*HEADER    TOXIN                                   20-FEB-08   2K13              
*TITLE     SOLUTION NMR STRUCTURE OF THE LEECH PROTEIN SARATIN, A                
*TITLE    2 NOVEL INHIBITOR OF HAEMOSTASIS                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SARATIN;                                                   
*COMPND   3 CHAIN: X                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HAEMENTERIA OFFICINALIS;                        
*SOURCE   3 ORGANISM_COMMON: MEXICAN LEECH                                       
*KEYWDS    COLLAGEN BINDING, MIXED ALPHA/BETA STRUCTURE, FOLD TYPICAL            
*KEYWDS   2 FOR PAN DOMAINS, TOXIN                                               
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    W.GRONWALD, J.BOMKE, T.MAURER, B.WISOTZKI, F.HUBER,                   
*AUTHOR   2 F.SCHUMANN, W.KREMER, M.FRECH, H.R.KALBITZER                         
*REVDAT   1   21-OCT-08 2K13    0                                                


assign   (resid   28   and   name   C)   (resid   29   and   name   N)            
   (resid   29   and   name   CA)   (resid   29   and   name   C)   1   -57.0   3.0   2
                                            
assign   (resid   29   and   name   N)   (resid   29   and   name   CA)            
   (resid   29   and   name   C)   (resid   30   and   name   N)   1   -47.0   3.0   2

assign   (resid   29   and   name   C)   (resid   30   and   name   N)            
   (resid   30   and   name   CA)   (resid   30   and   name   C)   1   -57.0   3.0   2
                                            
assign   (resid   30   and   name   N)   (resid   30   and   name   CA)            
   (resid   30   and   name   C)   (resid   31   and   name   N)   1   -47.0   3.0   2

assign   (resid   30   and   name   C)   (resid   31   and   name   N)            
   (resid   30   and   name   CA)   (resid   30   and   name   C)   1   -57.0   3.0   2
                                            
assign   (resid   31   and   name   N)   (resid   31   and   name   CA)            
   (resid   31   and   name   C)   (resid   32   and   name   N)   1   -47.0   3.0   2

assign   (resid   31   and   name   C)   (resid   32   and   name   N)            
   (resid   32   and   name   CA)   (resid   32   and   name   C)   1   -57.0   3.0   2
                                            
assign   (resid   32   and   name   N)   (resid   32   and   name   CA)            
   (resid   32   and   name   C)   (resid   33   and   name   N)   1   -47.0   3.0   2

assign   (resid   32   and   name   C)   (resid   33   and   name   N)            
   (resid   33   and   name   CA)   (resid   33   and   name   C)   1   -57.0   3.0   2
                                            
assign   (resid   33   and   name   N)   (resid   33   and   name   CA)            
   (resid   33   and   name   C)   (resid   34   and   name   N)   1   -47.0   3.0   2

assign   (resid   33   and   name   C)   (resid   34   and   name   N)            
   (resid   34   and   name   CA)   (resid   34   and   name   C)   1   -57.0   3.0   2
                                            
assign   (resid   34   and   name   N)   (resid   34   and   name   CA)            
   (resid   34   and   name   C)   (resid   35   and   name   N)   1   -47.0   3.0   2

assign   (resid   34   and   name   C)   (resid   35   and   name   N)            
   (resid   35   and   name   CA)   (resid   35   and   name   C)   1   -57.0   3.0   2
                                            
assign   (resid   35   and   name   N)   (resid   35   and   name   CA)            
   (resid   35   and   name   C)   (resid   36   and   name   N)   1   -47.0   3.0   2

assign   (resid   35   and   name   C)   (resid   36   and   name   N)            
   (resid   36   and   name   CA)   (resid   36   and   name   C)   1   -57.0   3.0   2
                                            
assign   (resid   36   and   name   N)   (resid   36   and   name   CA)            
   (resid   36   and   name   C)   (resid   37   and   name   N)   1   -47.0   3.0   2

assign   (resid   36   and   name   C)   (resid   37   and   name   N)            
   (resid   37   and   name   CA)   (resid   37   and   name   C)   1   -57.0   3.0   2
                                            
assign   (resid   37   and   name   N)   (resid   37   and   name   CA)            
   (resid   37   and   name   C)   (resid   38   and   name   N)   1   -47.0   3.0   2

assign   (resid   37   and   name   C)   (resid   38   and   name   N)            
   (resid   38   and   name   CA)   (resid   38   and   name   C)   1   -57.0   3.0   2
                                            
assign   (resid   38   and   name   N)   (resid   38   and   name   CA)            
   (resid   38   and   name   C)   (resid   39   and   name   N)   1   -47.0   3.0   2

assign   (resid   38   and   name   C)   (resid   39   and   name   N)            
   (resid   39   and   name   CA)   (resid   39   and   name   C)   1   -57.0   3.0   2
                                            
assign   (resid   39   and   name   N)   (resid   39   and   name   CA)            
   (resid   39   and   name   C)   (resid   40   and   name   N)   1   -47.0   3.0   2

assign   (resid   39   and   name   C)   (resid   40   and   name   N)            
   (resid   40   and   name   CA)   (resid   40   and   name   C)   1   -57.0   3.0   2
                                            
assign   (resid   40   and   name   N)   (resid   40   and   name   CA)            
   (resid   40   and   name   C)   (resid   41   and   name   N)   1   -47.0   3.0   2
assign   (resid   6   and   name   C)   (resid   7   and   name   N)            
   (resid   7   and   name   CA)   (resid   7   and   name   C)   1   -125.000   29.000   2
                                          
assign   (resid   7   and   name   N)   (resid   7   and   name   CA)            
   (resid   7   and   name   C)   (resid   8   and   name   N)   1   147.000   14.000  2


assign   (resid   7   and   name   C)   (resid   8   and   name   N)            
   (resid   8   and   name   CA)   (resid   8   and   name   C)   1   -113.000   8.000   2
                                          
assign   (resid   8   and   name   N)   (resid   8   and   name   CA)            
   (resid   8   and   name   C)   (resid   9   and   name   N)   1   126.000   7.000  2


assign   (resid   8   and   name   C)   (resid   9   and   name   N)            
   (resid   9   and   name   CA)   (resid   9   and   name   C)   1   -88.000   22.000   2
                                          
assign   (resid   9   and   name   N)   (resid   9   and   name   CA)            
   (resid   9   and   name   C)   (resid   10   and   name   N)   1   134.000   7.000  2


assign   (resid   10   and   name   C)   (resid   11   and   name   N)            
   (resid   11   and   name   CA)   (resid   11   and   name   C)   1   -149.000   29.000   2
                                          
assign   (resid   11   and   name   N)   (resid   11   and   name   CA)            
   (resid   11   and   name   C)   (resid   12   and   name   N)   1   147.000   14.000  2


assign   (resid   11   and   name   C)   (resid   12   and   name   N)            
   (resid   12   and   name   CA)   (resid   12   and   name   C)   1   -104.000   19.000   2
                                          
assign   (resid   12   and   name   N)   (resid   12   and   name   CA)            
   (resid   12   and   name   C)   (resid   13   and   name   N)   1   138.000   13.000  2


assign   (resid   12   and   name   C)   (resid   13   and   name   N)            
   (resid   13   and   name   CA)   (resid   13   and   name   C)   1   -141.000   9.000   2
                                          
assign   (resid   13   and   name   N)   (resid   13   and   name   CA)            
   (resid   13   and   name   C)   (resid   14   and   name   N)   1   155.000   8.000  2


assign   (resid   13   and   name   C)   (resid   14   and   name   N)            
   (resid   14   and   name   CA)   (resid   14   and   name   C)   1   -132.000   29.000   2
                                          
assign   (resid   14   and   name   N)   (resid   14   and   name   CA)            
   (resid   14   and   name   C)   (resid   15   and   name   N)   1   154.000   16.000  2


assign   (resid   18   and   name   C)   (resid   19   and   name   N)            
   (resid   19   and   name   CA)   (resid   19   and   name   C)   1   -67.000   11.000   2
                                          
assign   (resid   19   and   name   N)   (resid   19   and   name   CA)            
   (resid   19   and   name   C)   (resid   20   and   name   N)   1   -34.000   13.000  2


assign   (resid   19   and   name   C)   (resid   20   and   name   N)            
   (resid   20   and   name   CA)   (resid   20   and   name   C)   1   -76.000   16.000   2
                                          
assign   (resid   20   and   name   N)   (resid   20   and   name   CA)            
   (resid   20   and   name   C)   (resid   21   and   name   N)   1   -24.000   21.000  2


assign   (resid   21   and   name   C)   (resid   22   and   name   N)            
   (resid   22   and   name   CA)   (resid   22   and   name   C)   1   -118.000   21.000   2
                                          
assign   (resid   22   and   name   N)   (resid   22   and   name   CA)            
   (resid   22   and   name   C)   (resid   23   and   name   N)   1   141.000   14.000  2


assign   (resid   22   and   name   C)   (resid   23   and   name   N)            
   (resid   23   and   name   CA)   (resid   23   and   name   C)   1   -127.000   26.000   2
                                          
assign   (resid   23   and   name   N)   (resid   23   and   name   CA)            
   (resid   23   and   name   C)   (resid   24   and   name   N)   1   151.000   13.000  2


assign   (resid   23   and   name   C)   (resid   24   and   name   N)            
   (resid   24   and   name   CA)   (resid   24   and   name   C)   1   -129.000   14.000   2
                                          
assign   (resid   24   and   name   N)   (resid   24   and   name   CA)            
   (resid   24   and   name   C)   (resid   25   and   name   N)   1   138.000   18.000  2


assign   (resid   24   and   name   C)   (resid   25   and   name   N)            
   (resid   25   and   name   CA)   (resid   25   and   name   C)   1   -123.000   28.000   2
                                          
assign   (resid   25   and   name   N)   (resid   25   and   name   CA)            
   (resid   25   and   name   C)   (resid   26   and   name   N)   1   150.000   17.000  2


assign   (resid   25   and   name   C)   (resid   26   and   name   N)            
   (resid   26   and   name   CA)   (resid   26   and   name   C)   1   -93.000   16.000   2
                                          
assign   (resid   26   and   name   N)   (resid   26   and   name   CA)            
   (resid   26   and   name   C)   (resid   27   and   name   N)   1   129.000   24.000  2


assign   (resid   26   and   name   C)   (resid   27   and   name   N)            
   (resid   27   and   name   CA)   (resid   27   and   name   C)   1   -99.000   28.000   2
                                          
assign   (resid   27   and   name   N)   (resid   27   and   name   CA)            
   (resid   27   and   name   C)   (resid   28   and   name   N)   1   117.000   24.000  2


assign   (resid   27   and   name   C)   (resid   28   and   name   N)            
   (resid   28   and   name   CA)   (resid   28   and   name   C)   1   -64.000   10.000   2
                                          
assign   (resid   28   and   name   N)   (resid   28   and   name   CA)            
   (resid   28   and   name   C)   (resid   29   and   name   N)   1   -34.000   13.000  2


assign   (resid   28   and   name   C)   (resid   29   and   name   N)            
   (resid   29   and   name   CA)   (resid   29   and   name   C)   1   -62.000   4.000   2
                                          
assign   (resid   29   and   name   N)   (resid   29   and   name   CA)            
   (resid   29   and   name   C)   (resid   30   and   name   N)   1   -42.000   7.000  2


assign   (resid   29   and   name   C)   (resid   30   and   name   N)            
   (resid   30   and   name   CA)   (resid   30   and   name   C)   1   -72.000   20.000   2
                                          
assign   (resid   30   and   name   N)   (resid   30   and   name   CA)            
   (resid   30   and   name   C)   (resid   31   and   name   N)   1   -33.000   24.000  2


assign   (resid   30   and   name   C)   (resid   31   and   name   N)            
   (resid   31   and   name   CA)   (resid   31   and   name   C)   1   -64.000   6.000   2
                                          
assign   (resid   31   and   name   N)   (resid   31   and   name   CA)            
   (resid   31   and   name   C)   (resid   32   and   name   N)   1   -42.000   7.000  2


assign   (resid   31   and   name   C)   (resid   32   and   name   N)            
   (resid   32   and   name   CA)   (resid   32   and   name   C)   1   -63.000   5.000   2
                                          
assign   (resid   32   and   name   N)   (resid   32   and   name   CA)            
   (resid   32   and   name   C)   (resid   33   and   name   N)   1   -39.000   5.000  2


assign   (resid   32   and   name   C)   (resid   33   and   name   N)            
   (resid   33   and   name   CA)   (resid   33   and   name   C)   1   -62.000   6.000   2
                                          
assign   (resid   33   and   name   N)   (resid   33   and   name   CA)            
   (resid   33   and   name   C)   (resid   34   and   name   N)   1   -42.000   5.000  2


assign   (resid   33   and   name   C)   (resid   34   and   name   N)            
   (resid   34   and   name   CA)   (resid   34   and   name   C)   1   -65.000   11.000   2
                                          
assign   (resid   34   and   name   N)   (resid   34   and   name   CA)            
   (resid   34   and   name   C)   (resid   35   and   name   N)   1   -44.000   8.000  2


assign   (resid   35   and   name   C)   (resid   36   and   name   N)            
   (resid   36   and   name   CA)   (resid   36   and   name   C)   1   -83.000   12.000   2
                                          
assign   (resid   36   and   name   N)   (resid   36   and   name   CA)            
   (resid   36   and   name   C)   (resid   37   and   name   N)   1   -16.000   14.000  2


assign   (resid   37   and   name   C)   (resid   38   and   name   N)            
   (resid   38   and   name   CA)   (resid   38   and   name   C)   1   -93.000   15.000   2
                                          
assign   (resid   38   and   name   N)   (resid   38   and   name   CA)            
   (resid   38   and   name   C)   (resid   39   and   name   N)   1   116.000   21.000  2


assign   (resid   39   and   name   C)   (resid   40   and   name   N)            
   (resid   40   and   name   CA)   (resid   40   and   name   C)   1   -86.000   18.000   2
                                          
assign   (resid   40   and   name   N)   (resid   40   and   name   CA)            
   (resid   40   and   name   C)   (resid   41   and   name   N)   1   -3.000   20.000  2


assign   (resid   42   and   name   C)   (resid   43   and   name   N)            
   (resid   43   and   name   CA)   (resid   43   and   name   C)   1   -120.000   17.000   2
                                          
assign   (resid   43   and   name   N)   (resid   43   and   name   CA)            
   (resid   43   and   name   C)   (resid   44   and   name   N)   1   138.000   11.000  2


assign   (resid   43   and   name   C)   (resid   44   and   name   N)            
   (resid   44   and   name   CA)   (resid   44   and   name   C)   1   -125.000   11.000   2
                                          
assign   (resid   44   and   name   N)   (resid   44   and   name   CA)            
   (resid   44   and   name   C)   (resid   45   and   name   N)   1   133.000   13.000  2


assign   (resid   44   and   name   C)   (resid   45   and   name   N)            
   (resid   45   and   name   CA)   (resid   45   and   name   C)   1   -127.000   16.000   2
                                          
assign   (resid   45   and   name   N)   (resid   45   and   name   CA)            
   (resid   45   and   name   C)   (resid   46   and   name   N)   1   145.000   12.000  2


assign   (resid   45   and   name   C)   (resid   46   and   name   N)            
   (resid   46   and   name   CA)   (resid   46   and   name   C)   1   -135.000   17.000   2
                                          
assign   (resid   46   and   name   N)   (resid   46   and   name   CA)            
   (resid   46   and   name   C)   (resid   47   and   name   N)   1   139.000   17.000  2


assign   (resid   48   and   name   C)   (resid   49   and   name   N)            
   (resid   49   and   name   CA)   (resid   49   and   name   C)   1   -68.000   11.000   2
                                          
assign   (resid   49   and   name   N)   (resid   49   and   name   CA)            
   (resid   49   and   name   C)   (resid   50   and   name   N)   1   -35.000   10.000  2


assign   (resid   49   and   name   C)   (resid   50   and   name   N)            
   (resid   50   and   name   CA)   (resid   50   and   name   C)   1   -85.000   18.000   2
                                          
assign   (resid   50   and   name   N)   (resid   50   and   name   CA)            
   (resid   50   and   name   C)   (resid   51   and   name   N)   1   -2.000   21.000  2


assign   (resid   53   and   name   C)   (resid   54   and   name   N)            
   (resid   54   and   name   CA)   (resid   54   and   name   C)   1   -132.000   10.000   2
                                          
assign   (resid   54   and   name   N)   (resid   54   and   name   CA)            
   (resid   54   and   name   C)   (resid   55   and   name   N)   1   145.000   15.000  2


assign   (resid   54   and   name   C)   (resid   55   and   name   N)            
   (resid   55   and   name   CA)   (resid   55   and   name   C)   1   -125.000   13.000   2
                                          
assign   (resid   55   and   name   N)   (resid   55   and   name   CA)            
   (resid   55   and   name   C)   (resid   56   and   name   N)   1   142.000   15.000  2


assign   (resid   60   and   name   C)   (resid   61   and   name   N)            
   (resid   61   and   name   CA)   (resid   61   and   name   C)   1   -63.000   6.000   2
                                          
assign   (resid   61   and   name   N)   (resid   61   and   name   CA)            
   (resid   61   and   name   C)   (resid   62   and   name   N)   1   -36.000   15.000  2


assign   (resid   61   and   name   C)   (resid   62   and   name   N)            
   (resid   62   and   name   CA)   (resid   62   and   name   C)   1   -83.000   20.000   2
                                          
assign   (resid   62   and   name   N)   (resid   62   and   name   CA)            
   (resid   62   and   name   C)   (resid   63   and   name   N)   1   -13.000   16.000  2


assign   (resid   62   and   name   C)   (resid   63   and   name   N)            
   (resid   63   and   name   CA)   (resid   63   and   name   C)   1   -70.000   12.000   2
                                          
assign   (resid   63   and   name   N)   (resid   63   and   name   CA)            
   (resid   63   and   name   C)   (resid   64   and   name   N)   1   134.000   29.000  2


assign   (resid   63   and   name   C)   (resid   64   and   name   N)            
   (resid   64   and   name   CA)   (resid   64   and   name   C)   1   -82.000   13.000   2
                                          
assign   (resid   64   and   name   N)   (resid   64   and   name   CA)            
   (resid   64   and   name   C)   (resid   65   and   name   N)   1   123.000   28.000  2


assign   (resid   64   and   name   C)   (resid   65   and   name   N)            
   (resid   65   and   name   CA)   (resid   65   and   name   C)   1   -61.000   9.000   2
                                          
assign   (resid   65   and   name   N)   (resid   65   and   name   CA)            
   (resid   65   and   name   C)   (resid   66   and   name   N)   1   -32.000   10.000  2


assign   (resid   65   and   name   C)   (resid   66   and   name   N)            
   (resid   66   and   name   CA)   (resid   66   and   name   C)   1   -74.000   15.000   2
                                          
assign   (resid   66   and   name   N)   (resid   66   and   name   CA)            
   (resid   66   and   name   C)   (resid   67   and   name   N)   1   -23.000   20.000  2


assign   (resid   67   and   name   C)   (resid   68   and   name   N)            
   (resid   68   and   name   CA)   (resid   68   and   name   C)   1   -105.000   25.000   2
                                          
assign   (resid   68   and   name   N)   (resid   68   and   name   CA)            
   (resid   68   and   name   C)   (resid   69   and   name   N)   1   136.000   10.000  2


assign   (resid   68   and   name   C)   (resid   69   and   name   N)            
   (resid   69   and   name   CA)   (resid   69   and   name   C)   1   -133.000   11.000   2
                                          
assign   (resid   69   and   name   N)   (resid   69   and   name   CA)            
   (resid   69   and   name   C)   (resid   70   and   name   N)   1   150.000   14.000  2


assign   (resid   69   and   name   C)   (resid   70   and   name   N)            
   (resid   70   and   name   CA)   (resid   70   and   name   C)   1   -81.000   18.000   2
                                          
assign   (resid   70   and   name   N)   (resid   70   and   name   CA)            
   (resid   70   and   name   C)   (resid   71   and   name   N)   1   126.000   9.000  2


assign   (resid   73   and   name   C)   (resid   74   and   name   N)            
   (resid   74   and   name   CA)   (resid   74   and   name   C)   1   -126.000   22.000   2
                                          
assign   (resid   74   and   name   N)   (resid   74   and   name   CA)            
   (resid   74   and   name   C)   (resid   75   and   name   N)   1   153.000   17.000  2


assign   (resid   74   and   name   C)   (resid   75   and   name   N)            
   (resid   75   and   name   CA)   (resid   75   and   name   C)   1   -133.000   12.000   2
                                          
assign   (resid   75   and   name   N)   (resid   75   and   name   CA)            
   (resid   75   and   name   C)   (resid   76   and   name   N)   1   146.000   11.000  2


assign   (resid   75   and   name   C)   (resid   76   and   name   N)            
   (resid   76   and   name   CA)   (resid   76   and   name   C)   1   -100.000   22.000   2
                                          
assign   (resid   76   and   name   N)   (resid   76   and   name   CA)            
   (resid   76   and   name   C)   (resid   77   and   name   N)   1   138.000   14.000  2


assign   (resid   76   and   name   C)   (resid   77   and   name   N)            
   (resid   77   and   name   CA)   (resid   77   and   name   C)   1   -121.000   22.000   2
                                          
assign   (resid   77   and   name   N)   (resid   77   and   name   CA)            
   (resid   77   and   name   C)   (resid   78   and   name   N)   1   136.000   13.000  2


assign   (resid   77   and   name   C)   (resid   78   and   name   N)            
   (resid   78   and   name   CA)   (resid   78   and   name   C)   1   -114.000   23.000   2
                                          
assign   (resid   78   and   name   N)   (resid   78   and   name   CA)            
   (resid   78   and   name   C)   (resid   79   and   name   N)   1   132.000   15.000  2


assign   (resid   79   and   name   C)   (resid   80   and   name   N)            
   (resid   80   and   name   CA)   (resid   80   and   name   C)   1   -109.000   16.000   2
                                          
assign   (resid   80   and   name   N)   (resid   80   and   name   CA)            
   (resid   80   and   name   C)   (resid   81   and   name   N)   1   132.000   24.000  2
REMARKS  Erste Bestimmung der H-bonds nach H --> D Austausch beim Saratin
REMARKS  nach Umpuffern (2x lyophillisiert) aus 2D-NOESY   Dataset:  sara600-d2onoe/3
REMARKS  1st, 2nd, 3rd value: equilibrium value, - error, + error 
REMARKS  pseudo H-bonds in a-helical regions:  N-H --> O=C  1.6 - 2.3 A ,
REMARKS                                        N   --> O=C  2.5 - 3.2 A. 
REMARKS  pseudo H-bonds in b-pleated regions:  N-H --> O=C  1.6 - 2.3 A ,
REMARKS                                        N   --> O=C  2.5 - 3.2 A. 
REMARKS  
REMARKS  
REMARKS  Empfehlung von M.Nilges:  H-O 1.7 - 2.2;  N-O  2.7 - 3.2

! Faltblatt-Region: 
!                         ---b1-^->            
!                         <---b5---          
!                           ---b3--->      
!                          <---b4---      
!                           ---b2--->      


! b1 

assign (resid   8 and name HN ) (resid  78 and name O  )   1.9  0.3  0.4
assign (resid   8 and name N  ) (resid  78 and name O  )   2.9  0.6  0.3


! b2

assign (resid  23 and name HN ) (resid  55 and name O  )   1.9  0.3  0.4
assign (resid  23 and name N  ) (resid  55 and name O  )   2.9  0.6  0.3



! b3

assign (resid  43 and name HN ) (resid  56 and name O  )   1.9  0.3  1.4
assign (resid  43 and name N  ) (resid  56 and name O  )   2.9  0.6  1.3

assign (resid  44 and name HN ) (resid  77 and name O  )   1.9  0.3  0.4
assign (resid  44 and name N  ) (resid  77 and name O  )   2.9  0.6  0.3

assign (resid  45 and name HN ) (resid  54 and name O  )   1.9  0.3  0.4
assign (resid  45 and name N  ) (resid  54 and name O  )   2.9  0.6  0.3

assign (resid  46 and name HN ) (resid  75 and name O  )   1.9  0.3  0.4
assign (resid  46 and name N  ) (resid  75 and name O  )   2.9  0.6  0.3

assign (resid  47 and name HN ) (resid  52 and name O  )   1.9  0.3  0.4
assign (resid  47 and name N  ) (resid  52 and name O  )   2.9  0.6  0.3


! b4

assign (resid  52 and name HN ) (resid  47 and name O  )   1.9  0.3  0.4
assign (resid  52 and name N  ) (resid  47 and name O  )   2.9  0.6  0.3

assign (resid  54 and name HN ) (resid  45 and name O  )   1.9  0.3  0.4
assign (resid  54 and name N  ) (resid  45 and name O  )   2.9  0.6  0.3

assign (resid  55 and name HN ) (resid  23 and name O  )   1.9  0.3  0.4
assign (resid  55 and name N  ) (resid  23 and name O  )   2.9  0.6  0.3

assign (resid  56 and name HN ) (resid  43 and name O  )   1.9  0.3  0.4
assign (resid  56 and name N  ) (resid  43 and name O  )   2.9  0.6  0.3

assign (resid  57 and name HN ) (resid  21 and name O  )   1.9  0.3  0.4
assign (resid  57 and name N  ) (resid  21 and name O  )   2.9  0.6  0.3


! b5

assign (resid  75 and name HN ) (resid  46 and name O  )   1.9  0.3  0.4
assign (resid  75 and name N  ) (resid  46 and name O  )   2.9  0.6  0.3

assign (resid  77 and name HN ) (resid  44 and name O  )   1.9  0.3  0.4
assign (resid  77 and name N  ) (resid  44 and name O  )   2.9  0.6  0.3

assign (resid  78 and name HN ) (resid   8 and name O  )   1.9  0.3  0.4
assign (resid  78 and name N  ) (resid   8 and name O  )   2.9  0.6  0.3

assign (resid  79 and name HN ) (resid  42 and name O  )   1.9  0.3  0.4
assign (resid  79 and name N  ) (resid  42 and name O  )   2.9  0.6  0.3

