   4.850
  612    HA   SER  71           HA       SER  71 -14.861  -8.090   1.975
  613    HB2  SER  71           HB2      SER  71 -14.816 -10.111   4.237
  614    HB3  SER  71           HB1      SER  71 -14.627 -10.497   2.526
  615    HG   SER  71           HG       SER  71 -12.844  -9.329   4.307
  616    H    LYS  72           HN       LYS  72 -17.188  -6.979   3.445
  617    HA   LYS  72           HA       LYS  72 -19.238  -9.011   3.165
  618    HB2  LYS  72           HB2      LYS  72 -19.592  -6.046   3.701
  619    HB3  LYS  72           HB1      LYS  72 -20.774  -7.315   3.977
  620    HG2  LYS  72           HG2      LYS  72 -19.359  -8.258   5.759
  621    HG3  LYS  72           HG1      LYS  72 -18.170  -6.979   5.484
  622    HD2  LYS  72           HD2      LYS  72 -19.903  -5.299   6.038
  623    HD3  LYS  72           HD1      LYS  72 -21.031  -6.607   6.391
  624    HE2  LYS  72           HE2      LYS  72 -20.042  -5.742   8.438
  625    HE3  LYS  72           HE1      LYS  72 -19.543  -7.408   8.163
  626    HZ1  LYS  72           HZ1      LYS  72 -17.429  -6.615   7.330
  627    HZ2  LYS  72           HZ2      LYS  72 -17.706  -6.005   8.879
  628    HZ3  LYS  72           HZ3      LYS  72 -17.917  -5.006   7.535
  629    H    ALA  73           HN       ALA  73 -19.431  -9.509   0.994
  630    HA   ALA  73           HA       ALA  73 -19.328  -7.594  -1.080
  631    HB1  ALA  73           HB1      ALA  73 -20.626 -10.313  -1.132
  632    HB2  ALA  73           HB2      ALA  73 -18.907 -10.008  -1.384
  633    HB3  ALA  73           HB3      ALA  73 -20.091  -9.370  -2.523
  634    H    ASP  74           HN       ASP  74 -21.822  -8.626   1.044
  635    HA   ASP  74           HA       ASP  74 -24.008  -7.773  -0.615
  636    HB2  ASP  74           HB2      ASP  74 -23.897  -8.711   2.251
  637    HB3  ASP  74           HB1      ASP  74 -25.385  -8.286   1.420
  638    H    GLU  75           HN       GLU  75 -21.791  -5.995   0.909
  639    HA   GLU  75           HA       GLU  75 -23.196  -4.290   2.611
  640    HB2  GLU  75           HB2      GLU  75 -21.349  -2.701   2.300
  641    HB3  GLU  75           HB1      GLU  75 -20.779  -4.337   2.593
  642    HG2  GLU  75           HG2      GLU  75 -20.496  -4.556   0.099
  643    HG3  GLU  75           HG1      GLU  75 -20.796  -2.821   0.001
  644    H    SER  76           HN       SER  76 -23.042  -4.325  -0.879
  645    HA   SER  76           HA       SER  76 -25.227  -2.418  -0.918
  646    HB2  SER  76           HB2      SER  76 -22.770  -1.862  -2.588
  647    HB3  SER  76           HB1      SER  76 -24.216  -0.864  -2.445
  648    HG   SER  76           HG       SER  76 -23.319  -1.203   0.000
  649    H    ALA  77           HN       ALA  77 -25.191  -5.138  -1.479
  650    HA   ALA  77           HA       ALA  77 -25.940  -6.667  -2.978
  651    HB1  ALA  77           HB1      ALA  77 -27.635  -4.973  -3.462
  652    HB2  ALA  77           HB2      ALA  77 -27.222  -5.913  -4.894
  653    HB3  ALA  77           HB3      ALA  77 -26.587  -4.280  -4.698
  654    HA   PRO  78           HA       PRO  78 -22.080  -6.824  -5.307
  655    HB2  PRO  78           HB2      PRO  78 -21.636  -9.452  -5.018
  656    HB3  PRO  78           HB1      PRO  78 -21.394  -8.326  -3.680
  657    HG2  PRO  78           HG2      PRO  78 -23.638 -10.217  -4.188
  658    HG3  PRO  78           HG1      PRO  78 -22.886  -9.748  -2.653
  659    HD2  PRO  78           HD2      PRO  78 -25.274  -8.723  -3.666
  660    HD3  PRO  78           HD1      PRO  78 -24.295  -7.981  -2.395
  661    H    VAL  79           HN       VAL  79 -23.813  -6.329  -7.053
  662    HA   VAL  79           HA       VAL  79 -25.028  -8.362  -8.534
  663    HB   VAL  79           HB       VAL  79 -24.128  -5.649  -9.501
  664   HG11  VAL  79          HG11      VAL  79 -26.149  -7.557 -10.664
  665   HG12  VAL  79          HG12      VAL  79 -24.584  -7.144 -11.365
  666   HG13  VAL  79          HG13      VAL  79 -25.842  -5.917 -11.230
  667   HG21  VAL  79          HG21      VAL  79 -26.447  -4.979  -9.060
  668   HG22  VAL  79          HG22      VAL  79 -25.604  -5.477  -7.594
  669   HG23  VAL  79          HG23      VAL  79 -26.757  -6.568  -8.361
  670    H    ALA  80           HN       ALA  80 -22.108  -6.513  -9.479
  671    HA   ALA  80           HA       ALA  80 -20.783  -8.904 -10.324
  672    HB1  ALA  80           HB1      ALA  80 -22.269  -8.622 -12.215
  673    HB2  ALA  80           HB2      ALA  80 -20.600  -8.319 -12.692
  674    HB3  ALA  80           HB3      ALA  80 -21.704  -6.969 -12.437
  675    H    ASN  81           HN       ASN  81 -20.688  -5.475 -11.329
  676    HA   ASN  81           HA       ASN  81 -17.865  -5.394 -11.350
  677    HB2  ASN  81           HB2      ASN  81 -19.237  -3.838 -12.685
  678    HB3  ASN  81           HB1      ASN  81 -19.820  -3.083 -11.203
  679   HD21  ASN  81          HD21      ASN  81 -18.531  -1.648 -10.121
  680   HD22  ASN  81          HD22      ASN  81 -17.025  -1.073 -10.746
  681    H    TYR  82           HN       TYR  82 -20.191  -4.849  -8.843
  682    HA   TYR  82           HA       TYR  82 -18.631  -3.306  -7.087
  683    HB2  TYR  82           HB2      TYR  82 -21.163  -3.988  -6.967
  684    HB3  TYR  82           HB1      TYR  82 -20.565  -5.385  -6.074
  685    HD1  TYR  82           HD1      TYR  82 -19.223  -4.976  -3.972
  686    HD2  TYR  82           HD2      TYR  82 -21.441  -1.884  -5.892
  687    HE1  TYR  82           HE1      TYR  82 -19.188  -3.665  -1.896
  688    HE2  TYR  82           HE2      TYR  82 -21.395  -0.567  -3.820
  689    HH   TYR  82           HH       TYR  82 -19.362  -1.186  -1.276
  690    H    ASN  83           HN       ASN  83 -18.852  -6.793  -7.598
  691    HA   ASN  83           HA       ASN  83 -17.116  -7.494  -5.449
  692    HB2  ASN  83           HB2      ASN  83 -18.081  -8.984  -7.885
  693    HB3  ASN  83           HB1      ASN  83 -16.925  -9.691  -6.760
  694   HD21  ASN  83          HD21      ASN  83 -19.672 -10.486  -7.430
  695   HD22  ASN  83          HD22      ASN  83 -20.526 -10.512  -5.929
  696    H    GLN  84           HN       GLN  84 -16.694  -6.731  -8.834
  697    HA   GLN  84           HA       GLN  84 -13.980  -7.470  -9.071
  698    HB2  GLN  84           HB2      GLN  84 -15.656  -6.896 -10.936
  699    HB3  GLN  84           HB1      GLN  84 -15.304  -5.216 -10.582
  700    HG2  GLN  84           HG2      GLN  84 -13.170  -7.200 -11.312
  701    HG3  GLN  84           HG1      GLN  84 -14.053  -6.260 -12.509
  702   HE21  GLN  84          HE21      GLN  84 -14.216  -3.874 -10.909
  703   HE22  GLN  84          HE22      GLN  84 -12.627  -3.191 -10.829
  704    H    ARG  85           HN       ARG  85 -15.591  -4.443  -8.198
  705    HA   ARG  85           HA       ARG  85 -13.276  -2.844  -8.067
  706    HB2  ARG  85           HB2      ARG  85 -15.576  -1.939  -8.189
  707    HB3  ARG  85           HB1      ARG  85 -15.878  -2.510  -6.554
  708    HG2  ARG  85           HG2      ARG  85 -14.213  -0.997  -5.678
  709    HG3  ARG  85           HG1      ARG  85 -13.778  -0.487  -7.308
  710    HD2  ARG  85           HD2      ARG  85 -15.196   1.192  -6.384
  711    HD3  ARG  85           HD1      ARG  85 -16.126   0.318  -7.598
  712    HE   ARG  85           HE       ARG  85 -16.625  -0.884  -5.141
  713   HH11  ARG  85          HH11      ARG  85 -17.193   2.167  -6.741
  714   HH12  ARG  85          HH12      ARG  85 -18.586   2.560  -5.786
  715   HH21  ARG  85          HH21      ARG  85 -18.463  -0.364  -3.862
  716   HH22  ARG  85          HH22      ARG  85 -19.313   1.126  -4.142
  717    H    LYS  86           HN       LYS  86 -14.921  -4.831  -5.671
  718    HA   LYS  86           HA       LYS  86 -13.254  -4.077  -3.488
  719    HB2  LYS  86           HB2      LYS  86 -15.472  -4.997  -3.122
  720    HB3  LYS  86           HB1      LYS  86 -15.026  -6.490  -3.936
  721    HG2  LYS  86           HG2      LYS  86 -13.410  -6.974  -2.135
  722    HG3  LYS  86           HG1      LYS  86 -13.900  -5.484  -1.314
  723    HD2  LYS  86           HD2      LYS  86 -15.691  -7.848  -1.910
  724    HD3  LYS  86           HD1      LYS  86 -14.992  -7.451  -0.345
  725    HE2  LYS  86           HE2      LYS  86 -16.941  -5.731  -1.887
  726    HE3  LYS  86           HE1      LYS  86 -17.334  -6.747  -0.505
  727    HZ1  LYS  86           HZ1      LYS  86 -15.411  -4.495  -0.416
  728    HZ2  LYS  86           HZ2      LYS  86 -15.952  -5.409   0.897
  729    HZ3  LYS  86           HZ3      LYS  86 -17.027  -4.385   0.071
  730    H    GLU  87           HN       GLU  87 -13.152  -6.539  -5.952
  731    HA   GLU  87           HA       GLU  87 -11.087  -8.128  -4.832
  732    HB2  GLU  87           HB2      GLU  87 -12.662  -9.000  -6.473
  733    HB3  GLU  87           HB1      GLU  87 -12.075  -7.859  -7.672
  734    HG2  GLU  87           HG2      GLU  87  -9.913  -8.950  -7.684
  735    HG3  GLU  87           HG1      GLU  87 -10.458 -10.070  -6.435
  736    H    GLU  88           HN       GLU  88 -11.104  -5.529  -7.260
  737    HA   GLU  88           HA       GLU  88  -8.398  -5.850  -7.973
  738    HB2  GLU  88           HB2      GLU  88  -8.562  -3.729  -9.118
  739    HB3  GLU  88           HB1      GLU  88  -9.993  -4.693  -9.422
  740    HG2  GLU  88           HG2      GLU  88 -11.283  -3.349  -7.914
  741    HG3  GLU  88           HG1      GLU  88  -9.844  -2.460  -7.414
  742    H    GLU  89           HN       GLU  89  -9.921  -4.012  -5.400
  743    HA   GLU  89           HA       GLU  89  -7.666  -2.503  -4.649
  744    HB2  GLU  89           HB2      GLU  89  -9.863  -3.605  -2.883
  745    HB3  GLU  89           HB1      GLU  89  -8.696  -2.384  -2.402
  746    HG2  GLU  89           HG2      GLU  89 -10.822  -2.129  -4.512
  747    HG3  GLU  89           HG1      GLU  89 -10.756  -1.310  -2.952
  748    H    HIS  90           HN       HIS  90  -8.662  -5.802  -3.889
  749    HA   HIS  90           HA       HIS  90  -6.607  -6.426  -2.059
  750    HB2  HIS  90           HB2      HIS  90  -8.380  -8.042  -3.842
  751    HB3  HIS  90           HB1      HIS  90  -6.954  -8.825  -3.178
  752    HD1  HIS  90           HD1      HIS  90  -6.915  -9.291  -0.651
  753    HD2  HIS  90           HD2      HIS  90 -10.416  -7.496  -1.986
  754    HE1  HIS  90           HE1      HIS  90  -8.555  -9.541   1.227
  755    HE2  HIS  90           HE2      HIS  90 -10.723  -8.639   0.310
  756    H    THR  91           HN       THR  91  -6.787  -6.679  -5.578
  757    HA   THR  91           HA       THR  91  -4.281  -7.851  -6.016
  758    HB   THR  91           HB       THR  91  -5.652  -5.916  -7.885
  759    HG1  THR  91           HG1      THR  91  -7.054  -7.496  -8.408
  760   HG21  THR  91          HG21      THR  91  -3.421  -6.689  -8.565
  761   HG22  THR  91          HG22      THR  91  -4.677  -7.316  -9.630
  762   HG23  THR  91          HG23      THR  91  -3.957  -8.361  -8.405
  763    H    LEU  92           HN       LEU  92  -5.264  -4.481  -5.642
  764    HA   LEU  92           HA       LEU  92  -2.787  -3.362  -6.498
  765    HB2  LEU  92           HB2      LEU  92  -4.824  -2.056  -6.600
  766    HB3  LEU  92           HB1      LEU  92  -5.048  -2.197  -4.870
  767    HG   LEU  92           HG       LEU  92  -2.988  -0.869  -4.518
  768   HD11  LEU  92          HD11      LEU  92  -1.808  -1.393  -6.563
  769   HD12  LEU  92          HD12      LEU  92  -2.029   0.352  -6.425
  770   HD13  LEU  92          HD13      LEU  92  -3.051  -0.583  -7.517
  771   HD21  LEU  92          HD21      LEU  92  -3.939   1.275  -5.193
  772   HD22  LEU  92          HD22      LEU  92  -5.175   0.209  -4.526
  773   HD23  LEU  92          HD23      LEU  92  -5.061   0.444  -6.270
  774    H    LEU  93           HN       LEU  93  -4.249  -3.943  -3.310
  775    HA   LEU  93           HA       LEU  93  -2.134  -2.824  -1.832
  776    HB2  LEU  93           HB2      LEU  93  -4.162  -4.900  -0.999
  777    HB3  LEU  93           HB1      LEU  93  -3.097  -4.044   0.097
  778    HG   LEU  93           HG       LEU  93  -5.203  -2.737  -1.626
  779   HD11  LEU  93          HD11      LEU  93  -5.190  -3.341   1.329
  780   HD12  LEU  93          HD12      LEU  93  -6.200  -4.122   0.113
  781   HD13  LEU  93          HD13      LEU  93  -6.417  -2.409   0.471
