*HEADER    TOXIN/DNA                               01-APR-06   2GKD              
*TITLE     STRUCTURAL INSIGHT INTO SELF-SACRIFICE MECHANISM OF                   
*TITLE    2 ENEDIYNE RESISTANCE                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALC;                                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: 5'-D(*GP*CP*AP*TP*AP*TP*GP*AP*TP*AP*G)-3';                 
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MOL_ID: 3;                                                           
*COMPND  10 MOLECULE: 5'-D(*CP*TP*AP*TP*CP*AP*TP*AP*TP*GP*C)-3';                 
*COMPND  11 CHAIN: C;                                                            
*COMPND  12 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MICROMONOSPORA ECHINOSPORA;                     
*SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   4 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   5 MOL_ID: 2;                                                           
*SOURCE   6 SYNTHETIC: YES;                                                      
*SOURCE   7 MOL_ID: 3;                                                           
*SOURCE   8 SYNTHETIC: YES                                                       
*KEYWDS    START DOMAIN PROTEIN                                                  
*EXPDTA    NMR                                                                   
*AUTHOR    S.SINGH, J.S.THORSON                                                  
*REVDAT   2   26-SEP-06 2GKD    1    UPDATED CONSTRAINTS               
*REVDAT   1   22-AUG-06 2GKD    0                                                

!
assign ( resid 3  and segid A)
       (
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 15  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 17  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
     or
        ( resid 11  and segid B)
     or
        ( resid 12  and segid B)
     or
        ( resid 13  and segid B)
     or
        ( resid 14  and segid B)
     or
        ( resid 19  and segid B)
     or
        ( resid 20  and segid B)
     or
        ( resid 21  and segid B)
     or
        ( resid 22  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 124  and segid A)
       (
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 15  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 17  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
     or
        ( resid 11  and segid B)
     or
        ( resid 12  and segid B)
     or
        ( resid 13  and segid B)
     or
        ( resid 14  and segid B)
     or
        ( resid 19  and segid B)
     or
        ( resid 20  and segid B)
     or
        ( resid 21  and segid B)
     or
        ( resid 22  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 127  and segid A)
       (
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 15  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 17  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
     or
        ( resid 11  and segid B)
     or
        ( resid 12  and segid B)
     or
        ( resid 13  and segid B)
     or
        ( resid 14  and segid B)
     or
        ( resid 19  and segid B)
     or
        ( resid 20  and segid B)
     or
        ( resid 21  and segid B)
     or
        ( resid 22  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 128  and segid A)
       (
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 15  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 17  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
     or
        ( resid 11  and segid B)
     or
        ( resid 12  and segid B)
     or
        ( resid 13  and segid B)
     or
        ( resid 14  and segid B)
     or
        ( resid 19  and segid B)
     or
        ( resid 20  and segid B)
     or
        ( resid 21  and segid B)
     or
        ( resid 22  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 83  and segid A)
       (
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 15  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 17  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
     or
        ( resid 11  and segid B)
     or
        ( resid 12  and segid B)
     or
        ( resid 13  and segid B)
     or
        ( resid 14  and segid B)
     or
        ( resid 19  and segid B)
     or
        ( resid 20  and segid B)
     or
        ( resid 21  and segid B)
     or
        ( resid 22  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 130  and segid A)
       (
        ( resid 5  and segid B)
     or
        ( resid 6  and segid B)
     or
        ( resid 7  and segid B)
     or
        ( resid 8  and segid B)
     or
        ( resid 15  and segid B)
     or
        ( resid 16  and segid B)
     or
        ( resid 17  and segid B)
     or
        ( resid 18  and segid B)
     or
        ( resid 1  and segid B)
     or
        ( resid 2  and segid B)
     or
        ( resid 3  and segid B)
     or
        ( resid 4  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
     or
        ( resid 11  and segid B)
     or
        ( resid 12  and segid B)
     or
        ( resid 13  and segid B)
     or
        ( resid 14  and segid B)
     or
        ( resid 19  and segid B)
     or
        ( resid 20  and segid B)
     or
        ( resid 21  and segid B)
     or
        ( resid 22  and segid B)
       )  2.0 2.0 0.0
!
! HADDOCK AIR restraints for 2nd partner
!
assign ( resid 5  and segid B)
       (
        ( resid 3  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 128  and segid A)
     or
        ( resid 83  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 2  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 67  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 87  and segid A)
     or
        ( resid 88  and segid A)
     or
        ( resid 93  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 135  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 6  and segid B)
       (
        ( resid 3  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 128  and segid A)
     or
        ( resid 83  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 2  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 67  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 87  and segid A)
     or
        ( resid 88  and segid A)
     or
        ( resid 93  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 135  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 7  and segid B)
       (
        ( resid 3  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 128  and segid A)
     or
        ( resid 83  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 2  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 67  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 87  and segid A)
     or
        ( resid 88  and segid A)
     or
        ( resid 93  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 135  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 8  and segid B)
       (
        ( resid 3  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 128  and segid A)
     or
        ( resid 83  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 2  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 67  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 87  and segid A)
     or
        ( resid 88  and segid A)
     or
        ( resid 93  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 135  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 15  and segid B)
       (
        ( resid 3  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 128  and segid A)
     or
        ( resid 83  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 2  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 67  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 87  and segid A)
     or
        ( resid 88  and segid A)
     or
        ( resid 93  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 135  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 16  and segid B)
       (
        ( resid 3  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 128  and segid A)
     or
        ( resid 83  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 2  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 67  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 87  and segid A)
     or
        ( resid 88  and segid A)
     or
        ( resid 93  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 135  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 17  and segid B)
       (
        ( resid 3  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 128  and segid A)
     or
        ( resid 83  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 2  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 67  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 87  and segid A)
     or
        ( resid 88  and segid A)
     or
        ( resid 93  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 135  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 18  and segid B)
       (
        ( resid 3  and segid A)
     or
        ( resid 124  and segid A)
     or
        ( resid 127  and segid A)
     or
        ( resid 128  and segid A)
     or
        ( resid 83  and segid A)
     or
        ( resid 130  and segid A)
     or
        ( resid 2  and segid A)
     or
        ( resid 37  and segid A)
     or
        ( resid 67  and segid A)
     or
        ( resid 84  and segid A)
     or
        ( resid 86  and segid A)
     or
        ( resid 87  and segid A)
     or
        ( resid 88  and segid A)
     or
        ( resid 93  and segid A)
     or
        ( resid 126  and segid A)
     or
        ( resid 129  and segid A)
     or
        ( resid 132  and segid A)
     or
        ( resid 133  and segid A)
     or
        ( resid 135  and segid A)
       )  2.0 2.0 0.0


  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          H5'         G   1  38.989  -6.304  10.778
    2   2H5*    G   1          H5''        G   1  38.322  -7.452  11.961
    3    H4*    G   1           H4'        G   1  39.458  -5.748  13.179
    4    H3*    G   1           H3'        G   1  37.015  -6.279  14.018
    5    H1*    G   1           H1'        G   1  37.671  -2.499  12.938
    6    H8     G   1           H8         G   1  35.601  -4.517  10.410
    7    H1     G   1           H1         G   1  37.967   0.948   8.061
    8   1H2     G   1          H22         G   1  39.262   1.942   9.667
    9   2H2     G   1          H21         G   1  39.507   1.189  11.227
   10    H5T    G   1           H5T        G   1  36.339  -6.797  11.520
   11   1H2*    G   1          H2'         G   1  35.749  -4.833  12.565
   12   2H2*    G   1          H2''        G   1  35.933  -3.796  13.950
   13   1H5*    C   2          H5'         C   2  39.182  -2.362  15.610
   14   2H5*    C   2          H5''        C   2  38.730  -2.008  17.299
   15    H4*    C   2           H4'        C   2  38.915   0.068  16.047
   16    H3*    C   2           H3'        C   2  36.285  -0.693  17.170
   17    H1*    C   2           H1'        C   2  37.404   1.316  13.960
   18   1H4     C   2          H42         C   2  33.763  -0.099   8.944
   19   2H4     C   2          H41         C   2  33.203  -1.551   9.722
   20    H5     C   2           H5         C   2  33.761  -2.174  11.955
   21    H6     C   2           H6         C   2  35.083  -1.613  13.876
   22   1H2*    C   2          H2'         C   2  35.006   0.287  15.457
   23   2H2*    C   2          H2''        C   2  35.984   1.751  15.601
   24   1H5*    A   3          H5'         A   3  37.717   3.932  16.422
   25   2H5*    A   3          H5''        A   3  37.194   4.631  17.975
   26    H4*    A   3           H4'        A   3  37.023   6.306  16.239
   27    H3*    A   3           H3'        A   3  34.877   5.819  17.896
   28    H1*    A   3           H1'        A   3  34.534   6.209  14.005
   29    H8     A   3           H8         A   3  34.227   2.538  15.197
   30   1H6     A   3          H62         A   3  31.360   1.555   9.825
   31   2H6     A   3          H61         A   3  31.867   0.846  11.343
   32    H2     A   3           H2         A   3  32.477   5.882  10.007
   33   1H2*    A   3          H2'         A   3  33.528   4.571  16.404
   34   2H2*    A   3          H2''        A   3  33.043   6.174  15.911
   35   1H5*    T   4          H5'         T   4  31.332   9.684  16.436
   36   2H5*    T   4          H5''        T   4  30.844   7.970  16.495
   37    H4*    T   4           H4'        T   4  31.260   9.789  14.139
   38    H3*    T   4           H3'        T   4  29.161   7.671  14.726
   39   1H2*    T   4          H2'         T   4  28.648   7.857  12.340
   40   2H2*    T   4          H2''        T   4  29.747   9.218  12.141
   41    H1*    T   4           H1'        T   4  31.336   7.427  11.772
   42    H3     T   4           H3         T   4  28.942   3.538  11.142
   43   1H5M    T   4          H71         T   4  29.772   2.717  15.739
   44   2H5M    T   4          H72         T   4  31.293   2.087  15.065
   45   3H5M    T   4          H73         T   4  31.294   3.588  16.014
   46    H6     T   4           H6         T   4  31.456   5.521  14.629
   47   1H5*    A   5          H5'         A   5  28.218  10.530  11.630
   48   2H5*    A   5          H5''        A   5  27.070  11.833  11.363
   49    H4*    A   5           H4'        A   5  25.618  10.232  10.982
   50    H3*    A   5           H3'        A   5  25.687   9.946  13.983
   51    H1*    A   5           H1'        A   5  25.011   7.705  10.893
   52    H8     A   5           H8         A   5  26.912   6.685  14.130
   53   1H6     A   5          H62         A   5  26.663   0.952  11.912
   54   2H6     A   5          H61         A   5  27.278   1.992  13.177
   55    H2     A   5           H2         A   5  24.399   3.577   9.088
   56   1H2*    A   5          H2'         A   5  24.376   8.038  13.817
   57   2H2*    A   5          H2''        A   5  23.495   8.624  12.424
   58   1H5*    T   6          H5'         T   6  22.576   9.564   9.550
   59   2H5*    T   6          H5''        T   6  21.197  10.627   9.926
   60    H4*    T   6           H4'        T   6  20.429   8.406   9.425
   61    H3*    T   6           H3'        T   6  19.983   9.391  12.188
   62   1H2*    T   6          H2'         T   6  19.975   7.312  13.165
   63   2H2*    T   6          H2''        T   6  18.770   6.759  12.027
   64    H1*    T   6           H1'        T   6  20.373   5.924  10.476
   65    H3     T   6           H3         T   6  22.468   2.291  11.984
   66   1H5M    T   6          H71         T   6  24.466   4.398  15.518
   67   2H5M    T   6          H72         T   6  24.294   6.134  15.203