!           
assign (resid 5  and name HA)(resid 6  and name HN) 2.2  0.4  0.4  
assign (resid 6  and name HB*)(resid 6  and name HN) 2.8  1.0  0.6  
assign (resid 6  and name HA)(resid 6  and name HN) 3.2  1.4  0.6  
assign (resid 6  and name HB*)(resid 7  and name HN) 5.0  3.0  1.0  
assign (resid 6  and name HA)(resid 7  and name HN) 2.5  0.7  0.5  
assign (resid 7  and name HB*)(resid 7  and name HE3) 2.5  0.7  0.5  
assign (resid 7  and name HD1)(resid 7  and name HN) 2.4  0.6  0.5  
assign (resid 7  and name HB*)(resid 7  and name HN) 5.0  3.0  1.0  
assign (resid 7  and name HB*)(resid 7  and name HA) 2.4  0.6  0.5  
assign (resid 7  and name HB*)(resid 7  and name HE3) 2.9  1.1  0.6  
assign (resid 7  and name HA)(resid 7  and name HN) 2.9  1.1  0.6  
assign (resid 7  and name HB*)(resid 7  and name HA) 2.6  0.8  0.5  
assign (resid 7  and name HB*)(resid 8  and name HN) 2.9  1.1  0.6  
assign (resid 7  and name HA)(resid 8  and name HN) 2.2  0.4  0.4  
assign (resid 7  and name HB*)(resid 8  and name HN) 3.0  1.2  0.6  
assign (resid 7  and name HA)(resid 80  and name HN) 2.8  1.0  1.6  
assign (resid 8  and name HB)(resid 8  and name HN) 2.8  1.0  0.6  
assign (resid 8  and name HG#)(resid 8  and name HN) 3.2  1.4  0.6  
assign (resid 9  and name HB*)(resid 9  and name HD#) 3.2  1.4  0.6  
assign (resid 9  and name HE#)(resid 9  and name HD#) 2.6  0.8  0.5  
assign (resid 9  and name HB*)(resid 9  and name HN) 3.4  1.6  0.7  
assign (resid 9  and name HA)(resid 9  and name HN) 3.7  1.9  0.7  
assign (resid 9  and name HB*)(resid 9  and name HN) 5.0  3.0  1.0  
assign (resid 9  and name HD#)(resid 10  and name HN) 3.6  1.8  0.7  
assign (resid 9  and name HA)(resid 10  and name HN) 2.4  0.6  0.5  
assign (resid 9  and name HA)(resid 77  and name HA) 2.9  1.1  0.6  
assign (resid 9  and name HD#)(resid 78  and name HN) 4.0  2.2  0.8  
assign (resid 9  and name HA)(resid 78  and name HN) 3.4  1.6  0.7  
assign (resid 10  and name HE#)(resid 10  and name HD#) 2.6  0.8  0.5  
assign (resid 10  and name HA)(resid 10  and name HN) 2.9  1.1  0.6  
assign (resid 10  and name HB*)(resid 10  and name HD#) 2.7  0.9  0.5  
assign (resid 10  and name HB*)(resid 10  and name HE#) 4.1  2.3  0.8  
assign (resid 10  and name HB*)(resid 10  and name HD#) 2.8  1.0  0.6  
assign (resid 10  and name HA)(resid 11  and name HN) 3.5  1.7  0.7  
assign (resid 10  and name HB*)(resid 11  and name HN) 3.2  1.4  0.6  
assign (resid 11  and name HB#)(resid 10  and name HD#) 3.0  1.2  0.6  
assign (resid 11  and name HN)(resid 10  and name HN) 2.4  0.6  0.5  
assign (resid 11  and name HB#)(resid 10  and name HE#) 3.6  1.8  0.7  
assign (resid 11  and name HB#)(resid 11  and name HA) 2.4  0.6  0.5  
assign (resid 11  and name HA)(resid 11  and name HN) 3.1  1.3  0.6  
assign (resid 11  and name HB#)(resid 11  and name HN) 3.1  1.3  0.6  
assign (resid 11  and name HA)(resid 12  and name HN) 2.4  0.6  0.5  
assign (resid 11  and name HN)(resid 76  and name HN) 3.1  1.3  0.6  
assign (resid 12  and name HB*)(resid 12  and name HD21) 3.3  1.5  1.7  
assign (resid 12  and name HD21)(resid 12  and name HD22) 2.0  0.2  0.4  
assign (resid 12  and name HB*)(resid 12  and name HD22) 3.0  1.2  1.6    
assign (resid 12  and name HA)(resid 12  and name HD22) 2.7  0.9  1.5    
assign (resid 12  and name HB*)(resid 12  and name HD21) 3.0  1.2  1.6  
assign (resid 12  and name HA)(resid 13  and name HN) 2.3  0.5  0.5  
assign (resid 12  and name HA)(resid 76  and name HN) 3.1  1.3  0.6  
assign (resid 13  and name HB*)(resid 13  and name HA) 2.8  1.0  0.6  
assign (resid 13  and name HA)(resid 13  and name HN) 2.9  1.1  0.6  
assign (resid 13  and name HB*)(resid 13  and name HA) 2.6  0.8  0.5  
assign (resid 13  and name HA)(resid 14  and name HN) 2.4  0.6  0.5  
assign (resid 13  and name HA)(resid 71  and name HN) 2.4  0.6  0.5  
assign (resid 14  and name HA)(resid 14  and name HN) 5.0  3.0  1.0  
assign (resid 15  and name HB*)(resid 15  and name HD#) 2.7  0.9  0.5  
assign (resid 15  and name HA)(resid 15  and name HD#) 3.3  1.5  0.7  
assign (resid 15  and name HD#)(resid 15  and name HE#) 2.8  1.0  0.6  
assign (resid 15  and name HB*)(resid 15  and name HA) 5.0  3.0  1.0  
assign (resid 15  and name HD#)(resid 16  and name HN) 3.8  2.0  0.8  
assign (resid 16  and name HA)(resid 17  and name HN) 3.1  1.3  0.6  
assign (resid 17  and name HN)(resid 16  and name HN) 3.0  1.2  0.6  
assign (resid 17  and name HA)(resid 17  and name HN) 2.9  1.1  0.6  
assign (resid 17  and name HB*)(resid 17  and name HN) 2.8  1.0  0.6  
assign (resid 17  and name HN)(resid 18  and name HN) 3.5  1.7  0.7  
assign (resid 17  and name HA)(resid 18  and name HN) 2.5  0.7  0.5  
assign (resid 18  and name HZ)(resid 18  and name HE#) 2.4  0.6  0.5  
assign (resid 18  and name HA)(resid 18  and name HN) 5.0  3.0  1.0  
assign (resid 18  and name HB*)(resid 18  and name HD#) 2.8  1.0  0.6  
assign (resid 18  and name HB*)(resid 18  and name HN) 2.9  1.1  0.6  
assign (resid 18  and name HA)(resid 18  and name HD#) 2.5  0.7  0.5  
assign (resid 18  and name HB*)(resid 18  and name HD#) 2.7  0.9  0.5  
assign (resid 18  and name HD#)(resid 18  and name HN) 3.4  1.6  0.7  
assign (resid 18  and name HB*)(resid 18  and name HN) 2.8  1.0  0.6  
assign (resid 18  and name HN)(resid 19  and name HN) 5.0  3.0  1.0  
assign (resid 18  and name HE#)(resid 45  and name HD#) 3.2  1.4  0.6  
assign (resid 18  and name HZ)(resid 45  and name HD#) 3.7  1.9  0.7  
assign (resid 21  and name HA)(resid 22  and name HN) 2.5  0.7  0.5  
assign (resid 22  and name HB*)(resid 22  and name HA) 2.7  0.9  0.5  
assign (resid 22  and name HB*)(resid 22  and name HD#) 2.8  1.0  0.6  
assign (resid 22  and name HB*)(resid 22  and name HN) 2.8  1.0  0.6  
assign (resid 22  and name HA)(resid 22  and name HD#) 3.9  2.1  0.8  
assign (resid 22  and name HA)(resid 22  and name HN) 2.9  1.1  0.6  
assign (resid 22  and name HB*)(resid 22  and name HD#) 2.9  1.1  0.6  
assign (resid 22  and name HB*)(resid 22  and name HA) 2.9  1.1  0.6  
assign (resid 22  and name HB*)(resid 23  and name HN) 2.6  0.8  0.5  
assign (resid 22  and name HA)(resid 23  and name HN) 2.4  0.6  0.5  
assign (resid 22  and name HZ)(resid 45  and name HD#) 3.1  1.3  0.6  
assign (resid 22  and name HE#)(resid 45  and name HD#) 4.3  2.5  0.9  
assign (resid 22  and name HA)(resid 57  and name HN) 2.6  0.8  0.5  
assign (resid 23  and name HA)(resid 24  and name HN) 2.2  0.4  0.4  
assign (resid 23  and name HN)(resid 55  and name HN) 2.7  0.9  0.5  
assign (resid 24  and name HA)(resid 24  and name HN) 2.8  1.0  0.6  
assign (resid 24  and name HD#)(resid 25  and name HN) 5.0  3.0  1.0  
assign (resid 24  and name HA)(resid 25  and name HN) 2.2  0.4  0.4  
assign (resid 24  and name HA)(resid 53  and name HN) 3.5  1.7  0.7  
assign (resid 24  and name HA)(resid 54  and name HA) 2.4  0.6  0.5  
assign (resid 24  and name HA)(resid 55  and name HN) 3.1  1.3  0.6  
assign (resid 25  and name HA)(resid 25  and name HN) 3.2  1.4  0.6  
assign (resid 25  and name HB#)(resid 25  and name HN) 3.3  1.5  0.7  
assign (resid 25  and name HN)(resid 53  and name HN) 5.0  3.0  1.0  
assign (resid 26  and name HA)(resid 27  and name HN) 3.5  1.7  0.7  
assign (resid 27  and name HN)(resid 26  and name HN) 3.5  1.7  0.7  
assign (resid 27  and name HB*)(resid 27  and name HN) 2.6  0.8  0.5  
assign (resid 27  and name HA)(resid 27  and name HN) 5.0  3.0  1.0  
assign (resid 27  and name HB*)(resid 27  and name HN) 2.5  0.7  0.5  
assign (resid 27  and name HA)(resid 28  and name HN) 3.1  1.3  0.6  
assign (resid 27  and name HA)(resid 30  and name HN) 3.1  1.3  0.6  
assign (resid 28  and name HD*#)(resid 28  and name HA) 2.4  0.6  0.5  
assign (resid 28  and name HA)(resid 28  and name HN) 3.2  1.4  0.6  
assign (resid 28  and name HB*)(resid 28  and name HN) 2.9  1.1  0.6  
assign (resid 28  and name HB*)(resid 29  and name HN) 2.9  1.1  0.6  
assign (resid 28  and name HA)(resid 31  and name HN) 2.7  0.9  1.5    
assign (resid 29  and name HN)(resid 28  and name HN) 3.2  1.4  0.6  
assign (resid 29  and name HA)(resid 29  and name HN) 2.3  0.5  0.5  
assign (resid 29  and name HB*)(resid 29  and name HN) 2.6  0.8  0.5  
assign (resid 29  and name HB*)(resid 29  and name HA) 2.4  0.6  0.5  
assign (resid 29  and name HB*)(resid 29  and name HN) 2.2  0.4  0.4  
assign (resid 29  and name HB*)(resid 30  and name HN) 2.7  0.9  0.5  
assign (resid 30  and name HN)(resid 29  and name HN) 2.5  0.7  0.5  
assign (resid 30  and name HB*)(resid 30  and name HA) 5.0  3.0  1.0  
assign (resid 30  and name HG#)(resid 30  and name HN) 3.2  1.4  0.6  
assign (resid 30  and name HB*)(resid 30  and name HA) 2.6  0.8  0.5  
assign (resid 30  and name HB*)(resid 30  and name HN) 2.4  0.6  0.5  
assign (resid 30  and name HA)(resid 30  and name HN) 2.5  0.7  0.5  
assign (resid 30  and name HB*)(resid 30  and name HA) 2.3  0.5  0.5  
assign (resid 30  and name HA)(resid 31  and name HN) 2.6  0.8  1.5    
assign (resid 30  and name HB*)(resid 31  and name HN) 2.9  1.1  0.6  
assign (resid 30  and name HN)(resid 31  and name HN) 2.5  0.7  0.5  
assign (resid 30  and name HA)(resid 33  and name HN) 5.0  3.0  1.0  
assign (resid 31  and name HB*)(resid 28  and name HA) 2.6  0.8  0.5  
assign (resid 31  and name HA)(resid 31  and name HN) 2.6  0.8  0.5  
assign (resid 31  and name HB*)(resid 31  and name HN) 2.5  0.7  0.5  
assign (resid 31  and name HB*)(resid 31  and name HA) 2.2  0.4  0.4  
assign (resid 31  and name HB*)(resid 31  and name HN) 2.4  0.6  0.5  
assign (resid 31  and name HA)(resid 32  and name HN) 3.0  1.2  0.6  
assign (resid 31  and name HB*)(resid 32  and name HN) 2.7  0.9  0.5  
assign (resid 31  and name HA)(resid 34  and name HN) 2.6  0.8  0.5  
assign (resid 32  and name HB*)(resid 29  and name HA) 3.8  2.0  0.8  
assign (resid 32  and name HN)(resid 31  and name HN) 2.4  0.6  0.5  
assign (resid 32  and name HB*)(resid 32  and name HN) 2.9  1.1  0.6  
assign (resid 32  and name HD*)(resid 32  and name HN) 2.5  0.7  0.5  
assign (resid 32  and name HB*)(resid 32  and name HN) 2.5  0.7  0.5  
assign (resid 32  and name HB*)(resid 32  and name HA) 2.9  1.1  0.6  
assign (resid 32  and name HB*)(resid 32  and name HD*) 2.4  0.6  0.5  
assign (resid 32  and name HB*)(resid 32  and name HA) 2.6  0.8  0.5  
assign (resid 32  and name HD*)(resid 32  and name HN) 2.7  0.9  0.5  
assign (resid 32  and name HN)(resid 33  and name HN) 2.4  0.6  0.5  
assign (resid 32  and name HB*)(resid 33  and name HN) 3.4  1.6  0.7  
assign (resid 33  and name HB*)(resid 30  and name HA) 3.3  1.5  0.7  
assign (resid 33  and name HA)(resid 33  and name HN) 2.5  0.7  0.5  
assign (resid 33  and name HB#)(resid 33  and name HN) 2.4  0.6  0.5  
assign (resid 33  and name HB*)(resid 33  and name HA) 2.2  0.4  0.4  
assign (resid 33  and name HB*)(resid 33  and name HN) 2.4  0.6  0.5  
assign (resid 33  and name HB*)(resid 33  and name HA) 2.6  0.8  0.5  
assign (resid 33  and name HB#)(resid 34  and name HN) 5.0  3.0  1.0  
assign (resid 33  and name HB*)(resid 34  and name HN) 5.0  3.0  1.0  
assign (resid 33  and name HA)(resid 36  and name HN) 3.2  1.4  0.6  
assign (resid 34  and name HG#)(resid 31  and name HA) 3.6  1.8  0.7  
assign (resid 34  and name HB)(resid 31  and name HA) 5.0  3.0  1.0  
assign (resid 34  and name HB)(resid 34  and name HN) 2.5  0.7  0.5  
assign (resid 34  and name HG#)(resid 34  and name HA) 2.4  0.6  0.5  
assign (resid 34  and name HG#)(resid 34  and name HN) 3.9  2.1  0.8  
assign (resid 34  and name HA)(resid 34  and name HN) 2.6  0.8  0.5  
assign (resid 34  and name HA)(resid 35  and name HN) 3.0  1.2  0.6  
assign (resid 34  and name HN)(resid 35  and name HN) 2.2  0.4  0.4  
assign (resid 34  and name HG#)(resid 35  and name HN) 3.7  1.9  0.7  
assign (resid 34  and name HB)(resid 35  and name HN) 2.6  0.8  0.5  
assign (resid 34  and name HA)(resid 37  and name HN) 3.0  1.2  0.6  
assign (resid 35  and name HB#)(resid 35  and name HN) 2.8  1.0  0.6  
assign (resid 35  and name HA)(resid 35  and name HN) 2.7  0.9  0.5  
assign (resid 35  and name HA)(resid 36  and name HN) 3.0  1.2  0.6  
assign (resid 35  and name HA)(resid 38  and name HN) 2.8  1.0  0.6  
assign (resid 36  and name HB*)(resid 33  and name HA) 3.0  1.2  0.6  
assign (resid 36  and name HN)(resid 35  and name HN) 2.7  0.9  0.5  
assign (resid 36  and name HB*)(resid 36  and name HN) 2.3  0.5  0.5  
assign (resid 36  and name HD#)(resid 36  and name HN) 3.3  1.5  0.7  
assign (resid 36  and name HB*)(resid 36  and name HN) 2.3  0.5  0.5  
assign (resid 36  and name HA)(resid 37  and name HN) 5.0  3.0  1.0  
assign (resid 36  and name HB*)(resid 37  and name HN) 2.7  0.9  0.5  
assign (resid 37  and name HB*)(resid 34  and name HA) 3.1  1.3  0.6  
assign (resid 37  and name HN)(resid 36  and name HN) 2.8  1.0  0.6  
assign (resid 37  and name HA)(resid 37  and name HN) 2.6  0.8  0.5  
assign (resid 37  and name HG#)(resid 37  and name HN) 2.8  1.0  0.6  
assign (resid 37  and name HB*)(resid 37  and name HN) 2.5  0.7  0.5  
assign (resid 37  and name HB*)(resid 38  and name HN) 3.1  1.3  0.6  
assign (resid 37  and name HN)(resid 38  and name HN) 5.0  3.0  1.0  
assign (resid 37  and name HG#)(resid 38  and name HN) 4.1  2.3  0.8  
assign (resid 38  and name HG1)(resid 38  and name HN) 3.2  1.4  0.6  
assign (resid 38  and name HA)(resid 38  and name HN) 2.4  0.6  0.5  
assign (resid 38  and name HB)(resid 38  and name HN) 2.3  0.5  0.5  
assign (resid 38  and name HA)(resid 39  and name HN) 2.8  1.0  0.6  
assign (resid 39  and name HA)(resid 39  and name HN) 3.9  2.1  0.8  
assign (resid 39  and name HB*)(resid 39  and name HN) 2.6  0.8  0.5  
assign (resid 39  and name HA)(resid 40  and name HN) 2.2  0.4  1.4    
assign (resid 39  and name HA)(resid 41  and name HN) 3.3  1.5  0.7  
assign (resid 40  and name HB*)(resid 40  and name HN) 5.0  3.0  1.0  
assign (resid 40  and name HA)(resid 40  and name HN) 2.4  0.6  0.5  
assign (resid 40  and name HA)(resid 40  and name HD#) 2.6  0.8  0.5  
assign (resid 40  and name HB*)(resid 40  and name HD#) 2.7  0.9  0.5  
assign (resid 40  and name HB*)(resid 40  and name HA) 2.4  0.6  0.5  
assign (resid 40  and name HB*)(resid 40  and name HN) 2.5  0.7  0.5  
assign (resid 40  and name HB*)(resid 40  and name HD#) 2.6  0.8  0.5  
assign (resid 40  and name HB*)(resid 41  and name HN) 3.1  1.3  0.6  
assign (resid 40  and name HB*)(resid 59  and name HA) 2.4  0.6  0.5  
assign (resid 40  and name HB*)(resid 59  and name HN) 3.5  1.7  0.7  
assign (resid 40  and name HA)(resid 60  and name HN) 5.0  3.0  1.0  
assign (resid 40  and name HB*)(resid 60  and name HN) 3.1  1.3  0.6  
assign (resid 40  and name HD#)(resid 60  and name HN) 4.2  2.4  0.8  
assign (resid 40  and name HB*)(resid 60  and name HN) 3.6  1.8  0.7  
assign (resid 41  and name HN)(resid 40  and name HN) 2.6  0.8  0.5  
assign (resid 41  and name HB*)(resid 41  and name HN) 2.4  0.6  0.5  
assign (resid 41  and name HA)(resid 41  and name HN) 2.4  0.6  0.5  
assign (resid 42  and name HB*)(resid 42  and name HE#) 3.7  1.9  1.7    
assign (resid 42  and name HA)(resid 42  and name HD#) 3.3  1.5  0.7  
assign (resid 42  and name HB*)(resid 42  and name HD#) 2.6  0.8  0.5  
assign (resid 42  and name HE#)(resid 42  and name HD#) 2.6  0.8  0.5  
assign (resid 42  and name HB*)(resid 42  and name HD#) 2.6  0.8  0.5  
assign (resid 42  and name HB*)(resid 42  and name HE#) 3.6  1.8  1.7   
assign (resid 42  and name HE#)(resid 56  and name HD21) 3.3  1.5  0.7  
assign (resid 42  and name HD#)(resid 56  and name HD22) 3.3  1.5  0.7  
assign (resid 42  and name HE#)(resid 56  and name HD22) 3.7  1.9  0.7  
assign (resid 43  and name HN)(resid 42  and name HN) 2.1  0.3  0.4  
assign (resid 43  and name HA)(resid 44  and name HN) 2.2  0.4  0.4  
assign (resid 43  and name HN)(resid 56  and name HN) 3.2  1.4  0.6  
assign (resid 43  and name HG2#)(resid 77  and name HN) 3.3  1.5  0.7  
assign (resid 43  and name HA)(resid 78  and name HA) 2.7  0.9  0.5  
assign (resid 43  and name HA)(resid 79  and name HN) 5.0  3.0  1.0  
assign (resid 44  and name HB)(resid 44  and name HA) 2.4  0.6  0.5  
assign (resid 44  and name HB)(resid 44  and name HN) 2.3  0.5  0.5  
assign (resid 44  and name HG#)(resid 44  and name HN) 2.8  1.0  0.6  
assign (resid 44  and name HA)(resid 44  and name HN) 3.0  1.2  0.6  
assign (resid 44  and name HG#*)(resid 44  and name HA) 2.4  0.6  0.5  
assign (resid 44  and name HA)(resid 45  and name HN) 2.2  0.4  0.4  
assign (resid 44  and name HA)(resid 55  and name HA) 2.6  0.8  0.5  
assign (resid 44  and name HA)(resid 56  and name HN) 3.5  1.7  0.7  
assign (resid 44  and name HB*#)(resid 77  and name HN) 3.8  2.0  0.8  
assign (resid 45  and name HB*)(resid 45  and name HN) 2.7  0.9  0.5  
assign (resid 45  and name HB*)(resid 45  and name HA) 2.9  1.1  0.6  
assign (resid 45  and name HB*)(resid 45  and name HD#) 2.9  1.1  0.6  
assign (resid 45  and name HB*)(resid 45  and name HN) 3.0  1.2  0.6  
assign (resid 45  and name HB*)(resid 45  and name HA) 2.6  0.8  0.5  
assign (resid 45  and name HB*)(resid 45  and name HD#) 2.9  1.1  0.6  
assign (resid 45  and name HA)(resid 45  and name HD#) 3.1  1.3  0.6  
assign (resid 45  and name HE#)(resid 45  and name HD#) 2.7  0.9  0.5  
assign (resid 45  and name HA)(resid 45  and name HN) 3.1  1.3  0.6  
assign (resid 45  and name HZ)(resid 45  and name HD#) 3.1  1.3  1.6    
assign (resid 45  and name HA)(resid 46  and name HN) 2.3  0.5  0.5  
assign (resid 45  and name HA)(resid 77  and name HN) 3.1  1.3  0.6  
assign (resid 46  and name HA)(resid 53  and name HA) 3.5  1.7  0.7  
assign (resid 46  and name HB*)(resid 75  and name HN) 3.2  1.4  0.6  
assign (resid 47  and name HB*)(resid 47  and name HN) 2.6  0.8  0.5  
assign (resid 47  and name HA)(resid 47  and name HN) 3.1  1.3  0.6  
assign (resid 47  and name HB*)(resid 47  and name HN) 2.5  0.7  0.5  
assign (resid 47  and name HB*)(resid 48  and name HN) 3.4  1.6  0.7  
assign (resid 47  and name HA)(resid 48  and name HN) 2.3  0.5  0.5  
assign (resid 47  and name HA)(resid 49  and name HN) 3.3  1.5  0.7  
assign (resid 47  and name HB*)(resid 49  and name HN) 3.4  1.6  0.7  
assign (resid 47  and name HA)(resid 74  and name HA) 2.7  0.9  0.5  
assign (resid 47  and name HA)(resid 75  and name HN) 3.5  1.7  0.7  
assign (resid 48  and name HA)(resid 48  and name HN) 2.7  0.9  0.5  
assign (resid 48  and name HB)(resid 48  and name HN) 2.8  1.0  0.6  
assign (resid 48  and name HG#)(resid 48  and name HN) 2.7  0.9  0.5  
assign (resid 48  and name HA)(resid 49  and name HN) 2.9  1.1  0.6  
assign (resid 48  and name HG#)(resid 49  and name HN) 4.2  2.4  0.8  
assign (resid 49  and name HN)(resid 48  and name HN) 2.6  0.8  0.5  
assign (resid 49  and name HA)(resid 49  and name HN) 2.5  0.7  0.5  
assign (resid 49  and name HG#)(resid 49  and name HN) 3.0  1.2  0.6  
assign (resid 49  and name HB)(resid 49  and name HN) 2.2  0.4  0.4  
assign (resid 49  and name HG#)(resid 49  and name HN) 2.7  0.9  0.5  
assign (resid 49  and name HA)(resid 50  and name HN) 2.8  1.0  0.6  
assign (resid 49  and name HB)(resid 50  and name HN) 2.5  0.7  0.5  
assign (resid 49  and name HB*#)(resid 50  and name HN) 3.1  1.3  0.6  
assign (resid 49  and name HA)(resid 51  and name HN) 5.0  3.0  1.0  
assign (resid 49  and name HG#)(resid 73  and name HN) 4.0  2.2  0.8  
assign (resid 50  and name HN)(resid 48  and name HN) 3.6  1.8  0.7  
assign (resid 50  and name HN)(resid 49  and name HN) 2.3  0.5  0.5  
assign (resid 50  and name HD21)(resid 50  and name HD22) 2.0  0.2  0.4  
assign (resid 50  and name HB*)(resid 50  and name HN) 2.6  0.8  0.5  
assign (resid 50  and name HN)(resid 50  and name HD22) 3.0  1.2  0.6  
assign (resid 50  and name HA)(resid 50  and name HN) 2.7  0.9  0.5  
assign (resid 50  and name HB*)(resid 51  and name HN) 5.0  3.0  1.0  
assign (resid 50  and name HA)(resid 51  and name HN) 3.0  1.2  0.6  
assign (resid 50  and name HN)(resid 51  and name HN) 2.3  0.5  0.5  
assign (resid 51  and name HN)(resid 49  and name HN) 2.7  0.9  0.5  
assign (resid 51  and name HB*)(resid 51  and name HN) 2.9  1.1  0.6  
assign (resid 51  and name HD#)(resid 51  and name HN) 3.7  1.9  0.7  
assign (resid 51  and name HB*)(resid 51  and name HN) 3.1  1.3  0.6  
assign (resid 51  and name HA)(resid 51  and name HN) 2.0  0.2  0.4  
assign (resid 51  and name HA)(resid 52  and name HN) 2.3  0.5  0.5  
assign (resid 52  and name HN)(resid 47  and name HN) 2.9  1.1  0.6  
assign (resid 52  and name HN)(resid 51  and name HN) 2.6  0.8  0.5  
assign (resid 52  and name HB*)(resid 53  and name HN) 2.4  0.6  0.5  
assign (resid 52  and name HA)(resid 53  and name HN) 2.6  0.8  0.5  
assign (resid 52  and name HN)(resid 53  and name HN) 3.3  1.5  1.7    
assign (resid 53  and name HA)(resid 47  and name HN) 5.0  3.0  1.0  
assign (resid 53  and name HA)(resid 53  and name HN) 2.9  1.1  0.6  
assign (resid 53  and name HB*)(resid 53  and name HN) 3.5  1.7  0.7  
assign (resid 53  and name HA)(resid 54  and name HN) 2.4  0.6  0.5  
assign (resid 54  and name HN)(resid 45  and name HN) 2.9  1.1  0.6  
assign (resid 54  and name HB*)(resid 54  and name HD#) 2.7  0.9  0.5  
assign (resid 54  and name HA)(resid 55  and name HN) 2.3  0.5  0.5  
assign (resid 55  and name HA)(resid 45  and name HN) 3.3  1.5  0.7  
assign (resid 55  and name HE#)(resid 55  and name HD#) 2.7  0.9  0.5  
assign (resid 55  and name HA)(resid 56  and name HN) 2.4  0.6  0.5  
assign (resid 55  and name HB*)(resid 56  and name HN) 2.9  1.1  0.6  
assign (resid 56  and name HA)(resid 22  and name HA) 2.2  0.4  0.4  
assign (resid 56  and name HA)(resid 23  and name HN) 5.0  3.0  1.0  
assign (resid 56  and name HD21)(resid 42  and name HD#) 3.0  1.2  0.6  
assign (resid 56  and name HA)(resid 56  and name HD22) 5.0  3.0  1.0  
assign (resid 56  and name HB*)(resid 56  and name HD21) 2.8  1.0  0.6  
assign (resid 56  and name HB*)(resid 56  and name HD22) 2.6  0.8  1.5    
assign (resid 56  and name HD21)(resid 56  and name HD22) 2.1  0.3  0.4  
assign (resid 56  and name HA)(resid 56  and name HN) 2.9  1.1  0.6  
assign (resid 56  and name HA)(resid 57  and name HN) 2.3  0.5  0.5  
assign (resid 56  and name HA)(resid 58  and name HN) 2.8  1.0  0.6  
assign (resid 57  and name HA)(resid 57  and name HN) 3.2  1.4  0.6  
assign (resid 58  and name HN)(resid 57  and name HN) 2.3  0.5  0.5  
assign (resid 58  and name HB*#)(resid 58  and name HN) 3.1  1.3  0.6  
assign (resid 58  and name HB)(resid 58  and name HN) 2.7  0.9  0.5  
assign (resid 58  and name HA)(resid 58  and name HN) 2.6  0.8  0.5  
assign (resid 58  and name HB*#)(resid 58  and name HN) 2.5  0.7  0.5  
assign (resid 58  and name HB*#)(resid 59  and name HN) 2.7  0.9  0.5  
assign (resid 58  and name HA)(resid 59  and name HN) 2.2  0.4  0.4  
assign (resid 58  and name HB)(resid 59  and name HN) 2.3  0.5  0.5  
assign (resid 59  and name HA)(resid 40  and name HE#) 4.3  2.5  0.9  
assign (resid 59  and name HA)(resid 40  and name HD#) 3.0  1.2  0.6  
assign (resid 59  and name HA)(resid 42  and name HE#) 4.5  2.7  0.9  
assign (resid 59  and name HB*)(resid 59  and name HA) 2.2  0.4  0.4  
assign (resid 59  and name HB*)(resid 59  and name HN) 2.4  0.6  0.5  
assign (resid 59  and name HA)(resid 59  and name HN) 2.7  0.9  0.5  
assign (resid 59  and name HB*)(resid 59  and name HN) 2.4  0.6  0.5  
assign (resid 59  and name HB*)(resid 59  and name HA) 2.3  0.5  0.5  
assign (resid 59  and name HB*)(resid 60  and name HN) 3.2  1.4  0.6  
assign (resid 59  and name HN)(resid 60  and name HN) 3.4  1.6  0.7  
assign (resid 59  and name HA)(resid 60  and name HN) 2.2  0.4  0.4  
assign (resid 59  and name HB*)(resid 60  and name HN) 3.1  1.3  0.6  
assign (resid 59  and name HA)(resid 61  and name HN) 3.5  1.7  0.7  
assign (resid 60  and name HA*)(resid 42  and name HE#) 2.9  1.1  0.6  
assign (resid 60  and name HA*)(resid 60  and name HN) 2.4  0.6  0.5  
assign (resid 60  and name HA*)(resid 61  and name HN) 2.9  1.1  0.6  
assign (resid 60  and name HA*)(resid 63  and name HN) 3.0  1.2  0.6  
assign (resid 61  and name HN)(resid 60  and name HN) 2.7  0.9  0.5  
assign (resid 61  and name HB*)(resid 61  and name HA) 2.4  0.6  0.5  
assign (resid 61  and name HB*)(resid 61  and name HN) 2.3  0.5  0.5  
assign (resid 61  and name HB*)(resid 61  and name HA) 2.0  0.2  0.4  
assign (resid 61  and name HB*)(resid 61  and name HN) 3.0  1.2  0.6  
assign (resid 61  and name HA)(resid 61  and name HN) 2.5  0.7  0.5  
assign (resid 61  and name HB*)(resid 61  and name HA) 2.6  0.8  0.5  
assign (resid 61  and name HB*)(resid 61  and name HN) 2.6  0.8  0.5  
assign (resid 61  and name HA)(resid 62  and name HN) 5.0  3.0  1.0  
assign (resid 61  and name HA)(resid 63  and name HN) 5.0  3.0  1.0  
assign (resid 62  and name HN)(resid 60  and name HN) 3.4  1.6  0.7  
assign (resid 62  and name HN)(resid 61  and name HN) 2.4  0.6  0.5  
assign (resid 62  and name HB*)(resid 62  and name HN) 2.2  0.4  0.4  
assign (resid 62  and name HA)(resid 62  and name HN) 2.3  0.5  0.5  
assign (resid 62  and name HA)(resid 63  and name HN) 2.8  1.0  0.6  
assign (resid 62  and name HB*)(resid 63  and name HN) 4.3  2.5  0.9  
assign (resid 63  and name HN)(resid 60  and name HN) 3.8  2.0  0.8  
assign (resid 63  and name HN)(resid 61  and name HN) 3.0  1.2  1.6    
assign (resid 63  and name HN)(resid 62  and name HN) 2.4  0.6  0.5  
assign (resid 63  and name HB*)(resid 63  and name HN) 2.5  0.7  0.5  
assign (resid 63  and name HA)(resid 63  and name HN) 2.6  0.8  0.5  
assign (resid 63  and name HG#)(resid 63  and name HN) 2.8  1.0  0.6  
assign (resid 63  and name HB*)(resid 63  and name HN) 2.8  1.0  0.6  
assign (resid 63  and name HB*)(resid 64  and name HN) 3.1  1.3  0.6  
assign (resid 63  and name HD*#)(resid 64  and name HN) 5.0  3.0  1.0  
assign (resid 63  and name HA)(resid 64  and name HN) 2.4  0.6  0.5  
assign (resid 64  and name HA)(resid 64  and name HN) 3.3  1.5  0.7  
assign (resid 64  and name HB*)(resid 64  and name HN) 2.7  0.9  0.5  
assign (resid 64  and name HA)(resid 65  and name HN) 2.5  0.7  0.5  
assign (resid 64  and name HA)(resid 66  and name HN) 5.0  3.0  1.0  
assign (resid 65  and name HB*)(resid 65  and name HG#) 2.2  0.4  0.4  
assign (resid 65  and name HB*)(resid 65  and name HN) 2.9  1.1  0.6  
assign (resid 65  and name HA)(resid 65  and name HN) 2.8  1.0  0.6  
assign (resid 65  and name HE21)(resid 65  and name HE22) 2.3  0.5  0.5  
assign (resid 65  and name HB*)(resid 65  and name HN) 2.7  0.9  0.5  
assign (resid 65  and name HB*)(resid 65  and name HG#) 2.5  0.7  0.5  
assign (resid 65  and name HG#)(resid 65  and name HE22) 2.9  1.1  0.6  
assign (resid 65  and name HB*)(resid 66  and name HN) 2.7  0.9  0.5  
assign (resid 65  and name HG#)(resid 66  and name HN) 3.5  1.7  0.7  
assign (resid 65  and name HB*)(resid 66  and name HN) 2.4  0.6  0.5  
assign (resid 66  and name HN)(resid 65  and name HN) 3.0  1.2  0.6  
assign (resid 66  and name HB#)(resid 66  and name HN) 2.7  0.9  0.5  
assign (resid 66  and name HA)(resid 66  and name HN) 2.5  0.7  0.5  
assign (resid 66  and name HG#)(resid 66  and name HN) 2.8  1.0  0.6  
assign (resid 66  and name HA)(resid 67  and name HN) 5.0  3.0  1.0  
assign (resid 66  and name HA)(resid 68  and name HN) 3.0  1.2  0.6  
assign (resid 67  and name HN)(resid 66  and name HN) 2.6  0.8  0.5  
assign (resid 67  and name HB*)(resid 67  and name HN) 5.0  3.0  1.0  
assign (resid 67  and name HD*)(resid 67  and name HN) 2.7  0.9  0.5  
assign (resid 67  and name HE*)(resid 67  and name HN) 3.3  1.5  0.7  
assign (resid 67  and name HA)(resid 67  and name HN) 2.7  0.9  0.5  
assign (resid 67  and name HB*)(resid 68  and name HN) 3.5  1.7  0.7  
assign (resid 67  and name HA)(resid 68  and name HN) 3.1  1.3  0.6  
assign (resid 67  and name HB*)(resid 68  and name HN) 3.6  1.8  0.7  
assign (resid 68  and name HN)(resid 67  and name HN) 2.2  0.4  0.4  
assign (resid 68  and name HA)(resid 68  and name HN) 5.0  3.0  1.0  
assign (resid 68  and name HB*)(resid 68  and name HN) 2.4  0.6  0.5  
assign (resid 68  and name HB*)(resid 69  and name HN) 5.0  3.0  1.0  