  782   HD21  LEU  93          HD21      LEU  93  -4.745  -0.761  -0.245
  783   HD22  LEU  93          HD22      LEU  93  -3.326  -1.263  -1.163
  784   HD23  LEU  93          HD23      LEU  93  -3.439  -1.634   0.557
  785    H    ASP  94           HN       ASP  94  -2.651  -6.055  -3.112
  786    HA   ASP  94           HA       ASP  94  -0.599  -7.286  -1.569
  787    HB2  ASP  94           HB2      ASP  94  -2.336  -8.649  -2.628
  788    HB3  ASP  94           HB1      ASP  94  -1.788  -8.139  -4.224
  789    H    LYS  95           HN       LYS  95  -0.671  -6.018  -4.917
  790    HA   LYS  95           HA       LYS  95   1.962  -6.486  -5.581
  791    HB2  LYS  95           HB2      LYS  95   0.400  -5.807  -7.243
  792    HB3  LYS  95           HB1      LYS  95  -0.002  -4.338  -6.368
  793    HG2  LYS  95           HG2      LYS  95   2.334  -3.540  -6.805
  794    HG3  LYS  95           HG1      LYS  95   2.542  -4.947  -7.858
  795    HD2  LYS  95           HD2      LYS  95   0.780  -4.216  -9.297
  796    HD3  LYS  95           HD1      LYS  95   0.320  -2.933  -8.177
  797    HE2  LYS  95           HE2      LYS  95   2.479  -1.837  -8.561
  798    HE3  LYS  95           HE1      LYS  95   2.922  -3.117  -9.692
  799    HZ1  LYS  95           HZ1      LYS  95   1.091  -2.478 -11.104
  800    HZ2  LYS  95           HZ2      LYS  95   2.083  -1.140 -10.820
  801    HZ3  LYS  95           HZ3      LYS  95   0.609  -1.283 -10.008
  802    H    LEU  96           HN       LEU  96   0.576  -3.528  -4.161
  803    HA   LEU  96           HA       LEU  96   2.959  -2.111  -3.949
  804    HB2  LEU  96           HB2      LEU  96   0.594  -1.969  -2.077
  805    HB3  LEU  96           HB1      LEU  96   1.857  -0.764  -2.228
  806    HG   LEU  96           HG       LEU  96  -0.115  -1.506  -4.389
  807   HD11  LEU  96          HD11      LEU  96   0.095   0.946  -2.650
  808   HD12  LEU  96          HD12      LEU  96  -1.167  -0.284  -2.573
  809   HD13  LEU  96          HD13      LEU  96  -1.016   0.739  -4.003
  810   HD21  LEU  96          HD21      LEU  96   2.017  -0.828  -5.333
  811   HD22  LEU  96          HD22      LEU  96   2.031   0.610  -4.312
  812   HD23  LEU  96          HD23      LEU  96   0.811   0.437  -5.572
  813    H    THR  97           HN       THR  97   1.454  -4.266  -1.545
  814    HA   THR  97           HA       THR  97   3.426  -4.092   0.420
  815    HB   THR  97           HB       THR  97   1.805  -6.546  -0.307
  816    HG1  THR  97           HG1      THR  97   0.378  -4.900   0.144
  817   HG21  THR  97          HG21      THR  97   3.699  -6.989   1.213
  818   HG22  THR  97          HG22      THR  97   2.140  -7.206   2.009
  819   HG23  THR  97          HG23      THR  97   3.088  -5.750   2.308
  820    H    GLN  98           HN       GLN  98   3.204  -6.247  -2.391
  821    HA   GLN  98           HA       GLN  98   5.463  -7.817  -1.813
  822    HB2  GLN  98           HB2      GLN  98   3.757  -8.511  -3.413
  823    HB3  GLN  98           HB1      GLN  98   4.168  -7.165  -4.466
  824    HG2  GLN  98           HG2      GLN  98   6.420  -8.126  -4.756
  825    HG3  GLN  98           HG1      GLN  98   5.926  -9.508  -3.780
  826   HE21  GLN  98          HE21      GLN  98   6.817  -9.420  -6.547
  827   HE22  GLN  98          HE22      GLN  98   5.539 -10.111  -7.484
  828    H    GLN  99           HN       GLN  99   5.052  -4.948  -3.843
  829    HA   GLN  99           HA       GLN  99   7.653  -4.886  -4.893
  830    HB2  GLN  99           HB2      GLN  99   5.810  -3.659  -5.893
  831    HB3  GLN  99           HB1      GLN  99   5.671  -2.649  -4.463
  832    HG2  GLN  99           HG2      GLN  99   7.776  -1.614  -4.904
  833    HG3  GLN  99           HG1      GLN  99   8.117  -2.751  -6.209
  834   HE21  GLN  99          HE21      GLN  99   6.215  -0.007  -5.226
  835   HE22  GLN  99          HE22      GLN  99   5.693   0.449  -6.810
  836    H    LEU 100           HN       LEU 100   6.268  -3.375  -2.010
  837    HA   LEU 100           HA       LEU 100   8.638  -1.932  -1.354
  838    HB2  LEU 100           HB2      LEU 100   6.238  -2.688   0.305
  839    HB3  LEU 100           HB1      LEU 100   7.542  -1.674   0.890
  840    HG   LEU 100           HG       LEU 100   5.664  -1.032  -1.385
  841   HD11  LEU 100          HD11      LEU 100   5.981   0.152   1.366
  842   HD12  LEU 100          HD12      LEU 100   4.643  -0.851   0.808
  843   HD13  LEU 100          HD13      LEU 100   4.899   0.747   0.108
  844   HD21  LEU 100          HD21      LEU 100   6.772   1.173  -1.380
  845   HD22  LEU 100          HD22      LEU 100   7.852  -0.130  -1.874
  846   HD23  LEU 100          HD23      LEU 100   7.971   0.545  -0.248
  847    H    GLN 101           HN       GLN 101   7.271  -5.024  -0.330
  848    HA   GLN 101           HA       GLN 101   9.125  -5.578   1.706
  849    HB2  GLN 101           HB2      GLN 101   6.979  -6.772   1.409
  850    HB3  GLN 101           HB1      GLN 101   7.601  -7.521  -0.051
  851    HG2  GLN 101           HG2      GLN 101   9.025  -7.888   2.552
  852    HG3  GLN 101           HG1      GLN 101   7.587  -8.835   2.182
  853   HE21  GLN 101          HE21      GLN 101  10.359  -9.692   2.566
  854   HE22  GLN 101          HE22      GLN 101  10.813 -10.516   1.111
  855    H    GLY 102           HN       GLY 102   9.131  -6.396  -1.758
  856    HA2  GLY 102           HA2      GLY 102  11.599  -7.782  -1.729
  857    HA3  GLY 102           HA1      GLY 102  10.847  -7.054  -3.139
  858    H    LEU 103           HN       LEU 103  10.781  -4.389  -2.319
  859    HA   LEU 103           HA       LEU 103  13.380  -3.555  -3.024
  860    HB2  LEU 103           HB2      LEU 103  11.389  -2.245  -3.554
  861    HB3  LEU 103           HB1      LEU 103  11.075  -1.991  -1.847
  862    HG   LEU 103           HG       LEU 103  13.187  -0.691  -1.684
  863   HD11  LEU 103          HD11      LEU 103  13.242  -1.031  -4.677
  864   HD12  LEU 103          HD12      LEU 103  14.397  -1.708  -3.530
  865   HD13  LEU 103          HD13      LEU 103  14.287   0.039  -3.743
  866   HD21  LEU 103          HD21      LEU 103  11.062   0.445  -2.014
  867   HD22  LEU 103          HD22      LEU 103  11.225   0.268  -3.760
  868   HD23  LEU 103          HD23      LEU 103  12.358   1.282  -2.869
  869    H    ALA 104           HN       ALA 104  11.647  -3.535   0.068
  870    HA   ALA 104           HA       ALA 104  13.475  -2.105   1.587
  871    HB1  ALA 104           HB1      ALA 104  11.636  -4.342   2.427
  872    HB2  ALA 104           HB2      ALA 104  11.281  -2.612   2.430
  873    HB3  ALA 104           HB3      ALA 104  12.486  -3.270   3.538
  874    H    VAL 105           HN       VAL 105  13.295  -5.615   1.050
  875    HA   VAL 105           HA       VAL 105  15.515  -6.274   2.662
  876    HB   VAL 105           HB       VAL 105  14.281  -7.769   0.350
  877   HG11  VAL 105          HG11      VAL 105  15.411  -9.754   1.236
  878   HG12  VAL 105          HG12      VAL 105  16.251  -8.740   2.410
  879   HG13  VAL 105          HG13      VAL 105  16.560  -8.534   0.685
  880   HG21  VAL 105          HG21      VAL 105  13.255  -9.125   2.129
  881   HG22  VAL 105          HG22      VAL 105  12.749  -7.437   2.195
  882   HG23  VAL 105          HG23      VAL 105  13.955  -8.042   3.331
  883    H    THR 106           HN       THR 106  15.179  -5.380  -0.703
  884    HA   THR 106           HA       THR 106  17.788  -5.988  -1.557
  885    HB   THR 106           HB       THR 106  15.885  -3.876  -2.591
  886    HG1  THR 106           HG1      THR 106  14.960  -5.920  -2.761
  887   HG21  THR 106          HG21      THR 106  18.268  -5.155  -3.929
  888   HG22  THR 106          HG22      THR 106  18.170  -3.488  -3.366
  889   HG23  THR 106          HG23      THR 106  17.137  -4.037  -4.687
  890    H    ILE 107           HN       ILE 107  16.372  -3.068  -0.140
  891    HA   ILE 107           HA       ILE 107  18.680  -1.447  -0.498
  892    HB   ILE 107           HB       ILE 107  16.401  -1.074   1.449
  893   HG12  ILE 107          HG12      ILE 107  16.778   0.118  -1.308
  894   HG13  ILE 107          HG11      ILE 107  15.706  -1.232  -0.947
  895   HG21  ILE 107          HG21      ILE 107  18.428   0.892   0.394
  896   HG22  ILE 107          HG22      ILE 107  18.360   0.246   2.033
  897   HG23  ILE 107          HG23      ILE 107  17.062   1.283   1.436
  898   HD11  ILE 107          HD11      ILE 107  14.388   0.187   0.513
  899   HD12  ILE 107          HD12      ILE 107  14.501   0.880  -1.105
  900   HD13  ILE 107          HD13      ILE 107  15.480   1.537   0.206
  901    H    SER 108           HN       SER 108  17.457  -3.421   2.170
  902    HA   SER 108           HA       SER 108  19.517  -2.473   3.972
  903    HB2  SER 108           HB2      SER 108  18.488  -4.149   5.545
  904    HB3  SER 108           HB1      SER 108  17.364  -2.929   4.945
  905    HG   SER 108           HG       SER 108  16.762  -5.311   4.914
  906    H    ARG 109           HN       ARG 109  19.253  -4.766   1.572
  907    HA   ARG 109           HA       ARG 109  20.576  -6.421   0.792
  908    HB2  ARG 109           HB2      ARG 109  22.537  -5.178   2.720
  909    HB3  ARG 109           HB1      ARG 109  22.962  -6.451   1.585
  910    HG2  ARG 109           HG2      ARG 109  21.881  -3.744   0.832
  911    HG3  ARG 109           HG1      ARG 109  23.578  -4.222   0.777
  912    HD2  ARG 109           HD2      ARG 109  21.332  -5.477  -0.797
  913    HD3  ARG 109           HD1      ARG 109  22.545  -4.368  -1.431
  914    HE   ARG 109           HE       ARG 109  24.150  -6.228  -0.570
  915   HH11  ARG 109          HH11      ARG 109  21.039  -6.685  -2.113
  916   HH12  ARG 109          HH12      ARG 109  21.468  -8.209  -2.818
  917   HH21  ARG 109          HH21      ARG 109  24.716  -8.239  -1.489
  918   HH22  ARG 109          HH22      ARG 109  23.556  -9.097  -2.454
  919    H    GLU 110           HN       GLU 110  18.758  -7.100   2.818
  920    HA   GLU 110           HA       GLU 110  20.134  -8.884   4.641
  921    HB2  GLU 110           HB2      GLU 110  17.202  -8.294   4.223
  922    HB3  GLU 110           HB1      GLU 110  17.811  -9.415   5.432
  923    HG2  GLU 110           HG2      GLU 110  19.010  -7.613   6.527
  924    HG3  GLU 110           HG1      GLU 110  18.471  -6.483   5.287
  925    H    ASN 111           HN       ASN 111  20.577  -9.515   1.982
  926    HA   ASN 111           HA       ASN 111  18.943 -11.898   1.490
  927    HB2  ASN 111           HB2      ASN 111  20.959 -10.505  -0.299
  928    HB3  ASN 111           HB1      ASN 111  20.018 -11.921  -0.748
  929   HD21  ASN 111          HD21      ASN 111  17.826 -11.702  -1.182
  930   HD22  ASN 111          HD22      ASN 111  17.102 -10.150  -1.465
  931    H    ILE 112           HN       ILE 112  21.143 -11.512   3.527
  932    HA   ILE 112           HA       ILE 112  23.413 -12.976   2.587
  933    HB   ILE 112           HB       ILE 112  22.632 -12.266   5.417
  934   HG12  ILE 112          HG12      ILE 112  24.588 -10.912   3.550
  935   HG13  ILE 112          HG11      ILE 112  22.980 -10.311   3.913
  936   HG21  ILE 112          HG21      ILE 112  25.014 -12.648   5.920
  937   HG22  ILE 112          HG22      ILE 112  25.237 -13.249   4.278
  938   HG23  ILE 112          HG23      ILE 112  24.180 -14.108   5.397
  939   HD11  ILE 112          HD11      ILE 112  24.685  -9.144   5.189
  940   HD12  ILE 112          HD12      ILE 112  25.210 -10.671   5.898
  941   HD13  ILE 112          HD13      ILE 112  23.601 -10.041   6.251
  942    H    THR 113           HN       THR 113  20.849 -13.698   4.942
  943    HA   THR 113           HA       THR 113  21.654 -16.459   5.145
  944    HB   THR 113           HB       THR 113  19.509 -16.600   6.540
  945    HG1  THR 113           HG1      THR 113  18.332 -14.850   6.015
  946   HG21  THR 113          HG21      THR 113  20.542 -15.425   8.453
  947   HG22  THR 113          HG22      THR 113  21.701 -14.686   7.348
  948   HG23  THR 113          HG23      THR 113  21.693 -16.434   7.580
  949    H    GLU 114           HN       GLU 114  19.949 -14.751   2.917
  950    HA   GLU 114           HA       GLU 114  17.833 -16.557   2.330
  951    HB2  GLU 114           HB2      GLU 114  17.784 -14.169   1.714