   68   3H5M    T   6          H73         T   6  22.972   5.242  15.985
   69    H6     T   6           H6         T   6  22.334   6.806  13.600
   70   1H5*    G   7          H5'         G   7  17.292   5.221   9.193
   71   2H5*    G   7          H5''        G   7  15.698   5.942   9.520
   72    H4*    G   7           H4'        G   7  15.772   3.732  10.434
   73    H3*    G   7           H3'        G   7  15.340   5.939  12.295
   74    H1*    G   7           H1'        G   7  16.889   2.386  12.523
   75    H8     G   7           H8         G   7  19.043   5.182  14.126
   76    H1     G   7           H1         G   7  21.438  -0.724  14.599
   77   1H2     G   7          H22         G   7  20.120  -2.161  13.427
   78   2H2     G   7          H21         G   7  18.682  -1.604  12.601
   79   1H2*    G   7          H2'         G   7  16.772   5.102  13.954
   80   2H2*    G   7          H2''        G   7  15.695   3.734  14.066
   81   1H5*    A   8          H5'         A   8  14.117   1.584  12.018
   82   2H5*    A   8          H5''        A   8  12.437   1.344  12.557
   83    H4*    A   8           H4'        A   8  13.698  -0.708  12.811
   84    H3*    A   8           H3'        A   8  12.357   0.436  15.069
   85    H1*    A   8           H1'        A   8  15.857  -1.444  14.918
   86    H8     A   8           H8         A   8  15.927   2.333  15.689
   87   1H6     A   8          H62         A   8  21.277   1.285  18.483
   88   2H6     A   8          H61         A   8  20.110   2.482  17.966
   89    H2     A   8           H2         A   8  19.674  -2.684  17.076
   90   1H2*    A   8          H2'         A   8  14.147   0.449  16.580
   91   2H2*    A   8          H2''        A   8  14.112  -1.302  16.467
   92   1H5*    T   9          H5'         T   9  13.670  -4.056  15.559
   93   2H5*    T   9          H5''        T   9  12.555  -4.891  16.664
   94    H4*    T   9           H4'        T   9  14.921  -5.205  17.256
   95    H3*    T   9           H3'        T   9  13.153  -3.890  19.306
   96   1H2*    T   9          H2'         T   9  15.031  -3.256  20.584
   97   2H2*    T   9          H2''        T   9  15.886  -4.742  20.193
   98    H1*    T   9           H1'        T   9  17.008  -3.830  18.423
   99    H3     T   9           H3         T   9  19.145  -0.437  20.434
  100   1H5M    T   9          H71         T   9  15.624   2.419  19.987
  101   2H5M    T   9          H72         T   9  15.121   1.964  18.349
  102   3H5M    T   9          H73         T   9  14.247   1.319  19.755
  103    H6     T   9           H6         T   9  14.787  -0.924  18.573
  104   1H5*    A  10          H5'         A  10  14.772  -6.617  23.436
  105   2H5*    A  10          H5''        A  10  14.776  -4.831  23.355
  106    H4*    A  10           H4'        A  10  17.118  -6.691  22.899
  107    H3*    A  10           H3'        A  10  16.308  -5.233  25.338
  108    H1*    A  10           H1'        A  10  19.103  -3.890  22.927
  109    H8     A  10           H8         A  10  15.630  -2.450  22.912
  110   1H6     A  10          H62         A  10  18.913   2.729  23.276
  111   2H6     A  10          H61         A  10  17.473   1.971  22.636
  112    H2     A  10           H2         A  10  21.290  -0.596  25.216
  113   1H2*    A  10          H2'         A  10  18.394  -4.132  25.603
  114   2H2*    A  10          H2''        A  10  19.243  -5.368  24.700
  115   1H5*    G  11          H5'         G  11  16.466  -6.383  29.178
  116   2H5*    G  11          H5''        G  11  16.223  -5.139  27.920
  117    H4*    G  11           H4'        G  11  18.714  -5.592  29.580
  118    H3*    G  11           H3'        G  11  16.677  -3.362  29.804
  119    H1*    G  11           H1'        G  11  20.191  -2.906  28.200
  120    H8     G  11           H8         G  11  16.656  -2.842  26.843
  121    H1     G  11           H1         G  11  19.423   2.946  27.214
  122   1H2     G  11          H22         G  11  21.402   2.752  28.262
  123   2H2     G  11          H21         G  11  21.955   1.210  28.876
  124    H3T    G  11           H3T        G  11  17.739  -3.620  31.991
  125   1H2*    G  11          H2'         G  11  18.529  -1.848  30.216
  126   2H2*    G  11          H2''        G  11  19.645  -3.161  30.551
  127   1H5*    C  12          H5'         C  12  24.673  11.018  27.087
  128   2H5*    C  12          H5''        C  12  23.003  10.614  26.635
  129    H4*    C  12           H4'        C  12  24.741   8.931  28.444
  130    H3*    C  12           H3'        C  12  24.531   8.802  25.462
  131    H1*    C  12           H1'        C  12  23.251   6.437  28.429
  132   1H4     C  12          H42         C  12  18.141   3.795  25.523
  133   2H4     C  12          H41         C  12  18.036   5.127  24.403
  134    H5     C  12           H5         C  12  19.586   6.967  24.398
  135    H6     C  12           H6         C  12  21.500   7.969  25.549
  136    H5T    C  12           H5T        C  12  22.676  10.444  29.015
  137   1H2*    C  12          H2'         C  12  23.754   6.644  25.470
  138   2H2*    C  12          H2''        C  12  24.834   6.145  26.725
  139   1H5*    T  13          H5'         T  13  26.518   6.219  28.092
  140   2H5*    T  13          H5''        T  13  28.226   5.837  27.780
  141    H4*    T  13           H4'        T  13  27.107   3.891  28.688
  142    H3*    T  13           H3'        T  13  28.628   3.798  26.385
  143   1H2*    T  13          H2'         T  13  26.863   3.459  24.805
  144   2H2*    T  13          H2''        T  13  27.083   1.803  25.304
  145    H1*    T  13           H1'        T  13  25.333   1.852  26.922
  146    H3     T  13           H3         T  13  21.196   1.926  25.094
  147   1H5M    T  13          H71         T  13  22.195   6.197  23.279
  148   2H5M    T  13          H72         T  13  23.937   6.053  22.960
  149   3H5M    T  13          H73         T  13  22.779   5.126  21.983
  150    H6     T  13           H6         T  13  25.006   4.779  24.652
  151   1H5*    A  14          H5'         A  14  29.464  -0.941  25.197
  152   2H5*    A  14          H5''        A  14  28.745   0.390  24.244
  153    H4*    A  14           H4'        A  14  27.397  -2.075  25.354
  154    H3*    A  14           H3'        A  14  28.307  -1.286  22.640
  155    H1*    A  14           H1'        A  14  24.768  -2.030  24.233
  156    H8     A  14           H8         A  14  25.495   1.441  23.279
  157   1H6     A  14          H62         A  14  19.844   1.808  20.761
  158   2H6     A  14          H61         A  14  21.229   2.731  21.301
  159    H2     A  14           H2         A  14  20.686  -2.479  21.547
  160   1H2*    A  14          H2'         A  14  26.298  -1.551  21.693
  161   2H2*    A  14          H2''        A  14  25.988  -3.057  22.486
  162   1H5*    T  15          H5'         T  15  24.863  -5.298  23.891
  163   2H5*    T  15          H5''        T  15  25.984  -6.620  23.485
  164    H4*    T  15           H4'        T  15  24.127  -6.712  21.984
  165    H3*    T  15           H3'        T  15  26.733  -6.475  20.902
  166   1H2*    T  15          H2'         T  15  26.356  -4.394  19.823
  167   2H2*    T  15          H2''        T  15  25.621  -5.416  18.625
  168    H1*    T  15           H1'        T  15  23.374  -5.184  19.620
  169    H3     T  15           H3         T  15  21.497  -1.175  18.604
  170   1H5M    T  15          H71         T  15  25.655   0.856  20.275
  171   2H5M    T  15          H72         T  15  25.709   0.721  18.504
  172   3H5M    T  15          H73         T  15  26.732  -0.329  19.506
  173    H6     T  15           H6         T  15  25.837  -2.461  20.093
  174   1H5*    C  16          H5'         C  16  22.795  -7.515  18.846
  175   2H5*    C  16          H5''        C  16  23.055  -9.064  18.013
  176    H4*    C  16           H4'        C  16  21.222  -7.979  16.975
  177    H3*    C  16           H3'        C  16  23.292  -8.770  15.357
  178    H1*    C  16           H1'        C  16  21.344  -5.479  14.985
  179   1H4     C  16          H42         C  16  23.855   0.335  15.745
  180   2H4     C  16          H41         C  16  25.175  -0.305  16.684
  181    H5     C  16           H5         C  16  25.498  -2.646  17.112
  182    H6     C  16           H6         C  16  24.579  -4.883  16.760
  183   1H2*    C  16          H2'         C  16  24.227  -6.567  14.941
  184   2H2*    C  16          H2''        C  16  23.022  -6.670  13.669
  185   1H5*    A  17          H5'         A  17  21.986  -9.018  10.445
  186   2H5*    A  17          H5''        A  17  23.154  -8.100  11.430
  187    H4*    A  17           H4'        A  17  20.875  -7.016   9.761
  188    H3*    A  17           H3'        A  17  23.716  -7.210   9.138
  189    H1*    A  17           H1'        A  17  21.401  -4.134  10.059
  190    H8     A  17           H8         A  17  24.187  -4.999  12.602
  191   1H6     A  17          H62         A  17  24.771   0.976  13.491
  192   2H6     A  17          H61         A  17  25.352  -0.645  13.801
  193    H2     A  17           H2         A  17  21.379   0.365  10.478
  194   1H2*    A  17          H2'         A  17  24.283  -5.014   9.749
  195   2H2*    A  17          H2''        A  17  23.094  -4.451   8.574
  196   1H5*    T  18          H5'         T  18  21.113  -4.571   6.973
  197   2H5*    T  18          H5''        T  18  20.536  -4.417   5.306
  198    H4*    T  18           H4'        T  18  21.422  -2.385   5.429
  199    H3*    T  18           H3'        T  18  23.788  -3.989   4.635
  200   1H2*    T  18          H2'         T  18  25.285  -2.586   5.786
  201   2H2*    T  18          H2''        T  18  24.585  -1.206   4.973
  202    H1*    T  18           H1'        T  18  23.023  -0.730   6.667
  203    H3     T  18           H3         T  18  25.335   0.880  10.174
  204   1H5M    T  18          H71         T  18  27.768  -3.011  10.680
  205   2H5M    T  18          H72         T  18  27.244  -4.043   9.332
  206   3H5M    T  18          H73         T  18  26.334  -4.041  10.859
  207    H6     T  18           H6         T  18  25.115  -3.445   8.131
  208   1H5*    A  19          H5'         A  19  23.017   0.354   3.662
  209   2H5*    A  19          H5''        A  19  23.290   0.658   1.931
  210    H4*    A  19           H4'        A  19  24.068   2.573   3.032
  211    H3*    A  19           H3'        A  19  26.060   1.006   1.702
  212    H1*    A  19           H1'        A  19  26.233   3.228   4.904
  213    H8     A  19           H8         A  19  26.865  -0.522   5.639
  214   1H6     A  19          H62         A  19  29.188   1.399  11.051
  215   2H6     A  19          H61         A  19  28.796  -0.003  10.080
  216    H2     A  19           H2         A  19  28.014   5.001   8.722
  217   1H2*    A  19          H2'         A  19  27.507   0.777   3.539
  218   2H2*    A  19          H2''        A  19  27.853   2.464   3.257
  219   1H5*    T  20          H5'         T  20  26.462   5.435   2.927
  220   2H5*    T  20          H5''        T  20  26.989   6.340   1.487
  221    H4*    T  20           H4'        T  20  27.922   7.464   3.320
  222    H3*    T  20           H3'        T  20  29.794   6.062   1.605
  223   1H2*    T  20          H2'         T  20  31.066   5.053   3.235
  224   2H2*    T  20          H2''        T  20  31.534   6.651   3.762
  225    H1*    T  20           H1'        T  20  29.845   6.747   5.476
  226    H3     T  20           H3         T  20  31.546   3.887   8.527
  227   1H5M    T  20          H71         T  20  29.574   0.701   4.778
  228   2H5M    T  20          H72         T  20  31.304   0.932   4.448
  229   3H5M    T  20          H73         T  20  30.777   0.185   5.973
  230    H6     T  20           H6         T  20  29.558   3.249   4.220
  231   1H5*    G  21          H5'         G  21  31.886   9.776   5.782
  232   2H5*    G  21          H5''        G  21  32.679  10.462   4.339
  233    H4*    G  21           H4'        G  21  34.312   9.604   5.940
  234    H3*    G  21           H3'        G  21  34.130   8.168   3.295
  235    H1*    G  21           H1'        G  21  35.209   7.242   6.933
  236    H8     G  21           H8         G  21  33.304   4.953   4.418
  237    H1     G  21           H1         G  21  35.541   2.077   9.652
  238   1H2     G  21          H22         G  21  36.487   3.607  11.023
  239   2H2     G  21          H21         G  21  36.567   5.299  10.587
  240   1H2*    G  21          H2'         G  21  35.418   6.398   4.046
  241   2H2*    G  21          H2''        G  21  36.457   7.454   4.974
  242   1H5*    C  22          H5'         C  22  37.069   9.225   7.704
  243   2H5*    C  22          H5''        C  22  38.374  10.196   6.983
  244    H4*    C  22           H4'        C  22  39.407   8.519   8.295
  245    H3*    C  22           H3'        C  22  39.625   7.935   5.344
  246    H1*    C  22           H1'        C  22  39.388   5.550   8.501
  247   1H4     C  22          H42         C  22  36.471   0.637   5.745
  248   2H4     C  22          H41         C  22  35.757   1.676   4.543
  249    H5     C  22           H5         C  22  36.409   3.980   4.217
  250    H6     C  22           H6         C  22  37.614   5.845   5.251
  251    H3T    C  22           H3T        C  22  41.664   8.586   5.776
  252   1H2*    C  22          H2'         C  22  40.506   5.785   5.783
  253   2H2*    C  22          H2''        C  22  41.239   6.305   7.290
  254   1H    ASN   1          HT1       ASN   1   6.483 -12.851   8.247
  255   2H    ASN   1          HT2       ASN   1   4.846 -12.990   7.856
  256   3H    ASN   1          HT3       ASN   1   5.571 -11.462   7.917
  257    HA   ASN   1           HA       ASN   1   6.245 -13.626   5.999
  258   1HB   ASN   1          HB2       ASN   1   5.152 -12.278   4.309
  259   2HB   ASN   1          HB1       ASN   1   4.022 -12.570   5.599
  260   1HD2  ASN   1          HD21      ASN   1   4.313 -10.385   3.531
  261   2HD2  ASN   1          HD22      ASN   1   4.221  -8.943   4.431
  262    H    TYR   2           HN       TYR   2   7.201 -12.199   3.975
  263    HA   TYR   2           HA       TYR   2   8.780 -10.968   3.052
  264   1HB   TYR   2          HB2       TYR   2   9.372  -8.769   3.904
  265   2HB   TYR   2          HB1       TYR   2   7.640  -9.017   3.925
  266    HD1  TYR   2           HD1      TYR   2   6.457  -8.392   5.856
  267    HD2  TYR   2           HD2      TYR   2  10.619  -9.221   6.188
  268    HE1  TYR   2           HE1      TYR   2   6.414  -7.688   8.202
  269    HE2  TYR   2           HE2      TYR   2  10.597  -8.458   8.511