assign (resid 68  and name HA)(resid 69  and name HN) 5.0  3.0  1.0  
assign (resid 69  and name HA)(resid 13  and name HA) 5.0  3.0  1.0  
assign (resid 69  and name HB*#)(resid 69  and name HN) 3.0  1.2  0.6  
assign (resid 69  and name HA)(resid 69  and name HN) 2.5  0.7  0.5  
assign (resid 69  and name HB*#)(resid 69  and name HN) 3.5  1.7  0.7  
assign (resid 69  and name HB)(resid 69  and name HN) 2.6  0.8  0.5  
assign (resid 69  and name HB*#)(resid 70  and name HN) 3.6  1.8  0.7  
assign (resid 69  and name HA)(resid 70  and name HN) 2.2  0.4  0.4  
assign (resid 70  and name HA)(resid 13  and name HA) 2.3  0.5  0.5  
assign (resid 70  and name HN)(resid 69  and name HN) 5.0  3.0  1.0  
assign (resid 70  and name HB)(resid 70  and name HN) 2.3  0.5  0.5  
assign (resid 70  and name HB*#)(resid 70  and name HN) 2.5  0.7  0.5  
assign (resid 70  and name HA)(resid 70  and name HN) 2.5  0.7  0.5  
assign (resid 70  and name HA)(resid 71  and name HN) 2.2  0.4  0.4  
assign (resid 70  and name HB)(resid 71  and name HN) 5.0  3.0  1.0  
assign (resid 70  and name HG#1)(resid 71  and name HN) 2.8  1.0  0.6  
assign (resid 70  and name HG#1)(resid 72  and name HN) 3.6  1.8  0.7  
assign (resid 71  and name HB*)(resid 71  and name HN) 3.1  1.3  0.6  
assign (resid 71  and name HA)(resid 71  and name HN) 2.6  0.8  0.5  
assign (resid 71  and name HB*)(resid 71  and name HN) 3.2  1.4  0.6  
assign (resid 71  and name HB*)(resid 72  and name HN) 3.4  1.6  0.7  
assign (resid 71  and name HA)(resid 72  and name HN) 2.2  0.4  0.4  
assign (resid 71  and name HA)(resid 73  and name HN) 3.2  1.4  0.6  
assign (resid 72  and name HA)(resid 72  and name HN) 2.6  0.8  0.5  
assign (resid 72  and name HN)(resid 73  and name HN) 2.8  1.0  0.6  
assign (resid 72  and name HA)(resid 73  and name HN) 3.1  1.3  0.6  
assign (resid 73  and name HB*)(resid 49  and name HN) 3.3  1.5  0.7  
assign (resid 73  and name HD22)(resid 73  and name HN) 3.4  1.6  0.7  
assign (resid 73  and name HB*)(resid 73  and name HN) 2.6  0.8  0.5  
assign (resid 73  and name HA)(resid 73  and name HN) 2.8  1.0  0.6  
assign (resid 73  and name HB*)(resid 73  and name HN) 2.5  0.7  0.5  
assign (resid 73  and name HD21)(resid 73  and name HD22) 2.1  0.3  0.4  
assign (resid 73  and name HA)(resid 74  and name HN) 3.5  1.7  0.7  
assign (resid 74  and name HA)(resid 48  and name HN) 2.8  1.0  0.6  
assign (resid 74  and name HN)(resid 73  and name HN) 2.4  0.6  0.5  
assign (resid 74  and name HB*)(resid 74  and name HN) 2.8  1.0  0.6  
assign (resid 74  and name HB*)(resid 74  and name HA) 2.7  0.9  0.5  
assign (resid 74  and name HA)(resid 74  and name HN) 2.9  1.1  0.6  
assign (resid 74  and name HB*)(resid 74  and name HN) 2.5  0.7  0.5  
assign (resid 74  and name HB*)(resid 74  and name HA) 2.8  1.0  0.6  
assign (resid 74  and name HB*)(resid 75  and name HN) 2.9  1.1  0.6  
assign (resid 74  and name HD#)(resid 75  and name HN) 3.5  1.7  0.7  
assign (resid 74  and name HN)(resid 75  and name HN) 3.2  1.4  1.6    
assign (resid 74  and name HA)(resid 75  and name HN) 2.2  0.4  0.4  
assign (resid 75  and name HA)(resid 12  and name HD21) 3.3  1.5  0.7  
assign (resid 75  and name HA)(resid 12  and name HA) 2.5  0.7  0.5  
assign (resid 75  and name HA)(resid 12  and name HD22) 3.1  1.3  0.6  
assign (resid 75  and name HA)(resid 13  and name HN) 3.1  1.3  0.6  
assign (resid 75  and name HN)(resid 46  and name HN) 5.0  3.0  1.0  
assign (resid 75  and name HB)(resid 75  and name HN) 3.7  1.9  0.7  
assign (resid 75  and name HB)(resid 75  and name HA) 2.3  0.5  0.5  
assign (resid 75  and name HG#)(resid 75  and name HN) 3.1  1.3  0.6  
assign (resid 75  and name HG#)(resid 75  and name HA) 2.7  0.9  0.5  
assign (resid 75  and name HA)(resid 75  and name HN) 3.0  1.2  0.6  
assign (resid 75  and name HA)(resid 76  and name HN) 2.0  0.2  0.4  
assign (resid 75  and name HG#)(resid 76  and name HN) 3.7  1.9  0.7  
assign (resid 76  and name HA)(resid 45  and name HA) 2.7  0.9  0.5  
assign (resid 76  and name HA)(resid 46  and name HN) 3.5  1.7  0.7  
assign (resid 76  and name HB*)(resid 76  and name HN) 2.9  1.1  0.6  
assign (resid 76  and name HA)(resid 76  and name HN) 5.0  3.0  1.0  
assign (resid 76  and name HB#)(resid 77  and name HN) 4.1  2.3  0.8  
assign (resid 76  and name HA)(resid 77  and name HN) 2.2  0.4  0.4  
assign (resid 77  and name HA)(resid 10  and name HN) 2.8  1.0  0.6  
assign (resid 77  and name HN)(resid 44  and name HN) 2.9  1.1  0.6  
assign (resid 77  and name HA)(resid 77  and name HN) 2.9  1.1  0.6  
assign (resid 77  and name HB*)(resid 77  and name HN) 2.8  1.0  0.6  
assign (resid 77  and name HD22)(resid 77  and name HN) 2.9  1.1  0.6  
assign (resid 77  and name HD21)(resid 77  and name HN) 2.4  0.6  0.5  
assign (resid 77  and name HD21)(resid 77  and name HD22) 2.1  0.3  0.4  
assign (resid 77  and name HB*)(resid 77  and name HN) 2.7  0.9  0.5  
assign (resid 77  and name HB*)(resid 78  and name HN) 3.2  1.4  0.6  
assign (resid 77  and name HA)(resid 78  and name HN) 2.3  0.5  0.5  
assign (resid 77  and name HB*)(resid 78  and name HN) 2.9  1.1  0.6  
assign (resid 78  and name HN)(resid 8  and name HN) 2.6  0.8  0.5  
assign (resid 78  and name HD#)(resid 63  and name HN) 5.0  3.0  1.0  
assign (resid 78  and name HB*)(resid 63  and name HN) 5.0  3.0  1.0  
assign (resid 78  and name HB*)(resid 78  and name HN) 2.5  0.7  0.5  
assign (resid 78  and name HA)(resid 78  and name HN) 5.0  3.0  1.0  
assign (resid 78  and name HB*)(resid 78  and name HN) 2.7  0.9  0.5  
assign (resid 78  and name HD#)(resid 78  and name HN) 3.6  1.8  0.7  
assign (resid 78  and name HD#)(resid 78  and name HE#) 2.4  0.6  0.5  
assign (resid 78  and name HB*)(resid 79  and name HN) 2.8  1.0  0.6  
assign (resid 78  and name HA)(resid 79  and name HN) 2.1  0.3  0.4  
assign (resid 79  and name HA)(resid 7  and name HA) 2.6  0.8  0.5  
assign (resid 79  and name HA)(resid 8  and name HN) 3.3  1.5  0.7  
assign (resid 79  and name HB*)(resid 79  and name HN) 2.3  0.5  0.5  
assign (resid 79  and name HG#)(resid 79  and name HN) 4.2  2.4  0.8  
assign (resid 79  and name HA)(resid 79  and name HN) 2.9  1.1  0.6  
assign (resid 79  and name HD*#)(resid 80  and name HN) 2.7  0.9  0.5  
assign (resid 79  and name HA)(resid 80  and name HN) 2.1  0.3  0.4  
assign (resid 79  and name HG)(resid 80  and name HN) 3.0  1.2  0.6  
assign (resid 79  and name HB*)(resid 80  and name HN) 3.3  1.5  0.7  
assign (resid 80  and name HA)(resid 80  and name HN) 2.8  1.0  0.6  
assign (resid 80  and name HB)(resid 80  and name HN) 2.9  1.1  0.6  
!
assign (resid 2 and name HB2 )(resid 3 and name HN) 3.7 1.9 1.1
assign (resid 3 and name HN )(resid 3 and name HB2) 3.6 1.8 1.1
assign (resid 3 and name HG2 )(resid 3 and name HD2) 3.7 1.9 1.1
assign (resid 3 and name HG2 )(resid 3 and name HD1) 3.8 2.0 1.1
assign (resid 3 and name HG2 )(resid 3 and name HN) 3.7 1.9 1.1
assign (resid 3 and name HB2 )(resid 3 and name HN) 3.4 1.6 1.0
assign (resid 3 and name HB2 )(resid 4 and name HN) 3.8 2.0 1.1
assign (resid 3 and name HG1 )(resid 4 and name HN) 3.5 1.7 1.0
assign (resid 3 and name HA )(resid 4 and name HN) 3.2 1.4 1.0
assign (resid 3 and name HB2 )(resid 2 and name HN) 3.7 1.9 1.1
assign (resid 3 and name HD2 )(resid 2 and name HN) 3.8 2.0 1.1
assign (resid 4 and name HG2 )(resid 32 and name HD1) 3.6 1.8 1.1
assign (resid 4 and name HB2 )(resid 7 and name HZ2) 3.9 2.1 1.2
assign (resid 4 and name HB1 )(resid 36 and name HZ) 3.5 1.7 1.0
assign (resid 4 and name HG* )(resid 4 and name HN) 3.6 1.8 1.1
assign (resid 4 and name HB1 )(resid 7 and name HE1) 3.6 1.8 1.1
assign (resid 5 and name HN )(resid 32 and name HB2) 3.8 2.0 1.2
assign (resid 5 and name HA )(resid 36 and name HZ) 3.8 2.0 1.2
assign (resid 5 and name HA )(resid 6 and name HN) 3.3 1.5 1.0
assign (resid 6 and name HN )(resid 79 and name HD2*) 3.8 2.0 1.2
assign (resid 6 and name HB2 )(resid 6 and name HB1) 3.2 1.4 1.0
assign (resid 6 and name HB2 )(resid 6 and name HB1) 3.2 1.4 1.0
assign (resid 6 and name HB2 )(resid 7 and name HD1) 3.6 1.8 1.1
assign (resid 6 and name HA )(resid 7 and name HD1) 3.1 1.3 0.9
assign (resid 6 and name HB2 )(resid 6 and name HN) 3.8 2.0 1.1
assign (resid 6 and name HB1 )(resid 6 and name HN) 3.6 1.8 1.1
assign (resid 6 and name HA )(resid 7 and name HN) 3.0 1.2 0.9
assign (resid 6 and name HB2 )(resid 8 and name HN) 4.0 2.2 1.2
assign (resid 6 and name HA )(resid 7 and name HE1) 3.6 1.8 1.1
assign (resid 6 and name HN )(resid 7 and name HE1) 4.0 2.2 1.2
assign (resid 7 and name HZ2 )(resid 32 and name HD2) 3.3 1.5 1.0
assign (resid 7 and name HD1 )(resid 7 and name HB1) 3.8 2.0 1.1
assign (resid 7 and name HB2 )(resid 7 and name HD1) 3.5 1.7 1.1
assign (resid 7 and name HH2 )(resid 7 and name HZ2) 3.6 1.8 1.1
assign (resid 7 and name HE1 )(resid 7 and name HD1) 3.6 1.8 1.1
assign (resid 7 and name HB1 )(resid 7 and name HE3) 3.7 1.9 1.1
assign (resid 7 and name HA )(resid 7 and name HE3) 4.1 2.3 1.2
assign (resid 7 and name HZ3 )(resid 7 and name HE3) 3.9 2.1 1.2
assign (resid 7 and name HD1 )(resid 6 and name HN) 3.3 1.5 1.0
assign (resid 7 and name HE1 )(resid 6 and name HN) 4.0 2.2 1.2
assign (resid 7 and name HZ2 )(resid 32 and name HZ*) 3.0 1.2 0.9
assign (resid 7 and name HH2 )(resid 32 and name HN) 3.6 1.8 1.1
assign (resid 7 and name HA )(resid 8 and name HN) 3.4 1.6 1.0
assign (resid 7 and name HD1 )(resid 7 and name HE1) 3.6 1.8 1.1
assign (resid 8 and name HG2* )(resid 8 and name HB) 3.9 2.1 1.2
assign (resid 8 and name HG2* )(resid 9 and name HN) 3.5 1.7 1.0
assign (resid 8 and name HG2* )(resid 78 and name HN) 3.7 1.9 1.1
assign (resid 8 and name HG2* )(resid 8 and name HN) 3.6 1.8 1.1
assign (resid 8 and name HB )(resid 8 and name HN) 3.9 2.1 1.2
assign (resid 9 and name HB1 )(resid 9 and name HB2) 3.7 1.9 1.1
assign (resid 9 and name HN )(resid 9 and name HB2) 3.9 2.1 1.2
assign (resid 9 and name HB2 )(resid 9 and name HB1) 3.3 1.5 1.0
assign (resid 9 and name HB1 )(resid 9 and name HD*) 3.8 2.0 1.1
assign (resid 9 and name HA )(resid 10 and name HN) 3.5 1.7 1.1
assign (resid 9 and name HB2 )(resid 9 and name HN) 3.6 1.8 1.1
assign (resid 9 and name HB1 )(resid 9 and name HN) 3.8 2.0 1.1
assign (resid 10 and name HB1 )(resid 65 and name HB2) 3.9 2.1 1.2
assign (resid 10 and name HD* )(resid 10 and name HE*) 3.3 1.5 1.0
assign (resid 10 and name HB1 )(resid 10 and name HD*) 3.6 1.8 1.1
assign (resid 10 and name HA )(resid 10 and name HD*) 3.7 1.9 1.1
assign (resid 10 and name HE* )(resid 10 and name HD*) 3.0 1.2 0.9
assign (resid 10 and name HB1 )(resid 10 and name HN) 3.7 1.9 1.1
assign (resid 11 and name HB* )(resid 11 and name HN) 3.9 2.1 1.2
assign (resid 11 and name HB* )(resid 13 and name HN) 3.9 2.1 1.2
assign (resid 11 and name HN )(resid 76 and name HN) 3.8 2.0 1.2
assign (resid 11 and name HB* )(resid 12 and name HN) 3.3 1.5 1.0
assign (resid 11 and name HA )(resid 12 and name HN) 3.3 1.5 1.0
assign (resid 12 and name HN )(resid 12 and name HB2) 3.9 2.1 1.2
assign (resid 12 and name HB1 )(resid 12 and name HB2) 3.6 1.8 1.1
assign (resid 12 and name HB2 )(resid 12 and name HB1) 3.6 1.8 1.1
assign (resid 12 and name HA )(resid 13 and name HN) 3.4 1.6 1.0
assign (resid 12 and name HB1 )(resid 12 and name HD21) 4.1 2.3 1.2
assign (resid 12 and name HN )(resid 12 and name HD22) 3.6 1.8 1.1
assign (resid 13 and name HB2 )(resid 13 and name HD2) 3.5 1.7 1.0
assign (resid 13 and name HG2 )(resid 13 and name HD1) 3.9 2.1 1.2
assign (resid 13 and name HB2 )(resid 13 and name HN) 3.7 1.9 1.1
assign (resid 13 and name HA )(resid 71 and name HN) 3.8 2.0 1.1
assign (resid 13 and name HB2 )(resid 71 and name HN) 3.7 1.9 1.1
assign (resid 13 and name HN )(resid 71 and name HN) 3.8 2.0 1.1
assign (resid 13 and name HB2 )(resid 14 and name HN) 3.5 1.7 1.0
assign (resid 13 and name HA )(resid 14 and name HN) 3.6 1.8 1.1
assign (resid 14 and name HN )(resid 13 and name HB2) 3.8 2.0 1.1
assign (resid 14 and name HD2 )(resid 71 and name HB2) 3.5 1.7 1.0
assign (resid 14 and name HD2 )(resid 14 and name HE2) 3.8 2.0 1.1
assign (resid 14 and name HD2 )(resid 18 and name HE*) 3.8 2.0 1.1
assign (resid 14 and name HG1 )(resid 68 and name HZ) 3.4 1.6 1.0
assign (resid 14 and name HD2 )(resid 74 and name HD*) 3.2 1.4 1.0
assign (resid 14 and name HG1 )(resid 45 and name HZ) 3.5 1.7 1.1
assign (resid 14 and name HE1 )(resid 68 and name HD*) 3.6 1.8 1.1
assign (resid 14 and name HG1 )(resid 16 and name HN) 3.7 1.9 1.1
assign (resid 14 and name HD2 )(resid 71 and name HN) 3.3 1.5 1.0
assign (resid 14 and name HD2 )(resid 14 and name HN) 3.7 1.9 1.1
assign (resid 15 and name HD* )(resid 15 and name HE*) 3.4 1.6 1.0
assign (resid 15 and name HB1 )(resid 16 and name HN) 3.8 2.0 1.1
assign (resid 15 and name HB1 )(resid 69 and name HN) 3.8 2.0 1.1
assign (resid 16 and name HN )(resid 16 and name HG2*) 3.7 1.9 1.1
assign (resid 16 and name HG2* )(resid 16 and name HA) 3.5 1.7 1.1
assign (resid 16 and name HA )(resid 16 and name HB) 3.9 2.1 1.2
assign (resid 16 and name HG2* )(resid 16 and name HB) 4.0 2.2 1.2
assign (resid 16 and name HG2* )(resid 16 and name HN) 3.3 1.5 1.0
assign (resid 16 and name HA )(resid 16 and name HN) 4.1 2.3 1.2
assign (resid 16 and name HG2* )(resid 69 and name HN) 3.8 2.0 1.1
assign (resid 17 and name HB1 )(resid 18 and name HN) 3.9 2.1 1.2
assign (resid 17 and name HA )(resid 18 and name HN) 3.5 1.7 1.1
assign (resid 18 and name HE* )(resid 18 and name HZ) 4.1 2.3 1.2
assign (resid 18 and name HB1 )(resid 18 and name HD*) 4.1 2.3 1.2
assign (resid 18 and name HA )(resid 18 and name HD*) 3.6 1.8 1.1
assign (resid 18 and name HZ )(resid 18 and name HE*) 3.5 1.7 1.1
assign (resid 18 and name HE* )(resid 45 and name HE*) 3.9 2.1 1.2
assign (resid 18 and name HZ )(resid 74 and name HE*) 4.1 2.3 1.2
assign (resid 18 and name HE* )(resid 74 and name HE*) 3.8 2.0 1.1
assign (resid 18 and name HE* )(resid 45 and name HD*) 3.7 1.9 1.1
assign (resid 18 and name HD* )(resid 18 and name HN) 4.3 2.5 1.3
assign (resid 18 and name HB1 )(resid 18 and name HN) 3.8 2.0 1.1
assign (resid 18 and name HN )(resid 19 and name HN) 3.9 2.1 1.2
assign (resid 19 and name HB2 )(resid 20 and name HN) 3.9 2.1 1.2
assign (resid 19 and name HB2 )(resid 19 and name HN) 3.4 1.6 1.0
assign (resid 19 and name HA )(resid 19 and name HN) 3.6 1.8 1.1
assign (resid 20 and name HB2 )(resid 20 and name HA) 4.3 2.5 1.3
assign (resid 20 and name HG1 )(resid 68 and name HZ) 3.8 2.0 1.2
assign (resid 20 and name HG2 )(resid 21 and name HN) 3.8 2.0 1.1
assign (resid 20 and name HD* )(resid 21 and name HN) 3.9 2.1 1.2
assign (resid 20 and name HB1 )(resid 21 and name HN) 3.5 1.7 1.1
assign (resid 20 and name HB2 )(resid 20 and name HN) 3.7 1.9 1.1
assign (resid 21 and name HB1 )(resid 22 and name HD*) 3.8 2.0 1.2
assign (resid 21 and name HA )(resid 22 and name HD*) 3.6 1.8 1.1
assign (resid 22 and name HZ )(resid 63 and name HD2*) 3.7 1.9 1.1
assign (resid 22 and name HD* )(resid 57 and name HG2*) 3.7 1.9 1.1
assign (resid 22 and name HD* )(resid 58 and name HG2*) 3.7 1.9 1.1
assign (resid 22 and name HZ )(resid 63 and name HD1*) 3.8 2.0 1.2
assign (resid 22 and name HB2 )(resid 22 and name HB1) 3.8 2.0 1.1
assign (resid 22 and name HZ )(resid 22 and name HE*) 4.3 2.5 1.3
assign (resid 22 and name HE* )(resid 22 and name HZ) 3.2 1.4 1.0
assign (resid 22 and name HE* )(resid 22 and name HD*) 3.6 1.8 1.1
assign (resid 22 and name HN )(resid 22 and name HD*) 4.3 2.5 1.3
assign (resid 22 and name HB1 )(resid 22 and name HD*) 3.7 1.9 1.1
assign (resid 22 and name HZ )(resid 45 and name HZ) 3.6 1.8 1.1
assign (resid 22 and name HN )(resid 21 and name HN) 4.2 2.4 1.3
assign (resid 22 and name HA )(resid 57 and name HN) 4.2 2.4 1.2
assign (resid 22 and name HE* )(resid 57 and name HN) 2.8 1.0 0.8
assign (resid 22 and name HD* )(resid 57 and name HN) 3.3 1.5 1.0
assign (resid 22 and name HA )(resid 23 and name HN) 3.8 2.0 1.1
assign (resid 22 and name HD* )(resid 22 and name HN) 3.4 1.6 1.0
assign (resid 22 and name HD* )(resid 56 and name HN) 3.4 1.6 1.0
assign (resid 23 and name HN )(resid 23 and name HB2) 3.9 2.1 1.2
assign (resid 23 and name HN )(resid 23 and name HB1) 3.6 1.8 1.1
assign (resid 23 and name HB2 )(resid 55 and name HE*) 3.4 1.6 1.0
assign (resid 23 and name HB2 )(resid 55 and name HD*) 3.3 1.5 1.0
assign (resid 23 and name HE1 )(resid 23 and name HZ*) 3.4 1.6 1.0
assign (resid 23 and name HA )(resid 24 and name HN) 3.4 1.6 1.0
assign (resid 23 and name HB2 )(resid 23 and name HN) 3.3 1.5 1.0
assign (resid 23 and name HA )(resid 23 and name HN) 3.2 1.4 0.9
assign (resid 23 and name HN )(resid 55 and name HN) 3.3 1.5 1.0
assign (resid 24 and name HN )(resid 23 and name HB2) 3.8 2.0 1.1
assign (resid 24 and name HE2 )(resid 24 and name HD2) 4.7 2.9 1.4
assign (resid 24 and name HE1 )(resid 24 and name HD1) 3.7 1.9 1.1
assign (resid 24 and name HN )(resid 24 and name HB1) 3.9 2.1 1.2
assign (resid 24 and name HG1 )(resid 24 and name HE1) 3.4 1.6 1.0
assign (resid 24 and name HD1 )(resid 24 and name HE1) 3.3 1.5 1.0
assign (resid 24 and name HB2 )(resid 54 and name HD*) 3.7 1.9 1.1
assign (resid 24 and name HB2 )(resid 54 and name HE*) 3.4 1.6 1.0
assign (resid 24 and name HB2 )(resid 24 and name HN) 3.2 1.4 1.0
assign (resid 24 and name HB1 )(resid 24 and name HN) 3.6 1.8 1.1
assign (resid 24 and name HA )(resid 25 and name HN) 3.4 1.6 1.0
assign (resid 24 and name HB2 )(resid 53 and name HN) 3.4 1.6 1.0
assign (resid 24 and name HB2 )(resid 55 and name HN) 3.6 1.8 1.1
assign (resid 25 and name HB* )(resid 26 and name HN) 3.7 1.9 1.1
assign (resid 25 and name HB2 )(resid 25 and name HN) 4.0 2.2 1.2
assign (resid 26 and name HN )(resid 27 and name HN) 4.4 2.6 1.3
assign (resid 27 and name HN )(resid 27 and name HB2) 3.7 1.9 1.1
assign (resid 27 and name HN )(resid 27 and name HB1) 3.9 2.1 1.2
assign (resid 27 and name HB2 )(resid 55 and name HE*) 3.9 2.1 1.2
assign (resid 27 and name HA )(resid 27 and name HN) 2.8 1.0 0.9
assign (resid 27 and name HB2 )(resid 27 and name HN) 3.6 1.8 1.1
assign (resid 27 and name HB2 )(resid 29 and name HN) 3.7 1.9 1.1
assign (resid 27 and name HN )(resid 26 and name HN) 3.4 1.6 1.0
assign (resid 27 and name HA )(resid 28 and name HN) 2.8 1.0 0.8
assign (resid 27 and name HB1 )(resid 28 and name HN) 3.8 2.0 1.1
assign (resid 28 and name HN )(resid 28 and name HB1) 3.7 1.9 1.1
assign (resid 28 and name HD2* )(resid 29 and name HN) 3.8 2.0 1.1
assign (resid 28 and name HB1 )(resid 29 and name HN) 3.6 1.8 1.1
assign (resid 28 and name HN )(resid 29 and name HN) 4.2 2.4 1.3
assign (resid 28 and name HB2 )(resid 29 and name HN) 3.6 1.8 1.1
assign (resid 28 and name HB1 )(resid 28 and name HN) 3.5 1.7 1.1
assign (resid 28 and name HA )(resid 28 and name HN) 3.8 2.0 1.1
assign (resid 29 and name HN )(resid 29 and name HB1) 3.5 1.7 1.1
assign (resid 29 and name HB1 )(resid 30 and name HN) 3.5 1.7 1.0
assign (resid 29 and name HN )(resid 30 and name HN) 4.6 2.8 1.4
assign (resid 29 and name HB1 )(resid 29 and name HN) 3.2 1.4 1.0
assign (resid 29 and name HN )(resid 28 and name HN) 3.6 1.8 1.1
assign (resid 30 and name HN )(resid 30 and name HB2) 3.6 1.8 1.1
assign (resid 30 and name HA )(resid 30 and name HN) 3.6 1.8 1.1
assign (resid 30 and name HG* )(resid 30 and name HN) 3.6 1.8 1.1
assign (resid 30 and name HN )(resid 29 and name HN) 3.5 1.7 1.0
assign (resid 30 and name HA )(resid 31 and name HN) 4.0 2.2 1.2
assign (resid 30 and name HN )(resid 31 and name HN) 3.8 2.0 1.1
assign (resid 31 and name HN )(resid 29 and name HB2) 3.6 1.8 1.1
assign (resid 31 and name HN )(resid 31 and name HB2) 3.9 2.1 1.2
assign (resid 31 and name HB1 )(resid 31 and name HB2) 3.0 1.2 0.9
assign (resid 31 and name HB2 )(resid 31 and name HB1) 3.1 1.3 0.9
assign (resid 31 and name HN )(resid 31 and name HB1) 3.7 1.9 1.1
assign (resid 31 and name HB2 )(resid 31 and name HA) 3.6 1.8 1.1
assign (resid 31 and name HN )(resid 31 and name HA) 3.7 1.9 1.1
assign (resid 31 and name HB2 )(resid 7 and name HH2) 4.0 2.2 1.2
assign (resid 31 and name HB2 )(resid 32 and name HN) 4.0 2.2 1.2
assign (resid 31 and name HB1 )(resid 31 and name HN) 3.4 1.6 1.0
assign (resid 31 and name HA )(resid 33 and name HN) 3.3 1.5 1.0
assign (resid 32 and name HD2 )(resid 31 and name HB2) 3.3 1.5 1.0
assign (resid 32 and name HB1 )(resid 32 and name HA) 3.8 2.0 1.1
assign (resid 32 and name HD2 )(resid 32 and name HA) 3.4 1.6 1.0
assign (resid 32 and name HA )(resid 7 and name HZ2) 3.8 2.0 1.2
assign (resid 32 and name HE2 )(resid 7 and name HZ2) 3.9 2.1 1.2
assign (resid 32 and name HG1 )(resid 36 and name HZ) 3.3 1.5 1.0
assign (resid 32 and name HG1 )(resid 7 and name HH2) 3.8 2.0 1.1
assign (resid 32 and name HD1 )(resid 30 and name HN) 3.9 2.1 1.2
assign (resid 32 and name HD2 )(resid 32 and name HN) 3.6 1.8 1.1
assign (resid 32 and name HD1 )(resid 32 and name HN) 3.5 1.7 1.1
assign (resid 32 and name HB1 )(resid 32 and name HN) 3.8 2.0 1.2
assign (resid 32 and name HA )(resid 32 and name HN) 3.8 2.0 1.1
assign (resid 32 and name HD2 )(resid 33 and name HN) 3.6 1.8 1.1
assign (resid 32 and name HB2 )(resid 33 and name HN) 3.3 1.5 1.0
assign (resid 32 and name HB1 )(resid 33 and name HN) 3.2 1.4 0.9
assign (resid 32 and name HD2 )(resid 35 and name HN) 3.9 2.1 1.2
assign (resid 32 and name HB2 )(resid 5 and name HN) 3.6 1.8 1.1
assign (resid 32 and name HB1 )(resid 7 and name HE1) 3.8 2.0 1.1
assign (resid 33 and name HD1 )(resid 33 and name HE2) 3.4 1.6 1.0
assign (resid 33 and name HG1 )(resid 37 and name HN) 3.6 1.8 1.1
assign (resid 33 and name HB1 )(resid 30 and name HN) 3.7 1.9 1.1
assign (resid 33 and name HA )(resid 32 and name HN) 3.8 2.0 1.1
assign (resid 33 and name HG2 )(resid 32 and name HN) 3.3 1.5 1.0
assign (resid 33 and name HG2 )(resid 35 and name HN) 3.7 1.9 1.1
assign (resid 34 and name HG2* )(resid 34 and name HB) 3.6 1.8 1.1
assign (resid 34 and name HG2* )(resid 34 and name HA) 3.7 1.9 1.1
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assign (resid 34 and name HB )(resid 55 and name HD*) 4.0 2.2 1.2
assign (resid 34 and name HA )(resid 34 and name HN) 3.5 1.7 1.0
assign (resid 34 and name HG2* )(resid 34 and name HN) 3.8 2.0 1.1
assign (resid 35 and name HB2 )(resid 55 and name HB2) 3.1 1.3 0.9
assign (resid 35 and name HA )(resid 36 and name HN) 3.8 2.0 1.1
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assign (resid 35 and name HB* )(resid 35 and name HN) 3.5 1.7 1.0
assign (resid 35 and name HA )(resid 35 and name HN) 4.0 2.2 1.2
assign (resid 36 and name HZ )(resid 32 and name HG1) 3.6 1.8 1.1
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assign (resid 36 and name HD* )(resid 36 and name HB2) 3.7 1.9 1.1
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assign (resid 36 and name HA )(resid 36 and name HD*) 3.5 1.7 1.1
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assign (resid 36 and name HA )(resid 36 and name HE*) 3.7 1.9 1.1
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assign (resid 36 and name HA )(resid 36 and name HN) 3.7 1.9 1.1
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assign (resid 36 and name HB1 )(resid 36 and name HN) 3.5 1.7 1.0
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assign (resid 36 and name HN )(resid 34 and name HN) 3.7 1.9 1.1
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assign (resid 36 and name HZ )(resid 3 and name HN) 3.8 2.0 1.1
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assign (resid 38 and name HB )(resid 38 and name HN) 3.3 1.5 1.0
assign (resid 38 and name HA )(resid 41 and name HN) 3.7 1.9 1.1
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assign (resid 77 and name HB2 )(resid 9 and name HE*) 3.9 2.1 1.2
assign (resid 77 and name HB1 )(resid 9 and name HZ) 3.8 2.0 1.1
assign (resid 77 and name HB1 )(resid 9 and name HZ) 3.9 2.1 1.2
assign (resid 77 and name HN )(resid 45 and name HE*) 4.4 2.6 1.3
assign (resid 77 and name HB2 )(resid 77 and name HD22) 3.6 1.8 1.1
assign (resid 77 and name HA )(resid 77 and name HN) 4.0 2.2 1.2
assign (resid 77 and name HB2 )(resid 94 and name HN) 3.7 1.9 1.1
assign (resid 77 and name HB2 )(resid 9 and name HN) 3.8 2.0 1.1
assign (resid 77 and name HB2 )(resid 78 and name HN) 4.0 2.2 1.2
assign (resid 78 and name HN )(resid 78 and name HA) 3.9 2.1 1.2
assign (resid 78 and name HD* )(resid 78 and name HE*) 3.2 1.4 1.0
assign (resid 78 and name HB2 )(resid 78 and name HE*) 4.1 2.3 1.2
assign (resid 78 and name HB2 )(resid 78 and name HD*) 3.5 1.7 1.1
assign (resid 78 and name HE* )(resid 78 and name HD*) 2.9 1.1 0.9
assign (resid 78 and name HA )(resid 79 and name HN) 3.3 1.5 1.0
assign (resid 78 and name HB2 )(resid 78 and name HN) 3.6 1.8 1.1
assign (resid 78 and name HA )(resid 78 and name HN) 3.3 1.5 1.0
assign (resid 78 and name HN )(resid 8 and name HN) 3.8 2.0 1.1
assign (resid 79 and name HN )(resid 79 and name HB2) 3.7 1.9 1.1
assign (resid 79 and name HN )(resid 79 and name HB1) 3.3 1.5 1.0
assign (resid 79 and name HD2* )(resid 83 and name HG1) 3.8 2.0 1.1
assign (resid 79 and name HD2* )(resid 79 and name HA) 3.6 1.8 1.1
assign (resid 79 and name HN )(resid 78 and name HA) 3.9 2.1 1.2
assign (resid 79 and name HD1* )(resid 6 and name HN) 3.7 1.9 1.1
assign (resid 79 and name HD2* )(resid 6 and name HN) 3.4 1.6 1.0
assign (resid 79 and name HD1* )(resid 7 and name HN) 3.7 1.9 1.1
assign (resid 79 and name HG )(resid 80 and name HN) 3.7 1.9 1.1
assign (resid 79 and name HD1* )(resid 80 and name HN) 3.5 1.7 1.0
assign (resid 79 and name HA )(resid 80 and name HN) 3.1 1.3 0.9
assign (resid 79 and name HB2 )(resid 79 and name HN) 3.5 1.7 1.0
assign (resid 79 and name HB1 )(resid 79 and name HN) 3.2 1.4 0.9
assign (resid 79 and name HA )(resid 79 and name HN) 3.9 2.1 1.2
assign (resid 80 and name HN )(resid 79 and name HD2*) 3.8 2.0 1.1
assign (resid 80 and name HN )(resid 80 and name HG2*) 3.6 1.8 1.1
assign (resid 80 and name HN )(resid 79 and name HA) 3.5 1.7 1.0
assign (resid 81 and name HB* )(resid 82 and name HN) 3.7 1.9 1.1
assign (resid 82 and name HA )(resid 83 and name HN) 3.5 1.7 1.1
assign (resid 82 and name HB1 )(resid 82 and name HN) 4.1 2.3 1.2
assign (resid 82 and name HA )(resid 82 and name HN) 3.1 1.3 0.9
assign (resid 83 and name HN )(resid 81 and name HN) 3.6 1.8 1.1
assign (resid 83 and name HA )(resid 84 and name HN) 3.3 1.5 1.0
assign (resid 83 and name HA )(resid 83 and name HN) 3.7 1.9 1.1
assign (resid 83 and name HN )(resid 82 and name HN) 3.7 1.9 1.1
assign (resid 84 and name HA* )(resid 85 and name HN) 3.9 2.1 1.2
assign (resid 84 and name HA1 )(resid 84 and name HN) 3.4 1.6 1.0
assign (resid 85 and name HB2 )(resid 85 and name HN) 3.7 1.9 1.1
assign (resid 85 and name HG1 )(resid 5 and name HN) 3.7 1.9 1.1
assign (resid 86 and name HN )(resid 87 and name HN) 3.8 2.0 1.1
assign (resid 86 and name HB1 )(resid 87 and name HN) 3.6 1.8 1.1
assign (resid 87 and name HB* )(resid 87 and name HA) 3.9 2.1 1.2
assign (resid 87 and name HB* )(resid 87 and name HN) 3.3 1.5 1.0
assign (resid 87 and name HB* )(resid 87 and name HN) 3.3 1.5 1.0
assign (resid 87 and name HB* )(resid 87 and name HN) 3.3 1.5 1.0
assign (resid 88 and name HA1 )(resid 88 and name HN) 3.3 1.5 1.0
assign (resid 89 and name HD22 )(resid 89 and name HD21) 3.3 1.5 1.0
assign (resid 90 and name HA )(resid 89 and name HD22) 4.0 2.2 1.2
assign (resid 90 and name HB* )(resid 90 and name HN) 3.4 1.6 1.0
assign (resid 90 and name HA )(resid 90 and name HN) 3.5 1.7 1.0
assign (resid 91 and name HB* )(resid 93 and name HN) 3.7 1.9 1.1
assign (resid 92 and name HA* )(resid 92 and name HN) 3.9 2.1 1.2
assign (resid 95 and name HN )(resid 95 and name HB2) 3.8 2.0 1.1
assign (resid 96 and name HN )(resid 97 and name HN) 3.6 1.8 1.1
assign (resid 96 and name HA )(resid 96 and name HN) 3.2 1.4 0.9
assign (resid 98 and name HB1 )(resid 100 and name HN) 3.9 2.1 1.2
assign (resid 98 and name HB2 )(resid 98 and name HN) 3.6 1.8 1.1
assign (resid 99 and name HA )(resid 100 and name HN) 3.3 1.5 1.0
assign (resid 99 and name HG1 )(resid 99 and name HN) 4.0 2.2 1.2
assign (resid 101 and name HN )(resid 102 and name HN) 3.5 1.7 1.0
assign (resid 103 and name HN )(resid 100 and name HN) 3.0 1.2 0.9
assign (resid 103 and name HN )(resid 100 and name HN) 3.1 1.3 0.9
assign (resid 103 and name HN )(resid 101 and name HN) 3.7 1.9 1.1