  952    HB3  GLU 114           HB1      GLU 114  19.120 -14.433   0.611
  953    HG2  GLU 114           HG2      GLU 114  17.734 -15.934  -0.718
  954    HG3  GLU 114           HG1      GLU 114  16.389 -15.666   0.391
  955    H    VAL 115           HN       VAL 115  18.462 -18.596   1.936
  956    HA   VAL 115           HA       VAL 115  20.410 -19.035  -0.223
  957    HB   VAL 115           HB       VAL 115  21.013 -21.190   0.952
  958   HG11  VAL 115          HG11      VAL 115  22.493 -19.260   0.961
  959   HG12  VAL 115          HG12      VAL 115  22.570 -20.108   2.505
  960   HG13  VAL 115          HG13      VAL 115  21.656 -18.606   2.367
  961   HG21  VAL 115          HG21      VAL 115  20.614 -21.298   3.375
  962   HG22  VAL 115          HG22      VAL 115  19.109 -21.347   2.458
  963   HG23  VAL 115          HG23      VAL 115  19.603 -19.858   3.265
  964    H    GLY 116           HN       GLY 116  17.829 -18.805  -0.897
  965    HA2  GLY 116           HA2      GLY 116  16.464 -21.356  -0.819
  966    HA3  GLY 116           HA1      GLY 116  15.927 -19.907  -1.655
  967    H    ALA 117           HN       ALA 117  18.417 -22.437  -1.830
  968    HA   ALA 117           HA       ALA 117  18.008 -22.525  -4.734
  969    HB1  ALA 117           HB1      ALA 117  19.953 -21.095  -4.336
  970    HB2  ALA 117           HB2      ALA 117  20.411 -22.599  -5.134
  971    HB3  ALA 117           HB3      ALA 117  20.714 -22.389  -3.410
  972    HA   PRO 118           HA       PRO 118  18.493 -26.763  -2.900
  973    HB2  PRO 118           HB2      PRO 118  15.961 -27.579  -2.682
  974    HB3  PRO 118           HB1      PRO 118  16.678 -26.510  -1.474
  975    HG2  PRO 118           HG2      PRO 118  14.712 -25.904  -3.604
  976    HG3  PRO 118           HG1      PRO 118  14.934 -25.132  -2.026
  977    HD2  PRO 118           HD2      PRO 118  15.891 -24.233  -4.559
  978    HD3  PRO 118           HD1      PRO 118  16.207 -23.515  -2.968
  979    H    THR 119           HN       THR 119  17.961 -25.535  -5.743
  980    HA   THR 119           HA       THR 119  17.396 -28.114  -7.026
  981    HB   THR 119           HB       THR 119  16.307 -25.465  -8.011
  982    HG1  THR 119           HG1      THR 119  15.234 -27.469  -6.345
  983   HG21  THR 119          HG21      THR 119  15.778 -28.304  -8.898
  984   HG22  THR 119          HG22      THR 119  16.716 -27.101  -9.784
  985   HG23  THR 119          HG23      THR 119  14.987 -26.862  -9.533
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1 -38.220  20.457  -9.488
    2    H2   GLY   1           HT2      GLY   1 -39.518  21.206  -8.707
    3    H3   GLY   1           HT3      GLY   1 -38.543  20.108  -7.866
    4    HA2  GLY   1           HA1      GLY   1 -37.664  22.734  -8.933
    5    HA3  GLY   1           HA2      GLY   1 -38.015  22.387  -7.245
    6    HA   PRO   2           HA       PRO   2 -33.508  21.489  -8.073
    7    HB2  PRO   2           HB2      PRO   2 -32.852  23.507  -6.101
    8    HB3  PRO   2           HB1      PRO   2 -32.426  23.460  -7.812
    9    HG2  PRO   2           HG2      PRO   2 -34.160  25.275  -6.742
   10    HG3  PRO   2           HG1      PRO   2 -34.225  24.730  -8.428
   11    HD2  PRO   2           HD2      PRO   2 -35.878  23.855  -6.089
   12    HD3  PRO   2           HD1      PRO   2 -36.377  24.175  -7.763
   13    H    MET   3           HN       MET   3 -35.014  19.820  -6.614
   14    HA   MET   3           HA       MET   3 -33.890  19.742  -3.912
   15    HB2  MET   3           HB2      MET   3 -36.268  19.291  -4.057
   16    HB3  MET   3           HB1      MET   3 -35.994  18.035  -5.255
   17    HG2  MET   3           HG2      MET   3 -34.828  16.688  -3.608
   18    HG3  MET   3           HG1      MET   3 -35.038  17.955  -2.403
   19    HE1  MET   3           HE1      MET   3 -37.429  15.141  -1.118
   20    HE2  MET   3           HE2      MET   3 -36.097  16.218  -0.708
   21    HE3  MET   3           HE3      MET   3 -35.861  14.937  -1.896
   22    H    ALA   4           HN       ALA   4 -34.314  17.534  -6.657
   23    HA   ALA   4           HA       ALA   4 -33.080  15.828  -7.478
   24    HB1  ALA   4           HB1      ALA   4 -30.769  17.406  -6.356
   25    HB2  ALA   4           HB2      ALA   4 -31.506  17.639  -7.940
   26    HB3  ALA   4           HB3      ALA   4 -30.664  16.133  -7.572
   27    H    MET   5           HN       MET   5 -34.100  14.437  -5.902
   28    HA   MET   5           HA       MET   5 -32.600  13.714  -3.547
   29    HB2  MET   5           HB2      MET   5 -34.346  12.070  -3.148
   30    HB3  MET   5           HB1      MET   5 -35.062  13.624  -3.544
   31    HG2  MET   5           HG2      MET   5 -35.546  12.870  -5.788
   32    HG3  MET   5           HG1      MET   5 -34.735  11.338  -5.477
   33    HE1  MET   5           HE1      MET   5 -38.719  12.666  -3.571
   34    HE2  MET   5           HE2      MET   5 -37.815  13.596  -4.767
   35    HE3  MET   5           HE3      MET   5 -37.180  13.406  -3.133
   36    H    LEU   6           HN       LEU   6 -30.979  12.318  -3.493
   37    HA   LEU   6           HA       LEU   6 -30.761  10.331  -5.653
   38    HB2  LEU   6           HB2      LEU   6 -28.677  11.891  -4.167
   39    HB3  LEU   6           HB1      LEU   6 -28.271  10.311  -4.799
   40    HG   LEU   6           HG       LEU   6 -27.531  12.003  -6.341
   41   HD11  LEU   6          HD11      LEU   6 -28.606  11.261  -8.365
   42   HD12  LEU   6          HD12      LEU   6 -29.981  10.651  -7.449
   43   HD13  LEU   6          HD13      LEU   6 -28.396   9.901  -7.263
   44   HD21  LEU   6          HD21      LEU   6 -30.396  12.937  -6.440
   45   HD22  LEU   6          HD22      LEU   6 -29.082  13.522  -7.463
   46   HD23  LEU   6          HD23      LEU   6 -29.039  13.808  -5.723
   47    H    ALA   7           HN       ALA   7 -30.817   8.245  -5.095
   48    HA   ALA   7           HA       ALA   7 -31.322   7.490  -2.402
   49    HB1  ALA   7           HB1      ALA   7 -30.727   5.758  -4.796
   50    HB2  ALA   7           HB2      ALA   7 -32.323   6.309  -4.289
   51    HB3  ALA   7           HB3      ALA   7 -31.401   5.213  -3.260
   52    H    ARG   8           HN       ARG   8 -29.565   8.054  -1.157
   53    HA   ARG   8           HA       ARG   8 -26.914   7.115  -1.852
   54    HB2  ARG   8           HB2      ARG   8 -27.922   8.611   0.575
   55    HB3  ARG   8           HB1      ARG   8 -26.233   8.270   0.229
   56    HG2  ARG   8           HG2      ARG   8 -26.279   9.664  -1.714
   57    HG3  ARG   8           HG1      ARG   8 -28.024   9.877  -1.577
   58    HD2  ARG   8           HD2      ARG   8 -26.863  11.844  -0.753
   59    HD3  ARG   8           HD1      ARG   8 -27.708  11.029   0.560
   60    HE   ARG   8           HE       ARG   8 -24.857  10.484   0.160
   61   HH11  ARG   8          HH11      ARG   8 -27.404  11.948   2.058
   62   HH12  ARG   8          HH12      ARG   8 -26.409  12.178   3.460
   63   HH21  ARG   8          HH21      ARG   8 -23.530  10.803   1.998
   64   HH22  ARG   8          HH22      ARG   8 -24.195  11.537   3.422
   65    H    ARG   9           HN       ARG   9 -28.462   4.955  -1.660
   66    HA   ARG   9           HA       ARG   9 -28.298   3.851   1.030
   67    HB2  ARG   9           HB2      ARG   9 -29.456   2.744  -1.529
   68    HB3  ARG   9           HB1      ARG   9 -29.445   1.879   0.000
   69    HG2  ARG   9           HG2      ARG   9 -30.824   3.625   1.002
   70    HG3  ARG   9           HG1      ARG   9 -30.835   4.494  -0.537
   71    HD2  ARG   9           HD2      ARG   9 -31.922   2.602  -1.611
   72    HD3  ARG   9           HD1      ARG   9 -31.884   1.705  -0.097
   73    HE   ARG   9           HE       ARG   9 -33.271   4.256  -0.048
   74   HH11  ARG   9          HH11      ARG   9 -33.470   0.774  -0.292
   75   HH12  ARG   9          HH12      ARG   9 -35.168   0.710   0.050
   76   HH21  ARG   9          HH21      ARG   9 -35.514   4.186   0.403
   77   HH22  ARG   9          HH22      ARG   9 -36.334   2.658   0.440
   78    H    GLN  10           HN       GLN  10 -27.299   2.901  -2.249
   79    HA   GLN  10           HA       GLN  10 -25.617   0.809  -1.228
   80    HB2  GLN  10           HB2      GLN  10 -25.826   1.847  -4.056
   81    HB3  GLN  10           HB1      GLN  10 -25.140   0.311  -3.548
   82    HG2  GLN  10           HG2      GLN  10 -28.029   1.129  -3.313
   83    HG3  GLN  10           HG1      GLN  10 -27.352   0.010  -4.492
   84   HE21  GLN  10          HE21      GLN  10 -26.803  -2.052  -3.866
   85   HE22  GLN  10          HE22      GLN  10 -27.274  -2.724  -2.344
   86    H    ARG  11           HN       ARG  11 -24.653   2.857   0.004
   87    HA   ARG  11           HA       ARG  11 -22.709   4.433  -1.276
   88    HB2  ARG  11           HB2      ARG  11 -22.716   3.507   1.606
   89    HB3  ARG  11           HB1      ARG  11 -21.884   4.914   0.958
   90    HG2  ARG  11           HG2      ARG  11 -23.981   5.993   0.474
   91    HG3  ARG  11           HG1      ARG  11 -24.873   4.554   0.968
   92    HD2  ARG  11           HD2      ARG  11 -23.875   4.819   3.246
   93    HD3  ARG  11           HD1      ARG  11 -23.201   6.358   2.709
   94    HE   ARG  11           HE       ARG  11 -25.974   6.318   2.193
   95   HH11  ARG  11          HH11      ARG  11 -23.725   6.503   4.871
   96   HH12  ARG  11          HH12      ARG  11 -24.818   7.379   5.895
   97   HH21  ARG  11          HH21      ARG  11 -27.413   7.481   3.537
   98   HH22  ARG  11          HH22      ARG  11 -26.916   7.931   5.136
   99    H    ASP  12           HN       ASP  12 -20.595   4.078  -1.738
  100    HA   ASP  12           HA       ASP  12 -19.783   1.283  -1.778
  101    HB2  ASP  12           HB2      ASP  12 -18.672   3.747  -3.138
  102    HB3  ASP  12           HB1      ASP  12 -17.953   2.146  -3.283
  103    HA   PRO  13           HA       PRO  13 -17.191   2.230   1.850
  104    HB2  PRO  13           HB2      PRO  13 -16.763  -0.678   1.768
  105    HB3  PRO  13           HB1      PRO  13 -17.410   0.315   3.075
  106    HG2  PRO  13           HG2      PRO  13 -18.953  -1.375   1.660
  107    HG3  PRO  13           HG1      PRO  13 -19.569   0.158   2.301
  108    HD2  PRO  13           HD2      PRO  13 -18.729  -0.530  -0.486
  109    HD3  PRO  13           HD1      PRO  13 -20.097   0.457   0.071
  110    H    LEU  14           HN       LEU  14 -16.526  -0.006  -0.788
  111    HA   LEU  14           HA       LEU  14 -13.739  -0.184  -0.494
  112    HB2  LEU  14           HB2      LEU  14 -15.313  -0.367  -3.069
  113    HB3  LEU  14           HB1      LEU  14 -13.714  -1.019  -2.775
  114    HG   LEU  14           HG       LEU  14 -16.225  -1.951  -1.375
  115   HD11  LEU  14          HD11      LEU  14 -14.689  -3.182  -3.652
  116   HD12  LEU  14          HD12      LEU  14 -16.326  -2.529  -3.714
  117   HD13  LEU  14          HD13      LEU  14 -15.985  -3.970  -2.754
  118   HD21  LEU  14          HD21      LEU  14 -14.305  -2.336   0.001
  119   HD22  LEU  14          HD22      LEU  14 -13.398  -2.989  -1.361
  120   HD23  LEU  14          HD23      LEU  14 -14.787  -3.870  -0.723
  121    H    GLN  15           HN       GLN  15 -15.753   2.176  -2.175
  122    HA   GLN  15           HA       GLN  15 -13.665   3.474  -3.559
  123    HB2  GLN  15           HB2      GLN  15 -16.028   3.768  -4.160
  124    HB3  GLN  15           HB1      GLN  15 -16.321   4.587  -2.631
  125    HG2  GLN  15           HG2      GLN  15 -14.813   6.380  -3.286
  126    HG3  GLN  15           HG1      GLN  15 -14.474   5.553  -4.804
  127   HE21  GLN  15          HE21      GLN  15 -17.646   5.706  -3.319
  128   HE22  GLN  15          HE22      GLN  15 -18.363   6.711  -4.529
  129    H    ALA  16           HN       ALA  16 -15.049   3.956  -0.342
  130    HA   ALA  16           HA       ALA  16 -13.659   6.355   0.245
  131    HB1  ALA  16           HB1      ALA  16 -15.652   5.635   1.480
  132    HB2  ALA  16           HB2      ALA  16 -14.289   5.935   2.557
  133    HB3  ALA  16           HB3      ALA  16 -14.743   4.280   2.149
  134    H    LEU  17           HN       LEU  17 -13.025   2.974   1.097
  135    HA   LEU  17           HA       LEU  17 -10.527   3.361   2.288