  270    HH   TYR   2           HH       TYR   2   8.056  -8.321  10.347
  271    H    ASP   3           HN       ASP   3   9.334 -12.940   5.367
  272    HA   ASP   3           HA       ASP   3  12.218 -12.605   5.151
  273   1HB   ASP   3          HB2       ASP   3  11.512 -12.517   7.481
  274   2HB   ASP   3          HB1       ASP   3  10.659 -14.027   7.321
  275    HA   PRO   4           HA       PRO   4  11.184 -16.796   3.388
  276   1HB   PRO   4          HB2       PRO   4   8.779 -18.006   3.903
  277   2HB   PRO   4          HB1       PRO   4  10.212 -18.166   4.904
  278   1HG   PRO   4          HG2       PRO   4   7.732 -16.820   5.524
  279   2HG   PRO   4          HG1       PRO   4   9.111 -17.149   6.581
  280   1HD   PRO   4          HD2       PRO   4   8.395 -14.685   5.172
  281   2HD   PRO   4          HD1       PRO   4   9.487 -14.942   6.519
  282    H    PHE   5           HN       PHE   5   7.960 -15.245   3.512
  283    HA   PHE   5           HA       PHE   5   8.020 -14.707   0.667
  284   1HB   PHE   5          HB2       PHE   5   5.912 -15.830   0.233
  285   2HB   PHE   5          HB1       PHE   5   7.056 -17.002   0.875
  286    HD1  PHE   5           HD1      PHE   5   3.869 -15.364   1.367
  287    HD2  PHE   5           HD2      PHE   5   6.848 -17.760   3.245
  288    HE1  PHE   5           HE1      PHE   5   2.264 -15.995   3.114
  289    HE2  PHE   5           HE2      PHE   5   5.255 -18.359   5.016
  290    HZ   PHE   5           HZ       PHE   5   2.946 -17.472   4.943
  291    H    VAL   6           HN       VAL   6   6.195 -13.221   0.083
  292    HA   VAL   6           HA       VAL   6   5.413 -11.672   2.453
  293    HB   VAL   6           HB       VAL   6   6.628 -10.393   0.801
  294   1HG1  VAL   6          HG11      VAL   6   4.307 -10.811  -1.066
  295   2HG1  VAL   6          HG12      VAL   6   5.851 -11.639  -1.202
  296   3HG1  VAL   6          HG13      VAL   6   5.783  -9.901  -1.366
  297   1HG2  VAL   6          HG21      VAL   6   4.959  -8.552   0.497
  298   2HG2  VAL   6          HG22      VAL   6   5.180  -9.135   2.130
  299   3HG2  VAL   6          HG23      VAL   6   3.759  -9.623   1.213
  300    H    ARG   7           HN       ARG   7   3.410 -11.928   3.171
  301    HA   ARG   7           HA       ARG   7   1.276 -12.169   1.219
  302   1HB   ARG   7          HB2       ARG   7   1.282 -14.273   2.223
  303   2HB   ARG   7          HB1       ARG   7   1.586 -13.607   3.824
  304   1HG   ARG   7          HG2       ARG   7  -0.607 -12.945   4.126
  305   2HG   ARG   7          HG1       ARG   7  -0.960 -12.915   2.400
  306   1HD   ARG   7          HD2       ARG   7  -0.272 -15.514   3.701
  307   2HD   ARG   7          HD1       ARG   7  -1.857 -14.801   3.943
  308    HE   ARG   7           HE       ARG   7  -0.747 -15.325   1.253
  309   1HH1  ARG   7          HH11      ARG   7  -3.367 -15.625   3.586
  310   2HH1  ARG   7          HH12      ARG   7  -4.460 -16.276   2.432
  311   1HH2  ARG   7          HH21      ARG   7  -2.234 -16.180  -0.256
  312   2HH2  ARG   7          HH22      ARG   7  -3.827 -16.602   0.255
  313    H    HIS   8           HN       HIS   8  -0.471 -10.977   1.485
  314    HA   HIS   8           HA       HIS   8  -0.479  -8.889   3.592
  315   1HB   HIS   8          HB2       HIS   8  -0.345  -8.148   1.244
  316   2HB   HIS   8          HB1       HIS   8  -1.881  -8.909   0.902
  317    HD1  HIS   8           HD1      HIS   8  -2.196  -6.388   0.027
  318    HD2  HIS   8           HD2      HIS   8  -2.154  -6.965   4.136
  319    HE1  HIS   8           HE1      HIS   8  -3.268  -4.340   0.994
  320    HE2  HIS   8           HE2      HIS   8  -3.265  -4.735   3.474
  321    H    SER   9           HN       SER   9  -2.260  -8.828   4.920
  322    HA   SER   9           HA       SER   9  -4.632 -10.341   4.063
  323   1HB   SER   9          HB2       SER   9  -4.817 -11.232   6.385
  324   2HB   SER   9          HB1       SER   9  -3.435 -11.844   5.478
  325    HG   SER   9           HG       SER   9  -3.024 -11.133   7.702
  326    H    VAL  10           HN       VAL  10  -6.145  -8.894   3.875
  327    HA   VAL  10           HA       VAL  10  -6.733  -7.119   6.133
  328    HB   VAL  10           HB       VAL  10  -5.966  -6.190   3.400
  329   1HG1  VAL  10          HG11      VAL  10  -7.151  -3.988   4.008
  330   2HG1  VAL  10          HG12      VAL  10  -8.145  -5.006   5.029
  331   3HG1  VAL  10          HG13      VAL  10  -8.095  -5.290   3.304
  332   1HG2  VAL  10          HG21      VAL  10  -5.000  -4.325   4.678
  333   2HG2  VAL  10          HG22      VAL  10  -4.361  -5.911   5.111
  334   3HG2  VAL  10          HG23      VAL  10  -5.544  -5.129   6.143
  335    H    THR  11           HN       THR  11  -8.869  -6.924   6.494
  336    HA   THR  11           HA       THR  11 -10.672  -8.128   4.483
  337    HB   THR  11           HB       THR  11 -11.179  -7.862   7.456
  338    HG1  THR  11           HG1      THR  11 -10.394  -9.906   7.662
  339   1HG2  THR  11          HG21      THR  11 -13.199  -8.076   6.112
  340   2HG2  THR  11          HG22      THR  11 -12.895  -9.575   6.985
  341   3HG2  THR  11          HG23      THR  11 -12.518  -9.467   5.266
  342    H    VAL  12           HN       VAL  12 -11.861  -6.694   3.438
  343    HA   VAL  12           HA       VAL  12 -12.332  -4.048   4.640
  344    HB   VAL  12           HB       VAL  12 -12.100  -5.048   1.823
  345   1HG1  VAL  12          HG11      VAL  12 -14.047  -3.926   1.452
  346   2HG1  VAL  12          HG12      VAL  12 -12.880  -2.635   1.216
  347   3HG1  VAL  12          HG13      VAL  12 -13.771  -2.757   2.717
  348   1HG2  VAL  12          HG21      VAL  12 -10.999  -2.690   3.342
  349   2HG2  VAL  12          HG22      VAL  12 -10.642  -3.068   1.655
  350   3HG2  VAL  12          HG23      VAL  12 -10.137  -4.172   2.934
  351    H    LYS  13           HN       LYS  13 -14.357  -3.200   4.865
  352    HA   LYS  13           HA       LYS  13 -16.424  -5.274   5.154
  353   1HB   LYS  13          HB2       LYS  13 -16.669  -2.492   6.259
  354   2HB   LYS  13          HB1       LYS  13 -17.330  -4.003   6.865
  355   1HG   LYS  13          HG2       LYS  13 -14.428  -3.189   6.965
  356   2HG   LYS  13          HG1       LYS  13 -15.586  -3.086   8.267
  357   1HD   LYS  13          HD2       LYS  13 -15.893  -5.533   8.182
  358   2HD   LYS  13          HD1       LYS  13 -14.652  -5.609   6.926
  359   1HE   LYS  13          HE2       LYS  13 -13.602  -6.126   8.991
  360   2HE   LYS  13          HE1       LYS  13 -13.080  -4.503   8.545
  361   1HZ   LYS  13          HZ1       LYS  13 -13.757  -4.844  10.925
  362   2HZ   LYS  13          HZ2       LYS  13 -15.357  -4.994  10.395
  363   3HZ   LYS  13          HZ3       LYS  13 -14.501  -3.564  10.130
  364    H    ALA  14           HN       ALA  14 -15.771  -3.310   2.665
  365    HA   ALA  14           HA       ALA  14 -18.486  -2.186   2.489
  366   1HB   ALA  14          HB1       ALA  14 -15.969  -1.048   1.311
  367   2HB   ALA  14          HB2       ALA  14 -16.769  -0.489   2.779
  368   3HB   ALA  14          HB3       ALA  14 -17.589  -0.353   1.224
  369    H    ASP  15           HN       ASP  15 -15.937  -3.823   0.651
  370    HA   ASP  15           HA       ASP  15 -16.880  -5.114  -1.341
  371   1HB   ASP  15          HB2       ASP  15 -17.721  -3.819  -3.165
  372   2HB   ASP  15          HB1       ASP  15 -18.686  -3.384  -1.784
  373    H    ARG  16           HN       ARG  16 -15.728  -4.904  -3.508
  374    HA   ARG  16           HA       ARG  16 -12.952  -4.533  -2.904
  375   1HB   ARG  16          HB2       ARG  16 -14.134  -6.279  -4.450
  376   2HB   ARG  16          HB1       ARG  16 -13.958  -5.048  -5.690
  377   1HG   ARG  16          HG2       ARG  16 -11.659  -5.167  -5.684
  378   2HG   ARG  16          HG1       ARG  16 -11.592  -5.851  -4.070
  379   1HD   ARG  16          HD2       ARG  16 -11.027  -7.471  -5.769
  380   2HD   ARG  16          HD1       ARG  16 -12.473  -7.961  -4.892
  381    HE   ARG  16           HE       ARG  16 -13.488  -6.695  -7.057
  382   1HH1  ARG  16          HH11      ARG  16 -11.080  -9.232  -6.707
  383   2HH1  ARG  16          HH12      ARG  16 -11.424  -9.915  -8.247
  384   1HH2  ARG  16          HH21      ARG  16 -13.921  -7.615  -9.093
  385   2HH2  ARG  16          HH22      ARG  16 -13.034  -9.012  -9.607
  386    H    LYS  17           HN       LYS  17 -15.338  -2.609  -4.620
  387    HA   LYS  17           HA       LYS  17 -13.424  -1.049  -6.060
  388   1HB   LYS  17          HB2       LYS  17 -15.585  -1.162  -6.989
  389   2HB   LYS  17          HB1       LYS  17 -16.353  -0.708  -5.491
  390   1HG   LYS  17          HG2       LYS  17 -14.475   1.232  -6.748
  391   2HG   LYS  17          HG1       LYS  17 -16.042   0.986  -7.507
  392   1HD   LYS  17          HD2       LYS  17 -16.069   1.383  -4.555
  393   2HD   LYS  17          HD1       LYS  17 -15.571   2.760  -5.525
  394   1HE   LYS  17          HE2       LYS  17 -18.045   2.502  -4.926
  395   2HE   LYS  17          HE1       LYS  17 -17.623   2.912  -6.583
  396   1HZ   LYS  17          HZ1       LYS  17 -18.066   0.700  -7.280
  397   2HZ   LYS  17          HZ2       LYS  17 -19.363   1.178  -6.320
  398   3HZ   LYS  17          HZ3       LYS  17 -18.200   0.139  -5.689
  399    H    THR  18           HN       THR  18 -15.225  -0.576  -3.050
  400    HA   THR  18           HA       THR  18 -14.110   1.921  -2.395
  401    HB   THR  18           HB       THR  18 -15.140  -0.261  -0.570
  402    HG1  THR  18           HG1      THR  18 -16.713   0.593  -2.047
  403   1HG2  THR  18          HG21      THR  18 -14.451   2.633  -0.053
  404   2HG2  THR  18          HG22      THR  18 -13.848   1.201   0.786
  405   3HG2  THR  18          HG23      THR  18 -15.524   1.696   0.983
  406    H    ALA  19           HN       ALA  19 -13.066  -1.417  -1.762
  407    HA   ALA  19           HA       ALA  19 -10.836  -0.836  -0.165
  408   1HB   ALA  19          HB1       ALA  19 -10.053  -3.025  -0.695
  409   2HB   ALA  19          HB2       ALA  19 -11.042  -3.098  -2.154
  410   3HB   ALA  19          HB3       ALA  19 -11.805  -3.101  -0.568
  411    H    PHE  20           HN       PHE  20 -11.018  -1.330  -3.694
  412    HA   PHE  20           HA       PHE  20  -8.338  -0.694  -4.267
  413   1HB   PHE  20          HB2       PHE  20  -9.688  -1.808  -5.889
  414   2HB   PHE  20          HB1       PHE  20 -10.848  -0.490  -5.936
  415    HD1  PHE  20           HD1      PHE  20  -7.394  -1.472  -6.829
  416    HD2  PHE  20           HD2      PHE  20 -10.513   1.380  -7.365
  417    HE1  PHE  20           HE1      PHE  20  -6.147  -0.461  -8.689
  418    HE2  PHE  20           HE2      PHE  20  -9.280   2.376  -9.241
  419    HZ   PHE  20           HZ       PHE  20  -7.102   1.467  -9.909
  420    H    LYS  21           HN       LYS  21 -11.244   1.357  -4.237
  421    HA   LYS  21           HA       LYS  21 -10.120   3.753  -5.086
  422   1HB   LYS  21          HB2       LYS  21 -12.518   3.503  -4.816
  423   2HB   LYS  21          HB1       LYS  21 -12.332   3.230  -3.102
  424   1HG   LYS  21          HG2       LYS  21 -13.127   5.435  -3.360
  425   2HG   LYS  21          HG1       LYS  21 -11.451   5.558  -2.858
  426   1HD   LYS  21          HD2       LYS  21 -11.863   7.156  -4.605
  427   2HD   LYS  21          HD1       LYS  21 -10.818   5.889  -5.243
  428   1HE   LYS  21          HE2       LYS  21 -12.701   4.837  -6.344
  429   2HE   LYS  21          HE1       LYS  21 -13.809   6.009  -5.630
  430   1HZ   LYS  21          HZ1       LYS  21 -11.657   6.574  -7.589
  431   2HZ   LYS  21          HZ2       LYS  21 -12.637   7.751  -6.869
  432   3HZ   LYS  21          HZ3       LYS  21 -13.319   6.585  -7.886
  433    H    THR  22           HN       THR  22 -10.532   2.558  -1.767
  434    HA   THR  22           HA       THR  22  -9.267   4.719  -0.490
  435    HB   THR  22           HB       THR  22  -9.467   1.843   0.439
  436    HG1  THR  22           HG1      THR  22 -11.523   2.271   0.748
  437   1HG2  THR  22          HG21      THR  22  -9.073   4.417   1.980
  438   2HG2  THR  22          HG22      THR  22  -7.929   3.087   1.833
  439   3HG2  THR  22          HG23      THR  22  -9.434   2.854   2.707
  440    H    PHE  23           HN       PHE  23  -8.012   1.597  -1.624
  441    HA   PHE  23           HA       PHE  23  -5.481   1.815  -0.392
  442   1HB   PHE  23          HB2       PHE  23  -6.508  -0.302  -1.092
  443   2HB   PHE  23          HB1       PHE  23  -6.339   0.165  -2.779
  444    HD1  PHE  23           HD1      PHE  23  -4.405  -0.412  -3.939
  445    HD2  PHE  23           HD2      PHE  23  -4.339  -0.423   0.315
  446    HE1  PHE  23           HE1      PHE  23  -2.159  -1.423  -3.982
  447    HE2  PHE  23           HE2      PHE  23  -2.131  -1.500   0.281
  448    HZ   PHE  23           HZ       PHE  23  -1.032  -1.993  -1.875
  449    H    LEU  24           HN       LEU  24  -6.592   2.776  -3.650
  450    HA   LEU  24           HA       LEU  24  -3.783   3.481  -4.252
  451   1HB   LEU  24          HB2       LEU  24  -5.201   1.622  -5.530
  452   2HB   LEU  24          HB1       LEU  24  -5.776   3.021  -6.416
  453    HG   LEU  24           HG       LEU  24  -3.368   3.594  -6.888
  454   1HD1  LEU  24          HD11      LEU  24  -2.272   2.396  -5.126
  455   2HD1  LEU  24          HD12      LEU  24  -1.751   1.705  -6.652
  456   3HD1  LEU  24          HD13      LEU  24  -2.942   0.878  -5.666
  457   1HD2  LEU  24          HD21      LEU  24  -3.105   1.715  -8.566
  458   2HD2  LEU  24          HD22      LEU  24  -4.613   2.617  -8.630
  459   3HD2  LEU  24          HD23      LEU  24  -4.580   1.032  -7.890
  460    H    GLU  25           HN       GLU  25  -6.939   4.810  -3.943
  461    HA   GLU  25           HA       GLU  25  -5.966   7.261  -5.284
  462   1HB   GLU  25          HB2       GLU  25  -8.832   6.399  -4.961
  463   2HB   GLU  25          HB1       GLU  25  -8.233   7.806  -5.830
  464   1HG   GLU  25          HG2       GLU  25  -6.932   5.824  -7.130
  465   2HG   GLU  25          HG1       GLU  25  -8.349   4.968  -6.601
  466    H    GLY  26           HN       GLY  26  -7.492   5.893  -2.462
  467   1HA   GLY  26          HA2       GLY  26  -8.174   8.499  -1.393
  468   2HA   GLY  26          HA1       GLY  26  -8.530   6.925  -0.700
  469    H    PHE  27           HN       PHE  27  -5.273   7.487  -1.713
  470    HA   PHE  27           HA       PHE  27  -4.051   6.956   0.621
  471   1HB   PHE  27          HB2       PHE  27  -3.154   7.490  -1.809