!Schwefelbr?ckenrestraints
assign (resid 6 and name SG) (resid 82 and name SG) 2.02 0.1 0.1  
assign (resid 31 and name SG) (resid 53 and name SG) 2.02 0.1 0.1
assign (resid 35 and name SG) (resid 41 and name SG) 2.02 0.1 0.1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           H1       GLU   1 -14.424   6.392   6.475
    2    H2   GLU   1           H2       GLU   1 -13.487   5.919   5.140
    3    H3   GLU   1           H3       GLU   1 -14.639   4.870   5.775
    4    HA   GLU   1           HA       GLU   1 -16.402   6.158   5.093
    5    HB2  GLU   1           HB2      GLU   1 -14.311   8.160   4.192
    6    HB3  GLU   1           HB3      GLU   1 -15.977   8.218   3.658
    7    HG2  GLU   1           HG2      GLU   1 -15.805   9.804   5.388
    8    HG3  GLU   1           HG3      GLU   1 -16.616   8.419   6.106
    9    H    GLU   2           H        GLU   2 -17.150   6.370   2.784
   10    HA   GLU   2           HA       GLU   2 -15.960   4.205   1.304
   11    HB2  GLU   2           HB2      GLU   2 -17.906   4.501  -0.234
   12    HB3  GLU   2           HB3      GLU   2 -18.340   4.187   1.434
   13    HG2  GLU   2           HG2      GLU   2 -18.732   6.605   1.741
   14    HG3  GLU   2           HG3      GLU   2 -18.398   6.841   0.027
   15    H    ARG   3           H        ARG   3 -14.937   7.218   1.418
   16    HA   ARG   3           HA       ARG   3 -14.298   7.235  -1.415
   17    HB2  ARG   3           HB2      ARG   3 -14.525   9.527   0.551
   18    HB3  ARG   3           HB3      ARG   3 -13.524   9.664  -0.881
   19    HG2  ARG   3           HG2      ARG   3 -15.622  10.707  -1.325
   20    HG3  ARG   3           HG3      ARG   3 -15.552   9.222  -2.264
   21    HD2  ARG   3           HD2      ARG   3 -16.871   8.135  -0.429
   22    HD3  ARG   3           HD3      ARG   3 -17.079   9.736   0.280
   23    HE   ARG   3           HE       ARG   3 -17.847   9.478  -2.489
   24   HH11  ARG   3          HH11      ARG   3 -18.974   9.542   0.875
   25   HH12  ARG   3          HH12      ARG   3 -20.613   9.632   0.478
   26   HH21  ARG   3          HH21      ARG   3 -20.089   9.648  -3.046
   27   HH22  ARG   3          HH22      ARG   3 -21.279   9.711  -1.836
   28    H    GLU   4           H        GLU   4 -12.595   6.015  -1.461
   29    HA   GLU   4           HA       GLU   4 -10.718   6.177   0.754
   30    HB2  GLU   4           HB2      GLU   4  -9.805   4.275  -1.158
   31    HB3  GLU   4           HB3      GLU   4 -10.305   4.070   0.427
   32    HG2  GLU   4           HG2      GLU   4 -12.494   3.596  -0.047
   33    HG3  GLU   4           HG3      GLU   4 -12.392   4.170  -1.731
   34    H    ASP   5           H        ASP   5  -8.557   6.098   0.271
   35    HA   ASP   5           HA       ASP   5  -7.593   7.690  -1.864
   36    HB2  ASP   5           HB2      ASP   5  -5.394   6.481  -0.850
   37    HB3  ASP   5           HB3      ASP   5  -6.144   7.858  -0.052
   38    H    CYS   6           H        CYS   6  -6.748   6.848  -3.790
   39    HA   CYS   6           HA       CYS   6  -7.523   4.108  -4.250
   40    HB2  CYS   6           HB2      CYS   6  -6.704   5.009  -6.590
   41    HB3  CYS   6           HB3      CYS   6  -8.420   5.032  -6.086
   42    H    TRP   7           H        TRP   7  -6.130   2.562  -4.149
   43    HA   TRP   7           HA       TRP   7  -3.325   3.261  -4.385
   44    HB2  TRP   7           HB2      TRP   7  -4.410   0.566  -3.437
   45    HB3  TRP   7           HB3      TRP   7  -2.846   1.297  -3.133
   46    HD1  TRP   7           HD1      TRP   7  -4.568   4.146  -2.354
   47    HE1  TRP   7           HE1      TRP   7  -5.538   4.222   0.072
   48    HE3  TRP   7           HE3      TRP   7  -4.288  -0.779  -1.074
   49    HZ2  TRP   7           HZ2      TRP   7  -5.990   2.636   2.076
   50    HZ3  TRP   7           HZ3      TRP   7  -5.024  -1.434   1.194
   51    HH2  TRP   7           HH2      TRP   7  -5.856   0.259   2.764
   52    H    THR   8           H        THR   8  -2.133   2.528  -6.011
   53    HA   THR   8           HA       THR   8  -3.574   1.211  -8.157
   54    HB   THR   8           HB       THR   8  -0.930   2.669  -8.230
   55    HG1  THR   8           HG1      THR   8  -3.587   3.705  -8.527
   56   HG21  THR   8          HG21      THR   8  -1.480   1.280 -10.190
   57   HG22  THR   8          HG22      THR   8  -1.513   2.994 -10.602
   58   HG23  THR   8          HG23      THR   8  -3.022   2.119 -10.351
   59    H    PHE   9           H        PHE   9  -2.942  -0.798  -8.692
   60    HA   PHE   9           HA       PHE   9  -0.824  -1.997  -7.094
   61    HB2  PHE   9           HB2      PHE   9  -3.219  -2.926  -7.327
   62    HB3  PHE   9           HB3      PHE   9  -2.661  -3.488  -8.920
   63    HD1  PHE   9           HD1      PHE   9  -2.109  -3.612  -5.392
   64    HD2  PHE   9           HD2      PHE   9  -1.228  -5.382  -9.094
   65    HE1  PHE   9           HE1      PHE   9  -1.045  -5.475  -4.206
   66    HE2  PHE   9           HE2      PHE   9  -0.146  -7.286  -7.949
   67    HZ   PHE   9           HZ       PHE   9  -0.054  -7.306  -5.463
   68    H    TYR  10           H        TYR  10   0.946  -2.910  -7.991
   69    HA   TYR  10           HA       TYR  10   1.101  -2.745 -10.911
   70    HB2  TYR  10           HB2      TYR  10   2.571  -1.102  -9.839
   71    HB3  TYR  10           HB3      TYR  10   3.365  -2.394  -8.949
   72    HD1  TYR  10           HD1      TYR  10   4.853  -3.989 -10.157
   73    HD2  TYR  10           HD2      TYR  10   3.148  -0.640 -12.138
   74    HE1  TYR  10           HE1      TYR  10   6.486  -4.245 -11.960
   75    HE2  TYR  10           HE2      TYR  10   4.786  -0.893 -13.958
   76    HH   TYR  10           HH       TYR  10   7.159  -1.913 -14.197
   77    H    ALA  11           H        ALA  11   2.267  -4.684  -8.031
   78    HA   ALA  11           HA       ALA  11   2.230  -7.092  -9.481
   79    HB1  ALA  11           HB1      ALA  11   4.164  -6.124 -10.641
   80    HB2  ALA  11           HB2      ALA  11   4.671  -7.469  -9.612
   81    HB3  ALA  11           HB3      ALA  11   4.944  -5.815  -9.091
   82    H    ASN  12           H        ASN  12   3.263  -8.843  -8.172
   83    HA   ASN  12           HA       ASN  12   3.033  -8.254  -5.320
   84    HB2  ASN  12           HB2      ASN  12   3.684 -10.808  -6.864
   85    HB3  ASN  12           HB3      ASN  12   3.752 -10.709  -5.095
   86   HD21  ASN  12          HD21      ASN  12   1.303  -9.122  -7.036
   87   HD22  ASN  12          HD22      ASN  12  -0.010 -10.143  -6.521
   88    H    ARG  13           H        ARG  13   4.792  -7.716  -4.163
   89    HA   ARG  13           HA       ARG  13   7.474  -8.023  -5.314
   90    HB2  ARG  13           HB2      ARG  13   6.140  -5.453  -4.678
   91    HB3  ARG  13           HB3      ARG  13   7.847  -5.610  -4.964
   92    HG2  ARG  13           HG2      ARG  13   5.741  -6.199  -7.046
   93    HG3  ARG  13           HG3      ARG  13   6.492  -4.621  -6.849
   94    HD2  ARG  13           HD2      ARG  13   7.778  -5.520  -8.534
   95    HD3  ARG  13           HD3      ARG  13   8.716  -5.978  -7.125
   96    HE   ARG  13           HE       ARG  13   6.968  -8.062  -7.681
   97   HH11  ARG  13          HH11      ARG  13   9.888  -6.538  -9.021
   98   HH12  ARG  13          HH12      ARG  13  10.230  -7.793 -10.101
   99   HH21  ARG  13          HH21      ARG  13   7.426  -9.822  -9.225
  100   HH22  ARG  13          HH22      ARG  13   8.784  -9.693 -10.232
  101    H    LYS  14           H        LYS  14   9.005  -7.748  -3.773
  102    HA   LYS  14           HA       LYS  14   8.816  -5.870  -1.663
  103    HB2  LYS  14           HB2      LYS  14   8.294  -8.528  -0.798
  104    HB3  LYS  14           HB3      LYS  14   9.920  -8.120  -0.277
  105    HG2  LYS  14           HG2      LYS  14   8.604  -7.455   1.571
  106    HG3  LYS  14           HG3      LYS  14   8.778  -5.949   0.630
  107    HD2  LYS  14           HD2      LYS  14   6.546  -7.642  -0.144
  108    HD3  LYS  14           HD3      LYS  14   6.381  -6.884   1.461
  109    HE2  LYS  14           HE2      LYS  14   6.565  -4.742   0.526
  110    HE3  LYS  14           HE3      LYS  14   7.214  -5.346  -0.983
  111    HZ1  LYS  14           HZ1      LYS  14   5.098  -6.367  -1.411
  112    HZ2  LYS  14           HZ2      LYS  14   5.164  -4.696  -1.372
  113    HZ3  LYS  14           HZ3      LYS  14   4.400  -5.525  -0.073
  114    H    TYR  15           H        TYR  15  10.724  -5.066  -1.083
  115    HA   TYR  15           HA       TYR  15  13.006  -6.095  -2.586
  116    HB2  TYR  15           HB2      TYR  15  12.391  -3.691  -2.664
  117    HB3  TYR  15           HB3      TYR  15  12.624  -3.589  -0.934
  118    HD1  TYR  15           HD1      TYR  15  14.508  -4.784  -3.888
  119    HD2  TYR  15           HD2      TYR  15  14.577  -2.577  -0.291
  120    HE1  TYR  15           HE1      TYR  15  16.867  -4.191  -4.318
  121    HE2  TYR  15           HE2      TYR  15  16.932  -1.962  -0.683
  122    HH   TYR  15           HH       TYR  15  18.421  -2.431  -3.682
  123    H    THR  16           H        THR  16  11.791  -7.313  -0.440
  124    HA   THR  16           HA       THR  16  11.863  -8.121   1.650
  125    HB   THR  16           HB       THR  16  13.888  -9.580   2.051
  126    HG1  THR  16           HG1      THR  16  14.622  -8.317  -0.374
  127   HG21  THR  16          HG21      THR  16  11.907 -10.386   0.903
  128   HG22  THR  16          HG22      THR  16  13.345 -11.038   0.115
  129   HG23  THR  16          HG23      THR  16  12.473  -9.677  -0.607
  130    H    ASP  17           H        ASP  17  11.659  -5.986   2.534
  131    HA   ASP  17           HA       ASP  17  13.085  -5.816   4.910
  132    HB2  ASP  17           HB2      ASP  17  14.869  -4.777   3.579
  133    HB3  ASP  17           HB3      ASP  17  13.710  -3.658   2.862
  134    H    PHE  18           H        PHE  18  11.920  -4.594   6.330
  135    HA   PHE  18           HA       PHE  18   9.565  -3.193   5.254
  136    HB2  PHE  18           HB2      PHE  18   9.741  -5.079   7.619
  137    HB3  PHE  18           HB3      PHE  18   8.376  -4.006   7.352
  138    HD1  PHE  18           HD1      PHE  18  10.167  -6.970   6.042
  139    HD2  PHE  18           HD2      PHE  18   6.750  -4.484   5.716
  140    HE1  PHE  18           HE1      PHE  18   9.083  -8.647   4.590
  141    HE2  PHE  18           HE2      PHE  18   5.653  -6.134   4.279
  142    HZ   PHE  18           HZ       PHE  18   6.813  -8.219   3.703
  143    H    ASP  19           H        ASP  19  12.212  -2.149   6.069
  144    HA   ASP  19           HA       ASP  19  12.149  -1.071   8.683
  145    HB2  ASP  19           HB2      ASP  19  14.263  -1.325   7.538
  146    HB3  ASP  19           HB3      ASP  19  13.739  -0.249   6.258
  147    H    LYS  20           H        LYS  20  10.647  -0.007   5.785
  148    HA   LYS  20           HA       LYS  20  10.502   2.747   6.322
  149    HB2  LYS  20           HB2      LYS  20   8.786   0.991   4.595
  150    HB3  LYS  20           HB3      LYS  20   8.488   2.712   4.753
  151    HG2  LYS  20           HG2      LYS  20  11.072   1.511   3.815
  152    HG3  LYS  20           HG3      LYS  20   9.807   2.099   2.736
  153    HD2  LYS  20           HD2      LYS  20  10.023   4.332   3.778
  154    HD3  LYS  20           HD3      LYS  20  11.326   3.717   4.791
  155    HE2  LYS  20           HE2      LYS  20  12.624   3.208   2.763
  156    HE3  LYS  20           HE3      LYS  20  11.322   3.883   1.786
  157    HZ1  LYS  20           HZ1      LYS  20  12.914   5.358   3.807
  158    HZ2  LYS  20           HZ2      LYS  20  11.647   6.006   2.918
  159    HZ3  LYS  20           HZ3      LYS  20  13.063   5.510   2.149
  160    H    SER  21           H        SER  21   9.057   0.359   8.070
  161    HA   SER  21           HA       SER  21   7.794   0.413   9.902
  162    HB2  SER  21           HB2      SER  21   7.794   3.395   9.538
  163    HB3  SER  21           HB3      SER  21   7.224   2.524  10.970
  164    HG   SER  21           HG       SER  21   9.786   2.051   9.908
  165    H    PHE  22           H        PHE  22   6.066  -0.635   9.598
  166    HA   PHE  22           HA       PHE  22   3.789   0.666   8.263
  167    HB2  PHE  22           HB2      PHE  22   4.509  -2.256   8.145
  168    HB3  PHE  22           HB3      PHE  22   3.238  -1.407   7.254
  169    HD1  PHE  22           HD1      PHE  22   5.008   0.970   6.572
  170    HD2  PHE  22           HD2      PHE  22   5.539  -3.178   6.329
  171    HE1  PHE  22           HE1      PHE  22   6.399   1.365   4.764
  172    HE2  PHE  22           HE2      PHE  22   7.098  -2.865   4.427
  173    HZ   PHE  22           HZ       PHE  22   7.548  -0.642   3.594
  174    H    LYS  23           H        LYS  23   1.799  -0.109   9.130
  175    HA   LYS  23           HA       LYS  23   2.097  -1.759  11.524
  176    HB2  LYS  23           HB2      LYS  23   0.226   0.552  11.120
  177    HB3  LYS  23           HB3      LYS  23   0.110  -0.560  12.479
  178    HG2  LYS  23           HG2      LYS  23   2.298   0.139  13.261
  179    HG3  LYS  23           HG3      LYS  23   2.496   1.175  11.849
  180    HD2  LYS  23           HD2      LYS  23   1.856   2.500  13.770
  181    HD3  LYS  23           HD3      LYS  23   0.559   2.503  12.578
  182    HE2  LYS  23           HE2      LYS  23  -0.608   0.763  13.891
  183    HE3  LYS  23           HE3      LYS  23   0.683   0.835  15.091
  184    HZ1  LYS  23           HZ1      LYS  23  -1.234   2.174  15.725
  185    HZ2  LYS  23           HZ2      LYS  23  -1.077   3.087  14.323
  186    HZ3  LYS  23           HZ3      LYS  23   0.121   3.145  15.508
  187    H    LYS  24           H        LYS  24   0.442  -3.285  11.898
  188    HA   LYS  24           HA       LYS  24  -1.202  -3.744   9.514
  189    HB2  LYS  24           HB2      LYS  24   0.429  -5.312   9.295
  190    HB3  LYS  24           HB3      LYS  24   0.457  -5.755  11.022
  191    HG2  LYS  24           HG2      LYS  24  -1.776  -6.772  10.689
  192    HG3  LYS  24           HG3      LYS  24  -1.732  -6.284   8.999
  193    HD2  LYS  24           HD2      LYS  24  -1.147  -8.617   9.187
  194    HD3  LYS  24           HD3      LYS  24   0.271  -7.695   8.684
  195    HE2  LYS  24           HE2      LYS  24   1.074  -7.784  11.004
  196    HE3  LYS  24           HE3      LYS  24  -0.356  -8.729  11.439
  197    HZ1  LYS  24           HZ1      LYS  24   1.457 -10.230  11.041
  198    HZ2  LYS  24           HZ2      LYS  24   1.782  -9.524   9.537
  199    HZ3  LYS  24           HZ3      LYS  24   0.357 -10.390   9.766
  200    H    SER  25           H        SER  25  -3.114  -3.577   9.866
  201    HA   SER  25           HA       SER  25  -4.466  -5.174  11.831
  202    HB2  SER  25           HB2      SER  25  -5.103  -2.221  11.359
  203    HB3  SER  25           HB3      SER  25  -5.874  -3.290  12.527
  204    HG   SER  25           HG       SER  25  -3.292  -3.323  13.009
  205    H    SER  26           H        SER  26  -6.194  -6.082  10.461
  206    HA   SER  26           HA       SER  26  -6.135  -4.735   7.864
  207    HB2  SER  26           HB2      SER  26  -7.028  -7.553   8.434
  208    HB3  SER  26           HB3      SER  26  -6.628  -6.832   6.870
  209    HG   SER  26           HG       SER  26  -5.012  -7.825   8.843
  210    H    ASP  27           H        ASP  27  -7.557  -3.271   8.289
  211    HA   ASP  27           HA       ASP  27 -10.346  -3.957   7.734
  212    HB2  ASP  27           HB2      ASP  27  -9.320  -1.884   9.647
  213    HB3  ASP  27           HB3      ASP  27 -10.972  -1.913   9.015
  214    H    LEU  28           H        LEU  28 -10.779  -3.362   5.847
  215    HA   LEU  28           HA       LEU  28  -8.907  -2.003   4.302
  216    HB2  LEU  28           HB2      LEU  28 -10.832  -3.309   3.397
  217    HB3  LEU  28           HB3      LEU  28 -11.908  -2.015   3.888
  218    HG   LEU  28           HG       LEU  28 -10.712  -0.498   2.310
  219   HD11  LEU  28          HD11      LEU  28  -9.339  -3.039   1.451
  220   HD12  LEU  28          HD12      LEU  28  -8.574  -1.633   2.195
  221   HD13  LEU  28          HD13      LEU  28  -9.285  -1.504   0.589
  222   HD21  LEU  28          HD21      LEU  28 -11.713  -1.440   0.291
  223   HD22  LEU  28          HD22      LEU  28 -12.798  -1.600   1.670
  224   HD23  LEU  28          HD23      LEU  28 -11.888  -2.998   1.096
  225    H    ASP  29           H        ASP  29 -11.717  -0.835   5.994
  226    HA   ASP  29           HA       ASP  29 -11.611   1.902   5.411
  227    HB2  ASP  29           HB2      ASP  29 -12.411   0.560   7.954
  228    HB3  ASP  29           HB3      ASP  29 -12.768   2.239   7.570
  229    H    GLU  30           H        GLU  30 -10.076   0.032   7.976
  230    HA   GLU  30           HA       GLU  30  -9.031   2.298   9.363
  231    HB2  GLU  30           HB2      GLU  30  -8.025  -0.548   9.498
  232    HB3  GLU  30           HB3      GLU  30  -7.476   0.753  10.512
  233    HG2  GLU  30           HG2      GLU  30 -10.343  -0.169  10.447
  234    HG3  GLU  30           HG3      GLU  30  -9.149  -0.703  11.627
  235    H    CYS  31           H        CYS  31  -7.756   0.205   6.955
  236    HA   CYS  31           HA       CYS  31  -5.185   1.382   6.972
  237    HB2  CYS  31           HB2      CYS  31  -6.543  -0.114   4.695
  238    HB3  CYS  31           HB3      CYS  31  -4.805   0.254   4.783
  239    H    LYS  32           H        LYS  32  -8.081   2.280   5.193
  240    HA   LYS  32           HA       LYS  32  -6.802   4.215   3.474
  241    HB2  LYS  32           HB2      LYS  32  -9.700   4.025   4.408
  242    HB3  LYS  32           HB3      LYS  32  -8.999   5.352   3.502
  243    HG2  LYS  32           HG2      LYS  32 -10.273   3.665   2.254
  244    HG3  LYS  32           HG3      LYS  32  -8.673   4.160   1.649
  245    HD2  LYS  32           HD2      LYS  32  -7.779   2.200   2.763
  246    HD3  LYS  32           HD3      LYS  32  -9.446   1.683   3.084
  247    HE2  LYS  32           HE2      LYS  32  -8.580   0.655   0.960
  248    HE3  LYS  32           HE3      LYS  32 -10.018   1.646   0.731
  249    HZ1  LYS  32           HZ1      LYS  32  -8.494   2.234  -1.009
  250    HZ2  LYS  32           HZ2      LYS  32  -7.207   2.386   0.054
  251    HZ3  LYS  32           HZ3      LYS  32  -8.371   3.505   0.098
  252    H    LYS  33           H        LYS  33  -8.440   4.217   6.493
  253    HA   LYS  33           HA       LYS  33  -8.371   6.936   6.823
  254    HB2  LYS  33           HB2      LYS  33  -9.499   6.552   8.788
  255    HB3  LYS  33           HB3      LYS  33  -9.628   4.942   8.071
  256    HG2  LYS  33           HG2      LYS  33  -7.881   4.145   9.233
  257    HG3  LYS  33           HG3      LYS  33  -7.480   5.732   9.940
  258    HD2  LYS  33           HD2      LYS  33  -9.864   5.749  10.837
  259    HD3  LYS  33           HD3      LYS  33  -9.932   4.036  10.435
  260    HE2  LYS  33           HE2      LYS  33  -8.003   3.649  11.893
  261    HE3  LYS  33           HE3      LYS  33  -8.019   5.355  12.350
  262    HZ1  LYS  33           HZ1      LYS  33  -9.192   4.055  13.978
  263    HZ2  LYS  33           HZ2      LYS  33 -10.141   3.361  12.775
  264    HZ3  LYS  33           HZ3      LYS  33 -10.328   4.999  13.153
  265    H    THR  34           H        THR  34  -6.093   4.375   7.846
  266    HA   THR  34           HA       THR  34  -4.437   6.128   9.232
  267    HB   THR  34           HB       THR  34  -3.547   3.554   7.917
  268    HG1  THR  34           HG1      THR  34  -5.327   3.097   9.261
  269   HG21  THR  34          HG21      THR  34  -2.608   5.117  10.328
  270   HG22  THR  34          HG22      THR  34  -1.782   5.045   8.773
  271   HG23  THR  34          HG23      THR  34  -1.925   3.593   9.763
  272    H    CYS  35           H        CYS  35  -4.584   5.112   5.831
  273    HA   CYS  35           HA       CYS  35  -2.168   6.383   5.087
  274    HB2  CYS  35           HB2      CYS  35  -3.382   4.714   3.702
  275    HB3  CYS  35           HB3      CYS  35  -4.670   5.883   3.429
  276    H    PHE  36           H        PHE  36  -5.509   7.547   5.124
  277    HA   PHE  36           HA       PHE  36  -4.925  10.085   4.076
  278    HB2  PHE  36           HB2      PHE  36  -7.090   9.335   6.059
  279    HB3  PHE  36           HB3      PHE  36  -6.986  10.872   5.235
  280    HD1  PHE  36           HD1      PHE  36  -6.563  10.179   2.452
  281    HD2  PHE  36           HD2      PHE  36  -8.940   8.237   5.393
  282    HE1  PHE  36           HE1      PHE  36  -8.090   9.354   0.695
  283    HE2  PHE  36           HE2      PHE  36 -10.441   7.404   3.647
  284    HZ   PHE  36           HZ       PHE  36 -10.050   7.961   1.324
  285    H    LYS  37           H        LYS  37  -4.875   8.758   7.320
  286    HA   LYS  37           HA       LYS  37  -4.533  11.124   8.642
  287    HB2  LYS  37           HB2      LYS  37  -3.676   8.389   9.420
  288    HB3  LYS  37           HB3      LYS  37  -3.318   9.782  10.420
  289    HG2  LYS  37           HG2      LYS  37  -5.810  10.252  10.404
  290    HG3  LYS  37           HG3      LYS  37  -6.000   8.648   9.697
  291    HD2  LYS  37           HD2      LYS  37  -4.617   9.242  12.312
  292    HD3  LYS  37           HD3      LYS  37  -6.260   8.634  12.170
  293    HE2  LYS  37           HE2      LYS  37  -5.408   6.603  11.114
  294    HE3  LYS  37           HE3      LYS  37  -3.762   7.231  11.213
  295    HZ1  LYS  37           HZ1      LYS  37  -3.940   7.211  13.621
  296    HZ2  LYS  37           HZ2      LYS  37  -4.240   5.685  12.989
  297    HZ3  LYS  37           HZ3      LYS  37  -5.518   6.641  13.537
  298    H    THR  38           H        THR  38  -1.598   9.117   7.272
  299    HA   THR  38           HA       THR  38  -0.007  10.837   8.981
  300    HB   THR  38           HB       THR  38   1.169   9.503   6.641
  301    HG1  THR  38           HG1      THR  38  -0.289   8.200   8.717
  302   HG21  THR  38          HG21      THR  38   2.701   8.686   8.381
  303   HG22  THR  38          HG22      THR  38   1.672   9.391   9.622
  304   HG23  THR  38          HG23      THR  38   2.534  10.436   8.495
  305    H    GLU  39           H        GLU  39   2.144  11.610   7.182
  306    HA   GLU  39           HA       GLU  39   1.040  13.698   5.571
  307    HB2  GLU  39           HB2      GLU  39   3.841  12.635   5.539
  308    HB3  GLU  39           HB3      GLU  39   3.284  14.122   4.797
  309    HG2  GLU  39           HG2      GLU  39   2.751  14.978   7.046
  310    HG3  GLU  39           HG3      GLU  39   3.460  13.506   7.725
  311    H    TYR  40           H        TYR  40   2.496  10.813   5.099
  312    HA   TYR  40           HA       TYR  40   3.141  11.177   2.437
  313    HB2  TYR  40           HB2      TYR  40   3.203   8.543   3.913