  136    HB2  LEU  17           HB2      LEU  17 -11.726   1.238   2.416
  137    HB3  LEU  17           HB1      LEU  17 -11.483   0.983   0.697
  138    HG   LEU  17           HG       LEU  17  -9.021   0.950   1.103
  139   HD11  LEU  17          HD11      LEU  17  -8.231   0.600   3.398
  140   HD12  LEU  17          HD12      LEU  17  -9.854   0.949   3.996
  141   HD13  LEU  17          HD13      LEU  17  -8.932   2.202   3.165
  142   HD21  LEU  17          HD21      LEU  17  -8.985  -1.290   2.088
  143   HD22  LEU  17          HD22      LEU  17 -10.253  -1.114   0.877
  144   HD23  LEU  17          HD23      LEU  17 -10.661  -1.084   2.592
  145    H    ARG  18           HN       ARG  18 -11.408   2.998  -1.103
  146    HA   ARG  18           HA       ARG  18  -8.852   2.666  -2.173
  147    HB2  ARG  18           HB2      ARG  18 -11.030   2.396  -3.389
  148    HB3  ARG  18           HB1      ARG  18 -11.126   4.148  -3.489
  149    HG2  ARG  18           HG2      ARG  18  -9.265   4.275  -4.920
  150    HG3  ARG  18           HG1      ARG  18  -8.786   2.610  -4.573
  151    HD2  ARG  18           HD2      ARG  18 -11.204   3.543  -6.111
  152    HD3  ARG  18           HD1      ARG  18  -9.818   2.638  -6.730
  153    HE   ARG  18           HE       ARG  18 -10.589   0.855  -5.070
  154   HH11  ARG  18          HH11      ARG  18 -12.744   2.986  -6.829
  155   HH12  ARG  18          HH12      ARG  18 -14.117   1.942  -6.655
  156   HH21  ARG  18          HH21      ARG  18 -12.362  -0.498  -4.823
  157   HH22  ARG  18          HH22      ARG  18 -13.906  -0.045  -5.497
  158    H    ARG  19           HN       ARG  19 -10.555   5.586  -1.194
  159    HA   ARG  19           HA       ARG  19  -8.777   7.494  -2.211
  160    HB2  ARG  19           HB2      ARG  19 -10.510   7.462   0.260
  161    HB3  ARG  19           HB1      ARG  19  -9.551   8.863  -0.192
  162    HG2  ARG  19           HG2      ARG  19 -11.605   7.610  -1.995
  163    HG3  ARG  19           HG1      ARG  19 -11.953   8.936  -0.883
  164    HD2  ARG  19           HD2      ARG  19  -9.950   8.977  -3.143
  165    HD3  ARG  19           HD1      ARG  19 -11.520   9.784  -3.125
  166    HE   ARG  19           HE       ARG  19  -9.998  10.623  -0.905
  167   HH11  ARG  19          HH11      ARG  19 -10.066  10.963  -4.386
  168   HH12  ARG  19          HH12      ARG  19  -9.347  12.542  -4.371
  169   HH21  ARG  19          HH21      ARG  19  -9.064  12.694  -0.876
  170   HH22  ARG  19          HH22      ARG  19  -8.777  13.529  -2.371
  171    H    ARG  20           HN       ARG  20  -8.736   5.656   0.801
  172    HA   ARG  20           HA       ARG  20  -6.304   6.756   1.772
  173    HB2  ARG  20           HB2      ARG  20  -7.909   5.732   3.280
  174    HB3  ARG  20           HB1      ARG  20  -7.750   4.193   2.455
  175    HG2  ARG  20           HG2      ARG  20  -6.542   4.126   4.532
  176    HG3  ARG  20           HG1      ARG  20  -5.408   4.062   3.188
  177    HD2  ARG  20           HD2      ARG  20  -4.916   6.433   3.472
  178    HD3  ARG  20           HD1      ARG  20  -6.070   6.522   4.805
  179    HE   ARG  20           HE       ARG  20  -4.386   4.561   5.606
  180   HH11  ARG  20          HH11      ARG  20  -3.869   7.838   4.491
  181   HH12  ARG  20          HH12      ARG  20  -2.393   8.038   5.375
  182   HH21  ARG  20          HH21      ARG  20  -2.452   4.822   6.768
  183   HH22  ARG  20          HH22      ARG  20  -1.592   6.329   6.689
  184    H    ASN  21           HN       ASN  21  -7.091   3.881  -0.169
  185    HA   ASN  21           HA       ASN  21  -4.467   2.836  -0.279
  186    HB2  ASN  21           HB2      ASN  21  -6.730   2.601  -2.278
  187    HB3  ASN  21           HB1      ASN  21  -5.204   1.739  -2.424
  188   HD21  ASN  21          HD21      ASN  21  -7.746   0.531  -2.250
  189   HD22  ASN  21          HD22      ASN  21  -7.777  -0.394  -0.789
  190    H    GLN  22           HN       GLN  22  -6.136   5.220  -2.258
  191    HA   GLN  22           HA       GLN  22  -4.126   5.660  -4.162
  192    HB2  GLN  22           HB2      GLN  22  -6.432   6.481  -4.382
  193    HB3  GLN  22           HB1      GLN  22  -6.174   7.583  -3.038
  194    HG2  GLN  22           HG2      GLN  22  -4.513   8.800  -4.333
  195    HG3  GLN  22           HG1      GLN  22  -4.722   7.673  -5.674
  196   HE21  GLN  22          HE21      GLN  22  -5.370   9.327  -7.077
  197   HE22  GLN  22          HE22      GLN  22  -6.919  10.079  -6.955
  198    H    GLU  23           HN       GLU  23  -4.518   6.719  -0.883
  199    HA   GLU  23           HA       GLU  23  -2.596   8.832  -0.938
  200    HB2  GLU  23           HB2      GLU  23  -4.429   8.604   0.762
  201    HB3  GLU  23           HB1      GLU  23  -3.584   7.211   1.422
  202    HG2  GLU  23           HG2      GLU  23  -3.083   9.069   2.795
  203    HG3  GLU  23           HG1      GLU  23  -1.636   8.700   1.861
  204    H    LEU  24           HN       LEU  24  -2.594   5.393  -0.156
  205    HA   LEU  24           HA       LEU  24   0.122   5.254   0.669
  206    HB2  LEU  24           HB2      LEU  24  -1.641   3.078  -0.468
  207    HB3  LEU  24           HB1      LEU  24  -0.096   2.824   0.317
  208    HG   LEU  24           HG       LEU  24  -2.608   3.868   1.635
  209   HD11  LEU  24          HD11      LEU  24  -2.586   1.780   2.841
  210   HD12  LEU  24          HD12      LEU  24  -1.095   1.295   2.041
  211   HD13  LEU  24          HD13      LEU  24  -2.583   1.450   1.109
  212   HD21  LEU  24          HD21      LEU  24  -1.314   3.726   3.719
  213   HD22  LEU  24          HD22      LEU  24  -0.653   4.925   2.608
  214   HD23  LEU  24          HD23      LEU  24   0.134   3.357   2.784
  215    H    LYS  25           HN       LYS  25  -1.527   4.812  -2.430
  216    HA   LYS  25           HA       LYS  25   0.624   3.909  -3.952
  217    HB2  LYS  25           HB2      LYS  25  -1.851   5.461  -4.592
  218    HB3  LYS  25           HB1      LYS  25  -0.618   5.280  -5.827
  219    HG2  LYS  25           HG2      LYS  25  -1.902   2.980  -4.378
  220    HG3  LYS  25           HG1      LYS  25  -2.450   3.605  -5.934
  221    HD2  LYS  25           HD2      LYS  25   0.392   2.721  -5.517
  222    HD3  LYS  25           HD1      LYS  25  -0.876   1.565  -5.915
  223    HE2  LYS  25           HE2      LYS  25   0.122   2.138  -7.965
  224    HE3  LYS  25           HE1      LYS  25  -1.396   3.024  -7.915
  225    HZ1  LYS  25           HZ1      LYS  25  -0.231   5.024  -7.384
  226    HZ2  LYS  25           HZ2      LYS  25   0.511   4.335  -8.733
  227    HZ3  LYS  25           HZ3      LYS  25   1.242   4.206  -7.215
  228    H    GLN  26           HN       GLN  26  -0.409   7.226  -3.264
  229    HA   GLN  26           HA       GLN  26   1.510   8.538  -4.815
  230    HB2  GLN  26           HB2      GLN  26   0.245   9.456  -2.229
  231    HB3  GLN  26           HB1      GLN  26   1.073  10.490  -3.382
  232    HG2  GLN  26           HG2      GLN  26  -0.609  10.049  -5.053
  233    HG3  GLN  26           HG1      GLN  26  -1.411   8.900  -3.982
  234   HE21  GLN  26          HE21      GLN  26  -0.023  11.924  -2.917
  235   HE22  GLN  26          HE22      GLN  26  -1.518  12.694  -2.523
  236    H    GLN  27           HN       GLN  27   1.661   7.243  -1.551
  237    HA   GLN  27           HA       GLN  27   4.152   8.497  -0.908
  238    HB2  GLN  27           HB2      GLN  27   2.520   6.342   0.409
  239    HB3  GLN  27           HB1      GLN  27   4.075   6.864   1.045
  240    HG2  GLN  27           HG2      GLN  27   3.270   9.066   1.426
  241    HG3  GLN  27           HG1      GLN  27   1.780   8.740   0.548
  242   HE21  GLN  27          HE21      GLN  27   0.157   7.550   1.551
  243   HE22  GLN  27          HE22      GLN  27   0.153   7.255   3.253
  244    H    VAL  28           HN       VAL  28   3.161   5.381  -2.206
  245    HA   VAL  28           HA       VAL  28   5.679   4.095  -1.881
  246    HB   VAL  28           HB       VAL  28   3.378   3.481  -3.750
  247   HG11  VAL  28          HG11      VAL  28   5.452   2.603  -4.669
  248   HG12  VAL  28          HG12      VAL  28   4.435   1.291  -4.068
  249   HG13  VAL  28          HG13      VAL  28   5.824   1.834  -3.127
  250   HG21  VAL  28          HG21      VAL  28   2.814   3.210  -1.397
  251   HG22  VAL  28          HG22      VAL  28   4.247   2.210  -1.154
  252   HG23  VAL  28          HG23      VAL  28   2.936   1.636  -2.185
  253    H    ASP  29           HN       ASP  29   4.072   5.697  -4.619
  254    HA   ASP  29           HA       ASP  29   6.171   5.440  -6.460
  255    HB2  ASP  29           HB2      ASP  29   3.926   7.437  -6.214
  256    HB3  ASP  29           HB1      ASP  29   5.121   7.550  -7.501
  257    H    SER  30           HN       SER  30   5.546   7.835  -3.953
  258    HA   SER  30           HA       SER  30   7.646   9.598  -4.614
  259    HB2  SER  30           HB2      SER  30   6.380   9.028  -1.919
  260    HB3  SER  30           HB1      SER  30   7.443  10.388  -2.265
  261    HG   SER  30           HG       SER  30   4.824   9.883  -3.193
  262    H    LEU  31           HN       LEU  31   7.509   6.665  -2.672
  263    HA   LEU  31           HA       LEU  31  10.074   6.859  -1.516
  264    HB2  LEU  31           HB2      LEU  31   8.284   5.327  -0.741
  265    HB3  LEU  31           HB1      LEU  31   8.502   4.372  -2.195
  266    HG   LEU  31           HG       LEU  31  10.878   3.969  -1.460
  267   HD11  LEU  31          HD11      LEU  31  11.310   4.277   0.969
  268   HD12  LEU  31          HD12      LEU  31   9.842   5.250   1.059
  269   HD13  LEU  31          HD13      LEU  31  11.195   5.784   0.061
  270   HD21  LEU  31          HD21      LEU  31   9.071   2.323  -1.183
  271   HD22  LEU  31          HD22      LEU  31   8.722   3.001   0.407
  272   HD23  LEU  31          HD23      LEU  31  10.275   2.229   0.100
  273    H    LEU  32           HN       LEU  32   8.904   5.261  -4.461
  274    HA   LEU  32           HA       LEU  32  11.350   4.203  -5.318
  275    HB2  LEU  32           HB2      LEU  32   8.996   5.178  -6.947
  276    HB3  LEU  32           HB1      LEU  32  10.298   4.181  -7.568
  277    HG   LEU  32           HG       LEU  32   8.344   3.365  -5.417
  278   HD11  LEU  32          HD11      LEU  32   7.463   1.845  -7.126
  279   HD12  LEU  32          HD12      LEU  32   8.556   2.555  -8.311
  280   HD13  LEU  32          HD13      LEU  32   7.280   3.536  -7.591
  281   HD21  LEU  32          HD21      LEU  32   9.314   1.136  -5.701
  282   HD22  LEU  32          HD22      LEU  32  10.503   2.301  -5.120
  283   HD23  LEU  32          HD23      LEU  32  10.511   1.803  -6.812
  284    H    SER  33           HN       SER  33   9.869   7.365  -5.768
  285    HA   SER  33           HA       SER  33  11.731   8.373  -7.629
  286    HB2  SER  33           HB2      SER  33  10.027   9.872  -5.625
  287    HB3  SER  33           HB1      SER  33  10.841  10.585  -7.017
  288    HG   SER  33           HG       SER  33   9.243   8.407  -7.597
  289    H    GLU  34           HN       GLU  34  11.746   8.187  -4.109
  290    HA   GLU  34           HA       GLU  34  13.997   9.961  -3.824
  291    HB2  GLU  34           HB2      GLU  34  12.671   8.072  -1.879
  292    HB3  GLU  34           HB1      GLU  34  14.062   9.064  -1.473
  293    HG2  GLU  34           HG2      GLU  34  12.723  11.074  -2.054
  294    HG3  GLU  34           HG1      GLU  34  11.325  10.021  -2.265
  295    H    SER  35           HN       SER  35  13.424   6.503  -3.911
  296    HA   SER  35           HA       SER  35  16.050   5.670  -3.323
  297    HB2  SER  35           HB2      SER  35  14.053   4.191  -3.201
  298    HB3  SER  35           HB1      SER  35  13.949   4.222  -4.960
  299    HG   SER  35           HG       SER  35  16.435   3.535  -4.028
  300    H    GLN  36           HN       GLN  36  14.949   7.387  -5.972
  301    HA   GLN  36           HA       GLN  36  16.793   6.079  -7.839
  302    HB2  GLN  36           HB2      GLN  36  14.387   6.230  -8.516
  303    HB3  GLN  36           HB1      GLN  36  14.515   7.979  -8.440
  304    HG2  GLN  36           HG2      GLN  36  14.680   7.198 -10.723
  305    HG3  GLN  36           HG1      GLN  36  16.191   7.942 -10.207