  472   2HB   PHE  27          HB1       PHE  27  -2.857   9.064  -1.119
  473    HD1  PHE  27           HD1      PHE  27  -1.504   5.880  -1.647
  474    HD2  PHE  27           HD2      PHE  27  -1.580   9.090   1.143
  475    HE1  PHE  27           HE1      PHE  27   0.615   5.116  -0.671
  476    HE2  PHE  27           HE2      PHE  27   0.560   8.310   2.096
  477    HZ   PHE  27           HZ       PHE  27   1.660   6.270   1.129
  478    HA   PRO  28           HA       PRO  28  -3.941  11.656   1.835
  479   1HB   PRO  28          HB2       PRO  28  -5.911  13.215   0.695
  480   2HB   PRO  28          HB1       PRO  28  -4.257  13.086   0.106
  481   1HG   PRO  28          HG2       PRO  28  -6.708  11.657  -0.841
  482   2HG   PRO  28          HG1       PRO  28  -5.424  12.431  -1.791
  483   1HD   PRO  28          HD2       PRO  28  -5.491   9.804  -1.463
  484   2HD   PRO  28          HD1       PRO  28  -3.959  10.682  -1.471
  485    H    GLU  29           HN       GLU  29  -6.823   9.700   1.479
  486    HA   GLU  29           HA       GLU  29  -8.248  11.327   3.460
  487   1HB   GLU  29          HB2       GLU  29 -10.247  10.263   2.796
  488   2HB   GLU  29          HB1       GLU  29  -9.396  10.753   1.340
  489   1HG   GLU  29          HG2       GLU  29  -8.759   8.558   0.882
  490   2HG   GLU  29          HG1       GLU  29  -9.294   7.937   2.421
  491    H    TRP  30           HN       TRP  30  -6.125   8.833   3.685
  492    HA   TRP  30           HA       TRP  30  -7.571   7.511   5.872
  493   1HB   TRP  30          HB2       TRP  30  -4.658   7.107   5.395
  494   2HB   TRP  30          HB1       TRP  30  -5.845   5.987   6.014
  495    HD1  TRP  30           HD1      TRP  30  -7.833   6.041   3.491
  496    HE1  TRP  30           HE1      TRP  30  -7.042   4.931   1.309
  497    HE3  TRP  30           HE3      TRP  30  -2.784   6.029   4.299
  498    HZ2  TRP  30           HZ2      TRP  30  -4.632   4.110   0.108
  499    HZ3  TRP  30           HZ3      TRP  30  -1.324   5.076   2.574
  500    HH2  TRP  30           HH2      TRP  30  -2.228   4.122   0.530
  501    H    TRP  31           HN       TRP  31  -5.872   7.298   7.923
  502    HA   TRP  31           HA       TRP  31  -4.501   9.886   8.289
  503   1HB   TRP  31          HB2       TRP  31  -5.455   9.562  10.781
  504   2HB   TRP  31          HB1       TRP  31  -6.294  10.442   9.518
  505    HD1  TRP  31           HD1      TRP  31  -6.289   6.886  11.065
  506    HE1  TRP  31           HE1      TRP  31  -8.675   5.946  10.879
  507    HE3  TRP  31           HE3      TRP  31  -8.476  10.704   8.458
  508    HZ2  TRP  31           HZ2      TRP  31 -11.152   6.715   9.788
  509    HZ3  TRP  31           HZ3      TRP  31 -10.862  10.521   7.887
  510    HH2  TRP  31           HH2      TRP  31 -12.172   8.565   8.539
  511    HA   PRO  32           HA       PRO  32  -2.038   6.552  10.555
  512   1HB   PRO  32          HB2       PRO  32  -1.297   4.615   8.666
  513   2HB   PRO  32          HB1       PRO  32  -2.582   4.484   9.862
  514   1HG   PRO  32          HG2       PRO  32  -2.904   4.606   7.056
  515   2HG   PRO  32          HG1       PRO  32  -4.158   4.699   8.254
  516   1HD   PRO  32          HD2       PRO  32  -2.795   6.850   6.793
  517   2HD   PRO  32          HD1       PRO  32  -4.428   6.706   7.337
  518    H    ASN  33           HN       ASN  33  -1.203   7.183   7.122
  519    HA   ASN  33           HA       ASN  33   1.571   7.775   7.928
  520   1HB   ASN  33          HB2       ASN  33   1.081   5.638   6.567
  521   2HB   ASN  33          HB1       ASN  33   0.789   6.706   5.205
  522   1HD2  ASN  33          HD21      ASN  33   2.967   8.555   6.427
  523   2HD2  ASN  33          HD22      ASN  33   4.401   7.782   6.011
  524    H    ASN  34           HN       ASN  34  -0.925   8.246   5.516
  525    HA   ASN  34           HA       ASN  34   0.244  10.395   4.125
  526   1HB   ASN  34          HB2       ASN  34  -2.022  10.584   3.101
  527   2HB   ASN  34          HB1       ASN  34  -1.432   8.927   3.186
  528   1HD2  ASN  34          HD21      ASN  34  -3.670  11.185   4.484
  529   2HD2  ASN  34          HD22      ASN  34  -4.611  10.038   5.325
  530    H    PHE  35           HN       PHE  35  -0.376  10.652   7.201
  531    HA   PHE  35           HA       PHE  35  -2.366  12.684   7.406
  532   1HB   PHE  35          HB2       PHE  35  -1.672  10.906   9.140
  533   2HB   PHE  35          HB1       PHE  35  -0.310  11.954   9.506
  534    HD1  PHE  35           HD1      PHE  35  -4.033  12.082   9.155
  535    HD2  PHE  35           HD2      PHE  35  -0.577  13.531  11.188
  536    HE1  PHE  35           HE1      PHE  35  -5.469  13.361  10.683
  537    HE2  PHE  35           HE2      PHE  35  -2.017  14.773  12.747
  538    HZ   PHE  35           HZ       PHE  35  -4.469  14.692  12.491
  539    H    ARG  36           HN       ARG  36  -0.642  13.648   5.549
  540    HA   ARG  36           HA       ARG  36   0.566  15.945   6.789
  541   1HB   ARG  36          HB2       ARG  36   2.089  13.958   5.126
  542   2HB   ARG  36          HB1       ARG  36   2.645  15.594   5.355
  543   1HG   ARG  36          HG2       ARG  36   2.155  13.745   7.665
  544   2HG   ARG  36          HG1       ARG  36   3.683  13.827   6.807
  545   1HD   ARG  36          HD2       ARG  36   3.673  15.231   8.819
  546   2HD   ARG  36          HD1       ARG  36   3.924  16.160   7.341
  547    HE   ARG  36           HE       ARG  36   1.179  16.084   8.153
  548   1HH1  ARG  36          HH11      ARG  36   4.224  17.604   8.922
  549   2HH1  ARG  36          HH12      ARG  36   3.476  19.055   9.477
  550   1HH2  ARG  36          HH21      ARG  36   0.203  18.022   8.808
  551   2HH2  ARG  36          HH22      ARG  36   1.201  19.302   9.419
  552    H    THR  37           HN       THR  37   1.601  17.339   4.910
  553    HA   THR  37           HA       THR  37  -0.076  17.155   2.481
  554    HB   THR  37           HB       THR  37  -0.066  19.712   2.514
  555    HG1  THR  37           HG1      THR  37   0.432  19.307   5.313
  556   1HG2  THR  37          HG21      THR  37  -1.639  18.265   4.650
  557   2HG2  THR  37          HG22      THR  37  -2.086  18.407   2.948
  558   3HG2  THR  37          HG23      THR  37  -2.025  19.845   3.968
  559    H    THR  38           HN       THR  38   1.036  17.515   0.573
  560    HA   THR  38           HA       THR  38   2.850  17.537  -0.789
  561    HB   THR  38           HB       THR  38   4.353  19.471  -0.596
  562    HG1  THR  38           HG1      THR  38   4.384  20.770   1.147
  563   1HG2  THR  38          HG21      THR  38   2.210  19.823  -1.658
  564   2HG2  THR  38          HG22      THR  38   2.651  21.247  -0.723
  565   3HG2  THR  38          HG23      THR  38   1.460  20.114  -0.088
  566    H    LYS  39           HN       LYS  39   2.864  15.694   1.062
  567    HA   LYS  39           HA       LYS  39   5.656  15.221   1.727
  568   1HB   LYS  39          HB2       LYS  39   3.933  16.277   3.586
  569   2HB   LYS  39          HB1       LYS  39   3.724  14.580   3.854
  570   1HG   LYS  39          HG2       LYS  39   6.241  16.185   4.110
  571   2HG   LYS  39          HG1       LYS  39   5.314  15.415   5.387
  572   1HD   LYS  39          HD2       LYS  39   6.860  13.811   5.214
  573   2HD   LYS  39          HD1       LYS  39   5.912  13.250   3.881
  574   1HE   LYS  39          HE2       LYS  39   7.336  14.700   2.389
  575   2HE   LYS  39          HE1       LYS  39   8.344  14.970   3.797
  576   1HZ   LYS  39          HZ1       LYS  39   7.766  12.325   2.587
  577   2HZ   LYS  39          HZ2       LYS  39   8.775  12.614   3.916
  578   3HZ   LYS  39          HZ3       LYS  39   9.188  13.217   2.393
  579    H    VAL  40           HN       VAL  40   4.848  12.889   3.301
  580    HA   VAL  40           HA       VAL  40   3.496  11.232   1.450
  581    HB   VAL  40           HB       VAL  40   5.068  10.078   2.823
  582   1HG1  VAL  40          HG11      VAL  40   4.682   9.971   5.342
  583   2HG1  VAL  40          HG12      VAL  40   3.693  11.407   5.154
  584   3HG1  VAL  40          HG13      VAL  40   5.385  11.438   4.704
  585   1HG2  VAL  40          HG21      VAL  40   2.378   9.405   3.995
  586   2HG2  VAL  40          HG22      VAL  40   3.730   8.335   3.670
  587   3HG2  VAL  40          HG23      VAL  40   2.819   9.017   2.340
  588    H    GLY  41           HN       GLY  41   1.433  11.854   1.098
  589   1HA   GLY  41          HA2       GLY  41  -0.804  12.162   2.138
  590   2HA   GLY  41          HA1       GLY  41   0.018  13.138   3.347
  591    H    ALA  42           HN       ALA  42  -1.010  12.966   0.048
  592    HA   ALA  42           HA       ALA  42  -1.298  15.823  -0.048
  593   1HB   ALA  42          HB1       ALA  42   0.406  16.391  -1.357
  594   2HB   ALA  42          HB2       ALA  42   0.171  15.015  -2.396
  595   3HB   ALA  42          HB3       ALA  42   1.137  14.843  -0.945
  596    HA   PRO  43           HA       PRO  43  -4.617  14.828  -2.754
  597   1HB   PRO  43          HB2       PRO  43  -3.886  16.864  -4.774
  598   2HB   PRO  43          HB1       PRO  43  -5.269  16.780  -3.688
  599   1HG   PRO  43          HG2       PRO  43  -3.283  18.553  -3.355
  600   2HG   PRO  43          HG1       PRO  43  -4.160  17.848  -1.984
  601   1HD   PRO  43          HD2       PRO  43  -1.478  17.122  -3.087
  602   2HD   PRO  43          HD1       PRO  43  -1.986  17.308  -1.401
  603    H    LEU  44           HN       LEU  44  -3.018  12.847  -3.274
  604    HA   LEU  44           HA       LEU  44  -3.744  12.128  -5.874
  605   1HB   LEU  44          HB2       LEU  44  -1.830  13.546  -6.527
  606   2HB   LEU  44          HB1       LEU  44  -0.773  12.586  -5.547
  607    HG   LEU  44           HG       LEU  44  -1.300  10.615  -6.990
  608   1HD1  LEU  44          HD11      LEU  44  -2.402  11.046  -9.150
  609   2HD1  LEU  44          HD12      LEU  44  -2.802  12.675  -8.602
  610   3HD1  LEU  44          HD13      LEU  44  -3.485  11.271  -7.783
  611   1HD2  LEU  44          HD21      LEU  44   0.019  11.335  -8.890
  612   2HD2  LEU  44          HD22      LEU  44   0.686  11.983  -7.394
  613   3HD2  LEU  44          HD23      LEU  44  -0.252  13.025  -8.464
  614    H    GLY  45           HN       GLY  45  -0.671  11.129  -4.456
  615   1HA   GLY  45          HA2       GLY  45  -0.332   9.355  -2.920
  616   2HA   GLY  45          HA1       GLY  45  -1.930   8.792  -3.253
  617    H    VAL  46           HN       VAL  46  -2.093   8.442  -5.869
  618    HA   VAL  46           HA       VAL  46   0.238   6.919  -6.759
  619    HB   VAL  46           HB       VAL  46  -2.517   5.697  -6.756
  620   1HG1  VAL  46          HG11      VAL  46  -1.201   3.617  -7.211
  621   2HG1  VAL  46          HG12      VAL  46   0.204   4.628  -7.446
  622   3HG1  VAL  46          HG13      VAL  46  -1.202   4.796  -8.495
  623   1HG2  VAL  46          HG21      VAL  46  -1.868   5.843  -4.455
  624   2HG2  VAL  46          HG22      VAL  46  -0.267   5.214  -4.820
  625   3HG2  VAL  46          HG23      VAL  46  -1.674   4.183  -4.975
  626    H    ASP  47           HN       ASP  47   0.303   6.569  -8.985
  627    HA   ASP  47           HA       ASP  47  -1.439   8.322 -10.565
  628   1HB   ASP  47          HB2       ASP  47   0.904   8.717 -10.926
  629   2HB   ASP  47          HB1       ASP  47   1.170   7.003 -11.134
  630    H    LYS  48           HN       LYS  48  -2.984   7.456 -11.808
  631    HA   LYS  48           HA       LYS  48  -3.440   4.604 -11.654
  632   1HB   LYS  48          HB2       LYS  48  -5.018   6.766 -13.063
  633   2HB   LYS  48          HB1       LYS  48  -5.556   5.111 -12.801
  634   1HG   LYS  48          HG2       LYS  48  -5.011   7.179 -10.684
  635   2HG   LYS  48          HG1       LYS  48  -6.588   6.622 -11.233
  636   1HD   LYS  48          HD2       LYS  48  -6.539   5.052  -9.681
  637   2HD   LYS  48          HD1       LYS  48  -5.207   4.273 -10.524
  638   1HE   LYS  48          HE2       LYS  48  -4.637   4.671  -8.212
  639   2HE   LYS  48          HE1       LYS  48  -3.620   5.665  -9.247
  640   1HZ   LYS  48          HZ1       LYS  48  -4.420   7.502  -8.335
  641   2HZ   LYS  48          HZ2       LYS  48  -5.063   6.533  -7.122
  642   3HZ   LYS  48          HZ3       LYS  48  -6.031   7.011  -8.428
  643    H    LYS  49           HN       LYS  49  -2.690   6.927 -14.214
  644    HA   LYS  49           HA       LYS  49  -3.222   5.041 -16.303
  645   1HB   LYS  49          HB2       LYS  49  -2.335   6.762 -17.803
  646   2HB   LYS  49          HB1       LYS  49  -3.585   7.361 -16.732
  647   1HG   LYS  49          HG2       LYS  49  -1.967   8.455 -15.330
  648   2HG   LYS  49          HG1       LYS  49  -0.634   7.775 -16.263
  649   1HD   LYS  49          HD2       LYS  49  -2.753   9.633 -17.364
  650   2HD   LYS  49          HD1       LYS  49  -1.150  10.134 -16.826
  651   1HE   LYS  49          HE2       LYS  49  -0.093   8.819 -18.518
  652   2HE   LYS  49          HE1       LYS  49  -1.615   8.086 -18.999
  653   1HZ   LYS  49          HZ1       LYS  49  -0.921  10.948 -19.286
  654   2HZ   LYS  49          HZ2       LYS  49  -2.396  10.244 -19.726
  655   3HZ   LYS  49          HZ3       LYS  49  -0.976   9.799 -20.525
  656    H    GLY  50           HN       GLY  50  -0.426   5.674 -14.375
  657   1HA   GLY  50          HA2       GLY  50   1.173   4.052 -16.276
  658   2HA   GLY  50          HA1       GLY  50   1.819   5.282 -15.211
  659    H    GLY  51           HN       GLY  51  -0.009   4.306 -12.997
  660   1HA   GLY  51          HA2       GLY  51  -0.036   2.672 -11.420
  661   2HA   GLY  51          HA1       GLY  51   0.911   1.632 -12.469
  662    H    ARG  52           HN       ARG  52   1.154   4.534 -10.442
  663    HA   ARG  52           HA       ARG  52   3.671   3.628  -9.329
  664   1HB   ARG  52          HB2       ARG  52   4.875   5.679 -10.117
  665   2HB   ARG  52          HB1       ARG  52   4.538   4.518 -11.355
  666   1HG   ARG  52          HG2       ARG  52   2.613   5.799 -12.118
  667   2HG   ARG  52          HG1       ARG  52   2.932   6.985 -10.852
  668   1HD   ARG  52          HD2       ARG  52   5.144   7.394 -11.904
  669   2HD   ARG  52          HD1       ARG  52   4.650   6.353 -13.206
  670    HE   ARG  52           HE       ARG  52   2.769   7.912 -13.581
  671   1HH1  ARG  52          HH11      ARG  52   5.768   9.038 -12.137
  672   2HH1  ARG  52          HH12      ARG  52   5.473  10.677 -12.554
  673   1HH2  ARG  52          HH21      ARG  52   2.398  10.106 -14.111
  674   2HH2  ARG  52          HH22      ARG  52   3.578  11.298 -13.675