  314    HB3  TYR  40           HB3      TYR  40   4.312   9.108   2.672
  315    HD1  TYR  40           HD1      TYR  40   5.755  11.143   3.200
  316    HD2  TYR  40           HD2      TYR  40   3.642   8.932   6.136
  317    HE1  TYR  40           HE1      TYR  40   7.184  12.096   4.960
  318    HE2  TYR  40           HE2      TYR  40   5.039   9.895   7.891
  319    HH   TYR  40           HH       TYR  40   6.754  12.564   7.467
  320    H    CYS  41           H        CYS  41   0.412   9.813   4.002
  321    HA   CYS  41           HA       CYS  41  -0.808   7.802   3.173
  322    HB2  CYS  41           HB2      CYS  41  -2.242   9.836   3.197
  323    HB3  CYS  41           HB3      CYS  41  -1.811  10.116   1.501
  324    H    TYR  42           H        TYR  42   0.710   6.378   1.926
  325    HA   TYR  42           HA       TYR  42  -0.234   6.245  -0.675
  326    HB2  TYR  42           HB2      TYR  42   1.896   6.491  -2.033
  327    HB3  TYR  42           HB3      TYR  42   1.050   7.927  -1.506
  328    HD1  TYR  42           HD1      TYR  42   3.268   6.029   0.766
  329    HD2  TYR  42           HD2      TYR  42   2.903   9.341  -1.872
  330    HE1  TYR  42           HE1      TYR  42   5.381   6.929   1.604
  331    HE2  TYR  42           HE2      TYR  42   5.008  10.252  -1.034
  332    HH   TYR  42           HH       TYR  42   6.430  10.096   0.902
  333    H    ILE  43           H        ILE  43   1.975   4.463   1.516
  334    HA   ILE  43           HA       ILE  43   1.879   2.574  -0.740
  335    HB   ILE  43           HB       ILE  43   4.032   2.386   1.398
  336   HG12  ILE  43          HG12      ILE  43   4.422   4.549   0.256
  337   HG13  ILE  43          HG13      ILE  43   5.651   3.378  -0.155
  338   HG21  ILE  43          HG21      ILE  43   3.818   1.214  -1.354
  339   HG22  ILE  43          HG22      ILE  43   3.564   0.373   0.168
  340   HG23  ILE  43          HG23      ILE  43   5.166   0.988  -0.239
  341   HD11  ILE  43          HD11      ILE  43   3.343   4.225  -1.870
  342   HD12  ILE  43          HD12      ILE  43   4.535   2.996  -2.311
  343   HD13  ILE  43          HD13      ILE  43   5.038   4.670  -2.077
  344    H    VAL  44           H        VAL  44   1.087   0.524  -0.342
  345    HA   VAL  44           HA       VAL  44   0.629  -0.145   2.449
  346    HB   VAL  44           HB       VAL  44  -1.278  -0.459   0.223
  347   HG11  VAL  44          HG11      VAL  44  -2.946  -1.209   1.954
  348   HG12  VAL  44          HG12      VAL  44  -1.647  -1.133   3.146
  349   HG13  VAL  44          HG13      VAL  44  -1.549  -2.277   1.808
  350   HG21  VAL  44          HG21      VAL  44  -1.532   1.454   2.536
  351   HG22  VAL  44          HG22      VAL  44  -2.807   1.120   1.356
  352   HG23  VAL  44          HG23      VAL  44  -1.299   1.848   0.825
  353    H    PHE  45           H        PHE  45   1.033  -2.235   2.862
  354    HA   PHE  45           HA       PHE  45   1.757  -3.987   0.608
  355    HB2  PHE  45           HB2      PHE  45   2.995  -3.738   3.366
  356    HB3  PHE  45           HB3      PHE  45   3.264  -5.127   2.330
  357    HD1  PHE  45           HD1      PHE  45   3.092  -2.554   0.074
  358    HD2  PHE  45           HD2      PHE  45   5.651  -3.947   3.182
  359    HE1  PHE  45           HE1      PHE  45   4.997  -1.461  -0.977
  360    HE2  PHE  45           HE2      PHE  45   7.539  -2.854   2.100
  361    HZ   PHE  45           HZ       PHE  45   7.204  -1.626  -0.003
  362    H    GLU  46           H        GLU  46   0.660  -5.896   0.562
  363    HA   GLU  46           HA       GLU  46  -1.038  -6.422   2.920
  364    HB2  GLU  46           HB2      GLU  46  -1.469  -7.240   0.096
  365    HB3  GLU  46           HB3      GLU  46  -2.575  -7.419   1.455
  366    HG2  GLU  46           HG2      GLU  46  -3.075  -5.137   1.445
  367    HG3  GLU  46           HG3      GLU  46  -1.700  -4.765   0.388
  368    H    ASP  47           H        ASP  47  -1.169  -8.499   3.535
  369    HA   ASP  47           HA       ASP  47   0.916 -10.330   2.591
  370    HB2  ASP  47           HB2      ASP  47   0.436  -9.959   5.058
  371    HB3  ASP  47           HB3      ASP  47  -1.142 -10.708   4.780
  372    H    THR  48           H        THR  48   0.315 -11.695   0.981
  373    HA   THR  48           HA       THR  48  -2.341 -11.691   0.015
  374    HB   THR  48           HB       THR  48  -0.230 -13.665  -0.818
  375    HG1  THR  48           HG1      THR  48   0.421 -11.866  -2.239
  376   HG21  THR  48          HG21      THR  48  -2.472 -13.735  -1.866
  377   HG22  THR  48          HG22      THR  48  -1.220 -13.260  -3.016
  378   HG23  THR  48          HG23      THR  48  -2.288 -12.042  -2.322
  379    H    VAL  49           H        VAL  49  -0.502 -13.850   2.043
  380    HA   VAL  49           HA       VAL  49  -2.274 -16.101   1.574
  381    HB   VAL  49           HB       VAL  49   0.070 -15.842   3.476
  382   HG11  VAL  49          HG11      VAL  49  -1.504 -17.541   4.249
  383   HG12  VAL  49          HG12      VAL  49  -0.034 -18.295   3.627
  384   HG13  VAL  49          HG13      VAL  49  -1.500 -18.288   2.651
  385   HG21  VAL  49          HG21      VAL  49   1.287 -17.171   1.860
  386   HG22  VAL  49          HG22      VAL  49   0.685 -15.698   1.108
  387   HG23  VAL  49          HG23      VAL  49  -0.125 -17.240   0.811
  388    H    ASN  50           H        ASN  50  -1.376 -13.981   4.137
  389    HA   ASN  50           HA       ASN  50  -3.377 -15.050   5.934
  390    HB2  ASN  50           HB2      ASN  50  -1.379 -12.827   6.181
  391    HB3  ASN  50           HB3      ASN  50  -2.454 -13.234   7.500
  392   HD21  ASN  50          HD21      ASN  50   0.301 -14.079   5.652
  393   HD22  ASN  50          HD22      ASN  50   0.848 -15.400   6.643
  394    H    LYS  51           H        LYS  51  -3.231 -12.745   3.512
  395    HA   LYS  51           HA       LYS  51  -4.706 -11.199   2.700
  396    HB2  LYS  51           HB2      LYS  51  -6.636 -12.428   4.705
  397    HB3  LYS  51           HB3      LYS  51  -7.089 -11.368   3.378
  398    HG2  LYS  51           HG2      LYS  51  -5.819 -14.088   3.069
  399    HG3  LYS  51           HG3      LYS  51  -7.539 -13.738   2.895
  400    HD2  LYS  51           HD2      LYS  51  -7.063 -12.256   1.031
  401    HD3  LYS  51           HD3      LYS  51  -5.336 -12.536   1.229
  402    HE2  LYS  51           HE2      LYS  51  -5.618 -14.884   0.687
  403    HE3  LYS  51           HE3      LYS  51  -7.363 -14.669   0.552
  404    HZ1  LYS  51           HZ1      LYS  51  -5.429 -13.170  -1.108
  405    HZ2  LYS  51           HZ2      LYS  51  -7.080 -13.290  -1.338
  406    HZ3  LYS  51           HZ3      LYS  51  -6.093 -14.626  -1.632
  407    H    GLU  52           H        GLU  52  -2.941 -10.477   4.671
  408    HA   GLU  52           HA       GLU  52  -4.423  -8.773   6.510
  409    HB2  GLU  52           HB2      GLU  52  -1.443  -9.438   6.611
  410    HB3  GLU  52           HB3      GLU  52  -2.387  -8.524   7.773
  411    HG2  GLU  52           HG2      GLU  52  -3.867 -10.473   8.095
  412    HG3  GLU  52           HG3      GLU  52  -2.728 -11.393   7.124
  413    H    CYS  53           H        CYS  53  -3.242  -6.576   7.070
  414    HA   CYS  53           HA       CYS  53  -2.586  -5.274   4.542
  415    HB2  CYS  53           HB2      CYS  53  -4.979  -4.881   5.020
  416    HB3  CYS  53           HB3      CYS  53  -4.558  -4.340   6.649
  417    H    TYR  54           H        TYR  54  -0.755  -4.199   4.755
  418    HA   TYR  54           HA       TYR  54   0.007  -3.121   7.376
  419    HB2  TYR  54           HB2      TYR  54   1.643  -4.101   5.031
  420    HB3  TYR  54           HB3      TYR  54   2.326  -3.066   6.260
  421    HD1  TYR  54           HD1      TYR  54   0.984  -6.405   5.525
  422    HD2  TYR  54           HD2      TYR  54   3.019  -3.953   8.326
  423    HE1  TYR  54           HE1      TYR  54   1.659  -8.402   6.784
  424    HE2  TYR  54           HE2      TYR  54   3.710  -5.930   9.580
  425    HH   TYR  54           HH       TYR  54   3.571  -8.977   8.332
  426    H    TYR  55           H        TYR  55   0.023  -1.043   7.287
  427    HA   TYR  55           HA       TYR  55   0.019   0.155   4.635
  428    HB2  TYR  55           HB2      TYR  55  -1.112   2.171   5.892
  429    HB3  TYR  55           HB3      TYR  55  -2.049   0.791   5.378
  430    HD1  TYR  55           HD1      TYR  55  -0.295   2.091   8.411
  431    HD2  TYR  55           HD2      TYR  55  -3.411  -0.359   6.892
  432    HE1  TYR  55           HE1      TYR  55  -1.152   1.755  10.693
  433    HE2  TYR  55           HE2      TYR  55  -4.276  -0.710   9.178
  434    HH   TYR  55           HH       TYR  55  -3.457  -0.603  11.497
  435    H    ASN  56           H        ASN  56   1.465   1.567   4.037
  436    HA   ASN  56           HA       ASN  56   3.707   1.933   5.865
  437    HB2  ASN  56           HB2      ASN  56   4.223   1.458   3.508
  438    HB3  ASN  56           HB3      ASN  56   3.247   2.879   3.074
  439   HD21  ASN  56          HD21      ASN  56   5.084   3.753   1.990
  440   HD22  ASN  56          HD22      ASN  56   6.333   4.537   2.930
  441    H    VAL  57           H        VAL  57   4.094   3.396   7.006
  442    HA   VAL  57           HA       VAL  57   2.260   5.691   6.867
  443    HB   VAL  57           HB       VAL  57   2.464   5.982   9.309
  444   HG11  VAL  57          HG11      VAL  57   0.582   4.752   8.422
  445   HG12  VAL  57          HG12      VAL  57   1.090   4.053   9.961
  446   HG13  VAL  57          HG13      VAL  57   1.524   3.262   8.446
  447   HG21  VAL  57          HG21      VAL  57   4.642   4.920   9.670
  448   HG22  VAL  57          HG22      VAL  57   3.955   3.354   9.250
  449   HG23  VAL  57          HG23      VAL  57   3.410   4.195  10.702
  450    H    VAL  58           H        VAL  58   5.304   5.006   6.154
  451    HA   VAL  58           HA       VAL  58   5.998   7.799   6.777
  452    HB   VAL  58           HB       VAL  58   8.186   5.712   6.616
  453   HG11  VAL  58          HG11      VAL  58   8.094   8.461   7.814
  454   HG12  VAL  58          HG12      VAL  58   9.125   7.877   6.488
  455   HG13  VAL  58          HG13      VAL  58   9.381   7.315   8.127
  456   HG21  VAL  58          HG21      VAL  58   8.244   5.561   9.077
  457   HG22  VAL  58          HG22      VAL  58   6.732   4.940   8.413
  458   HG23  VAL  58          HG23      VAL  58   6.777   6.539   9.155
  459    H    ASP  59           H        ASP  59   8.088   8.291   5.291
  460    HA   ASP  59           HA       ASP  59   7.010   8.249   2.710
  461    HB2  ASP  59           HB2      ASP  59   8.905   9.699   2.076
  462    HB3  ASP  59           HB3      ASP  59   8.013  10.306   3.455
  463    H    GLY  60           H        GLY  60   7.258   6.955   1.322
  464    HA2  GLY  60           HA2      GLY  60   9.613   5.381   0.929
  465    HA3  GLY  60           HA3      GLY  60   8.095   4.524   1.255
  466    H    GLU  61           H        GLU  61   8.444   7.588  -0.265
  467    HA   GLU  61           HA       GLU  61   6.759   6.926  -2.466
  468    HB2  GLU  61           HB2      GLU  61   7.397   9.175  -3.294
  469    HB3  GLU  61           HB3      GLU  61   6.866   9.204  -1.618
  470    HG2  GLU  61           HG2      GLU  61   9.229   9.191  -0.924
  471    HG3  GLU  61           HG3      GLU  61   9.703   9.340  -2.615
  472    H    GLU  62           H        GLU  62  10.050   6.725  -1.726
  473    HA   GLU  62           HA       GLU  62  10.875   6.401  -4.428
  474    HB2  GLU  62           HB2      GLU  62  12.404   5.968  -1.871
  475    HB3  GLU  62           HB3      GLU  62  13.087   5.868  -3.483
  476    HG2  GLU  62           HG2      GLU  62  12.490   8.245  -3.822
  477    HG3  GLU  62           HG3      GLU  62  11.968   8.316  -2.139
  478    H    LEU  63           H        LEU  63   9.108   4.358  -2.357
  479    HA   LEU  63           HA       LEU  63  10.682   2.009  -3.023
  480    HB2  LEU  63           HB2      LEU  63   7.745   2.008  -2.166
  481    HB3  LEU  63           HB3      LEU  63   8.876   0.673  -2.167
  482    HG   LEU  63           HG       LEU  63   9.086   3.070  -0.357
  483   HD11  LEU  63          HD11      LEU  63   8.383   1.538   1.407
  484   HD12  LEU  63          HD12      LEU  63   8.163   0.265   0.211
  485   HD13  LEU  63          HD13      LEU  63   7.148   1.706   0.162
  486   HD21  LEU  63          HD21      LEU  63  11.253   2.054  -0.856
  487   HD22  LEU  63          HD22      LEU  63  10.623   0.470  -0.409
  488   HD23  LEU  63          HD23      LEU  63  10.778   1.735   0.809
  489    H    ASP  64           H        ASP  64  10.957   1.649  -5.098
  490    HA   ASP  64           HA       ASP  64   8.711   2.039  -6.896
  491    HB2  ASP  64           HB2      ASP  64  10.859   3.163  -7.453
  492    HB3  ASP  64           HB3      ASP  64  11.579   1.565  -7.639
  493    H    GLN  65           H        GLN  65   7.929   0.503  -8.166
  494    HA   GLN  65           HA       GLN  65   7.834  -2.102  -7.050
  495    HB2  GLN  65           HB2      GLN  65   6.929  -1.208  -9.768
  496    HB3  GLN  65           HB3      GLN  65   6.390  -2.623  -8.884
  497    HG2  GLN  65           HG2      GLN  65   6.016   0.206  -8.112
  498    HG3  GLN  65           HG3      GLN  65   4.767  -0.812  -8.822
  499   HE21  GLN  65          HE21      GLN  65   6.537  -0.063  -5.968
  500   HE22  GLN  65          HE22      GLN  65   5.744  -1.140  -4.887
  501    H    GLU  66           H        GLU  66   9.695  -0.642  -9.584
  502    HA   GLU  66           HA       GLU  66  10.205  -3.198 -10.776
  503    HB2  GLU  66           HB2      GLU  66  11.069  -0.453 -11.620
  504    HB3  GLU  66           HB3      GLU  66  11.106  -1.924 -12.599
  505    HG2  GLU  66           HG2      GLU  66   8.698  -2.101 -12.499
  506    HG3  GLU  66           HG3      GLU  66   8.576  -0.680 -11.472
  507    H    LYS  67           H        LYS  67  11.658  -1.226  -8.444
  508    HA   LYS  67           HA       LYS  67  14.199  -2.654  -8.830
  509    HB2  LYS  67           HB2      LYS  67  13.604  -0.329  -6.957
  510    HB3  LYS  67           HB3      LYS  67  15.145  -1.171  -7.021
  511    HG2  LYS  67           HG2      LYS  67  15.479   0.761  -8.295
  512    HG3  LYS  67           HG3      LYS  67  15.202  -0.505  -9.490
  513    HD2  LYS  67           HD2      LYS  67  12.718   0.251  -9.357
  514    HD3  LYS  67           HD3      LYS  67  13.388   1.679  -8.588
  515    HE2  LYS  67           HE2      LYS  67  14.775   2.125 -10.527
  516    HE3  LYS  67           HE3      LYS  67  14.155   0.652 -11.291
  517    HZ1  LYS  67           HZ1      LYS  67  11.877   1.705 -11.006
  518    HZ2  LYS  67           HZ2      LYS  67  12.901   2.392 -12.176
  519    HZ3  LYS  67           HZ3      LYS  67  12.701   3.146 -10.700
  520    H    PHE  68           H        PHE  68  11.397  -2.828  -7.366
  521    HA   PHE  68           HA       PHE  68  12.121  -4.300  -5.021
  522    HB2  PHE  68           HB2      PHE  68   9.669  -3.203  -6.216
  523    HB3  PHE  68           HB3      PHE  68   9.481  -4.785  -5.448
  524    HD1  PHE  68           HD1      PHE  68  11.206  -1.536  -4.612
  525    HD2  PHE  68           HD2      PHE  68   8.705  -4.718  -3.354
  526    HE1  PHE  68           HE1      PHE  68  10.975  -0.487  -2.385
  527    HE2  PHE  68           HE2      PHE  68   8.473  -3.686  -1.145
  528    HZ   PHE  68           HZ       PHE  68   9.561  -1.628  -0.632
  529    H    VAL  69           H        VAL  69  11.600  -6.581  -4.770
  530    HA   VAL  69           HA       VAL  69  11.841  -8.062  -7.321
  531    HB   VAL  69           HB       VAL  69  12.797  -8.797  -4.533
  532   HG11  VAL  69          HG11      VAL  69  14.132 -10.541  -5.598
  533   HG12  VAL  69          HG12      VAL  69  13.477 -10.073  -7.170
  534   HG13  VAL  69          HG13      VAL  69  12.402 -10.709  -5.913
  535   HG21  VAL  69          HG21      VAL  69  14.078  -6.907  -5.202
  536   HG22  VAL  69          HG22      VAL  69  14.432  -7.632  -6.779
  537   HG23  VAL  69          HG23      VAL  69  15.093  -8.347  -5.306
  538    H    VAL  70           H        VAL  70  10.781 -10.352  -6.920
  539    HA   VAL  70           HA       VAL  70   8.288  -9.707  -5.669
  540    HB   VAL  70           HB       VAL  70   8.089 -10.635  -7.693
  541   HG11  VAL  70          HG11      VAL  70   9.554 -13.111  -6.686
  542   HG12  VAL  70          HG12      VAL  70  10.157 -11.965  -7.878
  543   HG13  VAL  70          HG13      VAL  70   8.789 -13.005  -8.273
  544   HG21  VAL  70          HG21      VAL  70   6.602 -12.648  -7.275
  545   HG22  VAL  70          HG22      VAL  70   6.295 -11.249  -6.242
  546   HG23  VAL  70          HG23      VAL  70   7.192 -12.629  -5.617
  547    H    ASP  71           H        ASP  71   7.766  -9.964  -3.685
  548    HA   ASP  71           HA       ASP  71   8.575 -12.472  -2.392
  549    HB2  ASP  71           HB2      ASP  71   8.959 -10.372  -1.084
  550    HB3  ASP  71           HB3      ASP  71   7.215 -10.063  -1.205
  551    H    GLU  72           H        GLU  72   7.353 -13.959  -2.876
  552    HA   GLU  72           HA       GLU  72   5.042 -13.794  -4.346
  553    HB2  GLU  72           HB2      GLU  72   5.764 -16.180  -2.666
  554    HB3  GLU  72           HB3      GLU  72   4.852 -16.141  -4.163
  555    HG2  GLU  72           HG2      GLU  72   6.877 -16.918  -4.901
  556    HG3  GLU  72           HG3      GLU  72   7.083 -15.187  -5.156
  557    H    ASN  73           H        ASN  73   5.294 -13.814  -0.906
  558    HA   ASN  73           HA       ASN  73   2.417 -14.353  -0.773
  559    HB2  ASN  73           HB2      ASN  73   2.574 -14.991   1.505
  560    HB3  ASN  73           HB3      ASN  73   3.962 -15.694   0.710
  561   HD21  ASN  73          HD21      ASN  73   5.417 -13.039   0.840
  562   HD22  ASN  73          HD22      ASN  73   5.872 -12.870   2.476
  563    H    PHE  74           H        PHE  74   3.861 -11.703  -1.409
  564    HA   PHE  74           HA       PHE  74   2.001 -10.121   0.163
  565    HB2  PHE  74           HB2      PHE  74   4.945  -9.778   0.073
  566    HB3  PHE  74           HB3      PHE  74   4.012  -8.296  -0.107
  567    HD1  PHE  74           HD1      PHE  74   4.253 -11.311   2.093
  568    HD2  PHE  74           HD2      PHE  74   3.287  -7.190   1.772
  569    HE1  PHE  74           HE1      PHE  74   3.819 -11.228   4.511
  570    HE2  PHE  74           HE2      PHE  74   2.850  -7.096   4.185
  571    HZ   PHE  74           HZ       PHE  74   3.075  -9.120   5.558
  572    H    THR  75           H        THR  75   1.076  -8.386  -0.815
  573    HA   THR  75           HA       THR  75   1.380  -7.992  -3.784
  574    HB   THR  75           HB       THR  75  -0.997  -7.393  -3.642
  575    HG1  THR  75           HG1      THR  75  -1.696  -6.990  -1.726
  576   HG21  THR  75          HG21      THR  75  -1.860  -9.696  -3.341
  577   HG22  THR  75          HG22      THR  75  -0.303 -10.149  -2.664
  578   HG23  THR  75          HG23      THR  75  -0.412  -9.628  -4.347
  579    H    GLU  76           H        GLU  76   1.802  -5.939  -4.480
  580    HA   GLU  76           HA       GLU  76   1.958  -4.089  -2.282
  581    HB2  GLU  76           HB2      GLU  76   4.164  -4.798  -2.863
  582    HB3  GLU  76           HB3      GLU  76   3.885  -4.424  -4.565
  583    HG2  GLU  76           HG2      GLU  76   3.970  -2.144  -4.133
  584    HG3  GLU  76           HG3      GLU  76   3.758  -2.382  -2.393
  585    H    ASN  77           H        ASN  77   0.966  -2.279  -2.464
  586    HA   ASN  77           HA       ASN  77   0.051  -1.462  -5.082
  587    HB2  ASN  77           HB2      ASN  77  -2.282  -1.367  -4.244
  588    HB3  ASN  77           HB3      ASN  77  -1.534  -2.888  -3.812
  589   HD21  ASN  77          HD21      ASN  77  -1.542  -3.613  -1.827
  590   HD22  ASN  77          HD22      ASN  77  -1.923  -2.607  -0.467
  591    H    TYR  78           H        TYR  78   0.192   0.740  -5.276
  592    HA   TYR  78           HA       TYR  78   0.547   2.251  -2.838
  593    HB2  TYR  78           HB2      TYR  78   2.610   3.327  -3.502
  594    HB3  TYR  78           HB3      TYR  78   2.791   1.596  -3.618
  595    HD1  TYR  78           HD1      TYR  78   1.932   0.892  -6.303
  596    HD2  TYR  78           HD2      TYR  78   3.966   4.371  -4.937
  597    HE1  TYR  78           HE1      TYR  78   2.956   1.174  -8.532
  598    HE2  TYR  78           HE2      TYR  78   4.969   4.671  -7.153
  599    HH   TYR  78           HH       TYR  78   3.946   3.024  -9.902
  600    H    LEU  79           H        LEU  79  -0.139   4.304  -2.832
  601    HA   LEU  79           HA       LEU  79  -2.197   5.106  -4.572
  602    HB2  LEU  79           HB2      LEU  79  -1.794   6.001  -2.256
  603    HB3  LEU  79           HB3      LEU  79  -0.436   6.907  -2.888
  604    HG   LEU  79           HG       LEU  79  -2.153   8.009  -4.460
  605   HD11  LEU  79          HD11      LEU  79  -3.962   6.533  -4.173
  606   HD12  LEU  79          HD12      LEU  79  -4.431   8.113  -3.518
  607   HD13  LEU  79          HD13      LEU  79  -3.979   6.801  -2.435
  608   HD21  LEU  79          HD21      LEU  79  -2.295   8.552  -1.506
  609   HD22  LEU  79          HD22      LEU  79  -2.808   9.648  -2.787
  610   HD23  LEU  79          HD23      LEU  79  -1.104   9.212  -2.632
  611    H    THR  80           H        THR  80  -1.901   5.539  -6.687
  612    HA   THR  80           HA       THR  80   0.446   7.124  -7.369
  613    HB   THR  80           HB       THR  80  -0.750   4.893  -9.032
  614    HG1  THR  80           HG1      THR  80   0.343   4.088  -7.237
  615   HG21  THR  80          HG21      THR  80   1.253   5.185 -10.418
  616   HG22  THR  80          HG22      THR  80   1.782   6.514  -9.386
  617   HG23  THR  80          HG23      THR  80   0.318   6.681 -10.353
  618    H    ASP  81           H        ASP  81  -0.350   9.041  -7.706
  619    HA   ASP  81           HA       ASP  81  -1.344  10.754  -8.626
  620    HB2  ASP  81           HB2      ASP  81  -1.732   8.837 -10.896
  621    HB3  ASP  81           HB3      ASP  81  -2.363  10.477 -10.979
  622    H    CYS  82           H        CYS  82  -2.681  10.350  -6.777
  623    HA   CYS  82           HA       CYS  82  -5.453  10.654  -7.679
  624    HB2  CYS  82           HB2      CYS  82  -4.501   9.106  -5.264
  625    HB3  CYS  82           HB3      CYS  82  -6.163   9.614  -5.486
  626    H    GLU  83           H        GLU  83  -3.573  10.718  -4.693
  627    HA   GLU  83           HA       GLU  83  -3.498  12.071  -2.939
  628    HB2  GLU  83           HB2      GLU  83  -2.844  13.967  -5.188
  629    HB3  GLU  83           HB3      GLU  83  -2.518  14.311  -3.498
  630    HG2  GLU  83           HG2      GLU  83  -0.478  13.545  -4.474