  306   HE21  GLN  36          HE21      GLN  36  18.013   6.677  -9.965
  307   HE22  GLN  36          HE22      GLN  36  18.106   5.050 -10.546
  308    H    LEU  37           HN       LEU  37  16.395   8.684  -5.788
  309    HA   LEU  37           HA       LEU  37  17.638  10.735  -7.355
  310    HB2  LEU  37           HB2      LEU  37  17.101  10.548  -4.392
  311    HB3  LEU  37           HB1      LEU  37  17.705  11.978  -5.202
  312    HG   LEU  37           HG       LEU  37  15.024  10.710  -5.755
  313   HD11  LEU  37          HD11      LEU  37  15.159  11.630  -3.484
  314   HD12  LEU  37          HD12      LEU  37  14.077  12.567  -4.514
  315   HD13  LEU  37          HD13      LEU  37  15.692  13.172  -4.151
  316   HD21  LEU  37          HD21      LEU  37  16.274  13.298  -6.652
  317   HD22  LEU  37          HD22      LEU  37  14.576  12.876  -6.870
  318   HD23  LEU  37          HD23      LEU  37  15.828  11.925  -7.664
  319    H    LYS  38           HN       LYS  38  19.701  11.324  -7.430
  320    HA   LYS  38           HA       LYS  38  21.713   9.495  -6.560
  321    HB2  LYS  38           HB2      LYS  38  21.977  12.269  -7.743
  322    HB3  LYS  38           HB1      LYS  38  23.279  11.097  -7.588
  323    HG2  LYS  38           HG2      LYS  38  22.178   9.602  -9.128
  324    HG3  LYS  38           HG1      LYS  38  20.779  10.672  -9.217
  325    HD2  LYS  38           HD2      LYS  38  22.221  12.428 -10.175
  326    HD3  LYS  38           HD1      LYS  38  23.584  11.307 -10.134
  327    HE2  LYS  38           HE2      LYS  38  22.581  11.406 -12.361
  328    HE3  LYS  38           HE1      LYS  38  22.408   9.802 -11.653
  329    HZ1  LYS  38           HZ1      LYS  38  20.130  10.285 -11.115
  330    HZ2  LYS  38           HZ2      LYS  38  20.377  10.605 -12.758
  331    HZ3  LYS  38           HZ3      LYS  38  20.286  11.880 -11.654
  332    H    GLU  39           HN       GLU  39  20.418  12.517  -5.399
  333    HA   GLU  39           HA       GLU  39  22.411  13.024  -3.431
  334    HB2  GLU  39           HB2      GLU  39  20.876  14.772  -4.217
  335    HB3  GLU  39           HB1      GLU  39  19.512  13.892  -3.543
  336    HG2  GLU  39           HG2      GLU  39  20.506  14.170  -1.293
  337    HG3  GLU  39           HG1      GLU  39  21.774  15.156  -2.015
  338    H    ALA  40           HN       ALA  40  19.650  10.958  -3.620
  339    HA   ALA  40           HA       ALA  40  19.562  10.501  -0.757
  340    HB1  ALA  40           HB1      ALA  40  17.460  10.718  -1.962
  341    HB2  ALA  40           HB2      ALA  40  17.615   9.116  -1.241
  342    HB3  ALA  40           HB3      ALA  40  17.890   9.336  -2.968
  343    H    LEU  41           HN       LEU  41  21.448   9.451  -3.169
  344    HA   LEU  41           HA       LEU  41  21.500   6.638  -2.468
  345    HB2  LEU  41           HB2      LEU  41  21.830   7.482  -4.808
  346    HB3  LEU  41           HB1      LEU  41  23.353   8.178  -4.289
  347    HG   LEU  41           HG       LEU  41  24.186   5.917  -3.752
  348   HD11  LEU  41          HD11      LEU  41  21.562   5.007  -4.920
  349   HD12  LEU  41          HD12      LEU  41  22.097   4.809  -3.251
  350   HD13  LEU  41          HD13      LEU  41  22.931   3.961  -4.551
  351   HD21  LEU  41          HD21      LEU  41  23.136   6.231  -6.560
  352   HD22  LEU  41          HD22      LEU  41  24.439   5.154  -6.060
  353   HD23  LEU  41          HD23      LEU  41  24.642   6.900  -5.933
  354    H    GLU  42           HN       GLU  42  22.138   8.788  -0.551
  355    HA   GLU  42           HA       GLU  42  24.940   8.388   0.066
  356    HB2  GLU  42           HB2      GLU  42  22.753   9.974   1.429
  357    HB3  GLU  42           HB1      GLU  42  24.386   9.845   2.062
  358    HG2  GLU  42           HG2      GLU  42  23.705  10.945  -0.655
  359    HG3  GLU  42           HG1      GLU  42  23.950  11.924   0.791
  360    HA   PRO  43           HA       PRO  43  24.679   4.872   2.529
  361    HB2  PRO  43           HB2      PRO  43  25.911   5.602   4.913
  362    HB3  PRO  43           HB1      PRO  43  26.736   5.049   3.454
  363    HG2  PRO  43           HG2      PRO  43  26.282   7.829   4.435
  364    HG3  PRO  43           HG1      PRO  43  27.706   7.138   3.636
  365    HD2  PRO  43           HD2      PRO  43  25.993   8.702   2.306
  366    HD3  PRO  43           HD1      PRO  43  26.749   7.293   1.527
  367    H    ASN  44           HN       ASN  44  23.940   7.681   4.635
  368    HA   ASN  44           HA       ASN  44  22.551   6.018   6.506
  369    HB2  ASN  44           HB2      ASN  44  22.655   9.034   6.304
  370    HB3  ASN  44           HB1      ASN  44  21.989   8.133   7.661
  371   HD21  ASN  44          HD21      ASN  44  23.397   7.030   9.047
  372   HD22  ASN  44          HD22      ASN  44  25.093   7.361   9.082
  373    H    LYS  45           HN       LYS  45  21.583   8.064   3.823
  374    HA   LYS  45           HA       LYS  45  18.849   8.229   4.366
  375    HB2  LYS  45           HB2      LYS  45  19.845   9.604   2.657
  376    HB3  LYS  45           HB1      LYS  45  20.359   8.194   1.746
  377    HG2  LYS  45           HG2      LYS  45  18.488   9.142   0.628
  378    HG3  LYS  45           HG1      LYS  45  17.952   7.641   1.378
  379    HD2  LYS  45           HD2      LYS  45  16.898   8.867   3.173
  380    HD3  LYS  45           HD1      LYS  45  17.537  10.392   2.551
  381    HE2  LYS  45           HE2      LYS  45  16.247  10.067   0.481
  382    HE3  LYS  45           HE1      LYS  45  15.587   8.571   1.137
  383    HZ1  LYS  45           HZ1      LYS  45  15.208  11.262   2.328
  384    HZ2  LYS  45           HZ2      LYS  45  14.516   9.822   2.878
  385    HZ3  LYS  45           HZ3      LYS  45  14.065  10.457   1.373
  386    H    ARG  46           HN       ARG  46  20.775   5.668   2.950
  387    HA   ARG  46           HA       ARG  46  18.721   4.082   1.900
  388    HB2  ARG  46           HB2      ARG  46  21.330   3.199   3.150
  389    HB3  ARG  46           HB1      ARG  46  20.281   2.180   2.174
  390    HG2  ARG  46           HG2      ARG  46  20.632   3.665   0.260
  391    HG3  ARG  46           HG1      ARG  46  21.705   4.664   1.244
  392    HD2  ARG  46           HD2      ARG  46  22.115   1.759   0.542
  393    HD3  ARG  46           HD1      ARG  46  22.979   3.128  -0.154
  394    HE   ARG  46           HE       ARG  46  23.389   3.321   2.554
  395   HH11  ARG  46          HH11      ARG  46  23.956   0.859   0.137
  396   HH12  ARG  46          HH12      ARG  46  25.377   0.241   0.914
  397   HH21  ARG  46          HH21      ARG  46  25.256   2.493   3.596
  398   HH22  ARG  46          HH22      ARG  46  26.115   1.165   2.883
  399    H    GLN  47           HN       GLN  47  20.039   4.292   5.180
  400    HA   GLN  47           HA       GLN  47  18.501   2.183   6.270
  401    HB2  GLN  47           HB2      GLN  47  19.872   4.559   7.506
  402    HB3  GLN  47           HB1      GLN  47  18.906   3.458   8.472
  403    HG2  GLN  47           HG2      GLN  47  21.108   2.741   8.734
  404    HG3  GLN  47           HG1      GLN  47  20.393   1.606   7.594
  405   HE21  GLN  47          HE21      GLN  47  21.104   1.584   5.476
  406   HE22  GLN  47          HE22      GLN  47  22.539   2.409   4.973
  407    H    HIS  48           HN       HIS  48  17.949   5.618   5.840
  408    HA   HIS  48           HA       HIS  48  15.574   5.737   7.399
  409    HB2  HIS  48           HB2      HIS  48  17.108   7.688   6.651
  410    HB3  HIS  48           HB1      HIS  48  16.222   7.628   5.131
  411    HD1  HIS  48           HD1      HIS  48  16.185   9.246   8.321
  412    HD2  HIS  48           HD2      HIS  48  13.270   7.961   5.646
  413    HE1  HIS  48           HE1      HIS  48  14.100  10.515   8.925
  414    HE2  HIS  48           HE2      HIS  48  12.383   9.797   7.233
  415    H    ILE  49           HN       ILE  49  16.247   5.199   3.968
  416    HA   ILE  49           HA       ILE  49  13.550   5.254   3.096
  417    HB   ILE  49           HB       ILE  49  15.943   3.847   1.886
  418   HG12  ILE  49          HG12      ILE  49  14.611   6.476   1.197
  419   HG13  ILE  49          HG11      ILE  49  16.153   6.299   2.026
  420   HG21  ILE  49          HG21      ILE  49  14.655   3.674  -0.157
  421   HG22  ILE  49          HG22      ILE  49  13.274   4.447   0.619
  422   HG23  ILE  49          HG23      ILE  49  13.810   2.854   1.157
  423   HD11  ILE  49          HD11      ILE  49  16.486   6.851  -0.307
  424   HD12  ILE  49          HD12      ILE  49  15.547   5.440  -0.795
  425   HD13  ILE  49          HD13      ILE  49  17.090   5.230   0.032
  426    H    TYR  50           HN       TYR  50  15.710   2.541   3.966
  427    HA   TYR  50           HA       TYR  50  13.947   0.449   3.722
  428    HB2  TYR  50           HB2      TYR  50  16.337   0.200   4.263
  429    HB3  TYR  50           HB1      TYR  50  16.043   0.838   5.875
  430    HD1  TYR  50           HD1      TYR  50  15.638  -0.640   7.622
  431    HD2  TYR  50           HD2      TYR  50  15.031  -1.966   3.627
  432    HE1  TYR  50           HE1      TYR  50  15.247  -2.918   8.447
  433    HE2  TYR  50           HE2      TYR  50  14.634  -4.253   4.444
  434    HH   TYR  50           HH       TYR  50  15.185  -5.628   6.415
  435    H    GLN  51           HN       GLN  51  14.287   2.683   6.456
  436    HA   GLN  51           HA       GLN  51  12.344   1.388   8.092
  437    HB2  GLN  51           HB2      GLN  51  14.111   2.969   8.939
  438    HB3  GLN  51           HB1      GLN  51  13.209   4.285   8.201
  439    HG2  GLN  51           HG2      GLN  51  12.740   4.155  10.570
  440    HG3  GLN  51           HG1      GLN  51  11.293   3.792   9.630
  441   HE21  GLN  51          HE21      GLN  51  10.336   2.686  11.319
  442   HE22  GLN  51          HE22      GLN  51  10.873   1.121  11.831
  443    H    ARG  52           HN       ARG  52  12.229   4.068   5.793
  444    HA   ARG  52           HA       ARG  52   9.541   4.799   6.206
  445    HB2  ARG  52           HB2      ARG  52  11.244   6.151   4.960
  446    HB3  ARG  52           HB1      ARG  52  11.134   5.000   3.639
  447    HG2  ARG  52           HG2      ARG  52   9.821   6.959   3.137
  448    HG3  ARG  52           HG1      ARG  52   8.759   5.567   3.354
  449    HD2  ARG  52           HD2      ARG  52   8.257   6.301   5.630
  450    HD3  ARG  52           HD1      ARG  52   9.332   7.684   5.432
  451    HE   ARG  52           HE       ARG  52   7.638   8.112   3.432
  452   HH11  ARG  52          HH11      ARG  52   6.981   7.116   6.731
  453   HH12  ARG  52          HH12      ARG  52   5.416   7.869   6.776
  454   HH21  ARG  52          HH21      ARG  52   5.582   9.103   3.497
  455   HH22  ARG  52          HH22      ARG  52   4.620   9.001   4.938
  456    H    CYS  53           HN       CYS  53  11.060   2.290   4.350
  457    HA   CYS  53           HA       CYS  53   8.816   1.535   2.775
  458    HB2  CYS  53           HB2      CYS  53  11.064   0.808   2.149
  459    HB3  CYS  53           HB1      CYS  53  11.226  -0.083   3.664
  460    HG   CYS  53           HG       CYS  53  10.435  -1.359   0.920
  461    H    ILE  54           HN       ILE  54  10.124   0.381   5.858
  462    HA   ILE  54           HA       ILE  54   8.247  -1.625   6.353
  463    HB   ILE  54           HB       ILE  54   9.805   0.091   8.283
  464   HG12  ILE  54          HG12      ILE  54  10.192  -2.750   7.295
  465   HG13  ILE  54          HG11      ILE  54  11.172  -1.356   6.845
  466   HG21  ILE  54          HG21      ILE  54   9.260  -1.552  10.006
  467   HG22  ILE  54          HG22      ILE  54   8.210  -2.399   8.869
  468   HG23  ILE  54          HG23      ILE  54   7.807  -0.763   9.390
  469   HD11  ILE  54          HD11      ILE  54  10.951  -2.535   9.605
  470   HD12  ILE  54          HD12      ILE  54  11.950  -1.157   9.146
  471   HD13  ILE  54          HD13      ILE  54  12.294  -2.755   8.485
  472    H    GLN  55           HN       GLN  55   8.156   1.833   7.112
  473    HA   GLN  55           HA       GLN  55   5.810   1.818   8.655
  474    HB2  GLN  55           HB2      GLN  55   6.939   3.979   6.875
  475    HB3  GLN  55           HB1      GLN  55   5.630   4.223   8.022