  675    H    TRP  53           HN       TRP  53   3.920   4.489  -7.283
  676    HA   TRP  53           HA       TRP  53   1.661   6.075  -6.344
  677   1HB   TRP  53          HB2       TRP  53   3.871   4.800  -4.816
  678   2HB   TRP  53          HB1       TRP  53   2.487   5.574  -4.101
  679    HD1  TRP  53           HD1      TRP  53   2.744   2.799  -6.842
  680    HE1  TRP  53           HE1      TRP  53   1.258   0.852  -6.095
  681    HE3  TRP  53           HE3      TRP  53   1.144   4.638  -2.373
  682    HZ2  TRP  53           HZ2      TRP  53  -0.380   0.161  -3.918
  683    HZ3  TRP  53           HZ3      TRP  53  -0.385   3.267  -0.998
  684    HH2  TRP  53           HH2      TRP  53  -1.126   1.075  -1.762
  685    H    TYR  54           HN       TYR  54   1.809   8.258  -6.311
  686    HA   TYR  54           HA       TYR  54   4.187   9.523  -5.159
  687   1HB   TYR  54          HB2       TYR  54   3.036  10.368  -7.825
  688   2HB   TYR  54          HB1       TYR  54   4.270  11.241  -6.919
  689    HD1  TYR  54           HD1      TYR  54   3.547   8.319  -8.979
  690    HD2  TYR  54           HD2      TYR  54   6.542  10.456  -6.826
  691    HE1  TYR  54           HE1      TYR  54   5.337   7.078 -10.104
  692    HE2  TYR  54           HE2      TYR  54   8.296   9.189  -7.988
  693    HH   TYR  54           HH       TYR  54   7.953   7.614 -10.696
  694    H    GLU  55           HN       GLU  55   3.764  11.636  -4.321
  695    HA   GLU  55           HA       GLU  55   0.946  12.478  -4.556
  696   1HB   GLU  55          HB2       GLU  55   2.601  12.487  -2.039
  697   2HB   GLU  55          HB1       GLU  55   1.012  13.192  -2.226
  698   1HG   GLU  55          HG2       GLU  55   0.204  11.004  -2.893
  699   2HG   GLU  55          HG1       GLU  55   1.716  10.297  -2.409
  700    H    ILE  56           HN       ILE  56   0.694  14.817  -3.831
  701    HA   ILE  56           HA       ILE  56   2.539  16.241  -5.538
  702    HB   ILE  56           HB       ILE  56   0.118  17.354  -4.124
  703   1HG1  ILE  56          HG12      ILE  56  -0.562  15.420  -5.468
  704   2HG1  ILE  56          HG11      ILE  56  -1.109  16.912  -6.213
  705   1HG2  ILE  56          HG21      ILE  56   1.558  19.076  -4.951
  706   2HG2  ILE  56          HG22      ILE  56   0.161  18.967  -6.013
  707   3HG2  ILE  56          HG23      ILE  56   1.702  18.273  -6.513
  708   1HD1  ILE  56          HD11      ILE  56  -0.274  15.376  -7.872
  709   2HD1  ILE  56          HD12      ILE  56   1.282  15.288  -7.058
  710   3HD1  ILE  56          HD13      ILE  56   0.756  16.799  -7.796
  711    H    ASP  57           HN       ASP  57   4.414  16.629  -4.483
  712    HA   ASP  57           HA       ASP  57   4.598  17.934  -1.942
  713   1HB   ASP  57          HB2       ASP  57   6.429  16.575  -2.939
  714   2HB   ASP  57          HB1       ASP  57   6.662  17.799  -4.143
  715    H    GLU  58           HN       GLU  58   5.502  20.164  -1.763
  716    HA   GLU  58           HA       GLU  58   3.999  22.034  -3.269
  717   1HB   GLU  58          HB2       GLU  58   5.394  23.745  -2.063
  718   2HB   GLU  58          HB1       GLU  58   4.549  22.603  -1.029
  719   1HG   GLU  58          HG2       GLU  58   6.577  21.354  -0.658
  720   2HG   GLU  58          HG1       GLU  58   7.451  22.377  -1.794
  721    H    GLN  59           HN       GLN  59   7.186  20.665  -3.637
  722    HA   GLN  59           HA       GLN  59   7.905  22.632  -5.690
  723   1HB   GLN  59          HB2       GLN  59  10.093  21.716  -5.605
  724   2HB   GLN  59          HB1       GLN  59   9.553  21.998  -3.972
  725   1HG   GLN  59          HG2       GLN  59   8.825  19.354  -4.432
  726   2HG   GLN  59          HG1       GLN  59  10.317  19.528  -5.346
  727   1HE2  GLN  59          HE21      GLN  59   9.657  21.348  -2.398
  728   2HE2  GLN  59          HE22      GLN  59  10.850  20.546  -1.470
  729    H    GLY  60           HN       GLY  60   6.162  19.814  -5.555
  730   1HA   GLY  60          HA2       GLY  60   5.716  19.358  -8.130
  731   2HA   GLY  60          HA1       GLY  60   7.277  18.569  -7.937
  732    H    GLU  61           HN       GLU  61   7.225  16.466  -7.401
  733    HA   GLU  61           HA       GLU  61   4.756  15.439  -6.159
  734   1HB   GLU  61          HB2       GLU  61   6.693  13.775  -7.753
  735   2HB   GLU  61          HB1       GLU  61   5.077  13.358  -7.211
  736   1HG   GLU  61          HG2       GLU  61   4.486  13.841  -9.293
  737   2HG   GLU  61          HG1       GLU  61   4.516  15.518  -8.748
  738    H    GLU  62           HN       GLU  62   5.019  14.880  -4.096
  739    HA   GLU  62           HA       GLU  62   7.602  14.297  -2.990
  740   1HB   GLU  62          HB2       GLU  62   5.205  15.218  -1.936
  741   2HB   GLU  62          HB1       GLU  62   5.241  13.561  -1.386
  742   1HG   GLU  62          HG2       GLU  62   7.464  15.532  -0.982
  743   2HG   GLU  62          HG1       GLU  62   6.233  15.205   0.181
  744    H    HIS  63           HN       HIS  63   6.893  12.207  -1.317
  745    HA   HIS  63           HA       HIS  63   8.528  10.456  -2.266
  746   1HB   HIS  63          HB2       HIS  63   7.680   8.912  -0.643
  747   2HB   HIS  63          HB1       HIS  63   7.532  10.541  -0.010
  748    HD1  HIS  63           HD1      HIS  63   5.736   7.637   0.160
  749    HD2  HIS  63           HD2      HIS  63   4.659  11.468  -1.041
  750    HE1  HIS  63           HE1      HIS  63   3.234   7.717   0.331
  751    HE2  HIS  63           HE2      HIS  63   2.674  10.097  -0.157
  752    H    THR  64           HN       THR  64   8.703   8.979  -3.784
  753    HA   THR  64           HA       THR  64   6.475   7.768  -5.113
  754    HB   THR  64           HB       THR  64   8.525   7.930  -6.336
  755    HG1  THR  64           HG1      THR  64   8.554   5.885  -7.124
  756   1HG2  THR  64          HG21      THR  64   9.771   6.579  -3.979
  757   2HG2  THR  64          HG22      THR  64  10.275   8.009  -4.859
  758   3HG2  THR  64          HG23      THR  64  10.471   6.421  -5.581
  759    H    PHE  65           HN       PHE  65   5.323   6.025  -4.370
  760    HA   PHE  65           HA       PHE  65   6.398   4.648  -1.979
  761   1HB   PHE  65          HB2       PHE  65   4.448   6.336  -1.709
  762   2HB   PHE  65          HB1       PHE  65   3.460   5.098  -2.446
  763    HD1  PHE  65           HD1      PHE  65   2.504   3.460  -1.113
  764    HD2  PHE  65           HD2      PHE  65   5.881   5.567   0.345
  765    HE1  PHE  65           HE1      PHE  65   2.228   2.379   1.046
  766    HE2  PHE  65           HE2      PHE  65   5.561   4.548   2.549
  767    HZ   PHE  65           HZ       PHE  65   3.761   2.963   2.915
  768    H    GLY  66           HN       GLY  66   6.053   4.030  -5.097
  769   1HA   GLY  66          HA2       GLY  66   6.283   1.336  -4.836
  770   2HA   GLY  66          HA1       GLY  66   4.557   1.572  -4.989
  771    H    LEU  67           HN       LEU  67   6.619   0.277  -6.721
  772    HA   LEU  67           HA       LEU  67   6.062   1.740  -9.232
  773   1HB   LEU  67          HB2       LEU  67   7.714   0.215 -10.279
  774   2HB   LEU  67          HB1       LEU  67   8.394   1.296  -9.085
  775    HG   LEU  67           HG       LEU  67   7.667  -1.458  -8.199
  776   1HD1  LEU  67          HD11      LEU  67   9.807  -2.357  -8.908
  777   2HD1  LEU  67          HD12      LEU  67  10.165  -0.844  -9.746
  778   3HD1  LEU  67          HD13      LEU  67   8.836  -1.866 -10.294
  779   1HD2  LEU  67          HD21      LEU  67   9.201  -1.112  -6.563
  780   2HD2  LEU  67          HD22      LEU  67   8.711   0.556  -6.825
  781   3HD2  LEU  67          HD23      LEU  67  10.170  -0.078  -7.555
  782    H    ILE  68           HN       ILE  68   4.044   1.102  -9.838
  783    HA   ILE  68           HA       ILE  68   3.093  -1.504  -9.117
  784    HB   ILE  68           HB       ILE  68   1.716   0.513 -10.842
  785   1HG1  ILE  68          HG12      ILE  68   1.453   0.001  -7.890
  786   2HG1  ILE  68          HG11      ILE  68   2.260   1.397  -8.579
  787   1HG2  ILE  68          HG21      ILE  68   0.721  -1.916  -9.439
  788   2HG2  ILE  68          HG22      ILE  68   0.754  -1.618 -11.172
  789   3HG2  ILE  68          HG23      ILE  68  -0.324  -0.710 -10.151
  790   1HD1  ILE  68          HD11      ILE  68  -0.668   0.744  -8.751
  791   2HD1  ILE  68          HD12      ILE  68   0.109   2.065  -9.592
  792   3HD1  ILE  68          HD13      ILE  68   0.100   2.034  -7.850
  793    H    ARG  69           HN       ARG  69   2.895  -3.245 -10.303
  794    HA   ARG  69           HA       ARG  69   4.163  -3.327 -12.954
  795   1HB   ARG  69          HB2       ARG  69   3.318  -5.728 -11.345
  796   2HB   ARG  69          HB1       ARG  69   4.634  -5.568 -12.501
  797   1HG   ARG  69          HG2       ARG  69   4.624  -4.191  -9.808
  798   2HG   ARG  69          HG1       ARG  69   5.268  -5.787 -10.085
  799   1HD   ARG  69          HD2       ARG  69   6.156  -3.436 -11.702
  800   2HD   ARG  69          HD1       ARG  69   6.884  -3.824 -10.149
  801    HE   ARG  69           HE       ARG  69   7.198  -6.151 -11.273
  802   1HH1  ARG  69          HH11      ARG  69   7.604  -3.015 -12.812
  803   2HH1  ARG  69          HH12      ARG  69   8.795  -3.593 -13.906
  804   1HH2  ARG  69          HH21      ARG  69   8.774  -6.884 -12.738
  805   2HH2  ARG  69          HH22      ARG  69   9.469  -5.775 -13.873
  806    H    LYS  70           HN       LYS  70   1.152  -3.692 -11.268
  807    HA   LYS  70           HA       LYS  70  -0.288  -4.144 -13.745
  808   1HB   LYS  70          HB2       LYS  70   0.022  -6.403 -13.258
  809   2HB   LYS  70          HB1       LYS  70  -0.085  -6.147 -11.538
  810   1HG   LYS  70          HG2       LYS  70  -2.463  -5.780 -11.663
  811   2HG   LYS  70          HG1       LYS  70  -2.409  -5.920 -13.421
  812   1HD   LYS  70          HD2       LYS  70  -1.484  -8.135 -11.589
  813   2HD   LYS  70          HD1       LYS  70  -3.168  -7.948 -12.053
  814   1HE   LYS  70          HE2       LYS  70  -0.995  -8.072 -14.128
  815   2HE   LYS  70          HE1       LYS  70  -1.681  -9.530 -13.418
  816   1HZ   LYS  70          HZ1       LYS  70  -3.869  -8.840 -14.158
  817   2HZ   LYS  70          HZ2       LYS  70  -2.799  -8.931 -15.463
  818   3HZ   LYS  70          HZ3       LYS  70  -3.226  -7.424 -14.829
  819    H    VAL  71           HN       VAL  71  -1.800  -2.649 -13.673
  820    HA   VAL  71           HA       VAL  71  -3.080  -2.011 -11.082
  821    HB   VAL  71           HB       VAL  71  -3.324  -0.296 -13.563
  822   1HG1  VAL  71          HG11      VAL  71  -3.664   1.475 -11.941
  823   2HG1  VAL  71          HG12      VAL  71  -3.377   0.339 -10.620
  824   3HG1  VAL  71          HG13      VAL  71  -4.786   0.145 -11.663
  825   1HG2  VAL  71          HG21      VAL  71  -1.155   0.199 -11.569
  826   2HG2  VAL  71          HG22      VAL  71  -1.410   0.924 -13.135
  827   3HG2  VAL  71          HG23      VAL  71  -0.851  -0.733 -13.029
  828    H    ASP  72           HN       ASP  72  -4.504  -3.850 -11.219
  829    HA   ASP  72           HA       ASP  72  -6.106  -4.031 -13.694
  830   1HB   ASP  72          HB2       ASP  72  -4.676  -5.967 -12.423
  831   2HB   ASP  72          HB1       ASP  72  -6.249  -6.240 -11.717
  832    H    GLU  73           HN       GLU  73  -7.129  -2.045 -12.516
  833    HA   GLU  73           HA       GLU  73  -8.960  -1.109 -11.581
  834   1HB   GLU  73          HB2       GLU  73 -11.023  -2.041 -12.349
  835   2HB   GLU  73          HB1       GLU  73  -9.820  -2.444 -13.524
  836   1HG   GLU  73          HG2       GLU  73  -9.680  -4.695 -12.751
  837   2HG   GLU  73          HG1       GLU  73 -10.770  -4.360 -11.413
  838    HA   PRO  74           HA       PRO  74 -10.288  -2.768  -7.496
  839   1HB   PRO  74          HB2       PRO  74 -13.075  -3.275  -8.429
  840   2HB   PRO  74          HB1       PRO  74 -12.484  -2.381  -7.034
  841   1HG   PRO  74          HG2       PRO  74 -13.454  -1.133  -9.179
  842   2HG   PRO  74          HG1       PRO  74 -12.086  -0.468  -8.266
  843   1HD   PRO  74          HD2       PRO  74 -12.117  -1.935 -10.850
  844   2HD   PRO  74          HD1       PRO  74 -11.114  -0.550 -10.371
  845    H    ASP  75           HN       ASP  75  -8.965  -4.579  -7.949
  846    HA   ASP  75           HA       ASP  75 -10.197  -7.115  -7.844
  847   1HB   ASP  75          HB2       ASP  75 -10.561  -6.591 -10.279
  848   2HB   ASP  75          HB1       ASP  75  -8.835  -6.517 -10.483
  849    H    THR  76           HN       THR  76  -7.239  -5.872  -9.449
  850    HA   THR  76           HA       THR  76  -5.659  -7.045  -7.307
  851    HB   THR  76           HB       THR  76  -4.179  -7.921  -9.410
  852    HG1  THR  76           HG1      THR  76  -6.858  -8.512 -10.182
  853   1HG2  THR  76          HG21      THR  76  -4.628  -9.276  -7.525
  854   2HG2  THR  76          HG22      THR  76  -5.206 -10.153  -8.935
  855   3HG2  THR  76          HG23      THR  76  -6.356  -9.338  -7.876
  856    H    LEU  77           HN       LEU  77  -3.702  -6.169  -6.958
  857    HA   LEU  77           HA       LEU  77  -2.688  -4.189  -8.882
  858   1HB   LEU  77          HB2       LEU  77  -2.827  -3.694  -5.904
  859   2HB   LEU  77          HB1       LEU  77  -2.168  -2.628  -7.128
  860    HG   LEU  77           HG       LEU  77  -4.599  -2.630  -8.094
  861   1HD1  LEU  77          HD11      LEU  77  -4.942  -4.107  -5.596
  862   2HD1  LEU  77          HD12      LEU  77  -6.022  -3.915  -6.971
  863   3HD1  LEU  77          HD13      LEU  77  -5.988  -2.694  -5.712
  864   1HD2  LEU  77          HD21      LEU  77  -5.171  -0.758  -6.553
  865   2HD2  LEU  77          HD22      LEU  77  -3.550  -0.676  -7.237
  866   3HD2  LEU  77          HD23      LEU  77  -3.771  -1.213  -5.589
  867    H    VAL  78           HN       VAL  78  -0.803  -5.175  -9.466
  868    HA   VAL  78           HA       VAL  78   0.850  -6.368  -7.353
  869    HB   VAL  78           HB       VAL  78   1.393  -6.280 -10.320
  870   1HG1  VAL  78          HG11      VAL  78   2.648  -7.885  -8.105
  871   2HG1  VAL  78          HG12      VAL  78   3.410  -6.589  -9.029
  872   3HG1  VAL  78          HG13      VAL  78   2.974  -8.097  -9.825
  873   1HG2  VAL  78          HG21      VAL  78   0.532  -8.473 -10.494
  874   2HG2  VAL  78          HG22      VAL  78  -0.704  -7.544  -9.656
  875   3HG2  VAL  78          HG23      VAL  78   0.355  -8.619  -8.760
  876    H    ILE  79           HN       ILE  79   2.276  -5.028  -6.324