  631    HG3  GLU  83           HG3      GLU  83  -1.071  12.253  -3.438
  632    H    GLY  84           H        GLY  84  -6.220  11.949  -4.082
  633    HA2  GLY  84           HA2      GLY  84  -7.408  13.959  -2.449
  634    HA3  GLY  84           HA3      GLY  84  -7.718  14.138  -4.185
  635    H    LYS  85           H        LYS  85  -9.941  13.632  -2.912
  636    HA   LYS  85           HA       LYS  85 -10.206  10.730  -3.060
  637    HB2  LYS  85           HB2      LYS  85 -11.970  12.657  -1.519
  638    HB3  LYS  85           HB3      LYS  85 -12.259  10.939  -1.677
  639    HG2  LYS  85           HG2      LYS  85 -11.358  11.250   0.474
  640    HG3  LYS  85           HG3      LYS  85 -10.024  10.613  -0.484
  641    HD2  LYS  85           HD2      LYS  85  -9.125  12.878  -0.738
  642    HD3  LYS  85           HD3      LYS  85 -10.494  13.526   0.166
  643    HE2  LYS  85           HE2      LYS  85  -8.424  11.613   1.237
  644    HE3  LYS  85           HE3      LYS  85  -8.478  13.347   1.549
  645    HZ1  LYS  85           HZ1      LYS  85 -10.556  11.374   2.357
  646    HZ2  LYS  85           HZ2      LYS  85 -10.623  13.032   2.635
  647    HZ3  LYS  85           HZ3      LYS  85  -9.443  12.107   3.381
  648    H    ASP  86           H        ASP  86 -12.664  13.226  -3.168
  649    HA   ASP  86           HA       ASP  86 -14.484  13.547  -4.431
  650    HB2  ASP  86           HB2      ASP  86 -12.917  14.422  -6.100
  651    HB3  ASP  86           HB3      ASP  86 -12.634  12.803  -6.722
  652    H    ALA  87           H        ALA  87 -13.261  10.974  -6.408
  653    HA   ALA  87           HA       ALA  87 -15.392   9.218  -5.457
  654    HB1  ALA  87           HB1      ALA  87 -14.361   9.515  -8.294
  655    HB2  ALA  87           HB2      ALA  87 -15.960   9.996  -7.728
  656    HB3  ALA  87           HB3      ALA  87 -15.513   8.289  -7.762
  657    H    GLY  88           H        GLY  88 -14.152   8.026  -4.147
  658    HA2  GLY  88           HA2      GLY  88 -11.539   7.186  -5.183
  659    HA3  GLY  88           HA3      GLY  88 -11.829   7.582  -3.498
  660    H    ASN  89           H        ASN  89 -11.768   5.197  -5.818
  661    HA   ASN  89           HA       ASN  89 -12.241   3.166  -3.874
  662    HB2  ASN  89           HB2      ASN  89 -14.559   3.487  -4.570
  663    HB3  ASN  89           HB3      ASN  89 -14.088   3.442  -6.266
  664   HD21  ASN  89          HD21      ASN  89 -14.555   1.554  -3.396
  665   HD22  ASN  89          HD22      ASN  89 -14.512   0.006  -4.207
  666    H    ALA  90           H        ALA  90 -10.730   1.716  -4.291
  667    HA   ALA  90           HA       ALA  90 -10.196   1.077  -7.052
  668    HB1  ALA  90           HB1      ALA  90  -8.570   2.851  -6.586
  669    HB2  ALA  90           HB2      ALA  90  -7.768   1.309  -6.894
  670    HB3  ALA  90           HB3      ALA  90  -7.930   1.907  -5.241
  671    H    ALA  91           H        ALA  91 -10.835  -0.932  -6.897
  672    HA   ALA  91           HA       ALA  91  -9.769  -2.582  -4.766
  673    HB1  ALA  91           HB1      ALA  91 -11.379  -4.266  -5.483
  674    HB2  ALA  91           HB2      ALA  91 -11.854  -3.246  -6.844
  675    HB3  ALA  91           HB3      ALA  91 -12.178  -2.722  -5.190
  676    H    GLY  92           H        GLY  92  -7.676  -2.555  -5.519
  677    HA2  GLY  92           HA2      GLY  92  -7.210  -4.527  -7.655
  678    HA3  GLY  92           HA3      GLY  92  -6.336  -3.000  -7.670
  679    H    THR  93           H        THR  93  -6.866  -3.971  -4.519
  680    HA   THR  93           HA       THR  93  -4.094  -4.273  -4.106
  681    HB   THR  93           HB       THR  93  -4.955  -4.676  -1.718
  682    HG1  THR  93           HG1      THR  93  -6.993  -5.137  -1.688
  683   HG21  THR  93          HG21      THR  93  -4.212  -2.490  -2.505
  684   HG22  THR  93          HG22      THR  93  -5.615  -2.337  -1.448
  685   HG23  THR  93          HG23      THR  93  -5.808  -2.189  -3.196
  686    H    GLY  94           H        GLY  94  -2.900  -6.237  -4.305
  687    HA2  GLY  94           HA2      GLY  94  -2.579  -8.392  -4.731
  688    HA3  GLY  94           HA3      GLY  94  -3.855  -8.701  -3.560
  689    H    ASP  95           H        ASP  95  -4.618  -6.942  -6.457
  690    HA   ASP  95           HA       ASP  95  -6.351  -9.148  -7.229
  691    HB2  ASP  95           HB2      ASP  95  -7.340  -6.933  -7.198
  692    HB3  ASP  95           HB3      ASP  95  -6.123  -6.343  -8.322
  693    H    GLU  96           H        GLU  96  -3.521  -7.547  -8.436
  694    HA   GLU  96           HA       GLU  96  -3.605  -8.996 -10.960
  695    HB2  GLU  96           HB2      GLU  96  -2.758  -6.519 -10.493
  696    HB3  GLU  96           HB3      GLU  96  -1.282  -7.331 -10.019
  697    HG2  GLU  96           HG2      GLU  96  -2.555  -7.548 -12.753
  698    HG3  GLU  96           HG3      GLU  96  -1.265  -6.435 -12.340
  699    H    SER  97           H        SER  97  -2.031 -10.469 -11.552
  700    HA   SER  97           HA       SER  97  -0.665 -12.170 -11.447
  701    HB2  SER  97           HB2      SER  97   0.211 -11.204  -8.712
  702    HB3  SER  97           HB3      SER  97   1.061 -12.369  -9.734
  703    HG   SER  97           HG       SER  97   0.503 -10.015 -11.030
  704    H    ASP  98           H        ASP  98  -2.170 -13.665 -11.575
  705    HA   ASP  98           HA       ASP  98  -3.435 -14.788  -9.177
  706    HB2  ASP  98           HB2      ASP  98  -3.744 -15.563 -12.098
  707    HB3  ASP  98           HB3      ASP  98  -4.716 -16.156 -10.771
  708    H    GLU  99           H        GLU  99  -2.348 -16.500  -8.191
  709    HA   GLU  99           HA       GLU  99  -0.692 -18.113  -9.968
  710    HB2  GLU  99           HB2      GLU  99   0.697 -17.206  -8.251
  711    HB3  GLU  99           HB3      GLU  99  -0.458 -17.660  -7.003
  712    HG2  GLU  99           HG2      GLU  99   0.011 -19.996  -7.367
  713    HG3  GLU  99           HG3      GLU  99   1.085 -19.605  -8.701
  714    H    VAL 100           H        VAL 100  -2.536 -18.657  -6.961
  715    HA   VAL 100           HA       VAL 100  -2.999 -21.364  -7.908
  716    HB   VAL 100           HB       VAL 100  -3.886 -20.120  -5.289
  717   HG11  VAL 100          HG11      VAL 100  -5.203 -22.074  -5.884
  718   HG12  VAL 100          HG12      VAL 100  -4.146 -22.440  -4.519
  719   HG13  VAL 100          HG13      VAL 100  -3.729 -23.011  -6.133
  720   HG21  VAL 100          HG21      VAL 100  -1.982 -21.313  -4.273
  721   HG22  VAL 100          HG22      VAL 100  -1.456 -20.103  -5.445
  722   HG23  VAL 100          HG23      VAL 100  -1.455 -21.812  -5.879
  723    H    ASP 101           H        ASP 101  -5.098 -18.890  -6.476
  724    HA   ASP 101           HA       ASP 101  -7.188 -19.803  -8.357
  725    HB2  ASP 101           HB2      ASP 101  -7.830 -20.300  -6.031
  726    HB3  ASP 101           HB3      ASP 101  -7.586 -18.622  -5.579
  727    H    GLU 102           H        GLU 102  -7.307 -16.925  -6.348
  728    HA   GLU 102           HA       GLU 102  -6.972 -15.287  -8.764
  729    HB2  GLU 102           HB2      GLU 102  -9.170 -15.114  -7.501
  730    HB3  GLU 102           HB3      GLU 102  -8.265 -14.540  -6.111
  731    HG2  GLU 102           HG2      GLU 102  -7.571 -12.567  -7.370
  732    HG3  GLU 102           HG3      GLU 102  -8.440 -13.161  -8.782
  733    H    ASP 103           H        ASP 103  -5.446 -16.553  -6.216
  734    HA   ASP 103           HA       ASP 103  -3.191 -14.925  -6.481
  735    HB2  ASP 103           HB2      ASP 103  -2.824 -14.519  -4.118
  736    HB3  ASP 103           HB3      ASP 103  -4.411 -13.869  -4.466
  Start of MODEL    2
    1    H1   GLU   1           H1       GLU   1 -16.577   5.824   5.017
    2    H2   GLU   1           H2       GLU   1 -17.375   5.822   3.533
    3    H3   GLU   1           H3       GLU   1 -18.246   5.899   4.954
    4    HA   GLU   1           HA       GLU   1 -18.162   8.037   3.891
    5    HB2  GLU   1           HB2      GLU   1 -16.593   7.860   6.461
    6    HB3  GLU   1           HB3      GLU   1 -17.264   9.340   5.804
    7    HG2  GLU   1           HG2      GLU   1 -18.792   6.926   6.728
    8    HG3  GLU   1           HG3      GLU   1 -18.718   8.508   7.507
    9    H    GLU   2           H        GLU   2 -15.000   6.541   4.230
   10    HA   GLU   2           HA       GLU   2 -13.729   8.954   3.230
   11    HB2  GLU   2           HB2      GLU   2 -12.611   6.471   4.539
   12    HB3  GLU   2           HB3      GLU   2 -11.647   7.841   3.985
   13    HG2  GLU   2           HG2      GLU   2 -12.499   9.268   5.602
   14    HG3  GLU   2           HG3      GLU   2 -13.893   8.241   5.917
   15    H    ARG   3           H        ARG   3 -14.028   5.481   2.682
   16    HA   ARG   3           HA       ARG   3 -14.151   4.236   0.841
   17    HB2  ARG   3           HB2      ARG   3 -14.041   6.862  -0.560
   18    HB3  ARG   3           HB3      ARG   3 -14.242   5.352  -1.476
   19    HG2  ARG   3           HG2      ARG   3 -16.448   5.887  -1.289
   20    HG3  ARG   3           HG3      ARG   3 -16.287   5.288   0.355
   21    HD2  ARG   3           HD2      ARG   3 -17.352   7.429   0.472
   22    HD3  ARG   3           HD3      ARG   3 -15.703   7.631   1.062
   23    HE   ARG   3           HE       ARG   3 -15.889   8.187  -1.712
   24   HH11  ARG   3          HH11      ARG   3 -16.399   9.715   1.482
   25   HH12  ARG   3          HH12      ARG   3 -16.571  11.266   0.829
   26   HH21  ARG   3          HH21      ARG   3 -16.104  10.359  -2.538
   27   HH22  ARG   3          HH22      ARG   3 -16.397  11.653  -1.466
   28    H    GLU   4           H        GLU   4 -12.594   2.893   0.188
   29    HA   GLU   4           HA       GLU   4  -9.901   3.566   0.493
   30    HB2  GLU   4           HB2      GLU   4  -9.991   1.399  -1.318
   31    HB3  GLU   4           HB3      GLU   4  -9.538   1.359   0.358
   32    HG2  GLU   4           HG2      GLU   4 -11.206  -0.227   0.182
   33    HG3  GLU   4           HG3      GLU   4 -12.066   1.172   0.790
   34    H    ASP   5           H        ASP   5  -8.754   4.695  -0.562
   35    HA   ASP   5           HA       ASP   5  -9.474   5.965  -3.023
   36    HB2  ASP   5           HB2      ASP   5  -7.898   6.699  -1.049
   37    HB3  ASP   5           HB3      ASP   5  -6.644   6.078  -2.137
   38    H    CYS   6           H        CYS   6  -7.344   6.226  -4.583
   39    HA   CYS   6           HA       CYS   6  -7.566   3.640  -5.850
   40    HB2  CYS   6           HB2      CYS   6  -6.194   5.896  -7.193
   41    HB3  CYS   6           HB3      CYS   6  -7.138   4.581  -7.905
   42    H    TRP   7           H        TRP   7  -6.027   2.270  -5.439
   43    HA   TRP   7           HA       TRP   7  -3.363   3.380  -5.296
   44    HB2  TRP   7           HB2      TRP   7  -4.110   0.540  -4.385
   45    HB3  TRP   7           HB3      TRP   7  -2.688   1.490  -4.023
   46    HD1  TRP   7           HD1      TRP   7  -5.008   4.008  -3.413
   47    HE1  TRP   7           HE1      TRP   7  -5.965   4.054  -1.173
   48    HE3  TRP   7           HE3      TRP   7  -3.604  -0.647  -2.046
   49    HZ2  TRP   7           HZ2      TRP   7  -5.993   2.234   1.199
   50    HZ3  TRP   7           HZ3      TRP   7  -4.097  -1.411   0.220
   51    HH2  TRP   7           HH2      TRP   7  -5.269   0.015   1.788
   52    H    THR   8           H        THR   8  -1.959   2.767  -6.747
   53    HA   THR   8           HA       THR   8  -3.103   1.404  -9.044
   54    HB   THR   8           HB       THR   8  -0.681   3.195  -8.731
   55    HG1  THR   8           HG1      THR   8  -3.314   3.559  -9.687
   56   HG21  THR   8          HG21      THR   8  -0.466   1.613 -10.641
   57   HG22  THR   8          HG22      THR   8  -0.654   3.280 -11.187
   58   HG23  THR   8          HG23      THR   8  -2.024   2.176 -11.252
   59    H    PHE   9           H        PHE   9  -2.340  -0.454  -9.673
   60    HA   PHE   9           HA       PHE   9  -0.623  -1.748  -7.780
   61    HB2  PHE   9           HB2      PHE   9  -2.896  -2.632  -8.675
   62    HB3  PHE   9           HB3      PHE   9  -1.909  -3.171 -10.059
   63    HD1  PHE   9           HD1      PHE   9  -1.881  -3.018  -6.507
   64    HD2  PHE   9           HD2      PHE   9  -0.880  -5.265  -9.887
   65    HE1  PHE   9           HE1      PHE   9  -1.027  -4.757  -5.033
   66    HE2  PHE   9           HE2      PHE   9  -0.011  -7.076  -8.434
   67    HZ   PHE   9           HZ       PHE   9  -0.083  -6.786  -5.969
   68    H    TYR  10           H        TYR  10   1.389  -2.161  -8.152
   69    HA   TYR  10           HA       TYR  10   2.323  -1.829 -10.870
   70    HB2  TYR  10           HB2      TYR  10   3.591  -0.774  -8.916
   71    HB3  TYR  10           HB3      TYR  10   4.059  -2.406  -8.447
   72    HD1  TYR  10           HD1      TYR  10   4.246   0.033 -11.255
   73    HD2  TYR  10           HD2      TYR  10   5.947  -3.434  -9.460
   74    HE1  TYR  10           HE1      TYR  10   6.094   0.114 -12.860
   75    HE2  TYR  10           HE2      TYR  10   7.798  -3.350 -11.061
   76    HH   TYR  10           HH       TYR  10   8.387  -0.676 -13.057
   77    H    ALA  11           H        ALA  11   2.689  -4.285  -8.228
   78    HA   ALA  11           HA       ALA  11   1.922  -6.460  -9.709
   79    HB1  ALA  11           HB1      ALA  11   3.945  -6.134 -11.059
   80    HB2  ALA  11           HB2      ALA  11   4.120  -7.576 -10.064
   81    HB3  ALA  11           HB3      ALA  11   4.942  -6.082  -9.610
   82    H    ASN  12           H        ASN  12   2.366  -8.470  -8.361
   83    HA   ASN  12           HA       ASN  12   2.525  -7.683  -5.562
   84    HB2  ASN  12           HB2      ASN  12   2.147 -10.307  -7.011
   85    HB3  ASN  12           HB3      ASN  12   2.410 -10.237  -5.258
   86   HD21  ASN  12          HD21      ASN  12   0.292  -9.254  -7.818
   87   HD22  ASN  12          HD22      ASN  12  -1.164  -9.220  -6.848
   88    H    ARG  13           H        ARG  13   4.325  -7.532  -4.571
   89    HA   ARG  13           HA       ARG  13   6.644  -9.096  -5.136
   90    HB2  ARG  13           HB2      ARG  13   8.057  -7.100  -5.715
   91    HB3  ARG  13           HB3      ARG  13   6.875  -7.532  -6.942
   92    HG2  ARG  13           HG2      ARG  13   5.447  -5.766  -5.493
   93    HG3  ARG  13           HG3      ARG  13   7.072  -5.119  -5.278
   94    HD2  ARG  13           HD2      ARG  13   5.842  -5.802  -7.929
   95    HD3  ARG  13           HD3      ARG  13   5.822  -4.189  -7.227
   96    HE   ARG  13           HE       ARG  13   8.194  -4.150  -7.422
   97   HH11  ARG  13          HH11      ARG  13   6.709  -6.858  -9.269
   98   HH12  ARG  13          HH12      ARG  13   7.869  -6.773 -10.490
   99   HH21  ARG  13          HH21      ARG  13   9.711  -4.112  -9.156
  100   HH22  ARG  13          HH22      ARG  13   9.610  -5.198 -10.465
  101    H    LYS  14           H        LYS  14   8.469  -8.502  -3.596
  102    HA   LYS  14           HA       LYS  14   8.224  -6.334  -1.856
  103    HB2  LYS  14           HB2      LYS  14   6.983  -8.547  -0.757
  104    HB3  LYS  14           HB3      LYS  14   8.577  -8.531  -0.009
  105    HG2  LYS  14           HG2      LYS  14   7.324  -7.186   1.503
  106    HG3  LYS  14           HG3      LYS  14   7.972  -5.949   0.390
  107    HD2  LYS  14           HD2      LYS  14   5.546  -7.211  -0.474
  108    HD3  LYS  14           HD3      LYS  14   5.374  -6.171   0.967
  109    HE2  LYS  14           HE2      LYS  14   6.175  -4.325  -0.199
  110    HE3  LYS  14           HE3      LYS  14   6.868  -5.279  -1.490
  111    HZ1  LYS  14           HZ1      LYS  14   5.082  -4.231  -2.218
  112    HZ2  LYS  14           HZ2      LYS  14   3.986  -4.816  -1.026
  113    HZ3  LYS  14           HZ3      LYS  14   4.725  -5.879  -2.169
  114    H    TYR  15           H        TYR  15   9.979  -5.692  -0.910
  115    HA   TYR  15           HA       TYR  15  12.330  -6.401  -2.369
  116    HB2  TYR  15           HB2      TYR  15  11.534  -4.099  -1.840
  117    HB3  TYR  15           HB3      TYR  15  11.872  -4.405  -0.152
  118    HD1  TYR  15           HD1      TYR  15  13.336  -3.787  -3.454
  119    HD2  TYR  15           HD2      TYR  15  14.119  -4.252   0.682
  120    HE1  TYR  15           HE1      TYR  15  15.579  -2.837  -3.789
  121    HE2  TYR  15           HE2      TYR  15  16.385  -3.306   0.368
  122    HH   TYR  15           HH       TYR  15  18.004  -3.097  -1.534
  123    H    THR  16           H        THR  16  11.110  -8.021   0.068
  124    HA   THR  16           HA       THR  16  11.677  -9.110   1.876
  125    HB   THR  16           HB       THR  16  13.962 -10.237   1.956
  126    HG1  THR  16           HG1      THR  16  14.570  -8.297   0.261
  127   HG21  THR  16          HG21      THR  16  12.512 -10.393  -0.686
  128   HG22  THR  16          HG22      THR  16  12.094 -11.287   0.776
  129   HG23  THR  16          HG23      THR  16  13.617 -11.612  -0.052
  130    H    ASP  17           H        ASP  17  11.188  -6.974   2.730
  131    HA   ASP  17           HA       ASP  17  12.841  -6.337   4.921
  132    HB2  ASP  17           HB2      ASP  17  14.207  -5.215   3.166
  133    HB3  ASP  17           HB3      ASP  17  12.796  -4.277   2.692
  134    H    PHE  18           H        PHE  18  11.454  -5.572   6.389
  135    HA   PHE  18           HA       PHE  18   9.260  -3.837   5.515
  136    HB2  PHE  18           HB2      PHE  18   9.154  -6.071   7.555
  137    HB3  PHE  18           HB3      PHE  18   7.953  -4.787   7.508
  138    HD1  PHE  18           HD1      PHE  18   6.929  -4.382   5.135
  139    HD2  PHE  18           HD2      PHE  18   8.680  -8.034   6.401
  140    HE1  PHE  18           HE1      PHE  18   5.647  -5.573   3.421
  141    HE2  PHE  18           HE2      PHE  18   7.402  -9.236   4.679
  142    HZ   PHE  18           HZ       PHE  18   5.869  -7.969   3.182
  143    H    ASP  19           H        ASP  19  11.955  -3.329   6.448
  144    HA   ASP  19           HA       ASP  19  11.825  -2.451   9.200
  145    HB2  ASP  19           HB2      ASP  19  13.887  -3.390   8.182
  146    HB3  ASP  19           HB3      ASP  19  13.968  -1.993   7.119
  147    H    LYS  20           H        LYS  20  11.157  -1.267   6.177
  148    HA   LYS  20           HA       LYS  20  11.748   1.453   6.198
  149    HB2  LYS  20           HB2      LYS  20   9.454   0.092   4.806
  150    HB3  LYS  20           HB3      LYS  20  10.118   1.664   4.402
  151    HG2  LYS  20           HG2      LYS  20  11.596  -0.955   4.225
  152    HG3  LYS  20           HG3      LYS  20  10.880  -0.084   2.869
  153    HD2  LYS  20           HD2      LYS  20  12.368   1.800   3.289
  154    HD3  LYS  20           HD3      LYS  20  13.065   0.958   4.670
  155    HE2  LYS  20           HE2      LYS  20  13.868  -0.812   3.202
  156    HE3  LYS  20           HE3      LYS  20  13.139  -0.004   1.815
  157    HZ1  LYS  20           HZ1      LYS  20  15.493   0.461   1.963
  158    HZ2  LYS  20           HZ2      LYS  20  15.313   1.112   3.507
  159    HZ3  LYS  20           HZ3      LYS  20  14.614   1.865   2.173
  160    H    SER  21           H        SER  21   9.655   0.061   8.326
  161    HA   SER  21           HA       SER  21   8.310   0.805   9.886
  162    HB2  SER  21           HB2      SER  21   8.808   3.554   8.790
  163    HB3  SER  21           HB3      SER  21   7.923   3.215  10.279
  164    HG   SER  21           HG       SER  21  10.602   2.436   9.723
  165    H    PHE  22           H        PHE  22   6.721  -0.334   9.311
  166    HA   PHE  22           HA       PHE  22   4.505   0.974   7.876
  167    HB2  PHE  22           HB2      PHE  22   5.234  -1.958   7.915
  168    HB3  PHE  22           HB3      PHE  22   3.838  -1.236   7.107
  169    HD1  PHE  22           HD1      PHE  22   5.613   1.186   6.213
  170    HD2  PHE  22           HD2      PHE  22   5.913  -2.988   5.925
  171    HE1  PHE  22           HE1      PHE  22   6.805   1.512   4.226
  172    HE2  PHE  22           HE2      PHE  22   7.227  -2.755   3.841
  173    HZ   PHE  22           HZ       PHE  22   7.685  -0.553   2.942
  174    H    LYS  23           H        LYS  23   2.486   0.369   8.772
  175    HA   LYS  23           HA       LYS  23   2.724  -0.938  11.380
  176    HB2  LYS  23           HB2      LYS  23   0.719   1.172  10.542
  177    HB3  LYS  23           HB3      LYS  23   0.684   0.317  12.074
  178    HG2  LYS  23           HG2      LYS  23   2.852   2.191  11.120
  179    HG3  LYS  23           HG3      LYS  23   1.641   2.529  12.356
  180    HD2  LYS  23           HD2      LYS  23   2.564   0.727  13.749
  181    HD3  LYS  23           HD3      LYS  23   3.770   0.395  12.504
  182    HE2  LYS  23           HE2      LYS  23   4.643   2.681  12.793
  183    HE3  LYS  23           HE3      LYS  23   3.483   2.936  14.093
  184    HZ1  LYS  23           HZ1      LYS  23   4.541   1.056  15.291
  185    HZ2  LYS  23           HZ2      LYS  23   5.621   2.317  14.993
  186    HZ3  LYS  23           HZ3      LYS  23   5.681   0.939  14.063
  187    H    LYS  24           H        LYS  24   1.277  -2.521  11.896
  188    HA   LYS  24           HA       LYS  24  -0.326  -3.463   9.650
  189    HB2  LYS  24           HB2      LYS  24   1.371  -4.907   9.467
  190    HB3  LYS  24           HB3      LYS  24   1.784  -4.924  11.199
  191    HG2  LYS  24           HG2      LYS  24  -0.341  -6.289  11.457
  192    HG3  LYS  24           HG3      LYS  24  -0.402  -6.361   9.692
  193    HD2  LYS  24           HD2      LYS  24   1.762  -7.446   9.634
  194    HD3  LYS  24           HD3      LYS  24   1.923  -7.282  11.381
  195    HE2  LYS  24           HE2      LYS  24  -0.192  -8.887   9.948
  196    HE3  LYS  24           HE3      LYS  24   1.251  -9.544  10.716
  197    HZ1  LYS  24           HZ1      LYS  24   0.451  -8.773  12.843
  198    HZ2  LYS  24           HZ2      LYS  24  -0.710  -9.736  12.111
  199    HZ3  LYS  24           HZ3      LYS  24  -0.908  -8.065  12.142
  200    H    SER  25           H        SER  25  -2.293  -3.475  10.170
  201    HA   SER  25           HA       SER  25  -3.249  -5.131  12.290
  202    HB2  SER  25           HB2      SER  25  -3.289  -2.753  13.234
  203    HB3  SER  25           HB3      SER  25  -4.263  -2.277  11.850
  204    HG   SER  25           HG       SER  25  -5.966  -3.137  12.727
  205    H    SER  26           H        SER  26  -4.906  -6.354  11.123
  206    HA   SER  26           HA       SER  26  -5.252  -5.325   8.438
  207    HB2  SER  26           HB2      SER  26  -6.400  -7.852   9.665
  208    HB3  SER  26           HB3      SER  26  -6.217  -7.492   7.947
  209    HG   SER  26           HG       SER  26  -4.550  -8.852   8.996
  210    H    ASP  27           H        ASP  27  -6.439  -3.616   8.602
  211    HA   ASP  27           HA       ASP  27  -9.329  -3.856   9.197