  476    HG2  GLN  55           HG2      GLN  55   7.098   3.705   9.863
  477    HG3  GLN  55           HG1      GLN  55   8.413   3.335   8.745
  478   HE21  GLN  55          HE21      GLN  55   8.226   5.346  10.874
  479   HE22  GLN  55          HE22      GLN  55   8.525   6.870  10.112
  480    H    LEU  56           HN       LEU  56   6.192   2.638   5.200
  481    HA   LEU  56           HA       LEU  56   3.516   2.774   4.558
  482    HB2  LEU  56           HB2      LEU  56   5.708   1.747   2.753
  483    HB3  LEU  56           HB1      LEU  56   4.172   2.408   2.238
  484    HG   LEU  56           HG       LEU  56   6.390   3.925   3.617
  485   HD11  LEU  56          HD11      LEU  56   5.356   4.032   0.789
  486   HD12  LEU  56          HD12      LEU  56   6.908   3.379   1.316
  487   HD13  LEU  56          HD13      LEU  56   6.575   5.104   1.480
  488   HD21  LEU  56          HD21      LEU  56   3.701   4.872   2.628
  489   HD22  LEU  56          HD22      LEU  56   5.016   5.920   3.154
  490   HD23  LEU  56          HD23      LEU  56   4.253   4.822   4.302
  491    H    LYS  57           HN       LYS  57   5.584  -0.085   4.707
  492    HA   LYS  57           HA       LYS  57   3.738  -1.881   3.562
  493    HB2  LYS  57           HB2      LYS  57   6.147  -2.381   3.882
  494    HB3  LYS  57           HB1      LYS  57   5.876  -2.468   5.617
  495    HG2  LYS  57           HG2      LYS  57   4.377  -4.366   5.298
  496    HG3  LYS  57           HG1      LYS  57   4.622  -4.270   3.554
  497    HD2  LYS  57           HD2      LYS  57   6.019  -6.014   4.475
  498    HD3  LYS  57           HD1      LYS  57   7.031  -4.690   3.900
  499    HE2  LYS  57           HE2      LYS  57   7.245  -3.859   6.188
  500    HE3  LYS  57           HE1      LYS  57   6.219  -5.171   6.765
  501    HZ1  LYS  57           HZ1      LYS  57   7.875  -6.746   5.947
  502    HZ2  LYS  57           HZ2      LYS  57   8.530  -5.699   7.099
  503    HZ3  LYS  57           HZ3      LYS  57   8.868  -5.465   5.462
  504    H    GLN  58           HN       GLN  58   4.296  -0.815   6.867
  505    HA   GLN  58           HA       GLN  58   2.389  -2.452   8.128
  506    HB2  GLN  58           HB2      GLN  58   4.100  -1.206   9.371
  507    HB3  GLN  58           HB1      GLN  58   3.350   0.312   8.898
  508    HG2  GLN  58           HG2      GLN  58   2.777  -0.241  11.171
  509    HG3  GLN  58           HG1      GLN  58   1.340  -0.294  10.151
  510   HE21  GLN  58          HE21      GLN  58   0.371  -2.277   9.712
  511   HE22  GLN  58          HE22      GLN  58   0.727  -3.697  10.635
  512    H    ALA  59           HN       ALA  59   2.137   0.723   6.591
  513    HA   ALA  59           HA       ALA  59  -0.537   1.245   7.270
  514    HB1  ALA  59           HB1      ALA  59  -0.467   2.926   5.537
  515    HB2  ALA  59           HB2      ALA  59   0.974   2.185   4.838
  516    HB3  ALA  59           HB3      ALA  59   1.054   2.932   6.433
  517    H    ILE  60           HN       ILE  60   0.918  -0.432   4.511
  518    HA   ILE  60           HA       ILE  60  -1.468  -0.833   3.055
  519    HB   ILE  60           HB       ILE  60   1.024  -2.550   3.110
  520   HG12  ILE  60          HG12      ILE  60   0.187  -0.362   1.194
  521   HG13  ILE  60          HG11      ILE  60   1.411  -0.191   2.449
  522   HG21  ILE  60          HG21      ILE  60  -1.213  -2.446   1.093
  523   HG22  ILE  60          HG22      ILE  60  -0.898  -3.762   2.222
  524   HG23  ILE  60          HG23      ILE  60   0.262  -3.398   0.946
  525   HD11  ILE  60          HD11      ILE  60   2.471  -0.536   0.324
  526   HD12  ILE  60          HD12      ILE  60   1.528  -1.999   0.047
  527   HD13  ILE  60          HD13      ILE  60   2.731  -1.958   1.334
  528    H    ASP  61           HN       ASP  61   0.181  -2.767   5.506
  529    HA   ASP  61           HA       ASP  61  -1.566  -4.993   5.428
  530    HB2  ASP  61           HB2      ASP  61   0.722  -4.973   6.482
  531    HB3  ASP  61           HB1      ASP  61   0.046  -4.032   7.809
  532    H    GLU  62           HN       GLU  62  -1.592  -1.977   7.226
  533    HA   GLU  62           HA       GLU  62  -3.753  -2.512   8.934
  534    HB2  GLU  62           HB2      GLU  62  -2.287  -0.602   9.263
  535    HB3  GLU  62           HB1      GLU  62  -2.790   0.088   7.726
  536    HG2  GLU  62           HG2      GLU  62  -5.047   0.389   8.592
  537    HG3  GLU  62           HG1      GLU  62  -4.551  -0.318  10.129
  538    H    ASN  63           HN       ASN  63  -3.620  -1.046   5.705
  539    HA   ASN  63           HA       ASN  63  -6.393  -0.677   5.382
  540    HB2  ASN  63           HB2      ASN  63  -4.134  -0.984   3.413
  541    HB3  ASN  63           HB1      ASN  63  -5.801  -0.789   2.884
  542   HD21  ASN  63          HD21      ASN  63  -5.273   1.156   1.868
  543   HD22  ASN  63          HD22      ASN  63  -4.987   2.599   2.772
  544    H    LYS  64           HN       LYS  64  -4.244  -3.368   4.642
  545    HA   LYS  64           HA       LYS  64  -6.061  -5.024   3.322
  546    HB2  LYS  64           HB2      LYS  64  -3.555  -5.333   3.578
  547    HB3  LYS  64           HB1      LYS  64  -3.875  -5.960   5.186
  548    HG2  LYS  64           HG2      LYS  64  -5.152  -7.791   4.257
  549    HG3  LYS  64           HG1      LYS  64  -4.950  -7.133   2.631
  550    HD2  LYS  64           HD2      LYS  64  -2.510  -7.398   2.848
  551    HD3  LYS  64           HD1      LYS  64  -2.746  -8.108   4.446
  552    HE2  LYS  64           HE2      LYS  64  -3.961  -9.963   3.494
  553    HE3  LYS  64           HE1      LYS  64  -3.902  -9.229   1.892
  554    HZ1  LYS  64           HZ1      LYS  64  -1.490  -9.451   1.935
  555    HZ2  LYS  64           HZ2      LYS  64  -2.240 -10.953   2.120
  556    HZ3  LYS  64           HZ3      LYS  64  -1.563 -10.177   3.460
  557    H    ASN  65           HN       ASN  65  -5.385  -4.653   6.788
  558    HA   ASN  65           HA       ASN  65  -7.245  -6.601   7.673
  559    HB2  ASN  65           HB2      ASN  65  -5.889  -4.270   8.986
  560    HB3  ASN  65           HB1      ASN  65  -7.187  -5.109   9.826
  561   HD21  ASN  65          HD21      ASN  65  -6.892  -7.284  10.407
  562   HD22  ASN  65          HD22      ASN  65  -5.310  -7.973  10.529
  563    H    ALA  66           HN       ALA  66  -7.490  -3.090   7.254
  564    HA   ALA  66           HA       ALA  66 -10.127  -2.799   8.156
  565    HB1  ALA  66           HB1      ALA  66 -10.123  -0.668   6.968
  566    HB2  ALA  66           HB2      ALA  66  -8.672  -1.151   6.089
  567    HB3  ALA  66           HB3      ALA  66  -8.607  -0.908   7.835
  568    H    LEU  67           HN       LEU  67  -8.820  -3.547   4.974
  569    HA   LEU  67           HA       LEU  67 -11.282  -3.462   3.581
  570    HB2  LEU  67           HB2      LEU  67  -9.142  -3.267   2.445
  571    HB3  LEU  67           HB1      LEU  67  -8.698  -4.884   2.950
  572    HG   LEU  67           HG       LEU  67 -10.440  -5.833   1.534
  573   HD11  LEU  67          HD11      LEU  67 -11.628  -4.352  -0.074
  574   HD12  LEU  67          HD12      LEU  67 -11.044  -2.967   0.845
  575   HD13  LEU  67          HD13      LEU  67 -12.123  -4.136   1.602
  576   HD21  LEU  67          HD21      LEU  67  -8.692  -3.846   0.096
  577   HD22  LEU  67          HD22      LEU  67  -9.478  -5.244  -0.634
  578   HD23  LEU  67          HD23      LEU  67  -8.230  -5.475   0.589
  579    H    GLN  68           HN       GLN  68  -9.450  -6.114   5.076
  580    HA   GLN  68           HA       GLN  68 -11.163  -8.193   4.363
  581    HB2  GLN  68           HB2      GLN  68  -8.961  -8.542   5.389
  582    HB3  GLN  68           HB1      GLN  68  -9.560  -7.892   6.908
  583    HG2  GLN  68           HG2      GLN  68 -11.111  -9.737   7.120
  584    HG3  GLN  68           HG1      GLN  68 -10.600 -10.370   5.556
  585   HE21  GLN  68          HE21      GLN  68  -8.370  -8.956   7.828
  586   HE22  GLN  68          HE22      GLN  68  -7.554 -10.424   8.233
  587    H    LYS  69           HN       LYS  69 -11.436  -5.800   6.902
  588    HA   LYS  69           HA       LYS  69 -13.816  -7.090   7.984
  589    HB2  LYS  69           HB2      LYS  69 -12.062  -6.064   9.474
  590    HB3  LYS  69           HB1      LYS  69 -12.515  -4.491   8.834
  591    HG2  LYS  69           HG2      LYS  69 -13.530  -4.935  11.013
  592    HG3  LYS  69           HG1      LYS  69 -14.742  -4.718   9.751
  593    HD2  LYS  69           HD2      LYS  69 -14.975  -7.159   9.579
  594    HD3  LYS  69           HD1      LYS  69 -13.781  -7.357  10.860
  595    HE2  LYS  69           HE2      LYS  69 -16.070  -7.572  11.708
  596    HE3  LYS  69           HE1      LYS  69 -15.235  -6.197  12.422
  597    HZ1  LYS  69           HZ1      LYS  69 -16.405  -4.723  10.953
  598    HZ2  LYS  69           HZ2      LYS  69 -17.528  -5.692  11.762
  599    HZ3  LYS  69           HZ3      LYS  69 -17.140  -6.020  10.152
  600    H    LEU  70           HN       LEU  70 -13.224  -5.273   5.381
  601    HA   LEU  70           HA       LEU  70 -15.280  -3.262   5.700
  602    HB2  LEU  70           HB2      LEU  70 -13.091  -2.880   4.524
  603    HB3  LEU  70           HB1      LEU  70 -13.664  -3.929   3.245
  604    HG   LEU  70           HG       LEU  70 -15.458  -2.365   2.722
  605   HD11  LEU  70          HD11      LEU  70 -15.516  -0.158   3.825
  606   HD12  LEU  70          HD12      LEU  70 -14.311  -0.728   4.979
  607   HD13  LEU  70          HD13      LEU  70 -15.906  -1.479   4.927
  608   HD21  LEU  70          HD21      LEU  70 -12.792  -0.977   2.956
  609   HD22  LEU  70          HD22      LEU  70 -14.099  -0.556   1.849
  610   HD23  LEU  70          HD23      LEU  70 -13.250  -2.091   1.671
  611    H    SER  71           HN       SER  71 -16.727  -5.259   6.070
  612    HA   SER  71           HA       SER  71 -18.295  -5.511   3.618
  613    HB2  SER  71           HB2      SER  71 -17.656  -7.837   5.460
  614    HB3  SER  71           HB1      SER  71 -18.783  -7.891   4.106
  615    HG   SER  71           HG       SER  71 -16.237  -6.967   3.512
  616    H    LYS  72           HN       LYS  72 -20.153  -4.510   4.128
  617    HA   LYS  72           HA       LYS  72 -20.979  -4.480   6.940
  618    HB2  LYS  72           HB2      LYS  72 -22.410  -2.528   6.185
  619    HB3  LYS  72           HB1      LYS  72 -20.670  -2.271   6.103
  620    HG2  LYS  72           HG2      LYS  72 -20.745  -2.754   3.673
  621    HG3  LYS  72           HG1      LYS  72 -22.501  -2.922   3.786
  622    HD2  LYS  72           HD2      LYS  72 -22.581  -0.583   4.691
  623    HD3  LYS  72           HD1      LYS  72 -20.859  -0.447   4.330
  624    HE2  LYS  72           HE2      LYS  72 -21.320  -0.881   1.968
  625    HE3  LYS  72           HE1      LYS  72 -23.037  -1.039   2.328
  626    HZ1  LYS  72           HZ1      LYS  72 -22.378   1.168   1.451
  627    HZ2  LYS  72           HZ2      LYS  72 -21.467   1.418   2.854
  628    HZ3  LYS  72           HZ3      LYS  72 -23.148   1.237   2.964
  629    H    ALA  73           HN       ALA  73 -22.455  -5.928   7.463
  630    HA   ALA  73           HA       ALA  73 -24.185  -7.135   5.511
  631    HB1  ALA  73           HB1      ALA  73 -23.190  -8.430   7.333
  632    HB2  ALA  73           HB2      ALA  73 -24.951  -8.523   7.346
  633    HB3  ALA  73           HB3      ALA  73 -24.113  -7.486   8.500
  634    H    ASP  74           HN       ASP  74 -24.420  -4.486   7.692
  635    HA   ASP  74           HA       ASP  74 -27.279  -4.628   8.022
  636    HB2  ASP  74           HB2      ASP  74 -27.064  -2.548   9.257
  637    HB3  ASP  74           HB1      ASP  74 -25.787  -3.647   9.765
  638    H    GLU  75           HN       GLU  75 -25.357  -3.759   5.500
  639    HA   GLU  75           HA       GLU  75 -27.455  -2.036   4.365
  640    HB2  GLU  75           HB2      GLU  75 -24.461  -1.733   4.126
  641    HB3  GLU  75           HB1      GLU  75 -25.595  -0.924   3.053
  642    HG2  GLU  75           HG2      GLU  75 -26.561   0.266   4.917
  643    HG3  GLU  75           HG1      GLU  75 -25.514  -0.597   6.042
  644    H    SER  76           HN       SER  76 -27.496  -2.094   1.984
  645    HA   SER  76           HA       SER  76 -27.253  -4.817   1.080