  877    HA   ILE  79           HA       ILE  79   3.352  -2.755  -7.873
  878    HB   ILE  79           HB       ILE  79   3.007  -1.199  -6.228
  879   1HG1  ILE  79          HG12      ILE  79   1.986  -2.891  -4.053
  880   2HG1  ILE  79          HG11      ILE  79   3.662  -3.198  -4.394
  881   1HG2  ILE  79          HG21      ILE  79   0.679  -1.248  -5.632
  882   2HG2  ILE  79          HG22      ILE  79   0.609  -2.995  -5.858
  883   3HG2  ILE  79          HG23      ILE  79   0.870  -1.937  -7.241
  884   1HD1  ILE  79          HD11      ILE  79   4.148  -0.821  -4.110
  885   2HD1  ILE  79          HD12      ILE  79   3.452  -1.565  -2.675
  886   3HD1  ILE  79          HD13      ILE  79   2.453  -0.553  -3.711
  887    H    GLY  80           HN       GLY  80   5.354  -1.893  -7.148
  888   1HA   GLY  80          HA2       GLY  80   7.004  -3.862  -5.717
  889   2HA   GLY  80          HA1       GLY  80   7.597  -2.767  -6.914
  890    H    TRP  81           HN       TRP  81   8.942  -2.839  -4.716
  891    HA   TRP  81           HA       TRP  81   8.064  -1.438  -2.464
  892   1HB   TRP  81          HB2       TRP  81   9.848  -2.972  -2.295
  893   2HB   TRP  81          HB1       TRP  81  10.841  -2.114  -3.436
  894    HD1  TRP  81           HD1      TRP  81  12.122   0.015  -2.503
  895    HE1  TRP  81           HE1      TRP  81  12.587   0.902  -0.133
  896    HE3  TRP  81           HE3      TRP  81   8.792  -2.860   0.042
  897    HZ2  TRP  81           HZ2      TRP  81  11.646   0.384   2.482
  898    HZ3  TRP  81           HZ3      TRP  81   8.616  -2.585   2.479
  899    HH2  TRP  81           HH2      TRP  81  10.009  -0.967   3.646
  900    H    ARG  82           HN       ARG  82   8.178   0.566  -1.831
  901    HA   ARG  82           HA       ARG  82  10.150   2.426  -2.431
  902   1HB   ARG  82          HB2       ARG  82   7.987   2.417  -4.336
  903   2HB   ARG  82          HB1       ARG  82   7.916   3.880  -3.425
  904   1HG   ARG  82          HG2       ARG  82   9.388   4.703  -4.793
  905   2HG   ARG  82          HG1       ARG  82  10.601   3.665  -4.103
  906   1HD   ARG  82          HD2       ARG  82  10.063   1.984  -5.750
  907   2HD   ARG  82          HD1       ARG  82   8.792   2.978  -6.421
  908    HE   ARG  82           HE       ARG  82  10.702   4.614  -6.894
  909   1HH1  ARG  82          HH11      ARG  82  11.089   1.140  -6.949
  910   2HH1  ARG  82          HH12      ARG  82  12.276   1.153  -8.171
  911   1HH2  ARG  82          HH21      ARG  82  12.350   4.634  -8.477
  912   2HH2  ARG  82          HH22      ARG  82  13.042   3.138  -9.012
  913    H    LEU  83           HN       LEU  83   9.757   4.387  -1.118
  914    HA   LEU  83           HA       LEU  83   7.660   3.975   0.893
  915   1HB   LEU  83          HB2       LEU  83   9.586   4.215   2.665
  916   2HB   LEU  83          HB1       LEU  83   9.175   2.691   1.952
  917    HG   LEU  83           HG       LEU  83  11.074   2.704   0.521
  918   1HD1  LEU  83          HD11      LEU  83  11.377   5.542   1.415
  919   2HD1  LEU  83          HD12      LEU  83  11.408   4.879  -0.207
  920   3HD1  LEU  83          HD13      LEU  83  12.765   4.626   0.858
  921   1HD2  LEU  83          HD21      LEU  83  12.861   2.701   2.204
  922   2HD2  LEU  83          HD22      LEU  83  11.399   1.975   2.810
  923   3HD2  LEU  83          HD23      LEU  83  11.801   3.563   3.301
  924    H    ASN  84           HN       ASN  84   8.929   5.777   2.832
  925    HA   ASN  84           HA       ASN  84   7.787   8.150   1.571
  926   1HB   ASN  84          HB2       ASN  84   8.266   7.381   4.461
  927   2HB   ASN  84          HB1       ASN  84   7.619   8.941   3.960
  928   1HD2  ASN  84          HD21      ASN  84   6.445   6.757   5.595
  929   2HD2  ASN  84          HD22      ASN  84   5.014   6.285   4.764
  930    H    GLY  85           HN       GLY  85   8.736  10.251   1.928
  931   1HA   GLY  85          HA2       GLY  85  11.591  10.322   1.752
  932   2HA   GLY  85          HA1       GLY  85  10.517  11.702   1.905
  933    H    PHE  86           HN       PHE  86  11.884   9.033   3.775
  934    HA   PHE  86           HA       PHE  86  12.023  10.773   6.160
  935   1HB   PHE  86          HB2       PHE  86  10.072   9.043   6.051
  936   2HB   PHE  86          HB1       PHE  86  11.319   7.825   6.267
  937    HD1  PHE  86           HD1      PHE  86  11.730   7.131   8.433
  938    HD2  PHE  86           HD2      PHE  86  10.242  11.073   7.792
  939    HE1  PHE  86           HE1      PHE  86  11.610   7.483  10.861
  940    HE2  PHE  86           HE2      PHE  86  10.001  11.378  10.218
  941    HZ   PHE  86           HZ       PHE  86  10.704   9.580  11.760
  942    H    GLY  87           HN       GLY  87  13.248   8.614   7.720
  943   1HA   GLY  87          HA2       GLY  87  15.880   8.590   6.607
  944   2HA   GLY  87          HA1       GLY  87  15.372   7.968   8.175
  945    H    ARG  88           HN       ARG  88  14.821   7.283   4.762
  946    HA   ARG  88           HA       ARG  88  14.093   4.537   5.479
  947   1HB   ARG  88          HB2       ARG  88  13.163   4.637   3.119
  948   2HB   ARG  88          HB1       ARG  88  12.344   5.564   4.346
  949   1HG   ARG  88          HG2       ARG  88  12.452   6.888   2.429
  950   2HG   ARG  88          HG1       ARG  88  13.643   7.572   3.476
  951   1HD   ARG  88          HD2       ARG  88  14.673   5.502   1.648
  952   2HD   ARG  88          HD1       ARG  88  13.937   6.884   0.858
  953    HE   ARG  88           HE       ARG  88  15.853   7.570   2.914
  954   1HH1  ARG  88          HH11      ARG  88  15.381   6.878  -0.501
  955   2HH1  ARG  88          HH12      ARG  88  16.819   7.697  -0.968
  956   1HH2  ARG  88          HH21      ARG  88  17.741   8.637   2.277
  957   2HH2  ARG  88          HH22      ARG  88  18.172   8.696   0.601
  958    H    ILE  89           HN       ILE  89  14.516   2.903   3.820
  959    HA   ILE  89           HA       ILE  89  17.216   3.067   2.687
  960    HB   ILE  89           HB       ILE  89  16.574   1.031   3.920
  961   1HG1  ILE  89          HG12      ILE  89  17.722   1.126   1.273
  962   2HG1  ILE  89          HG11      ILE  89  18.074   0.122   2.609
  963   1HG2  ILE  89          HG21      ILE  89  14.181   1.030   3.403
  964   2HG2  ILE  89          HG22      ILE  89  14.915  -0.516   3.059
  965   3HG2  ILE  89          HG23      ILE  89  14.526   0.586   1.739
  966   1HD1  ILE  89          HD11      ILE  89  16.428  -1.495   1.919
  967   2HD1  ILE  89          HD12      ILE  89  17.589  -1.162   0.643
  968   3HD1  ILE  89          HD13      ILE  89  15.998  -0.454   0.576
  969    H    ASP  90           HN       ASP  90  17.572   2.670   0.428
  970    HA   ASP  90           HA       ASP  90  15.595   3.860  -1.253
  971   1HB   ASP  90          HB2       ASP  90  17.256   3.810  -2.944
  972   2HB   ASP  90          HB1       ASP  90  18.127   4.072  -1.447
  973    HA   PRO  91           HA       PRO  91  13.619   0.286  -3.021
  974   1HB   PRO  91          HB2       PRO  91  14.241   1.220  -5.755
  975   2HB   PRO  91          HB1       PRO  91  12.675   0.963  -4.978
  976   1HG   PRO  91          HG2       PRO  91  13.577   3.417  -5.432
  977   2HG   PRO  91          HG1       PRO  91  12.715   3.034  -3.928
  978   1HD   PRO  91          HD2       PRO  91  15.674   3.267  -4.402
  979   2HD   PRO  91          HD1       PRO  91  14.678   3.969  -3.106
  980    H    ASP  92           HN       ASP  92  16.332  -0.222  -2.382
  981    HA   ASP  92           HA       ASP  92  17.697  -1.547  -4.513
  982   1HB   ASP  92          HB2       ASP  92  18.867  -0.555  -2.586
  983   2HB   ASP  92          HB1       ASP  92  18.048  -1.663  -1.500
  984    H    ASN  93           HN       ASN  93  14.883  -2.291  -3.032
  985    HA   ASN  93           HA       ASN  93  15.437  -5.108  -2.526
  986   1HB   ASN  93          HB2       ASN  93  12.911  -3.634  -1.826
  987   2HB   ASN  93          HB1       ASN  93  13.589  -5.062  -1.117
  988   1HD2  ASN  93          HD21      ASN  93  13.583  -1.643  -1.154
  989   2HD2  ASN  93          HD22      ASN  93  14.484  -1.425   0.270
  990    H    SER  94           HN       SER  94  13.592  -2.914  -4.538
  991    HA   SER  94           HA       SER  94  12.082  -3.146  -6.164
  992   1HB   SER  94          HB2       SER  94  12.888  -6.067  -6.229
  993   2HB   SER  94          HB1       SER  94  11.906  -5.243  -7.430
  994    HG   SER  94           HG       SER  94  13.634  -4.060  -8.060
  995    H    SER  95           HN       SER  95  11.897  -5.934  -3.948
  996    HA   SER  95           HA       SER  95  10.112  -7.051  -3.096
  997   1HB   SER  95          HB2       SER  95   9.637  -4.286  -2.068
  998   2HB   SER  95          HB1       SER  95   9.097  -5.759  -1.331
  999    HG   SER  95           HG       SER  95  11.188  -6.331  -0.918
 1000    H    GLU  96           HN       GLU  96   8.833  -7.713  -4.787
 1001    HA   GLU  96           HA       GLU  96   6.687  -5.881  -5.630
 1002   1HB   GLU  96          HB2       GLU  96   8.047  -6.519  -7.483
 1003   2HB   GLU  96          HB1       GLU  96   8.073  -8.198  -6.966
 1004   1HG   GLU  96          HG2       GLU  96   5.607  -8.281  -7.447
 1005   2HG   GLU  96          HG1       GLU  96   5.774  -6.675  -8.154
 1006    H    PHE  97           HN       PHE  97   4.519  -6.699  -5.571
 1007    HA   PHE  97           HA       PHE  97   4.118  -9.393  -4.731
 1008   1HB   PHE  97          HB2       PHE  97   2.710  -8.642  -2.742
 1009   2HB   PHE  97          HB1       PHE  97   4.434  -8.742  -2.537
 1010    HD1  PHE  97           HD1      PHE  97   1.562  -6.487  -2.939
 1011    HD2  PHE  97           HD2      PHE  97   5.739  -6.727  -2.152
 1012    HE1  PHE  97           HE1      PHE  97   1.562  -4.133  -2.210
 1013    HE2  PHE  97           HE2      PHE  97   5.706  -4.445  -1.266
 1014    HZ   PHE  97           HZ       PHE  97   3.683  -3.141  -1.288
 1015    H    THR  98           HN       THR  98   2.125 -10.234  -5.066
 1016    HA   THR  98           HA       THR  98   0.430  -8.613  -6.793
 1017    HB   THR  98           HB       THR  98   0.002 -11.499  -5.972
 1018    HG1  THR  98           HG1      THR  98   1.987 -11.531  -6.924
 1019   1HG2  THR  98          HG21      THR  98  -1.916 -10.958  -7.067
 1020   2HG2  THR  98          HG22      THR  98  -0.920 -11.332  -8.469
 1021   3HG2  THR  98          HG23      THR  98  -1.185  -9.657  -7.997
 1022    H    VAL  99           HN       VAL  99  -0.938  -7.291  -5.724
 1023    HA   VAL  99           HA       VAL  99  -2.131  -8.077  -3.196
 1024    HB   VAL  99           HB       VAL  99  -2.529  -5.641  -4.933
 1025   1HG1  VAL  99          HG11      VAL  99  -3.568  -6.098  -2.183
 1026   2HG1  VAL  99          HG12      VAL  99  -4.564  -6.144  -3.635
 1027   3HG1  VAL  99          HG13      VAL  99  -3.773  -4.653  -3.150
 1028   1HG2  VAL  99          HG21      VAL  99  -0.309  -5.895  -3.800
 1029   2HG2  VAL  99          HG22      VAL  99  -1.165  -5.866  -2.260
 1030   3HG2  VAL  99          HG23      VAL  99  -1.217  -4.469  -3.322
 1031    H    THR 100           HN       THR 100  -3.700  -9.535  -3.232
 1032    HA   THR 100           HA       THR 100  -5.471  -9.683  -5.585
 1033    HB   THR 100           HB       THR 100  -5.162 -11.778  -3.427
 1034    HG1  THR 100           HG1      THR 100  -3.498 -12.642  -4.567
 1035   1HG2  THR 100          HG21      THR 100  -5.952 -13.264  -5.215
 1036   2HG2  THR 100          HG22      THR 100  -6.110 -11.879  -6.294
 1037   3HG2  THR 100          HG23      THR 100  -7.122 -11.998  -4.854
 1038    H    PHE 101           HN       PHE 101  -7.233  -8.421  -5.206
 1039    HA   PHE 101           HA       PHE 101  -8.483  -8.475  -2.556
 1040   1HB   PHE 101          HB2       PHE 101  -8.986  -6.841  -5.037
 1041   2HB   PHE 101          HB1       PHE 101 -10.111  -6.900  -3.716
 1042    HD1  PHE 101           HD1      PHE 101  -9.351  -6.169  -1.412
 1043    HD2  PHE 101           HD2      PHE 101  -7.089  -5.423  -4.926
 1044    HE1  PHE 101           HE1      PHE 101  -8.142  -4.417  -0.233
 1045    HE2  PHE 101           HE2      PHE 101  -5.914  -3.603  -3.751
 1046    HZ   PHE 101           HZ       PHE 101  -6.437  -3.107  -1.402
 1047    H    VAL 102           HN       VAL 102  -9.849 -10.069  -2.112
 1048    HA   VAL 102           HA       VAL 102 -11.292 -11.402  -4.305
 1049    HB   VAL 102           HB       VAL 102 -11.003 -12.230  -1.406
 1050   1HG1  VAL 102          HG11      VAL 102 -11.852 -14.415  -2.248
 1051   2HG1  VAL 102          HG12      VAL 102 -12.202 -13.640  -3.793
 1052   3HG1  VAL 102          HG13      VAL 102 -13.040 -13.120  -2.330
 1053   1HG2  VAL 102          HG21      VAL 102  -9.472 -13.942  -2.262
 1054   2HG2  VAL 102          HG22      VAL 102  -8.868 -12.318  -2.573
 1055   3HG2  VAL 102          HG23      VAL 102  -9.601 -13.250  -3.879
 1056    H    ALA 103           HN       ALA 103 -13.252 -10.639  -4.730
 1057    HA   ALA 103           HA       ALA 103 -14.679  -8.943  -2.916
 1058   1HB   ALA 103          HB1       ALA 103 -15.586 -10.169  -5.516
 1059   2HB   ALA 103          HB2       ALA 103 -14.772  -8.617  -5.331
 1060   3HB   ALA 103          HB3       ALA 103 -16.381  -8.853  -4.647
 1061    H    ASP 104           HN       ASP 104 -16.097  -9.511  -1.391
 1062    HA   ASP 104           HA       ASP 104 -17.286 -12.219  -1.493
 1063   1HB   ASP 104          HB2       ASP 104 -15.533 -11.899   0.271
 1064   2HB   ASP 104          HB1       ASP 104 -16.546 -10.690   0.997
 1065    H    GLY 105           HN       GLY 105 -19.371 -11.979  -2.007
 1066   1HA   GLY 105          HA2       GLY 105 -21.549 -11.303  -1.919
 1067   2HA   GLY 105          HA1       GLY 105 -21.204 -10.678  -0.314
 1068    H    GLN 106           HN       GLN 106 -19.226  -9.375  -2.779
 1069    HA   GLN 106           HA       GLN 106 -18.906  -7.329  -3.529
 1070   1HB   GLN 106          HB2       GLN 106 -21.011  -8.163  -4.796
 1071   2HB   GLN 106          HB1       GLN 106 -21.902  -7.029  -3.792
 1072   1HG   GLN 106          HG2       GLN 106 -21.375  -6.044  -5.935
 1073   2HG   GLN 106          HG1       GLN 106 -20.524  -5.191  -4.654
 1074   1HE2  GLN 106          HE21      GLN 106 -20.210  -7.287  -7.403
 1075   2HE2  GLN 106          HE22      GLN 106 -18.494  -7.172  -7.534
 1076    H    LYS 107           HN       LYS 107 -19.722  -7.685  -0.570
 1077    HA   LYS 107           HA       LYS 107 -19.608  -4.825  -0.067
 1078   1HB   LYS 107          HB2       LYS 107 -21.159  -4.937   1.754