  212    HB2  ASP  27           HB2      ASP  27  -7.558  -1.509   9.793
  213    HB3  ASP  27           HB3      ASP  27  -9.309  -1.562   9.890
  214    H    LEU  28           H        LEU  28 -10.164  -3.902   7.285
  215    HA   LEU  28           HA       LEU  28  -8.856  -2.632   5.108
  216    HB2  LEU  28           HB2      LEU  28 -10.563  -4.544   4.984
  217    HB3  LEU  28           HB3      LEU  28 -11.801  -3.351   5.282
  218    HG   LEU  28           HG       LEU  28  -9.996  -3.309   2.845
  219   HD11  LEU  28          HD11      LEU  28 -12.772  -4.437   3.146
  220   HD12  LEU  28          HD12      LEU  28 -11.294  -5.356   2.863
  221   HD13  LEU  28          HD13      LEU  28 -11.894  -4.251   1.628
  222   HD21  LEU  28          HD21      LEU  28 -11.054  -1.154   3.373
  223   HD22  LEU  28          HD22      LEU  28 -12.635  -1.933   3.400
  224   HD23  LEU  28          HD23      LEU  28 -11.720  -1.848   1.893
  225    H    ASP  29           H        ASP  29 -11.604  -1.626   7.132
  226    HA   ASP  29           HA       ASP  29 -12.014   0.888   5.899
  227    HB2  ASP  29           HB2      ASP  29 -12.317   0.097   8.759
  228    HB3  ASP  29           HB3      ASP  29 -12.967   1.583   8.091
  229    H    GLU  30           H        GLU  30 -10.167  -0.116   8.715
  230    HA   GLU  30           HA       GLU  30  -9.350   2.496   9.180
  231    HB2  GLU  30           HB2      GLU  30  -8.573   0.056  10.742
  232    HB3  GLU  30           HB3      GLU  30  -7.963   1.667  11.093
  233    HG2  GLU  30           HG2      GLU  30 -10.193   2.508  11.439
  234    HG3  GLU  30           HG3      GLU  30 -10.884   0.964  10.965
  235    H    CYS  31           H        CYS  31  -7.647  -0.055   7.681
  236    HA   CYS  31           HA       CYS  31  -5.134   1.282   7.670
  237    HB2  CYS  31           HB2      CYS  31  -6.330  -0.696   5.725
  238    HB3  CYS  31           HB3      CYS  31  -4.688  -0.043   5.526
  239    H    LYS  32           H        LYS  32  -7.785   1.477   5.484
  240    HA   LYS  32           HA       LYS  32  -6.338   2.986   3.565
  241    HB2  LYS  32           HB2      LYS  32  -9.395   2.685   3.801
  242    HB3  LYS  32           HB3      LYS  32  -8.522   3.500   2.580
  243    HG2  LYS  32           HG2      LYS  32  -9.347   1.070   2.212
  244    HG3  LYS  32           HG3      LYS  32  -7.847   1.638   1.476
  245    HD2  LYS  32           HD2      LYS  32  -6.665   0.562   3.426
  246    HD3  LYS  32           HD3      LYS  32  -8.256  -0.012   3.936
  247    HE2  LYS  32           HE2      LYS  32  -8.607  -1.397   2.103
  248    HE3  LYS  32           HE3      LYS  32  -7.306  -0.679   1.163
  249    HZ1  LYS  32           HZ1      LYS  32  -5.684  -1.878   2.459
  250    HZ2  LYS  32           HZ2      LYS  32  -6.869  -2.942   2.037
  251    HZ3  LYS  32           HZ3      LYS  32  -6.811  -2.381   3.602
  252    H    LYS  33           H        LYS  33  -8.510   3.597   6.158
  253    HA   LYS  33           HA       LYS  33  -8.690   6.325   5.787
  254    HB2  LYS  33           HB2      LYS  33 -10.065   6.305   7.633
  255    HB3  LYS  33           HB3      LYS  33  -9.987   4.566   7.345
  256    HG2  LYS  33           HG2      LYS  33  -8.304   4.302   8.872
  257    HG3  LYS  33           HG3      LYS  33  -8.230   6.046   9.218
  258    HD2  LYS  33           HD2      LYS  33 -10.505   4.081   9.817
  259    HD3  LYS  33           HD3      LYS  33  -9.531   4.929  11.013
  260    HE2  LYS  33           HE2      LYS  33 -11.582   6.121   9.131
  261    HE3  LYS  33           HE3      LYS  33 -11.724   5.921  10.872
  262    HZ1  LYS  33           HZ1      LYS  33 -11.204   8.158  10.402
  263    HZ2  LYS  33           HZ2      LYS  33  -9.887   7.738   9.430
  264    HZ3  LYS  33           HZ3      LYS  33  -9.833   7.474  11.098
  265    H    THR  34           H        THR  34  -6.377   4.308   7.760
  266    HA   THR  34           HA       THR  34  -5.106   6.462   8.963
  267    HB   THR  34           HB       THR  34  -3.917   3.726   8.348
  268    HG1  THR  34           HG1      THR  34  -5.372   3.076   9.793
  269   HG21  THR  34          HG21      THR  34  -2.280   5.434   9.048
  270   HG22  THR  34          HG22      THR  34  -2.502   4.212  10.301
  271   HG23  THR  34          HG23      THR  34  -3.267   5.792  10.466
  272    H    CYS  35           H        CYS  35  -4.536   4.712   5.920
  273    HA   CYS  35           HA       CYS  35  -2.323   6.223   5.462
  274    HB2  CYS  35           HB2      CYS  35  -3.757   4.318   3.808
  275    HB3  CYS  35           HB3      CYS  35  -2.920   5.570   2.869
  276    H    PHE  36           H        PHE  36  -5.581   6.998   4.626
  277    HA   PHE  36           HA       PHE  36  -4.949   9.249   3.021
  278    HB2  PHE  36           HB2      PHE  36  -7.325   9.069   4.885
  279    HB3  PHE  36           HB3      PHE  36  -7.179  10.060   3.448
  280    HD1  PHE  36           HD1      PHE  36  -5.963   7.732   1.748
  281    HD2  PHE  36           HD2      PHE  36  -9.368   8.106   4.268
  282    HE1  PHE  36           HE1      PHE  36  -7.084   5.960   0.498
  283    HE2  PHE  36           HE2      PHE  36 -10.495   6.332   3.005
  284    HZ   PHE  36           HZ       PHE  36  -9.373   5.270   1.132
  285    H    LYS  37           H        LYS  37  -5.240   8.684   6.476
  286    HA   LYS  37           HA       LYS  37  -5.269  11.311   7.241
  287    HB2  LYS  37           HB2      LYS  37  -4.517   8.855   8.723
  288    HB3  LYS  37           HB3      LYS  37  -4.406  10.436   9.468
  289    HG2  LYS  37           HG2      LYS  37  -6.903   9.157   8.342
  290    HG3  LYS  37           HG3      LYS  37  -6.478   9.337  10.045
  291    HD2  LYS  37           HD2      LYS  37  -7.020  11.598   8.106
  292    HD3  LYS  37           HD3      LYS  37  -8.109  11.020   9.356
  293    HE2  LYS  37           HE2      LYS  37  -6.528  11.695  11.087
  294    HE3  LYS  37           HE3      LYS  37  -5.375  12.197   9.853
  295    HZ1  LYS  37           HZ1      LYS  37  -8.041  13.423  10.327
  296    HZ2  LYS  37           HZ2      LYS  37  -6.965  13.881   9.120
  297    HZ3  LYS  37           HZ3      LYS  37  -6.563  14.075  10.736
  298    H    THR  38           H        THR  38  -2.031   9.357   6.975
  299    HA   THR  38           HA       THR  38  -0.847  11.694   8.305
  300    HB   THR  38           HB       THR  38   0.692   9.814   6.534
  301    HG1  THR  38           HG1      THR  38  -1.044   9.179   8.550
  302   HG21  THR  38          HG21      THR  38   1.930  11.467   7.871
  303   HG22  THR  38          HG22      THR  38   2.259   9.832   8.431
  304   HG23  THR  38          HG23      THR  38   1.160  10.865   9.342
  305    H    GLU  39           H        GLU  39   1.413  12.527   6.495
  306    HA   GLU  39           HA       GLU  39   0.328  13.083   3.903
  307    HB2  GLU  39           HB2      GLU  39   3.157  13.336   4.893
  308    HB3  GLU  39           HB3      GLU  39   2.584  13.865   3.318
  309    HG2  GLU  39           HG2      GLU  39   1.145  15.487   4.314
  310    HG3  GLU  39           HG3      GLU  39   1.528  14.904   5.931
  311    H    TYR  40           H        TYR  40   2.538  11.099   5.242
  312    HA   TYR  40           HA       TYR  40   3.776  10.072   2.996
  313    HB2  TYR  40           HB2      TYR  40   3.901   8.976   5.774
  314    HB3  TYR  40           HB3      TYR  40   5.023   8.708   4.438
  315    HD1  TYR  40           HD1      TYR  40   6.053  10.919   3.411
  316    HD2  TYR  40           HD2      TYR  40   4.427  10.584   7.321
  317    HE1  TYR  40           HE1      TYR  40   7.343  12.884   4.111
  318    HE2  TYR  40           HE2      TYR  40   5.708  12.545   8.032
  319    HH   TYR  40           HH       TYR  40   7.236  14.597   5.831
  320    H    CYS  41           H        CYS  41   1.064   9.029   4.658
  321    HA   CYS  41           HA       CYS  41   1.621   6.250   4.079
  322    HB2  CYS  41           HB2      CYS  41   0.371   7.199   6.096
  323    HB3  CYS  41           HB3      CYS  41  -1.003   7.317   4.995
  324    H    TYR  42           H        TYR  42   1.894   6.558   1.900
  325    HA   TYR  42           HA       TYR  42  -0.594   6.310   0.415
  326    HB2  TYR  42           HB2      TYR  42   0.693   7.395  -1.576
  327    HB3  TYR  42           HB3      TYR  42  -0.001   8.413  -0.332
  328    HD1  TYR  42           HD1      TYR  42   3.257   6.529  -0.320
  329    HD2  TYR  42           HD2      TYR  42   1.328  10.319  -0.308
  330    HE1  TYR  42           HE1      TYR  42   5.406   7.613  -0.045
  331    HE2  TYR  42           HE2      TYR  42   3.514  11.414  -0.003
  332    HH   TYR  42           HH       TYR  42   5.693  10.988   0.674
  333    H    ILE  43           H        ILE  43   2.001   4.623   1.374
  334    HA   ILE  43           HA       ILE  43   1.711   2.982  -1.028
  335    HB   ILE  43           HB       ILE  43   4.273   3.455   0.537
  336   HG12  ILE  43          HG12      ILE  43   5.363   3.189  -1.656
  337   HG13  ILE  43          HG13      ILE  43   3.814   2.800  -2.372
  338   HG21  ILE  43          HG21      ILE  43   5.256   1.334  -0.185
  339   HG22  ILE  43          HG22      ILE  43   3.677   0.826  -0.783
  340   HG23  ILE  43          HG23      ILE  43   3.914   1.108   0.938
  341   HD11  ILE  43          HD11      ILE  43   4.661   5.428  -1.203
  342   HD12  ILE  43          HD12      ILE  43   3.053   5.081  -1.857
  343   HD13  ILE  43          HD13      ILE  43   4.466   5.037  -2.910
  344    H    VAL  44           H        VAL  44   0.935   0.964  -0.654
  345    HA   VAL  44           HA       VAL  44   0.768   0.319   2.178
  346    HB   VAL  44           HB       VAL  44  -1.329  -0.398   0.336
  347   HG11  VAL  44          HG11      VAL  44  -1.495  -1.369   2.479
  348   HG12  VAL  44          HG12      VAL  44  -2.841  -0.242   2.319
  349   HG13  VAL  44          HG13      VAL  44  -1.423   0.208   3.266
  350   HG21  VAL  44          HG21      VAL  44  -1.258   2.413   1.447
  351   HG22  VAL  44          HG22      VAL  44  -2.743   1.645   0.858
  352   HG23  VAL  44          HG23      VAL  44  -1.414   1.872  -0.239
  353    H    PHE  45           H        PHE  45   0.836  -1.877   2.531
  354    HA   PHE  45           HA       PHE  45   1.284  -3.536   0.175
  355    HB2  PHE  45           HB2      PHE  45   2.732  -3.589   2.845
  356    HB3  PHE  45           HB3      PHE  45   2.831  -4.879   1.657
  357    HD1  PHE  45           HD1      PHE  45   2.822  -2.487  -0.604
  358    HD2  PHE  45           HD2      PHE  45   5.277  -3.535   2.743
  359    HE1  PHE  45           HE1      PHE  45   4.757  -1.425  -1.655
  360    HE2  PHE  45           HE2      PHE  45   7.172  -2.484   1.655
  361    HZ   PHE  45           HZ       PHE  45   6.931  -1.464  -0.546
  362    H    GLU  46           H        GLU  46   0.026  -5.250   0.141
  363    HA   GLU  46           HA       GLU  46  -1.589  -5.804   2.539
  364    HB2  GLU  46           HB2      GLU  46  -2.297  -6.167  -0.395
  365    HB3  GLU  46           HB3      GLU  46  -3.325  -6.600   0.969
  366    HG2  GLU  46           HG2      GLU  46  -2.455  -3.762   0.430
  367    HG3  GLU  46           HG3      GLU  46  -3.869  -4.469  -0.335
  368    H    ASP  47           H        ASP  47  -1.480  -7.903   3.203
  369    HA   ASP  47           HA       ASP  47   0.154  -9.749   1.607
  370    HB2  ASP  47           HB2      ASP  47   0.558  -9.595   4.098
  371    HB3  ASP  47           HB3      ASP  47  -1.096 -10.179   4.342
  372    H    THR  48           H        THR  48  -0.927 -10.957   0.235
  373    HA   THR  48           HA       THR  48  -3.800 -10.804   0.319
  374    HB   THR  48           HB       THR  48  -2.571 -10.385  -1.791
  375    HG1  THR  48           HG1      THR  48  -3.832 -12.354  -2.887
  376   HG21  THR  48          HG21      THR  48  -1.921 -13.341  -1.699
  377   HG22  THR  48          HG22      THR  48  -0.765 -12.017  -1.546
  378   HG23  THR  48          HG23      THR  48  -1.619 -12.269  -3.068
  379    H    VAL  49           H        VAL  49  -1.453 -13.043   1.319
  380    HA   VAL  49           HA       VAL  49  -3.106 -15.391   0.929
  381    HB   VAL  49           HB       VAL  49  -0.492 -15.115   2.447
  382   HG11  VAL  49          HG11      VAL  49  -1.746 -17.079   3.119
  383   HG12  VAL  49          HG12      VAL  49  -0.325 -17.549   2.187
  384   HG13  VAL  49          HG13      VAL  49  -1.922 -17.572   1.435
  385   HG21  VAL  49          HG21      VAL  49   0.589 -16.036   0.467
  386   HG22  VAL  49          HG22      VAL  49  -0.234 -14.521   0.094
  387   HG23  VAL  49          HG23      VAL  49  -0.957 -16.058  -0.384
  388    H    ASN  50           H        ASN  50  -1.903 -13.450   3.509
  389    HA   ASN  50           HA       ASN  50  -3.466 -14.834   5.558
  390    HB2  ASN  50           HB2      ASN  50  -1.470 -12.589   5.642
  391    HB3  ASN  50           HB3      ASN  50  -2.233 -13.209   7.088
  392   HD21  ASN  50          HD21      ASN  50   0.053 -13.746   4.563
  393   HD22  ASN  50          HD22      ASN  50   0.773 -15.181   5.234
  394    H    LYS  51           H        LYS  51  -3.669 -12.147   3.527
  395    HA   LYS  51           HA       LYS  51  -4.926 -10.337   3.348
  396    HB2  LYS  51           HB2      LYS  51  -6.814 -11.834   5.190
  397    HB3  LYS  51           HB3      LYS  51  -7.195 -10.267   4.508
  398    HG2  LYS  51           HG2      LYS  51  -8.311 -11.813   3.148
  399    HG3  LYS  51           HG3      LYS  51  -6.893 -11.339   2.223
  400    HD2  LYS  51           HD2      LYS  51  -7.267 -13.732   2.040
  401    HD3  LYS  51           HD3      LYS  51  -5.778 -13.423   2.936
  402    HE2  LYS  51           HE2      LYS  51  -7.201 -15.222   3.910
  403    HE3  LYS  51           HE3      LYS  51  -6.853 -13.906   5.023
  404    HZ1  LYS  51           HZ1      LYS  51  -9.053 -13.010   4.613
  405    HZ2  LYS  51           HZ2      LYS  51  -9.170 -14.609   5.112
  406    HZ3  LYS  51           HZ3      LYS  51  -9.395 -14.202   3.482
  407    H    GLU  52           H        GLU  52  -2.867 -10.152   4.863
  408    HA   GLU  52           HA       GLU  52  -3.652  -8.668   7.259
  409    HB2  GLU  52           HB2      GLU  52  -0.907  -9.680   6.414
  410    HB3  GLU  52           HB3      GLU  52  -1.209  -8.703   7.834
  411    HG2  GLU  52           HG2      GLU  52  -2.518 -11.306   7.334
  412    HG3  GLU  52           HG3      GLU  52  -1.043 -11.139   8.317
  413    H    CYS  53           H        CYS  53  -2.388  -6.549   7.634
  414    HA   CYS  53           HA       CYS  53  -2.286  -5.208   5.047
  415    HB2  CYS  53           HB2      CYS  53  -4.489  -4.857   6.016
  416    HB3  CYS  53           HB3      CYS  53  -3.740  -4.360   7.540
  417    H    TYR  54           H        TYR  54  -0.479  -4.085   4.846
  418    HA   TYR  54           HA       TYR  54   0.740  -2.989   7.278
  419    HB2  TYR  54           HB2      TYR  54   2.039  -3.994   4.734
  420    HB3  TYR  54           HB3      TYR  54   2.856  -3.010   5.937
  421    HD1  TYR  54           HD1      TYR  54   0.974  -6.251   5.681
  422    HD2  TYR  54           HD2      TYR  54   4.153  -4.077   7.473
  423    HE1  TYR  54           HE1      TYR  54   1.719  -8.297   6.835
  424    HE2  TYR  54           HE2      TYR  54   4.904  -6.092   8.615
  425    HH   TYR  54           HH       TYR  54   3.781  -9.200   7.836
  426    H    TYR  55           H        TYR  55   0.683  -0.865   7.159
  427    HA   TYR  55           HA       TYR  55   0.541   0.237   4.481
  428    HB2  TYR  55           HB2      TYR  55  -0.728   2.253   5.528
  429    HB3  TYR  55           HB3      TYR  55  -1.571   0.744   5.310
  430    HD1  TYR  55           HD1      TYR  55  -0.022   2.925   7.850
  431    HD2  TYR  55           HD2      TYR  55  -2.454  -0.472   7.104
  432    HE1  TYR  55           HE1      TYR  55  -0.739   2.918  10.198
  433    HE2  TYR  55           HE2      TYR  55  -3.179  -0.488   9.438
  434    HH   TYR  55           HH       TYR  55  -2.542   2.117  11.561
  435    H    ASN  56           H        ASN  56   1.867   1.655   3.804
  436    HA   ASN  56           HA       ASN  56   4.275   2.074   5.415
  437    HB2  ASN  56           HB2      ASN  56   4.642   1.731   3.078
  438    HB3  ASN  56           HB3      ASN  56   3.483   3.003   2.666
  439   HD21  ASN  56          HD21      ASN  56   4.624   4.452   1.727
  440   HD22  ASN  56          HD22      ASN  56   6.022   5.252   2.395
  441    H    VAL  57           H        VAL  57   4.728   3.535   6.651
  442    HA   VAL  57           HA       VAL  57   2.899   5.852   6.661
  443    HB   VAL  57           HB       VAL  57   3.318   6.162   9.069
  444   HG11  VAL  57          HG11      VAL  57   2.047   4.227   9.873
  445   HG12  VAL  57          HG12      VAL  57   2.364   3.400   8.349
  446   HG13  VAL  57          HG13      VAL  57   1.392   4.871   8.367
  447   HG21  VAL  57          HG21      VAL  57   5.540   5.174   9.243
  448   HG22  VAL  57          HG22      VAL  57   4.878   3.584   8.867
  449   HG23  VAL  57          HG23      VAL  57   4.432   4.387  10.370
  450    H    VAL  58           H        VAL  58   5.837   5.177   5.677
  451    HA   VAL  58           HA       VAL  58   6.857   7.877   6.402
  452    HB   VAL  58           HB       VAL  58   8.648   5.631   5.431
  453   HG11  VAL  58          HG11      VAL  58   9.789   7.730   5.367
  454   HG12  VAL  58          HG12      VAL  58  10.411   6.821   6.734
  455   HG13  VAL  58          HG13      VAL  58   9.251   8.115   7.000
  456   HG21  VAL  58          HG21      VAL  58   7.965   6.182   8.304
  457   HG22  VAL  58          HG22      VAL  58   9.263   5.134   7.735
  458   HG23  VAL  58          HG23      VAL  58   7.576   4.725   7.383
  459    H    ASP  59           H        ASP  59   8.594   8.364   4.500
  460    HA   ASP  59           HA       ASP  59   6.972   8.733   2.234
  461    HB2  ASP  59           HB2      ASP  59   9.137   9.699   1.178
  462    HB3  ASP  59           HB3      ASP  59   8.418  10.545   2.537
  463    H    GLY  60           H        GLY  60   6.374   7.089   1.258
  464    HA2  GLY  60           HA2      GLY  60   8.196   4.999   0.476
  465    HA3  GLY  60           HA3      GLY  60   6.435   4.923   0.387
  466    H    GLU  61           H        GLU  61   7.178   7.878  -0.650
  467    HA   GLU  61           HA       GLU  61   6.910   7.420  -3.419
  468    HB2  GLU  61           HB2      GLU  61   6.410   9.574  -2.315
  469    HB3  GLU  61           HB3      GLU  61   8.096   9.732  -1.859
  470    HG2  GLU  61           HG2      GLU  61   8.710   9.881  -4.217
  471    HG3  GLU  61           HG3      GLU  61   7.007   9.748  -4.658
  472    H    GLU  62           H        GLU  62   9.407   7.408  -1.110
  473    HA   GLU  62           HA       GLU  62  11.575   7.402  -2.920
  474    HB2  GLU  62           HB2      GLU  62  11.406   6.855   0.028
  475    HB3  GLU  62           HB3      GLU  62  12.899   6.967  -0.891
  476    HG2  GLU  62           HG2      GLU  62  10.884   9.179  -0.610
  477    HG3  GLU  62           HG3      GLU  62  12.344   9.020   0.364
  478    H    LEU  63           H        LEU  63   9.241   4.995  -2.056
  479    HA   LEU  63           HA       LEU  63  11.319   2.977  -2.140
  480    HB2  LEU  63           HB2      LEU  63   8.289   2.411  -2.184
  481    HB3  LEU  63           HB3      LEU  63   9.609   1.284  -2.062
  482    HG   LEU  63           HG       LEU  63   9.090   3.356   0.039
  483   HD11  LEU  63          HD11      LEU  63   7.213   1.847  -0.088
  484   HD12  LEU  63          HD12      LEU  63   8.169   1.503   1.356
  485   HD13  LEU  63          HD13      LEU  63   8.290   0.454  -0.057
  486   HD21  LEU  63          HD21      LEU  63  11.391   2.565  -0.037
  487   HD22  LEU  63          HD22      LEU  63  10.833   0.891  -0.017
  488   HD23  LEU  63          HD23      LEU  63  10.563   1.927   1.382
  489    H    ASP  64           H        ASP  64  11.989   1.902  -3.793
  490    HA   ASP  64           HA       ASP  64  10.997   2.736  -6.402
  491    HB2  ASP  64           HB2      ASP  64  13.483   1.267  -5.555
  492    HB3  ASP  64           HB3      ASP  64  12.916   1.406  -7.217
  493    H    GLN  65           H        GLN  65   9.346   1.524  -6.981
  494    HA   GLN  65           HA       GLN  65   8.868  -1.069  -5.871
  495    HB2  GLN  65           HB2      GLN  65   7.494  -0.178  -8.363
  496    HB3  GLN  65           HB3      GLN  65   6.859  -1.122  -7.033
  497    HG2  GLN  65           HG2      GLN  65   7.363   1.803  -7.165
  498    HG3  GLN  65           HG3      GLN  65   5.798   1.021  -7.080
  499   HE21  GLN  65          HE21      GLN  65   6.785  -0.830  -4.904
  500   HE22  GLN  65          HE22      GLN  65   6.849   0.180  -3.495
  501    H    GLU  66           H        GLU  66  10.443   0.094  -8.690
  502    HA   GLU  66           HA       GLU  66  10.143  -2.357 -10.128
  503    HB2  GLU  66           HB2      GLU  66  12.296  -0.532 -10.978
  504    HB3  GLU  66           HB3      GLU  66  11.041  -1.300 -11.932
  505    HG2  GLU  66           HG2      GLU  66  10.377   0.882 -12.106
  506    HG3  GLU  66           HG3      GLU  66   9.514   0.439 -10.618
  507    H    LYS  67           H        LYS  67  12.494  -1.048  -7.910
  508    HA   LYS  67           HA       LYS  67  14.361  -3.181  -8.566
  509    HB2  LYS  67           HB2      LYS  67  14.624  -1.017  -6.441
  510    HB3  LYS  67           HB3      LYS  67  15.855  -2.209  -6.813
  511    HG2  LYS  67           HG2      LYS  67  16.591  -0.283  -7.924
  512    HG3  LYS  67           HG3      LYS  67  15.811  -1.206  -9.203
  513    HD2  LYS  67           HD2      LYS  67  13.729   0.192  -8.823
  514    HD3  LYS  67           HD3      LYS  67  14.692   1.067  -7.633
  515    HE2  LYS  67           HE2      LYS  67  16.260   1.757  -9.362
  516    HE3  LYS  67           HE3      LYS  67  15.266   0.916 -10.558
  517    HZ1  LYS  67           HZ1      LYS  67  14.858   3.370 -10.397
  518    HZ2  LYS  67           HZ2      LYS  67  14.231   3.154  -8.862
  519    HZ3  LYS  67           HZ3      LYS  67  13.455   2.469 -10.191
  520    H    PHE  68           H        PHE  68  11.698  -3.378  -7.283
  521    HA   PHE  68           HA       PHE  68  12.131  -4.765  -4.835
  522    HB2  PHE  68           HB2      PHE  68   9.761  -3.963  -6.380
  523    HB3  PHE  68           HB3      PHE  68   9.604  -5.464  -5.459
  524    HD1  PHE  68           HD1      PHE  68  10.675  -1.905  -5.032
  525    HD2  PHE  68           HD2      PHE  68   8.969  -5.350  -3.319
  526    HE1  PHE  68           HE1      PHE  68  10.153  -0.613  -2.993
  527    HE2  PHE  68           HE2      PHE  68   8.444  -4.082  -1.258
  528    HZ   PHE  68           HZ       PHE  68   9.008  -1.748  -1.087