  646    HB2  SER  76           HB2      SER  76 -29.238  -3.487   0.502
  647    HB3  SER  76           HB1      SER  76 -28.222  -2.342  -0.370
  648    HG   SER  76           HG       SER  76 -28.569  -5.096  -0.990
  649    H    ALA  77           HN       ALA  77 -25.798  -5.619  -0.329
  650    HA   ALA  77           HA       ALA  77 -23.779  -3.783  -1.420
  651    HB1  ALA  77           HB1      ALA  77 -22.833  -4.965   0.482
  652    HB2  ALA  77           HB2      ALA  77 -22.080  -5.515  -1.014
  653    HB3  ALA  77           HB3      ALA  77 -23.302  -6.510  -0.224
  654    HA   PRO  78           HA       PRO  78 -25.234  -5.762  -5.205
  655    HB2  PRO  78           HB2      PRO  78 -22.956  -4.282  -6.378
  656    HB3  PRO  78           HB1      PRO  78 -24.669  -4.220  -6.804
  657    HG2  PRO  78           HG2      PRO  78 -23.493  -2.193  -5.521
  658    HG3  PRO  78           HG1      PRO  78 -25.160  -2.673  -5.156
  659    HD2  PRO  78           HD2      PRO  78 -22.646  -3.256  -3.629
  660    HD3  PRO  78           HD1      PRO  78 -24.254  -2.805  -3.023
  661    H    VAL  79           HN       VAL  79 -24.551  -7.878  -4.718
  662    HA   VAL  79           HA       VAL  79 -21.887  -8.694  -4.479
  663    HB   VAL  79           HB       VAL  79 -22.681 -10.988  -4.730
  664   HG11  VAL  79          HG11      VAL  79 -24.485  -9.242  -3.066
  665   HG12  VAL  79          HG12      VAL  79 -22.929  -9.914  -2.581
  666   HG13  VAL  79          HG13      VAL  79 -24.298 -10.984  -2.876
  667   HG21  VAL  79          HG21      VAL  79 -25.342  -9.760  -5.440
  668   HG22  VAL  79          HG22      VAL  79 -25.028 -11.474  -5.180
  669   HG23  VAL  79          HG23      VAL  79 -24.285 -10.639  -6.543
  670    H    ALA  80           HN       ALA  80 -20.923 -10.443  -5.902
  671    HA   ALA  80           HA       ALA  80 -19.834 -10.991  -7.804
  672    HB1  ALA  80           HB1      ALA  80 -20.837 -10.640  -9.987
  673    HB2  ALA  80           HB2      ALA  80 -22.059  -9.589  -9.273
  674    HB3  ALA  80           HB3      ALA  80 -22.013 -11.300  -8.853
  675    H    ASN  81           HN       ASN  81 -21.185  -7.735  -8.395
  676    HA   ASN  81           HA       ASN  81 -18.763  -6.719  -9.474
  677    HB2  ASN  81           HB2      ASN  81 -21.166  -5.290  -8.304
  678    HB3  ASN  81           HB1      ASN  81 -19.814  -4.458  -9.066
  679   HD21  ASN  81          HD21      ASN  81 -19.534  -4.604 -11.283
  680   HD22  ASN  81          HD22      ASN  81 -20.779  -5.183 -12.335
  681    H    TYR  82           HN       TYR  82 -20.301  -6.323  -6.292
  682    HA   TYR  82           HA       TYR  82 -18.218  -4.912  -5.047
  683    HB2  TYR  82           HB2      TYR  82 -20.582  -5.310  -4.167
  684    HB3  TYR  82           HB1      TYR  82 -20.052  -6.917  -3.690
  685    HD1  TYR  82           HD1      TYR  82 -18.350  -7.167  -1.889
  686    HD2  TYR  82           HD2      TYR  82 -20.043  -3.370  -2.833
  687    HE1  TYR  82           HE1      TYR  82 -17.538  -6.273   0.250
  688    HE2  TYR  82           HE2      TYR  82 -19.233  -2.476  -0.695
  689    HH   TYR  82           HH       TYR  82 -18.527  -3.205   1.474
  690    H    ASN  83           HN       ASN  83 -18.732  -8.349  -5.569
  691    HA   ASN  83           HA       ASN  83 -16.748  -9.284  -3.778
  692    HB2  ASN  83           HB2      ASN  83 -17.900 -10.652  -6.225
  693    HB3  ASN  83           HB1      ASN  83 -16.978 -11.441  -4.951
  694   HD21  ASN  83          HD21      ASN  83 -18.645 -12.845  -4.439
  695   HD22  ASN  83          HD22      ASN  83 -20.079 -12.323  -3.623
  696    H    GLN  84           HN       GLN  84 -16.740  -8.716  -7.280
  697    HA   GLN  84           HA       GLN  84 -14.043  -9.543  -7.648
  698    HB2  GLN  84           HB2      GLN  84 -15.940  -7.948  -9.364
  699    HB3  GLN  84           HB1      GLN  84 -14.304  -8.344  -9.874
  700    HG2  GLN  84           HG2      GLN  84 -16.391 -10.374  -9.111
  701    HG3  GLN  84           HG1      GLN  84 -16.032  -9.875 -10.762
  702   HE21  GLN  84          HE21      GLN  84 -14.880 -11.624  -7.981
  703   HE22  GLN  84          HE22      GLN  84 -13.599 -12.451  -8.792
  704    H    ARG  85           HN       ARG  85 -15.612  -6.420  -7.176
  705    HA   ARG  85           HA       ARG  85 -13.352  -4.805  -7.659
  706    HB2  ARG  85           HB2      ARG  85 -15.667  -3.938  -7.574
  707    HB3  ARG  85           HB1      ARG  85 -15.718  -4.261  -5.848
  708    HG2  ARG  85           HG2      ARG  85 -15.324  -1.950  -6.113
  709    HG3  ARG  85           HG1      ARG  85 -13.803  -2.669  -5.586
  710    HD2  ARG  85           HD2      ARG  85 -13.317  -1.103  -7.322
  711    HD3  ARG  85           HD1      ARG  85 -13.087  -2.724  -7.974
  712    HE   ARG  85           HE       ARG  85 -15.710  -1.896  -8.526
  713   HH11  ARG  85          HH11      ARG  85 -12.421  -1.102  -9.417
  714   HH12  ARG  85          HH12      ARG  85 -12.846  -0.556 -11.007
  715   HH21  ARG  85          HH21      ARG  85 -16.277  -1.165 -10.625
  716   HH22  ARG  85          HH22      ARG  85 -15.030  -0.600 -11.695
  717    H    LYS  86           HN       LYS  86 -14.556  -6.426  -4.784
  718    HA   LYS  86           HA       LYS  86 -12.775  -5.304  -2.920
  719    HB2  LYS  86           HB2      LYS  86 -14.725  -6.469  -2.158
  720    HB3  LYS  86           HB1      LYS  86 -14.238  -7.946  -2.987
  721    HG2  LYS  86           HG2      LYS  86 -12.270  -8.088  -1.454
  722    HG3  LYS  86           HG1      LYS  86 -12.911  -6.695  -0.573
  723    HD2  LYS  86           HD2      LYS  86 -14.198  -9.417  -0.884
  724    HD3  LYS  86           HD1      LYS  86 -13.527  -8.714   0.585
  725    HE2  LYS  86           HE2      LYS  86 -15.259  -6.971   0.548
  726    HE3  LYS  86           HE1      LYS  86 -15.933  -7.673  -0.925
  727    HZ1  LYS  86           HZ1      LYS  86 -16.322  -9.731   0.341
  728    HZ2  LYS  86           HZ2      LYS  86 -17.183  -8.416   0.960
  729    HZ3  LYS  86           HZ3      LYS  86 -15.789  -8.958   1.747
  730    H    GLU  87           HN       GLU  87 -12.507  -8.078  -5.084
  731    HA   GLU  87           HA       GLU  87 -10.040  -9.014  -4.001
  732    HB2  GLU  87           HB2      GLU  87 -11.365  -9.573  -6.655
  733    HB3  GLU  87           HB1      GLU  87  -9.919 -10.389  -6.077
  734    HG2  GLU  87           HG2      GLU  87 -12.678 -10.495  -4.887
  735    HG3  GLU  87           HG1      GLU  87 -11.787 -11.799  -5.665
  736    H    GLU  88           HN       GLU  88 -10.926  -6.924  -6.704
  737    HA   GLU  88           HA       GLU  88  -8.377  -6.560  -7.809
  738    HB2  GLU  88           HB2      GLU  88 -10.728  -4.669  -7.651
  739    HB3  GLU  88           HB1      GLU  88  -9.282  -4.343  -8.595
  740    HG2  GLU  88           HG2      GLU  88 -11.131  -6.685  -8.995
  741    HG3  GLU  88           HG1      GLU  88 -11.128  -5.206  -9.951
  742    H    GLU  89           HN       GLU  89  -9.993  -4.989  -5.112
  743    HA   GLU  89           HA       GLU  89  -8.043  -3.004  -4.620
  744    HB2  GLU  89           HB2      GLU  89 -10.516  -3.467  -3.672
  745    HB3  GLU  89           HB1      GLU  89  -9.584  -4.140  -2.343
  746    HG2  GLU  89           HG2      GLU  89 -10.081  -1.890  -1.802
  747    HG3  GLU  89           HG1      GLU  89  -8.367  -1.961  -2.210
  748    H    HIS  90           HN       HIS  90  -8.474  -6.329  -3.518
  749    HA   HIS  90           HA       HIS  90  -6.293  -6.416  -1.722
  750    HB2  HIS  90           HB2      HIS  90  -7.892  -8.481  -3.173
  751    HB3  HIS  90           HB1      HIS  90  -6.325  -8.968  -2.538
  752    HD1  HIS  90           HD1      HIS  90  -6.114  -9.286  -0.024
  753    HD2  HIS  90           HD2      HIS  90  -9.831  -7.845  -1.188
  754    HE1  HIS  90           HE1      HIS  90  -7.588  -9.499   2.002
  755    HE2  HIS  90           HE2      HIS  90  -9.867  -8.794   1.214
  756    H    THR  91           HN       THR  91  -6.555  -7.027  -5.193
  757    HA   THR  91           HA       THR  91  -3.963  -8.032  -5.585
  758    HB   THR  91           HB       THR  91  -5.631  -6.518  -7.599
  759    HG1  THR  91           HG1      THR  91  -5.981  -8.967  -6.372
  760   HG21  THR  91          HG21      THR  91  -3.545  -8.681  -7.933
  761   HG22  THR  91          HG22      THR  91  -3.327  -6.973  -8.311
  762   HG23  THR  91          HG23      THR  91  -4.479  -7.939  -9.230
  763    H    LEU  92           HN       LEU  92  -5.202  -4.740  -5.471
  764    HA   LEU  92           HA       LEU  92  -2.889  -3.513  -6.591
  765    HB2  LEU  92           HB2      LEU  92  -5.043  -2.376  -6.593
  766    HB3  LEU  92           HB1      LEU  92  -5.080  -2.381  -4.841
  767    HG   LEU  92           HG       LEU  92  -3.081  -0.898  -4.837
  768   HD11  LEU  92          HD11      LEU  92  -2.451   0.231  -6.913
  769   HD12  LEU  92          HD12      LEU  92  -3.559  -0.802  -7.814
  770   HD13  LEU  92          HD13      LEU  92  -2.158  -1.505  -7.005
  771   HD21  LEU  92          HD21      LEU  92  -5.337   0.011  -4.624
  772   HD22  LEU  92          HD22      LEU  92  -5.458   0.136  -6.379
  773   HD23  LEU  92          HD23      LEU  92  -4.281   1.116  -5.504
  774    H    LEU  93           HN       LEU  93  -4.069  -3.877  -3.254
  775    HA   LEU  93           HA       LEU  93  -1.815  -2.668  -2.049
  776    HB2  LEU  93           HB2      LEU  93  -3.797  -4.630  -0.885
  777    HB3  LEU  93           HB1      LEU  93  -2.648  -3.689   0.043
  778    HG   LEU  93           HG       LEU  93  -4.895  -2.540  -1.613
  779   HD11  LEU  93          HD11      LEU  93  -5.915  -1.990   0.533
  780   HD12  LEU  93          HD12      LEU  93  -4.601  -2.809   1.376
  781   HD13  LEU  93          HD13      LEU  93  -5.707  -3.732   0.356
  782   HD21  LEU  93          HD21      LEU  93  -2.930  -1.223   0.260
  783   HD22  LEU  93          HD22      LEU  93  -4.313  -0.433  -0.498
  784   HD23  LEU  93          HD23      LEU  93  -2.988  -1.038  -1.494
  785    H    ASP  94           HN       ASP  94  -2.540  -5.925  -3.048
  786    HA   ASP  94           HA       ASP  94  -0.529  -7.255  -1.573
  787    HB2  ASP  94           HB2      ASP  94  -2.387  -8.490  -2.564
  788    HB3  ASP  94           HB1      ASP  94  -1.859  -8.030  -4.180
  789    H    LYS  95           HN       LYS  95  -0.537  -5.933  -4.908
  790    HA   LYS  95           HA       LYS  95   2.083  -6.791  -5.497
  791    HB2  LYS  95           HB2      LYS  95   0.455  -6.148  -7.233
  792    HB3  LYS  95           HB1      LYS  95   0.504  -4.483  -6.666
  793    HG2  LYS  95           HG2      LYS  95   2.867  -4.338  -7.282
  794    HG3  LYS  95           HG1      LYS  95   2.826  -6.012  -7.840
  795    HD2  LYS  95           HD2      LYS  95   1.115  -5.394  -9.501
  796    HD3  LYS  95           HD1      LYS  95   1.229  -3.715  -8.971
  797    HE2  LYS  95           HE2      LYS  95   2.546  -4.134 -11.002
  798    HE3  LYS  95           HE1      LYS  95   3.559  -3.630  -9.650
  799    HZ1  LYS  95           HZ1      LYS  95   4.151  -5.945  -9.277
  800    HZ2  LYS  95           HZ2      LYS  95   4.544  -5.476 -10.853
  801    HZ3  LYS  95           HZ3      LYS  95   3.174  -6.426 -10.571
  802    H    LEU  96           HN       LEU  96   0.795  -3.735  -4.231
  803    HA   LEU  96           HA       LEU  96   3.184  -2.329  -4.060
  804    HB2  LEU  96           HB2      LEU  96   0.923  -2.273  -2.057
  805    HB3  LEU  96           HB1      LEU  96   2.170  -1.057  -2.231
  806    HG   LEU  96           HG       LEU  96   0.061  -1.714  -4.288
  807   HD11  LEU  96          HD11      LEU  96  -0.790  -0.564  -2.281
  808   HD12  LEU  96          HD12      LEU  96  -0.879   0.439  -3.726
  809   HD13  LEU  96          HD13      LEU  96   0.392   0.720  -2.538
  810   HD21  LEU  96          HD21      LEU  96   0.905   0.256  -5.467
  811   HD22  LEU  96          HD22      LEU  96   2.144  -0.990  -5.328
  812   HD23  LEU  96          HD23      LEU  96   2.191   0.423  -4.272
  813    H    THR  97           HN       THR  97   1.789  -4.643  -1.761
  814    HA   THR  97           HA       THR  97   3.774  -4.539   0.191
  815    HB   THR  97           HB       THR  97   2.295  -7.021  -0.700