 1079   2HB   LYS 107          HB1       LYS 107 -21.945  -5.485   0.288
 1080   1HG   LYS 107          HG2       LYS 107 -21.904  -7.732   0.933
 1081   2HG   LYS 107          HG1       LYS 107 -20.756  -7.451   2.238
 1082   1HD   LYS 107          HD2       LYS 107 -23.565  -6.347   2.154
 1083   2HD   LYS 107          HD1       LYS 107 -23.075  -7.805   3.014
 1084   1HE   LYS 107          HE2       LYS 107 -21.477  -6.444   4.338
 1085   2HE   LYS 107          HE1       LYS 107 -22.088  -5.001   3.535
 1086   1HZ   LYS 107          HZ1       LYS 107 -24.273  -5.450   4.453
 1087   2HZ   LYS 107          HZ2       LYS 107 -23.116  -5.313   5.679
 1088   3HZ   LYS 107          HZ3       LYS 107 -23.686  -6.839   5.228
 1089    H    LYS 108           HN       LYS 108 -18.001  -7.470   0.025
 1090    HA   LYS 108           HA       LYS 108 -16.432  -6.559   2.278
 1091   1HB   LYS 108          HB2       LYS 108 -17.966  -8.475   2.990
 1092   2HB   LYS 108          HB1       LYS 108 -17.045  -9.489   1.920
 1093   1HG   LYS 108          HG2       LYS 108 -14.994  -8.744   3.248
 1094   2HG   LYS 108          HG1       LYS 108 -16.144  -8.068   4.395
 1095   1HD   LYS 108          HD2       LYS 108 -15.930 -10.960   3.568
 1096   2HD   LYS 108          HD1       LYS 108 -15.373 -10.272   5.087
 1097   1HE   LYS 108          HE2       LYS 108 -17.385 -11.145   5.731
 1098   2HE   LYS 108          HE1       LYS 108 -17.875  -9.504   5.322
 1099   1HZ   LYS 108          HZ1       LYS 108 -18.590 -10.370   3.126
 1100   2HZ   LYS 108          HZ2       LYS 108 -19.395 -11.090   4.401
 1101   3HZ   LYS 108          HZ3       LYS 108 -18.159 -11.916   3.620
 1102    H    THR 109           HN       THR 109 -14.211  -7.147   1.989
 1103    HA   THR 109           HA       THR 109 -13.549  -8.771  -0.299
 1104    HB   THR 109           HB       THR 109 -12.869  -5.843  -0.245
 1105    HG1  THR 109           HG1      THR 109 -13.828  -7.184  -2.510
 1106   1HG2  THR 109          HG21      THR 109 -11.781  -7.918  -2.147
 1107   2HG2  THR 109          HG22      THR 109 -10.859  -7.235  -0.815
 1108   3HG2  THR 109          HG23      THR 109 -11.419  -6.200  -2.108
 1109    H    ARG 110           HN       ARG 110 -12.105 -10.097   0.390
 1110    HA   ARG 110           HA       ARG 110 -10.208  -9.317   2.484
 1111   1HB   ARG 110          HB2       ARG 110 -11.345 -11.364   2.916
 1112   2HB   ARG 110          HB1       ARG 110 -11.044 -11.950   1.290
 1113   1HG   ARG 110          HG2       ARG 110  -9.604 -13.126   2.712
 1114   2HG   ARG 110          HG1       ARG 110  -8.588 -11.989   1.845
 1115   1HD   ARG 110          HD2       ARG 110  -8.416 -10.573   3.747
 1116   2HD   ARG 110          HD1       ARG 110  -9.701 -11.448   4.593
 1117    HE   ARG 110           HE       ARG 110  -7.484 -13.135   3.906
 1118   1HH1  ARG 110          HH11      ARG 110  -8.577 -10.772   6.266
 1119   2HH1  ARG 110          HH12      ARG 110  -7.628 -11.450   7.535
 1120   1HH2  ARG 110          HH21      ARG 110  -6.268 -14.025   5.601
 1121   2HH2  ARG 110          HH22      ARG 110  -6.314 -13.288   7.168
 1122    H    VAL 111           HN       VAL 111  -8.293  -8.552   1.799
 1123    HA   VAL 111           HA       VAL 111  -7.359  -9.308  -0.861
 1124    HB   VAL 111           HB       VAL 111  -7.399  -6.925  -0.296
 1125   1HG1  VAL 111          HG11      VAL 111  -5.136  -7.472   1.588
 1126   2HG1  VAL 111          HG12      VAL 111  -6.806  -7.201   2.076
 1127   3HG1  VAL 111          HG13      VAL 111  -5.921  -5.929   1.247
 1128   1HG2  VAL 111          HG21      VAL 111  -5.165  -6.398  -1.105
 1129   2HG2  VAL 111          HG22      VAL 111  -5.888  -7.705  -2.014
 1130   3HG2  VAL 111          HG23      VAL 111  -4.656  -8.053  -0.803
 1131    H    ASP 112           HN       ASP 112  -5.716 -10.666  -1.153
 1132    HA   ASP 112           HA       ASP 112  -3.867 -11.103   1.069
 1133   1HB   ASP 112          HB2       ASP 112  -3.675 -13.425   0.552
 1134   2HB   ASP 112          HB1       ASP 112  -5.375 -13.048   0.788
 1135    H    VAL 113           HN       VAL 113  -1.865 -10.660   0.575
 1136    HA   VAL 113           HA       VAL 113  -1.092 -10.331  -2.198
 1137    HB   VAL 113           HB       VAL 113   0.045  -9.286   0.285
 1138   1HG1  VAL 113          HG11      VAL 113   1.823 -10.108  -1.926
 1139   2HG1  VAL 113          HG12      VAL 113   1.935 -10.541  -0.216
 1140   3HG1  VAL 113          HG13      VAL 113   2.246  -8.892  -0.721
 1141   1HG2  VAL 113          HG21      VAL 113  -1.186  -7.886  -1.270
 1142   2HG2  VAL 113          HG22      VAL 113  -0.006  -8.286  -2.517
 1143   3HG2  VAL 113          HG23      VAL 113   0.484  -7.355  -1.102
 1144    H    GLU 114           HN       GLU 114   0.123 -11.706  -3.242
 1145    HA   GLU 114           HA       GLU 114   1.664 -13.697  -1.707
 1146   1HB   GLU 114          HB2       GLU 114  -0.121 -14.110  -4.100
 1147   2HB   GLU 114          HB1       GLU 114   1.135 -15.260  -3.656
 1148   1HG   GLU 114          HG2       GLU 114  -1.026 -14.397  -1.742
 1149   2HG   GLU 114          HG1       GLU 114  -1.210 -15.748  -2.858
 1150    H    HIS 115           HN       HIS 115   3.704 -13.174  -2.053
 1151    HA   HIS 115           HA       HIS 115   4.643 -13.442  -4.770
 1152   1HB   HIS 115          HB2       HIS 115   4.238 -10.985  -4.385
 1153   2HB   HIS 115          HB1       HIS 115   5.574 -10.997  -3.265
 1154    HD1  HIS 115           HD1      HIS 115   7.944 -11.423  -4.246
 1155    HD2  HIS 115           HD2      HIS 115   4.921 -11.090  -7.063
 1156    HE1  HIS 115           HE1      HIS 115   9.107 -11.077  -6.437
 1157    HE2  HIS 115           HE2      HIS 115   7.266 -11.012  -8.149
 1158    H    THR 116           HN       THR 116   6.955 -13.820  -4.872
 1159    HA   THR 116           HA       THR 116   8.366 -14.292  -2.387
 1160    HB   THR 116           HB       THR 116   7.800 -16.666  -4.172
 1161    HG1  THR 116           HG1      THR 116   5.879 -16.384  -3.180
 1162   1HG2  THR 116          HG21      THR 116   9.880 -16.833  -2.931
 1163   2HG2  THR 116          HG22      THR 116   8.682 -17.917  -2.228
 1164   3HG2  THR 116          HG23      THR 116   9.057 -16.389  -1.434
 1165    H    HIS 117           HN       HIS 117   9.961 -12.927  -3.218
 1166    HA   HIS 117           HA       HIS 117  12.033 -14.273  -4.562
 1167   1HB   HIS 117          HB2       HIS 117  10.474 -13.655  -6.523
 1168   2HB   HIS 117          HB1       HIS 117  10.912 -11.999  -6.228
 1169    HD1  HIS 117           HD1      HIS 117  11.780 -14.685  -8.299
 1170    HD2  HIS 117           HD2      HIS 117  13.969 -11.804  -6.266
 1171    HE1  HIS 117           HE1      HIS 117  14.011 -14.598  -9.451
 1172    HE2  HIS 117           HE2      HIS 117  15.279 -12.768  -8.273
 1173    H    PHE 118           HN       PHE 118  10.893 -10.897  -4.570
 1174    HA   PHE 118           HA       PHE 118  13.510  -9.978  -3.657
 1175   1HB   PHE 118          HB2       PHE 118  11.043  -8.320  -4.163
 1176   2HB   PHE 118          HB1       PHE 118  12.713  -7.817  -4.161
 1177    HD1  PHE 118           HD1      PHE 118  14.243  -8.882  -5.981
 1178    HD2  PHE 118           HD2      PHE 118   9.990  -8.802  -6.156
 1179    HE1  PHE 118           HE1      PHE 118  14.333  -9.219  -8.412
 1180    HE2  PHE 118           HE2      PHE 118  10.075  -9.136  -8.584
 1181    HZ   PHE 118           HZ       PHE 118  12.251  -9.349  -9.718
 1182    H    ASP 119           HN       ASP 119  10.277 -10.408  -2.578
 1183    HA   ASP 119           HA       ASP 119  10.279  -8.917  -0.204
 1184   1HB   ASP 119          HB2       ASP 119   8.361 -10.534   0.339
 1185   2HB   ASP 119          HB1       ASP 119   8.204  -9.546  -1.109
 1186    H    ARG 120           HN       ARG 120  11.420 -12.107  -0.963
 1187    HA   ARG 120           HA       ARG 120  11.488 -13.286   1.559
 1188   1HB   ARG 120          HB2       ARG 120  12.011 -14.182  -0.895
 1189   2HB   ARG 120          HB1       ARG 120  13.672 -13.895  -0.394
 1190   1HG   ARG 120          HG2       ARG 120  12.672 -15.261   1.759
 1191   2HG   ARG 120          HG1       ARG 120  11.745 -15.935   0.430
 1192   1HD   ARG 120          HD2       ARG 120  13.655 -17.287   0.699
 1193   2HD   ARG 120          HD1       ARG 120  13.874 -16.334  -0.771
 1194    HE   ARG 120           HE       ARG 120  15.007 -15.188   1.646
 1195   1HH1  ARG 120          HH11      ARG 120  15.598 -17.219  -1.157
 1196   2HH1  ARG 120          HH12      ARG 120  17.302 -17.006  -1.075
 1197   1HH2  ARG 120          HH21      ARG 120  17.249 -14.931   1.738
 1198   2HH2  ARG 120          HH22      ARG 120  18.251 -15.716   0.564
 1199    H    MET 121           HN       MET 121  13.205 -10.639   0.514
 1200    HA   MET 121           HA       MET 121  15.807 -10.916   1.337
 1201   1HB   MET 121          HB2       MET 121  15.843  -8.527   1.181
 1202   2HB   MET 121          HB1       MET 121  14.848  -9.151  -0.092
 1203   1HG   MET 121          HG2       MET 121  12.836  -8.666   1.199
 1204   2HG   MET 121          HG1       MET 121  13.810  -8.015   2.507
 1205   1HE   MET 121          HE1       MET 121  11.408  -6.283   1.238
 1206   2HE   MET 121          HE2       MET 121  12.285  -4.756   1.355
 1207   3HE   MET 121          HE3       MET 121  12.461  -5.978   2.615
 1208    H    GLY 122           HN       GLY 122  13.264 -11.109   3.454
 1209   1HA   GLY 122          HA2       GLY 122  13.599  -9.587   5.573
 1210   2HA   GLY 122          HA1       GLY 122  13.227 -11.256   5.714
 1211    H    THR 123           HN       THR 123  14.473 -10.091   7.738
 1212    HA   THR 123           HA       THR 123  16.217 -10.305   9.130
 1213    HB   THR 123           HB       THR 123  17.810 -11.635   6.914
 1214    HG1  THR 123           HG1      THR 123  16.995 -13.531   7.630
 1215   1HG2  THR 123          HG21      THR 123  18.178 -11.553   9.904
 1216   2HG2  THR 123          HG22      THR 123  19.219 -10.798   8.695
 1217   3HG2  THR 123          HG23      THR 123  19.106 -12.553   8.788
 1218    H    LYS 124           HN       LYS 124  18.352  -9.883   6.261
 1219    HA   LYS 124           HA       LYS 124  19.411  -7.546   7.580
 1220   1HB   LYS 124          HB2       LYS 124  21.054  -7.467   5.842
 1221   2HB   LYS 124          HB1       LYS 124  20.858  -9.130   6.368
 1222   1HG   LYS 124          HG2       LYS 124  19.544  -9.633   4.378
 1223   2HG   LYS 124          HG1       LYS 124  19.649  -7.957   3.870
 1224   1HD   LYS 124          HD2       LYS 124  21.246  -9.207   2.631
 1225   2HD   LYS 124          HD1       LYS 124  22.094  -8.137   3.747
 1226   1HE   LYS 124          HE2       LYS 124  23.137 -10.309   3.733
 1227   2HE   LYS 124          HE1       LYS 124  22.387 -10.048   5.299
 1228   1HZ   LYS 124          HZ1       LYS 124  21.136 -11.587   3.086
 1229   2HZ   LYS 124          HZ2       LYS 124  20.579 -11.457   4.681
 1230   3HZ   LYS 124          HZ3       LYS 124  22.016 -12.278   4.353
 1231    H    HIS 125           HN       HIS 125  17.581  -8.138   4.578
 1232    HA   HIS 125           HA       HIS 125  17.780  -5.388   3.776
 1233   1HB   HIS 125          HB2       HIS 125  17.207  -7.817   2.516
 1234   2HB   HIS 125          HB1       HIS 125  15.690  -6.963   2.519
 1235    HD1  HIS 125           HD1      HIS 125  16.354  -7.250  -0.177
 1236    HD2  HIS 125           HD2      HIS 125  18.427  -4.450   2.012
 1237    HE1  HIS 125           HE1      HIS 125  17.381  -5.739  -1.856
 1238    HE2  HIS 125           HE2      HIS 125  18.504  -3.937  -0.505
 1239    H    ALA 126           HN       ALA 126  15.555  -7.394   5.531
 1240    HA   ALA 126           HA       ALA 126  13.388  -5.515   5.450
 1241   1HB   ALA 126          HB1       ALA 126  12.799  -7.773   5.630
 1242   2HB   ALA 126          HB2       ALA 126  12.411  -7.051   7.186
 1243   3HB   ALA 126          HB3       ALA 126  13.868  -8.032   7.009
 1244    H    LYS 127           HN       LYS 127  16.145  -6.105   7.574
 1245    HA   LYS 127           HA       LYS 127  15.186  -4.520   9.738
 1246   1HB   LYS 127          HB2       LYS 127  17.900  -5.498   8.908
 1247   2HB   LYS 127          HB1       LYS 127  17.760  -4.303  10.195
 1248   1HG   LYS 127          HG2       LYS 127  16.315  -5.793  11.443
 1249   2HG   LYS 127          HG1       LYS 127  16.440  -7.009  10.184
 1250   1HD   LYS 127          HD2       LYS 127  18.884  -7.101  10.557
 1251   2HD   LYS 127          HD1       LYS 127  18.706  -5.908  11.849
 1252   1HE   LYS 127          HE2       LYS 127  17.461  -8.657  11.780
 1253   2HE   LYS 127          HE1       LYS 127  18.850  -8.167  12.749
 1254   1HZ   LYS 127          HZ1       LYS 127  16.046  -7.246  13.021
 1255   2HZ   LYS 127          HZ2       LYS 127  17.341  -6.485  13.805
 1256   3HZ   LYS 127          HZ3       LYS 127  16.974  -8.100  14.144
 1257    H    ARG 128           HN       ARG 128  17.171  -3.730   6.881
 1258    HA   ARG 128           HA       ARG 128  17.312  -0.961   7.608
 1259   1HB   ARG 128          HB2       ARG 128  18.099  -0.568   5.311
 1260   2HB   ARG 128          HB1       ARG 128  19.004  -1.802   6.172
 1261   1HG   ARG 128          HG2       ARG 128  17.541  -3.489   4.929
 1262   2HG   ARG 128          HG1       ARG 128  17.061  -2.135   3.909
 1263   1HD   ARG 128          HD2       ARG 128  19.865  -3.156   4.371
 1264   2HD   ARG 128          HD1       ARG 128  18.894  -3.354   2.941
 1265    HE   ARG 128           HE       ARG 128  19.451  -0.625   3.747
 1266   1HH1  ARG 128          HH11      ARG 128  20.442  -3.308   1.710
 1267   2HH1  ARG 128          HH12      ARG 128  21.170  -2.277   0.539
 1268   1HH2  ARG 128          HH21      ARG 128  20.411   0.708   2.185
 1269   2HH2  ARG 128          HH22      ARG 128  21.167  -0.008   0.801
 1270    H    VAL 129           HN       VAL 129  14.978  -2.904   5.867
 1271    HA   VAL 129           HA       VAL 129  13.334  -0.806   4.935
 1272    HB   VAL 129           HB       VAL 129  12.784  -3.644   5.756
 1273   1HG1  VAL 129          HG11      VAL 129  10.721  -2.871   6.310
 1274   2HG1  VAL 129          HG12      VAL 129  10.482  -3.166   4.593
 1275   3HG1  VAL 129          HG13      VAL 129  10.782  -1.533   5.179
 1276   1HG2  VAL 129          HG21      VAL 129  13.957  -3.141   3.614
 1277   2HG2  VAL 129          HG22      VAL 129  12.522  -2.284   3.095
 1278   3HG2  VAL 129          HG23      VAL 129  12.442  -4.002   3.432
 1279    H    ARG 130           HN       ARG 130  13.744  -2.256   8.086
 1280    HA   ARG 130           HA       ARG 130  11.391  -1.459   9.337
 1281   1HB   ARG 130          HB2       ARG 130  13.191  -3.119  10.115