  816    HG1  THR  97           HG1      THR  97   0.971  -5.087  -0.128
  817   HG21  THR  97          HG21      THR  97   2.637  -7.786   1.574
  818   HG22  THR  97          HG22      THR  97   3.454  -6.278   1.985
  819   HG23  THR  97          HG23      THR  97   4.192  -7.397   0.836
  820    H    GLN  98           HN       GLN  98   3.592  -6.503  -2.768
  821    HA   GLN  98           HA       GLN  98   5.899  -8.041  -2.332
  822    HB2  GLN  98           HB2      GLN  98   4.576  -7.195  -4.911
  823    HB3  GLN  98           HB1      GLN  98   5.846  -8.404  -4.804
  824    HG2  GLN  98           HG2      GLN  98   4.434  -9.839  -3.491
  825    HG3  GLN  98           HG1      GLN  98   3.182  -8.599  -3.426
  826   HE21  GLN  98          HE21      GLN  98   3.129 -11.345  -4.479
  827   HE22  GLN  98          HE22      GLN  98   2.601 -11.196  -6.120
  828    H    GLN  99           HN       GLN  99   5.420  -5.014  -4.097
  829    HA   GLN  99           HA       GLN  99   8.048  -4.833  -5.099
  830    HB2  GLN  99           HB2      GLN  99   6.131  -3.617  -6.056
  831    HB3  GLN  99           HB1      GLN  99   6.053  -2.618  -4.610
  832    HG2  GLN  99           HG2      GLN  99   8.241  -1.706  -5.085
  833    HG3  GLN  99           HG1      GLN  99   8.397  -2.759  -6.490
  834   HE21  GLN  99          HE21      GLN  99   7.176  -2.339  -8.326
  835   HE22  GLN  99          HE22      GLN  99   6.424  -0.802  -8.593
  836    H    LEU 100           HN       LEU 100   6.517  -3.364  -2.244
  837    HA   LEU 100           HA       LEU 100   8.776  -1.864  -1.462
  838    HB2  LEU 100           HB2      LEU 100   6.466  -2.919   0.168
  839    HB3  LEU 100           HB1      LEU 100   7.668  -1.800   0.780
  840    HG   LEU 100           HG       LEU 100   5.665  -1.277  -1.415
  841   HD11  LEU 100          HD11      LEU 100   6.024  -0.071   1.322
  842   HD12  LEU 100          HD12      LEU 100   4.759  -1.202   0.845
  843   HD13  LEU 100          HD13      LEU 100   4.817   0.408   0.129
  844   HD21  LEU 100          HD21      LEU 100   7.720  -0.186  -2.020
  845   HD22  LEU 100          HD22      LEU 100   7.909   0.452  -0.387
  846   HD23  LEU 100          HD23      LEU 100   6.590   1.020  -1.410
  847    H    GLN 101           HN       GLN 101   7.591  -5.049  -0.493
  848    HA   GLN 101           HA       GLN 101   9.595  -5.602   1.398
  849    HB2  GLN 101           HB2      GLN 101   7.483  -6.839   1.276
  850    HB3  GLN 101           HB1      GLN 101   7.934  -7.491  -0.290
  851    HG2  GLN 101           HG2      GLN 101   9.711  -7.996   2.044
  852    HG3  GLN 101           HG1      GLN 101   8.199  -8.890   1.912
  853   HE21  GLN 101          HE21      GLN 101  10.974  -9.817   1.760
  854   HE22  GLN 101          HE22      GLN 101  11.110 -10.632   0.239
  855    H    GLY 102           HN       GLY 102   9.415  -6.133  -2.091
  856    HA2  GLY 102           HA2      GLY 102  11.835  -7.604  -2.313
  857    HA3  GLY 102           HA1      GLY 102  11.019  -6.755  -3.616
  858    H    LEU 103           HN       LEU 103  11.067  -4.162  -2.701
  859    HA   LEU 103           HA       LEU 103  13.670  -3.353  -3.444
  860    HB2  LEU 103           HB2      LEU 103  11.665  -1.992  -3.853
  861    HB3  LEU 103           HB1      LEU 103  11.453  -1.772  -2.126
  862    HG   LEU 103           HG       LEU 103  13.598  -0.530  -2.040
  863   HD11  LEU 103          HD11      LEU 103  13.524  -0.810  -5.041
  864   HD12  LEU 103          HD12      LEU 103  14.699  -1.552  -3.954
  865   HD13  LEU 103          HD13      LEU 103  14.639   0.203  -4.123
  866   HD21  LEU 103          HD21      LEU 103  11.490   0.668  -2.269
  867   HD22  LEU 103          HD22      LEU 103  11.587   0.527  -4.025
  868   HD23  LEU 103          HD23      LEU 103  12.779   1.489  -3.149
  869    H    ALA 104           HN       ALA 104  12.028  -3.570  -0.329
  870    HA   ALA 104           HA       ALA 104  13.875  -2.289   1.299
  871    HB1  ALA 104           HB1      ALA 104  12.962  -3.692   3.125
  872    HB2  ALA 104           HB2      ALA 104  12.116  -4.660   1.918
  873    HB3  ALA 104           HB3      ALA 104  11.712  -2.955   2.125
  874    H    VAL 105           HN       VAL 105  13.776  -5.653   0.226
  875    HA   VAL 105           HA       VAL 105  16.035  -6.507   1.689
  876    HB   VAL 105           HB       VAL 105  14.769  -7.662  -0.793
  877   HG11  VAL 105          HG11      VAL 105  16.798  -8.897   1.056
  878   HG12  VAL 105          HG12      VAL 105  17.089  -8.389  -0.607
  879   HG13  VAL 105          HG13      VAL 105  15.976  -9.715  -0.272
  880   HG21  VAL 105          HG21      VAL 105  14.550  -8.416   2.115
  881   HG22  VAL 105          HG22      VAL 105  13.811  -9.285   0.771
  882   HG23  VAL 105          HG23      VAL 105  13.300  -7.638   1.144
  883    H    THR 106           HN       THR 106  15.633  -5.128  -1.524
  884    HA   THR 106           HA       THR 106  18.259  -5.575  -2.440
  885    HB   THR 106           HB       THR 106  16.434  -3.289  -3.205
  886    HG1  THR 106           HG1      THR 106  16.338  -6.014  -3.729
  887   HG21  THR 106          HG21      THR 106  18.741  -3.061  -4.004
  888   HG22  THR 106          HG22      THR 106  17.628  -3.366  -5.336
  889   HG23  THR 106          HG23      THR 106  18.649  -4.666  -4.725
  890    H    ILE 107           HN       ILE 107  16.793  -2.948  -0.592
  891    HA   ILE 107           HA       ILE 107  19.036  -1.210  -0.704
  892    HB   ILE 107           HB       ILE 107  16.808  -1.263   1.333
  893   HG12  ILE 107          HG12      ILE 107  17.032   0.394  -1.191
  894   HG13  ILE 107          HG11      ILE 107  16.063  -1.070  -1.062
  895   HG21  ILE 107          HG21      ILE 107  18.718   0.033   2.075
  896   HG22  ILE 107          HG22      ILE 107  17.375   1.101   1.670
  897   HG23  ILE 107          HG23      ILE 107  18.729   0.928   0.556
  898   HD11  ILE 107          HD11      ILE 107  15.681   1.442   0.546
  899   HD12  ILE 107          HD12      ILE 107  14.704  -0.022   0.666
  900   HD13  ILE 107          HD13      ILE 107  14.701   0.922  -0.823
  901    H    SER 108           HN       SER 108  17.961  -3.657   1.594
  902    HA   SER 108           HA       SER 108  20.063  -2.996   3.472
  903    HB2  SER 108           HB2      SER 108  19.092  -5.049   4.687
  904    HB3  SER 108           HB1      SER 108  18.047  -3.639   4.522
  905    HG   SER 108           HG       SER 108  16.915  -4.648   2.928
  906    H    ARG 109           HN       ARG 109  19.592  -5.036   0.806
  907    HA   ARG 109           HA       ARG 109  20.936  -6.403  -0.361
  908    HB2  ARG 109           HB2      ARG 109  23.036  -5.386   1.542
  909    HB3  ARG 109           HB1      ARG 109  23.382  -6.432   0.173
  910    HG2  ARG 109           HG2      ARG 109  22.366  -4.681  -1.302
  911    HG3  ARG 109           HG1      ARG 109  22.297  -3.629   0.115
  912    HD2  ARG 109           HD2      ARG 109  24.299  -3.174  -1.181
  913    HD3  ARG 109           HD1      ARG 109  24.719  -3.857   0.390
  914    HE   ARG 109           HE       ARG 109  24.667  -5.452  -2.095
  915   HH11  ARG 109          HH11      ARG 109  26.184  -4.545   0.930
  916   HH12  ARG 109          HH12      ARG 109  27.463  -5.706   0.780
  917   HH21  ARG 109          HH21      ARG 109  26.343  -6.962  -2.299
  918   HH22  ARG 109          HH22      ARG 109  27.552  -7.087  -1.064
  919    H    GLU 110           HN       GLU 110  20.126  -8.368  -0.060
  920    HA   GLU 110           HA       GLU 110  20.643  -9.895   2.332
  921    HB2  GLU 110           HB2      GLU 110  18.510 -10.114   1.126
  922    HB3  GLU 110           HB1      GLU 110  19.364 -10.701  -0.290
  923    HG2  GLU 110           HG2      GLU 110  18.265 -12.480   1.018
  924    HG3  GLU 110           HG1      GLU 110  20.004 -12.704   0.849
  925    H    ASN 111           HN       ASN 111  22.993  -9.540   2.002
  926    HA   ASN 111           HA       ASN 111  24.147 -11.595   0.236
  927    HB2  ASN 111           HB2      ASN 111  25.312  -8.905   1.009
  928    HB3  ASN 111           HB1      ASN 111  26.185 -10.146   0.120
  929   HD21  ASN 111          HD21      ASN 111  25.665 -10.536  -2.030
  930   HD22  ASN 111          HD22      ASN 111  24.683  -9.446  -2.950
  931    H    ILE 112           HN       ILE 112  23.313 -12.276   2.748
  932    HA   ILE 112           HA       ILE 112  25.424 -12.037   4.674
  933    HB   ILE 112           HB       ILE 112  23.083 -13.947   4.657
  934   HG12  ILE 112          HG12      ILE 112  23.363 -11.315   6.115
  935   HG13  ILE 112          HG11      ILE 112  22.475 -11.508   4.615
  936   HG21  ILE 112          HG21      ILE 112  24.884 -14.668   6.121
  937   HG22  ILE 112          HG22      ILE 112  23.493 -14.125   7.058
  938   HG23  ILE 112          HG23      ILE 112  24.905 -13.083   6.892
  939   HD11  ILE 112          HD11      ILE 112  20.945 -13.049   5.706
  940   HD12  ILE 112          HD12      ILE 112  20.998 -11.500   6.548
  941   HD13  ILE 112          HD13      ILE 112  21.853 -12.894   7.209
  942    H    THR 113           HN       THR 113  24.034 -14.849   3.010
  943    HA   THR 113           HA       THR 113  26.731 -16.016   2.895
  944    HB   THR 113           HB       THR 113  25.378 -18.249   2.840
  945    HG1  THR 113           HG1      THR 113  23.307 -17.950   3.135
  946   HG21  THR 113          HG21      THR 113  25.728 -16.653   5.381
  947   HG22  THR 113          HG22      THR 113  26.937 -17.686   4.617
  948   HG23  THR 113          HG23      THR 113  25.476 -18.397   5.301
  949    H    GLU 114           HN       GLU 114  23.607 -15.632   1.375
  950    HA   GLU 114           HA       GLU 114  22.966 -15.419  -0.774
  951    HB2  GLU 114           HB2      GLU 114  25.925 -15.461  -1.334
  952    HB3  GLU 114           HB1      GLU 114  24.698 -15.156  -2.549
  953    HG2  GLU 114           HG2      GLU 114  23.948 -13.191  -1.313
  954    HG3  GLU 114           HG1      GLU 114  25.180 -13.499  -0.088
  955    H    VAL 115           HN       VAL 115  25.684 -17.723  -0.805
  956    HA   VAL 115           HA       VAL 115  23.988 -19.507  -2.415
  957    HB   VAL 115           HB       VAL 115  26.134 -20.606  -3.094
  958   HG11  VAL 115          HG11      VAL 115  25.870 -17.669  -3.734
  959   HG12  VAL 115          HG12      VAL 115  25.019 -18.988  -4.537
  960   HG13  VAL 115          HG13      VAL 115  26.772 -18.851  -4.684
  961   HG21  VAL 115          HG21      VAL 115  27.398 -18.189  -1.797
  962   HG22  VAL 115          HG22      VAL 115  28.228 -19.423  -2.742
  963   HG23  VAL 115          HG23      VAL 115  27.500 -19.842  -1.193
  964    H    GLY 116           HN       GLY 116  23.858 -19.297   0.464
  965    HA2  GLY 116           HA2      GLY 116  23.608 -20.750   2.236
  966    HA3  GLY 116           HA1      GLY 116  24.019 -22.063   1.142
  967    H    ALA 117           HN       ALA 117  25.653 -23.193   2.008
  968    HA   ALA 117           HA       ALA 117  28.010 -21.696   2.912
  969    HB1  ALA 117           HB1      ALA 117  26.760 -22.337   4.904
  970    HB2  ALA 117           HB2      ALA 117  28.290 -23.211   4.808
  971    HB3  ALA 117           HB3      ALA 117  26.783 -24.023   4.382
  972    HA   PRO 118           HA       PRO 118  29.282 -25.214   0.183
  973    HB2  PRO 118           HB2      PRO 118  30.226 -23.858  -1.917
  974    HB3  PRO 118           HB1      PRO 118  28.492 -24.158  -1.737
  975    HG2  PRO 118           HG2      PRO 118  30.054 -21.673  -1.177
  976    HG3  PRO 118           HG1      PRO 118  28.450 -21.847  -1.914
  977    HD2  PRO 118           HD2      PRO 118  28.926 -21.202   0.744
  978    HD3  PRO 118           HD1      PRO 118  27.409 -21.869   0.116
  979    H    THR 119           HN       THR 119  30.672 -22.391   1.513
  980    HA   THR 119           HA       THR 119  33.399 -23.326   1.035
  981    HB   THR 119           HB       THR 119  34.008 -21.065   2.054
  982    HG1  THR 119           HG1      THR 119  32.363 -20.016   2.872
  983   HG21  THR 119          HG21      THR 119  34.100 -21.493  -0.355
  984   HG22  THR 119          HG22      THR 119  33.553 -19.851  -0.027
  985   HG23  THR 119          HG23      THR 119  32.390 -21.090  -0.497