 1282   2HB   ARG 130          HB1       ARG 130  14.060  -1.728  10.722
 1283   1HG   ARG 130          HG2       ARG 130  12.916  -2.569  12.563
 1284   2HG   ARG 130          HG1       ARG 130  11.983  -1.162  12.068
 1285   1HD   ARG 130          HD2       ARG 130  10.509  -3.017  12.587
 1286   2HD   ARG 130          HD1       ARG 130  10.433  -2.635  10.875
 1287    HE   ARG 130           HE       ARG 130  12.343  -4.681  11.405
 1288   1HH1  ARG 130          HH11      ARG 130   8.891  -4.129  11.026
 1289   2HH1  ARG 130          HH12      ARG 130   8.579  -5.747  10.531
 1290   1HH2  ARG 130          HH21      ARG 130  11.896  -6.804  10.750
 1291   2HH2  ARG 130          HH22      ARG 130  10.270  -7.268  10.388
 1292    H    ASN 131           HN       ASN 131  14.019   0.490   8.332
 1293    HA   ASN 131           HA       ASN 131  14.419   2.312  10.309
 1294   1HB   ASN 131          HB2       ASN 131  14.329   2.761   7.319
 1295   2HB   ASN 131          HB1       ASN 131  14.887   3.967   8.466
 1296   1HD2  ASN 131          HD21      ASN 131  16.396   2.855   6.335
 1297   2HD2  ASN 131          HD22      ASN 131  17.739   2.039   7.053
 1298    H    GLY 132           HN       GLY 132  12.005   2.726   7.684
 1299   1HA   GLY 132          HA2       GLY 132  10.439   4.412   9.558
 1300   2HA   GLY 132          HA1       GLY 132  10.933   5.054   8.001
 1301    H    MET 133           HN       MET 133  10.413   1.979   7.195
 1302    HA   MET 133           HA       MET 133   7.839   2.634   6.079
 1303   1HB   MET 133          HB2       MET 133   9.628   1.428   4.816
 1304   2HB   MET 133          HB1       MET 133   9.425   0.060   5.896
 1305   1HG   MET 133          HG2       MET 133   8.207  -0.399   3.897
 1306   2HG   MET 133          HG1       MET 133   7.056  -0.102   5.159
 1307   1HE   MET 133          HE1       MET 133   5.281   0.102   3.002
 1308   2HE   MET 133          HE2       MET 133   6.668  -0.097   1.932
 1309   3HE   MET 133          HE3       MET 133   5.564   1.257   1.700
 1310    H    ASP 134           HN       ASP 134   9.125   0.738   8.688
 1311    HA   ASP 134           HA       ASP 134   6.934  -0.999   9.112
 1312   1HB   ASP 134          HB2       ASP 134   9.189  -1.368  10.011
 1313   2HB   ASP 134          HB1       ASP 134   9.007   0.016  11.078
 1314    H    LYS 135           HN       LYS 135   7.483   2.332   9.897
 1315    HA   LYS 135           HA       LYS 135   5.248   2.364  11.805
 1316   1HB   LYS 135          HB2       LYS 135   7.389   4.383  11.131
 1317   2HB   LYS 135          HB1       LYS 135   6.101   4.683  12.278
 1318   1HG   LYS 135          HG2       LYS 135   8.217   2.543  12.500
 1319   2HG   LYS 135          HG1       LYS 135   8.197   4.072  13.381
 1320   1HD   LYS 135          HD2       LYS 135   6.129   1.872  13.603
 1321   2HD   LYS 135          HD1       LYS 135   7.396   2.227  14.767
 1322   1HE   LYS 135          HE2       LYS 135   6.444   4.456  15.134
 1323   2HE   LYS 135          HE1       LYS 135   5.154   4.090  13.991
 1324   1HZ   LYS 135          HZ1       LYS 135   4.426   2.298  15.420
 1325   2HZ   LYS 135          HZ2       LYS 135   4.430   3.772  16.248
 1326   3HZ   LYS 135          HZ3       LYS 135   5.660   2.647  16.527
 1327    H    GLY 136           HN       GLY 136   4.927   2.100   8.832
 1328   1HA   GLY 136          HA2       GLY 136   3.220   4.478   8.500
 1329   2HA   GLY 136          HA1       GLY 136   4.388   4.058   7.261
 1330    H    TRP 137           HN       TRP 137   4.113   1.955   6.181
 1331    HA   TRP 137           HA       TRP 137   1.464   1.872   5.244
 1332   1HB   TRP 137          HB2       TRP 137   3.444   1.425   3.861
 1333   2HB   TRP 137          HB1       TRP 137   3.636  -0.111   4.673
 1334    HD1  TRP 137           HD1      TRP 137   0.976   1.713   2.541
 1335    HE1  TRP 137           HE1      TRP 137  -0.245  -0.038   1.124
 1336    HE3  TRP 137           HE3      TRP 137   3.234  -2.497   4.343
 1337    HZ2  TRP 137           HZ2      TRP 137  -0.256  -2.842   0.801
 1338    HZ3  TRP 137           HZ3      TRP 137   2.560  -4.679   3.427
 1339    HH2  TRP 137           HH2      TRP 137   0.849  -4.848   1.694
 1340    HA   PRO 138           HA       PRO 138   1.050  -2.451   7.546
 1341   1HB   PRO 138          HB2       PRO 138   2.413  -2.339   9.980
 1342   2HB   PRO 138          HB1       PRO 138   2.931  -3.239   8.555
 1343   1HG   PRO 138          HG2       PRO 138   3.767  -0.531   9.477
 1344   2HG   PRO 138          HG1       PRO 138   4.765  -1.845   8.825
 1345   1HD   PRO 138          HD2       PRO 138   4.100   0.219   7.330
 1346   2HD   PRO 138          HD1       PRO 138   4.103  -1.400   6.631
 1347    H    THR 139           HN       THR 139   1.717   0.607   9.160
 1348    HA   THR 139           HA       THR 139  -0.428   0.504  11.026
 1349    HB   THR 139           HB       THR 139   1.178   2.807   9.900
 1350    HG1  THR 139           HG1      THR 139   1.415   1.360  12.351
 1351   1HG2  THR 139          HG21      THR 139   0.450   3.968  12.010
 1352   2HG2  THR 139          HG22      THR 139  -0.804   2.737  12.154
 1353   3HG2  THR 139          HG23      THR 139  -0.764   3.802  10.760
 1354    H    ILE 140           HN       ILE 140   0.041   1.855   7.798
 1355    HA   ILE 140           HA       ILE 140  -2.338   3.111   7.394
 1356    HB   ILE 140           HB       ILE 140  -0.650   1.615   5.452
 1357   1HG1  ILE 140          HG12      ILE 140  -1.026   4.582   5.850
 1358   2HG1  ILE 140          HG11      ILE 140   0.339   3.657   6.427
 1359   1HG2  ILE 140          HG21      ILE 140  -1.902   2.726   3.644
 1360   2HG2  ILE 140          HG22      ILE 140  -3.046   3.301   4.842
 1361   3HG2  ILE 140          HG23      ILE 140  -2.861   1.578   4.542
 1362   1HD1  ILE 140          HD11      ILE 140   0.002   3.236   3.595
 1363   2HD1  ILE 140          HD12      ILE 140   1.376   3.847   4.495
 1364   3HD1  ILE 140          HD13      ILE 140   0.105   4.943   3.999
 1365    H    LEU 141           HN       LEU 141  -1.592  -0.280   6.874
 1366    HA   LEU 141           HA       LEU 141  -4.037  -0.995   5.727
 1367   1HB   LEU 141          HB2       LEU 141  -2.166  -2.672   7.394
 1368   2HB   LEU 141          HB1       LEU 141  -3.463  -3.307   6.388
 1369    HG   LEU 141           HG       LEU 141  -0.985  -1.875   5.444
 1370   1HD1  LEU 141          HD11      LEU 141  -0.566  -4.036   4.302
 1371   2HD1  LEU 141          HD12      LEU 141  -1.954  -4.709   5.162
 1372   3HD1  LEU 141          HD13      LEU 141  -0.549  -4.145   6.060
 1373   1HD2  LEU 141          HD21      LEU 141  -3.455  -2.732   3.951
 1374   2HD2  LEU 141          HD22      LEU 141  -1.902  -2.466   3.155
 1375   3HD2  LEU 141          HD23      LEU 141  -2.696  -1.142   4.000
 1376    H    GLN 142           HN       GLN 142  -3.186  -0.547   9.092
 1377    HA   GLN 142           HA       GLN 142  -5.487  -1.882  10.136
 1378   1HB   GLN 142          HB2       GLN 142  -3.794   0.267  11.438
 1379   2HB   GLN 142          HB1       GLN 142  -4.902  -0.829  12.253
 1380   1HG   GLN 142          HG2       GLN 142  -2.315  -1.514  10.897
 1381   2HG   GLN 142          HG1       GLN 142  -2.679  -1.590  12.614
 1382   1HE2  GLN 142          HE21      GLN 142  -3.018  -3.162   9.536
 1383   2HE2  GLN 142          HE22      GLN 142  -3.672  -4.638  10.148
 1384    H    SER 143           HN       SER 143  -4.674   1.568   9.681
 1385    HA   SER 143           HA       SER 143  -7.309   2.456  10.371
 1386   1HB   SER 143          HB2       SER 143  -5.154   3.875   8.864
 1387   2HB   SER 143          HB1       SER 143  -6.549   4.651   9.579
 1388    HG   SER 143           HG       SER 143  -5.756   4.218  11.582
 1389    H    PHE 144           HN       PHE 144  -5.799   1.369   7.443
 1390    HA   PHE 144           HA       PHE 144  -7.553   2.279   5.488
 1391   1HB   PHE 144          HB2       PHE 144  -5.470   1.133   4.980
 1392   2HB   PHE 144          HB1       PHE 144  -6.039  -0.316   5.766
 1393    HD1  PHE 144           HD1      PHE 144  -6.406   1.815   2.799
 1394    HD2  PHE 144           HD2      PHE 144  -7.490  -1.865   4.642
 1395    HE1  PHE 144           HE1      PHE 144  -7.297   0.989   0.675
 1396    HE2  PHE 144           HE2      PHE 144  -8.230  -2.735   2.476
 1397    HZ   PHE 144           HZ       PHE 144  -8.152  -1.320   0.484
 1398    H    GLN 145           HN       GLN 145  -7.646  -0.762   7.337
 1399    HA   GLN 145           HA       GLN 145 -10.176  -1.585   6.334
 1400   1HB   GLN 145          HB2       GLN 145  -8.604  -2.374   8.785
 1401   2HB   GLN 145          HB1       GLN 145 -10.119  -3.151   8.331
 1402   1HG   GLN 145          HG2       GLN 145  -9.229  -4.026   6.376
 1403   2HG   GLN 145          HG1       GLN 145  -7.795  -3.002   6.438
 1404   1HE2  GLN 145          HE21      GLN 145  -6.157  -3.489   7.959
 1405   2HE2  GLN 145          HE22      GLN 145  -6.029  -5.070   8.637
 1406    H    ASP 146           HN       ASP 146  -9.206   0.415   9.068
 1407    HA   ASP 146           HA       ASP 146 -11.801   0.294  10.300
 1408   1HB   ASP 146          HB2       ASP 146  -9.732   0.722  11.603
 1409   2HB   ASP 146          HB1       ASP 146  -9.603   2.305  10.836
 1410    H    LYS 147           HN       LYS 147 -10.072   2.847   8.440
 1411    HA   LYS 147           HA       LYS 147 -12.140   4.705   8.342
 1412   1HB   LYS 147          HB2       LYS 147  -9.742   4.840   7.377
 1413   2HB   LYS 147          HB1       LYS 147 -10.401   4.091   5.932
 1414   1HG   LYS 147          HG2       LYS 147 -11.398   6.660   7.132
 1415   2HG   LYS 147          HG1       LYS 147 -10.208   6.576   5.844
 1416   1HD   LYS 147          HD2       LYS 147 -11.823   5.583   4.364
 1417   2HD   LYS 147          HD1       LYS 147 -12.993   5.451   5.653
 1418   1HE   LYS 147          HE2       LYS 147 -13.603   7.303   4.329
 1419   2HE   LYS 147          HE1       LYS 147 -13.020   7.899   5.881
 1420   1HZ   LYS 147          HZ1       LYS 147 -11.212   7.702   3.555
 1421   2HZ   LYS 147          HZ2       LYS 147 -11.065   8.666   4.933
 1422   3HZ   LYS 147          HZ3       LYS 147 -12.223   9.041   3.760
 1423    H    ILE 148           HN       ILE 148 -11.519   1.918   6.225
 1424    HA   ILE 148           HA       ILE 148 -13.803   2.275   4.593
 1425    HB   ILE 148           HB       ILE 148 -12.015  -0.080   5.098
 1426   1HG1  ILE 148          HG12      ILE 148 -12.383   1.765   2.728
 1427   2HG1  ILE 148          HG11      ILE 148 -11.044   1.806   3.871
 1428   1HG2  ILE 148          HG21      ILE 148 -14.468   0.093   3.378
 1429   2HG2  ILE 148          HG22      ILE 148 -13.987  -1.163   4.514
 1430   3HG2  ILE 148          HG23      ILE 148 -13.155  -0.995   2.995
 1431   1HD1  ILE 148          HD11      ILE 148 -10.640  -0.630   3.117
 1432   2HD1  ILE 148          HD12      ILE 148 -10.159   0.692   2.075
 1433   3HD1  ILE 148          HD13      ILE 148 -11.644  -0.186   1.738
 1434    H    ASP 149           HN       ASP 149 -13.261   0.541   7.599
 1435    HA   ASP 149           HA       ASP 149 -15.628  -0.933   7.714
 1436   1HB   ASP 149          HB2       ASP 149 -13.732  -1.161   9.295
 1437   2HB   ASP 149          HB1       ASP 149 -14.148   0.382  10.012
 1438    H    GLU 150           HN       GLU 150 -14.957   2.434   8.323
 1439    HA   GLU 150           HA       GLU 150 -17.539   3.023   9.412
 1440   1HB   GLU 150          HB2       GLU 150 -15.497   4.975   8.380
 1441   2HB   GLU 150          HB1       GLU 150 -16.775   5.275   9.524
 1442   1HG   GLU 150          HG2       GLU 150 -15.598   3.524  10.973
 1443   2HG   GLU 150          HG1       GLU 150 -14.254   3.809   9.913
 1444    H    GLU 151           HN       GLU 151 -16.272   2.657   6.281
 1445    HA   GLU 151           HA       GLU 151 -17.910   4.575   4.953
 1446   1HB   GLU 151          HB2       GLU 151 -16.310   2.245   3.891
 1447   2HB   GLU 151          HB1       GLU 151 -17.109   3.435   2.882
 1448   1HG   GLU 151          HG2       GLU 151 -14.957   4.038   4.879
 1449   2HG   GLU 151          HG1       GLU 151 -14.718   3.879   3.150
 1450    H    GLY 152           HN       GLY 152 -18.420   1.307   6.006
 1451   1HA   GLY 152          HA2       GLY 152 -21.165   1.443   5.200
 1452   2HA   GLY 152          HA1       GLY 152 -20.236   0.381   4.151
 1453    H    ALA 153           HN       ALA 153 -20.290   0.989   7.651
 1454    HA   ALA 153           HA       ALA 153 -21.495  -1.484   8.332
 1455   1HB   ALA 153          HB1       ALA 153 -19.618  -2.679   9.264
 1456   2HB   ALA 153          HB2       ALA 153 -18.507  -1.407   8.782
 1457   3HB   ALA 153          HB3       ALA 153 -19.313  -2.376   7.560
 1458    H    LYS 154           HN       LYS 154 -19.021   0.815   9.456
 1459    HA   LYS 154           HA       LYS 154 -20.129   0.733  12.168
 1460   1HB   LYS 154          HB2       LYS 154 -17.695   0.613  11.784
 1461   2HB   LYS 154          HB1       LYS 154 -17.718   2.216  11.095
 1462   1HG   LYS 154          HG2       LYS 154 -18.837   2.814  13.427
 1463   2HG   LYS 154          HG1       LYS 154 -18.030   1.326  13.911
 1464   1HD   LYS 154          HD2       LYS 154 -16.712   3.722  12.644
 1465   2HD   LYS 154          HD1       LYS 154 -16.677   3.309  14.351
 1466   1HE   LYS 154          HE2       LYS 154 -15.514   1.206  13.812
 1467   2HE   LYS 154          HE1       LYS 154 -15.507   1.667  12.111
 1468   1HZ   LYS 154          HZ1       LYS 154 -14.395   3.619  13.972
 1469   2HZ   LYS 154          HZ2       LYS 154 -13.882   3.164  12.427
 1470   3HZ   LYS 154          HZ3       LYS 154 -13.518   2.193  13.751
 1471    H    LYS 155           HN       LYS 155 -19.172   3.296   9.871
 1472    HA   LYS 155           HA       LYS 155 -20.659   5.241  11.461
 1473   1HB   LYS 155          HB2       LYS 155 -18.358   5.789  10.985
 1474   2HB   LYS 155          HB1       LYS 155 -18.638   5.496   9.292
 1475   1HG   LYS 155          HG2       LYS 155 -20.288   7.453   9.379
 1476   2HG   LYS 155          HG1       LYS 155 -19.583   7.786  10.961
 1477   1HD   LYS 155          HD2       LYS 155 -18.564   9.100   9.133
 1478   2HD   LYS 155          HD1       LYS 155 -17.403   8.072   9.976
 1479   1HE   LYS 155          HE2       LYS 155 -17.139   8.053   7.519
 1480   2HE   LYS 155          HE1       LYS 155 -17.460   6.470   8.152
 1481   1HZ   LYS 155          HZ1       LYS 155 -19.713   6.596   7.422
 1482   2HZ   LYS 155          HZ2       LYS 155 -18.717   7.026   6.128
 1483   3HZ   LYS 155          HZ3       LYS 155 -19.539   8.225   6.989