  529    H    VAL  69           H        VAL  69  11.571  -6.874  -4.406
  530    HA   VAL  69           HA       VAL  69  12.200  -8.819  -6.539
  531    HB   VAL  69           HB       VAL  69  12.663  -9.000  -3.518
  532   HG11  VAL  69          HG11      VAL  69  13.717 -10.737  -5.736
  533   HG12  VAL  69          HG12      VAL  69  12.465 -11.155  -4.560
  534   HG13  VAL  69          HG13      VAL  69  14.127 -10.897  -4.025
  535   HG21  VAL  69          HG21      VAL  69  14.104  -7.244  -4.395
  536   HG22  VAL  69          HG22      VAL  69  14.734  -8.353  -5.612
  537   HG23  VAL  69          HG23      VAL  69  15.056  -8.643  -3.900
  538    H    VAL  70           H        VAL  70  10.934 -10.979  -5.796
  539    HA   VAL  70           HA       VAL  70   8.353  -9.926  -4.962
  540    HB   VAL  70           HB       VAL  70   8.952 -12.460  -6.419
  541   HG11  VAL  70          HG11      VAL  70   6.904 -12.691  -5.107
  542   HG12  VAL  70          HG12      VAL  70   6.519 -12.609  -6.826
  543   HG13  VAL  70          HG13      VAL  70   6.271 -11.199  -5.800
  544   HG21  VAL  70          HG21      VAL  70   9.396 -10.535  -7.784
  545   HG22  VAL  70          HG22      VAL  70   7.825  -9.848  -7.381
  546   HG23  VAL  70          HG23      VAL  70   7.922 -11.318  -8.352
  547    H    ASP  71           H        ASP  71   7.721 -10.232  -2.839
  548    HA   ASP  71           HA       ASP  71   8.135 -12.929  -1.840
  549    HB2  ASP  71           HB2      ASP  71   7.138 -10.426  -0.448
  550    HB3  ASP  71           HB3      ASP  71   6.777 -12.019   0.192
  551    H    GLU  72           H        GLU  72   6.681 -14.345  -2.071
  552    HA   GLU  72           HA       GLU  72   4.604 -14.025  -3.937
  553    HB2  GLU  72           HB2      GLU  72   4.984 -16.214  -1.920
  554    HB3  GLU  72           HB3      GLU  72   3.979 -16.300  -3.355
  555    HG2  GLU  72           HG2      GLU  72   5.929 -16.112  -4.766
  556    HG3  GLU  72           HG3      GLU  72   6.961 -15.913  -3.350
  557    H    ASN  73           H        ASN  73   4.587 -13.460  -0.612
  558    HA   ASN  73           HA       ASN  73   1.794 -14.107  -0.189
  559    HB2  ASN  73           HB2      ASN  73   3.752 -12.789   1.690
  560    HB3  ASN  73           HB3      ASN  73   2.188 -13.464   2.115
  561   HD21  ASN  73          HD21      ASN  73   4.932 -14.066   2.996
  562   HD22  ASN  73          HD22      ASN  73   5.116 -15.767   2.737
  563    H    PHE  74           H        PHE  74   3.573 -11.370  -1.226
  564    HA   PHE  74           HA       PHE  74   1.515  -9.650  -0.107
  565    HB2  PHE  74           HB2      PHE  74   4.419  -9.108  -0.480
  566    HB3  PHE  74           HB3      PHE  74   3.254  -7.794  -0.335
  567    HD1  PHE  74           HD1      PHE  74   4.757 -10.674   1.405
  568    HD2  PHE  74           HD2      PHE  74   2.213  -7.284   1.713
  569    HE1  PHE  74           HE1      PHE  74   4.750 -10.901   3.858
  570    HE2  PHE  74           HE2      PHE  74   2.204  -7.500   4.152
  571    HZ   PHE  74           HZ       PHE  74   3.455  -9.307   5.233
  572    H    THR  75           H        THR  75   1.007  -7.801  -1.035
  573    HA   THR  75           HA       THR  75   0.622  -7.646  -3.987
  574    HB   THR  75           HB       THR  75  -0.818  -7.151  -1.462
  575    HG1  THR  75           HG1      THR  75  -0.991  -8.985  -3.424
  576   HG21  THR  75          HG21      THR  75  -2.667  -6.060  -2.625
  577   HG22  THR  75          HG22      THR  75  -1.783  -6.230  -4.140
  578   HG23  THR  75          HG23      THR  75  -1.164  -5.164  -2.870
  579    H    GLU  76           H        GLU  76   1.475  -5.569  -4.857
  580    HA   GLU  76           HA       GLU  76   2.127  -3.688  -2.750
  581    HB2  GLU  76           HB2      GLU  76   4.129  -4.575  -3.597
  582    HB3  GLU  76           HB3      GLU  76   3.616  -4.327  -5.265
  583    HG2  GLU  76           HG2      GLU  76   4.005  -2.057  -5.126
  584    HG3  GLU  76           HG3      GLU  76   3.980  -2.063  -3.358
  585    H    ASN  77           H        ASN  77   1.121  -1.798  -2.854
  586    HA   ASN  77           HA       ASN  77   0.341  -0.844  -5.418
  587    HB2  ASN  77           HB2      ASN  77  -2.140  -0.680  -4.747
  588    HB3  ASN  77           HB3      ASN  77  -1.416  -2.248  -4.979
  589   HD21  ASN  77          HD21      ASN  77  -0.779  -0.682  -1.938
  590   HD22  ASN  77          HD22      ASN  77  -1.822  -1.754  -1.047
  591    H    TYR  78           H        TYR  78   0.478   1.207  -5.607
  592    HA   TYR  78           HA       TYR  78   0.779   2.738  -3.146
  593    HB2  TYR  78           HB2      TYR  78   2.630   4.145  -4.196
  594    HB3  TYR  78           HB3      TYR  78   3.006   2.478  -4.090
  595    HD1  TYR  78           HD1      TYR  78   0.953   2.403  -6.863
  596    HD2  TYR  78           HD2      TYR  78   4.736   3.898  -5.619
  597    HE1  TYR  78           HE1      TYR  78   1.733   2.350  -9.186
  598    HE2  TYR  78           HE2      TYR  78   5.520   3.851  -7.945
  599    HH   TYR  78           HH       TYR  78   5.000   2.663 -10.002
  600    H    LEU  79           H        LEU  79  -0.099   4.686  -2.924
  601    HA   LEU  79           HA       LEU  79  -2.350   5.239  -4.630
  602    HB2  LEU  79           HB2      LEU  79  -2.761   5.379  -2.307
  603    HB3  LEU  79           HB3      LEU  79  -1.358   6.393  -2.039
  604    HG   LEU  79           HG       LEU  79  -2.486   8.208  -3.305
  605   HD11  LEU  79          HD11      LEU  79  -3.962   6.943  -4.666
  606   HD12  LEU  79          HD12      LEU  79  -4.881   8.085  -3.684
  607   HD13  LEU  79          HD13      LEU  79  -4.842   6.375  -3.252
  608   HD21  LEU  79          HD21      LEU  79  -4.026   7.167  -0.937
  609   HD22  LEU  79          HD22      LEU  79  -4.068   8.816  -1.549
  610   HD23  LEU  79          HD23      LEU  79  -2.571   8.173  -0.862
  611    H    THR  80           H        THR  80  -1.982   6.271  -6.394
  612    HA   THR  80           HA       THR  80  -0.552   8.787  -6.224
  613    HB   THR  80           HB       THR  80   0.970   7.284  -7.380
  614    HG1  THR  80           HG1      THR  80  -0.109   8.786  -9.511
  615   HG21  THR  80          HG21      THR  80  -1.274   6.793  -9.346
  616   HG22  THR  80          HG22      THR  80  -0.626   5.622  -8.201
  617   HG23  THR  80          HG23      THR  80   0.385   6.216  -9.519
  618    H    ASP  81           H        ASP  81  -1.492  10.491  -7.268
  619    HA   ASP  81           HA       ASP  81  -2.554  11.673  -8.838
  620    HB2  ASP  81           HB2      ASP  81  -3.492   9.045  -9.952
  621    HB3  ASP  81           HB3      ASP  81  -3.982  10.597 -10.622
  622    H    CYS  82           H        CYS  82  -4.737   9.187  -7.677
  623    HA   CYS  82           HA       CYS  82  -7.005  10.821  -7.919
  624    HB2  CYS  82           HB2      CYS  82  -6.557   8.409  -6.193
  625    HB3  CYS  82           HB3      CYS  82  -8.067   9.293  -6.190
  626    H    GLU  83           H        GLU  83  -5.541   9.877  -4.784
  627    HA   GLU  83           HA       GLU  83  -6.554  10.389  -2.887
  628    HB2  GLU  83           HB2      GLU  83  -5.662  12.619  -1.921
  629    HB3  GLU  83           HB3      GLU  83  -4.510  11.409  -2.418
  630    HG2  GLU  83           HG2      GLU  83  -3.568  13.383  -3.148
  631    HG3  GLU  83           HG3      GLU  83  -4.348  12.765  -4.594
  632    H    GLY  84           H        GLY  84  -8.402  10.004  -3.565
  633    HA2  GLY  84           HA2      GLY  84 -10.668  11.066  -3.014
  634    HA3  GLY  84           HA3      GLY  84 -10.248  12.109  -4.388
  635    H    LYS  85           H        LYS  85 -11.147   8.950  -3.406
  636    HA   LYS  85           HA       LYS  85 -10.323   7.207  -5.322
  637    HB2  LYS  85           HB2      LYS  85 -11.579   6.639  -3.250
  638    HB3  LYS  85           HB3      LYS  85 -13.058   7.139  -4.052
  639    HG2  LYS  85           HG2      LYS  85 -12.565   5.371  -5.800
  640    HG3  LYS  85           HG3      LYS  85 -11.253   4.859  -4.724
  641    HD2  LYS  85           HD2      LYS  85 -12.843   4.426  -2.935
  642    HD3  LYS  85           HD3      LYS  85 -14.176   4.936  -3.978
  643    HE2  LYS  85           HE2      LYS  85 -13.659   3.127  -5.527
  644    HE3  LYS  85           HE3      LYS  85 -12.311   2.630  -4.515
  645    HZ1  LYS  85           HZ1      LYS  85 -14.300   1.280  -4.196
  646    HZ2  LYS  85           HZ2      LYS  85 -15.161   2.616  -3.672
  647    HZ3  LYS  85           HZ3      LYS  85 -13.856   2.026  -2.757
  648    H    ASP  86           H        ASP  86 -10.373   7.542  -7.467
  649    HA   ASP  86           HA       ASP  86 -13.030   7.675  -8.722
  650    HB2  ASP  86           HB2      ASP  86 -12.081   9.898  -9.027
  651    HB3  ASP  86           HB3      ASP  86 -10.601   9.199  -9.681
  652    H    ALA  87           H        ALA  87  -9.605   7.050  -9.394
  653    HA   ALA  87           HA       ALA  87 -10.297   5.077 -11.422
  654    HB1  ALA  87           HB1      ALA  87  -7.878   5.030 -11.829
  655    HB2  ALA  87           HB2      ALA  87  -7.622   6.074 -10.432
  656    HB3  ALA  87           HB3      ALA  87  -8.485   6.687 -11.840
  657    H    GLY  88           H        GLY  88 -11.019   4.523  -8.679
  658    HA2  GLY  88           HA2      GLY  88  -9.063   2.832  -7.433
  659    HA3  GLY  88           HA3      GLY  88 -10.739   3.023  -6.941
  660    H    ASN  89           H        ASN  89 -11.291   2.355  -9.911
  661    HA   ASN  89           HA       ASN  89 -11.628  -0.487  -9.472
  662    HB2  ASN  89           HB2      ASN  89 -12.910  -0.461 -11.580
  663    HB3  ASN  89           HB3      ASN  89 -13.479   0.774 -10.466
  664   HD21  ASN  89          HD21      ASN  89 -11.953   0.153 -13.500
  665   HD22  ASN  89          HD22      ASN  89 -11.930   1.803 -14.050
  666    H    ALA  90           H        ALA  90  -9.257   1.478 -10.832
  667    HA   ALA  90           HA       ALA  90  -8.464  -0.446 -12.831
  668    HB1  ALA  90           HB1      ALA  90  -7.098   2.105 -11.939
  669    HB2  ALA  90           HB2      ALA  90  -8.184   1.946 -13.318
  670    HB3  ALA  90           HB3      ALA  90  -6.629   1.115 -13.319
  671    H    ALA  91           H        ALA  91  -7.935  -2.247 -11.834
  672    HA   ALA  91           HA       ALA  91  -6.808  -3.813 -10.770
  673    HB1  ALA  91           HB1      ALA  91  -4.847  -2.825 -11.909
  674    HB2  ALA  91           HB2      ALA  91  -4.430  -3.567 -10.363
  675    HB3  ALA  91           HB3      ALA  91  -4.567  -1.815 -10.489
  676    H    GLY  92           H        GLY  92  -5.504  -1.131  -8.874
  677    HA2  GLY  92           HA2      GLY  92  -5.940  -0.522  -6.713
  678    HA3  GLY  92           HA3      GLY  92  -7.240  -1.702  -6.676
  679    H    THR  93           H        THR  93  -6.940  -3.504  -5.593
  680    HA   THR  93           HA       THR  93  -4.361  -3.853  -4.284
  681    HB   THR  93           HB       THR  93  -5.860  -5.205  -2.657
  682    HG1  THR  93           HG1      THR  93  -7.953  -3.553  -3.444
  683   HG21  THR  93          HG21      THR  93  -4.894  -3.005  -2.111
  684   HG22  THR  93          HG22      THR  93  -6.530  -3.150  -1.475
  685   HG23  THR  93          HG23      THR  93  -6.234  -2.212  -2.938
  686    H    GLY  94           H        GLY  94  -3.113  -5.456  -5.107
  687    HA2  GLY  94           HA2      GLY  94  -2.432  -7.467  -5.968
  688    HA3  GLY  94           HA3      GLY  94  -3.722  -8.144  -4.996
  689    H    ASP  95           H        ASP  95  -3.608  -6.201  -7.985
  690    HA   ASP  95           HA       ASP  95  -5.296  -8.284  -9.143
  691    HB2  ASP  95           HB2      ASP  95  -6.622  -6.311  -8.553
  692    HB3  ASP  95           HB3      ASP  95  -5.567  -5.307  -9.538
  693    H    GLU  96           H        GLU  96  -3.739  -9.283 -10.265
  694    HA   GLU  96           HA       GLU  96  -2.624  -7.815 -12.563
  695    HB2  GLU  96           HB2      GLU  96  -1.358 -10.081 -11.003
  696    HB3  GLU  96           HB3      GLU  96  -0.766  -9.469 -12.532
  697    HG2  GLU  96           HG2      GLU  96  -0.259  -7.343 -11.512
  698    HG3  GLU  96           HG3      GLU  96  -0.952  -7.905  -9.989
  699    H    SER  97           H        SER  97  -3.162  -8.732 -14.450
  700    HA   SER  97           HA       SER  97  -4.682 -11.174 -14.470
  701    HB2  SER  97           HB2      SER  97  -3.653  -9.493 -16.780
  702    HB3  SER  97           HB3      SER  97  -4.883 -10.756 -16.879
  703    HG   SER  97           HG       SER  97  -5.318  -8.757 -15.025
  704    H    ASP  98           H        ASP  98  -1.578  -9.971 -15.703
  705    HA   ASP  98           HA       ASP  98   0.015 -12.150 -15.148
  706    HB2  ASP  98           HB2      ASP  98  -1.564 -13.111 -17.053
  707    HB3  ASP  98           HB3      ASP  98  -0.648 -12.050 -18.111
  708    H    GLU  99           H        GLU  99   1.875 -11.823 -17.156
  709    HA   GLU  99           HA       GLU  99   2.093  -8.990 -17.723
  710    HB2  GLU  99           HB2      GLU  99   3.405  -9.296 -15.660
  711    HB3  GLU  99           HB3      GLU  99   4.238 -10.665 -16.369
  712    HG2  GLU  99           HG2      GLU  99   5.624  -8.626 -16.276
  713    HG3  GLU  99           HG3      GLU  99   5.401  -9.232 -17.910
  714    H    VAL 100           H        VAL 100   1.679  -9.395 -19.818
  715    HA   VAL 100           HA       VAL 100   3.545 -11.217 -21.237
  716    HB   VAL 100           HB       VAL 100   0.795 -10.728 -22.312
  717   HG11  VAL 100          HG11      VAL 100   2.603 -13.117 -22.472
  718   HG12  VAL 100          HG12      VAL 100   2.348 -11.884 -23.705
  719   HG13  VAL 100          HG13      VAL 100   1.029 -12.965 -23.254
  720   HG21  VAL 100          HG21      VAL 100   1.314 -12.793 -20.171
  721   HG22  VAL 100          HG22      VAL 100  -0.141 -12.699 -21.161
  722   HG23  VAL 100          HG23      VAL 100   0.257 -11.389 -20.053
  723    H    ASP 101           H        ASP 101   3.217  -8.225 -20.658
  724    HA   ASP 101           HA       ASP 101   3.273  -6.218 -21.624
  725    HB2  ASP 101           HB2      ASP 101   5.148  -6.951 -23.006
  726    HB3  ASP 101           HB3      ASP 101   4.057  -7.773 -24.114
  727    H    GLU 102           H        GLU 102   1.201  -6.086 -21.124
  728    HA   GLU 102           HA       GLU 102  -0.623  -5.489 -23.254
  729    HB2  GLU 102           HB2      GLU 102  -0.864  -7.960 -23.040
  730    HB3  GLU 102           HB3      GLU 102  -1.201  -7.769 -21.332
  731    HG2  GLU 102           HG2      GLU 102  -3.246  -6.536 -21.892
  732    HG3  GLU 102           HG3      GLU 102  -2.905  -6.780 -23.606
  733    H    ASP 103           H        ASP 103  -0.272  -6.347 -19.840
  734    HA   ASP 103           HA       ASP 103  -1.059  -3.696 -19.045
  735    HB2  ASP 103           HB2      ASP 103  -3.206  -4.829 -18.932
  736    HB3  ASP 103           HB3      ASP 103  -2.490  -6.164 -18.027
  Start of MODEL    3
    1    H1   GLU   1           H1       GLU   1 -16.091   9.008   0.834
    2    H2   GLU   1           H2       GLU   1 -16.119   7.531  -0.001
    3    H3   GLU   1           H3       GLU   1 -16.836   8.870  -0.680
    4    HA   GLU   1           HA       GLU   1 -14.744   8.365  -1.751
    5    HB2  GLU   1           HB2      GLU   1 -15.544  10.725  -1.562
    6    HB3  GLU   1           HB3      GLU   1 -14.636  10.885  -0.068
    7    HG2  GLU   1           HG2      GLU   1 -12.562  10.512  -1.302
    8    HG3  GLU   1           HG3      GLU   1 -13.489  10.366  -2.797
    9    H    GLU   2           H        GLU   2 -14.481   9.177   1.636
   10    HA   GLU   2           HA       GLU   2 -11.705   8.879   1.968
   11    HB2  GLU   2           HB2      GLU   2 -12.222   9.413   4.230
   12    HB3  GLU   2           HB3      GLU   2 -13.198  10.411   3.175
   13    HG2  GLU   2           HG2      GLU   2 -14.105   8.060   4.850
   14    HG3  GLU   2           HG3      GLU   2 -14.539   9.745   5.056
   15    H    ARG   3           H        ARG   3 -13.137   6.413   1.017
   16    HA   ARG   3           HA       ARG   3 -12.785   4.675   3.328
   17    HB2  ARG   3           HB2      ARG   3 -14.574   4.588   1.085
   18    HB3  ARG   3           HB3      ARG   3 -13.608   3.113   1.118
   19    HG2  ARG   3           HG2      ARG   3 -15.685   2.834   2.357
   20    HG3  ARG   3           HG3      ARG   3 -14.273   2.717   3.410
   21    HD2  ARG   3           HD2      ARG   3 -14.640   5.094   4.086
   22    HD3  ARG   3           HD3      ARG   3 -16.101   5.104   3.101
   23    HE   ARG   3           HE       ARG   3 -16.287   2.955   4.808
   24   HH11  ARG   3          HH11      ARG   3 -16.382   6.540   5.054
   25   HH12  ARG   3          HH12      ARG   3 -17.115   6.507   6.590
   26   HH21  ARG   3          HH21      ARG   3 -17.316   3.000   6.915
   27   HH22  ARG   3          HH22      ARG   3 -17.641   4.514   7.645
   28    H    GLU   4           H        GLU   4 -12.059   4.448  -0.143
   29    HA   GLU   4           HA       GLU   4  -9.323   3.970   0.670
   30    HB2  GLU   4           HB2      GLU   4 -10.542   2.571  -1.692
   31    HB3  GLU   4           HB3      GLU   4  -8.948   2.411  -1.036
   32    HG2  GLU   4           HG2      GLU   4 -10.038   1.563   1.078
   33    HG3  GLU   4           HG3      GLU   4 -11.483   1.417   0.116
   34    H    ASP   5           H        ASP   5  -7.918   4.788  -0.696
   35    HA   ASP   5           HA       ASP   5  -8.898   6.799  -2.678
   36    HB2  ASP   5           HB2      ASP   5  -6.953   7.164  -0.880
   37    HB3  ASP   5           HB3      ASP   5  -5.966   6.400  -2.121
   38    H    CYS   6           H        CYS   6  -7.072   6.891  -4.608
   39    HA   CYS   6           HA       CYS   6  -7.632   4.322  -5.898
   40    HB2  CYS   6           HB2      CYS   6  -6.221   6.378  -7.404
   41    HB3  CYS   6           HB3      CYS   6  -7.515   5.303  -7.939
   42    H    TRP   7           H        TRP   7  -5.974   2.906  -5.425
   43    HA   TRP   7           HA       TRP   7  -3.319   4.062  -5.677
   44    HB2  TRP   7           HB2      TRP   7  -3.698   1.277  -4.465
   45    HB3  TRP   7           HB3      TRP   7  -2.436   2.459  -4.228
   46    HD1  TRP   7           HD1      TRP   7  -4.730   4.807  -3.621
   47    HE1  TRP   7           HE1      TRP   7  -5.805   4.818  -1.399
   48    HE3  TRP   7           HE3      TRP   7  -3.402   0.154  -2.227
   49    HZ2  TRP   7           HZ2      TRP   7  -6.020   3.023   0.844
   50    HZ3  TRP   7           HZ3      TRP   7  -4.016  -0.627   0.002
   51    HH2  TRP   7           HH2      TRP   7  -5.258   0.780   1.512
   52    H    THR   8           H        THR   8  -1.866   3.161  -6.896
   53    HA   THR   8           HA       THR   8  -2.946   1.674  -9.164
   54    HB   THR   8           HB       THR   8  -0.323   3.184  -8.916
   55    HG1  THR   8           HG1      THR   8  -1.428   4.988  -9.563
   56   HG21  THR   8          HG21      THR   8  -1.932   2.310 -11.337
   57   HG22  THR   8          HG22      THR   8  -0.431   1.568 -10.786
   58   HG23  THR   8          HG23      THR   8  -0.427   3.226 -11.386
   59    H    PHE   9           H        PHE   9  -2.243  -0.340  -9.609
   60    HA   PHE   9           HA       PHE   9  -0.507  -1.567  -7.620
   61    HB2  PHE   9           HB2      PHE   9  -2.902  -2.393  -8.111
   62    HB3  PHE   9           HB3      PHE   9  -2.192  -3.093  -9.587
   63    HD1  PHE   9           HD1      PHE   9  -2.193  -3.074  -6.017
   64    HD2  PHE   9           HD2      PHE   9  -0.719  -4.994  -9.448
   65    HE1  PHE   9           HE1      PHE   9  -1.309  -4.888  -4.592
   66    HE2  PHE   9           HE2      PHE   9   0.178  -6.814  -8.066
   67    HZ   PHE   9           HZ       PHE   9  -0.108  -6.751  -5.616
   68    H    TYR  10           H        TYR  10   1.290  -2.744  -8.176
   69    HA   TYR  10           HA       TYR  10   2.004  -2.626 -11.020
   70    HB2  TYR  10           HB2      TYR  10   3.514  -1.331  -9.555
   71    HB3  TYR  10           HB3      TYR  10   3.895  -2.799  -8.667
   72    HD1  TYR  10           HD1      TYR  10   4.114  -1.260 -12.054
   73    HD2  TYR  10           HD2      TYR  10   5.677  -4.187  -9.394
   74    HE1  TYR  10           HE1      TYR  10   5.968  -1.670 -13.608
   75    HE2  TYR  10           HE2      TYR  10   7.531  -4.604 -10.947
   76    HH   TYR  10           HH       TYR  10   8.251  -2.550 -13.569
   77    H    ALA  11           H        ALA  11   2.596  -4.750  -8.102
   78    HA   ALA  11           HA       ALA  11   1.942  -7.139  -9.377
   79    HB1  ALA  11           HB1      ALA  11   3.940  -6.710 -10.728
   80    HB2  ALA  11           HB2      ALA  11   4.187  -8.088  -9.653
   81    HB3  ALA  11           HB3      ALA  11   4.899  -6.520  -9.263
   82    H    ASN  12           H        ASN  12   2.621  -8.983  -7.933
   83    HA   ASN  12           HA       ASN  12   2.868  -8.045  -5.176
   84    HB2  ASN  12           HB2      ASN  12   2.872 -10.835  -6.427
   85    HB3  ASN  12           HB3      ASN  12   3.109 -10.544  -4.695
   86   HD21  ASN  12          HD21      ASN  12   0.844  -8.709  -6.575
   87   HD22  ASN  12          HD22      ASN  12  -0.586  -9.448  -5.954
   88    H    ARG  13           H        ARG  13   4.787  -7.548  -4.486
   89    HA   ARG  13           HA       ARG  13   7.106  -9.053  -5.199
   90    HB2  ARG  13           HB2      ARG  13   6.930  -6.095  -5.856
   91    HB3  ARG  13           HB3      ARG  13   8.442  -6.958  -5.705
   92    HG2  ARG  13           HG2      ARG  13   7.724  -8.402  -7.609
   93    HG3  ARG  13           HG3      ARG  13   6.311  -7.359  -7.796
   94    HD2  ARG  13           HD2      ARG  13   7.788  -5.425  -8.117
   95    HD3  ARG  13           HD3      ARG  13   9.193  -6.469  -7.931
   96    HE   ARG  13           HE       ARG  13   7.324  -7.107 -10.080
   97   HH11  ARG  13          HH11      ARG  13  10.539  -5.820  -9.174
   98   HH12  ARG  13          HH12      ARG  13  11.034  -5.648 -10.794
   99   HH21  ARG  13          HH21      ARG  13   8.072  -6.879 -12.257
  100   HH22  ARG  13          HH22      ARG  13   9.634  -6.267 -12.563
  101    H    LYS  14           H        LYS  14   8.907  -8.473  -3.709
  102    HA   LYS  14           HA       LYS  14   8.608  -6.173  -2.066
  103    HB2  LYS  14           HB2      LYS  14   7.785  -8.537  -0.746
  104    HB3  LYS  14           HB3      LYS  14   9.353  -8.064  -0.085
  105    HG2  LYS  14           HG2      LYS  14   7.928  -6.880   1.288
  106    HG3  LYS  14           HG3      LYS  14   8.237  -5.667   0.027
  107    HD2  LYS  14           HD2      LYS  14   6.153  -7.288  -0.880
  108    HD3  LYS  14           HD3      LYS  14   5.762  -6.854   0.791
  109    HE2  LYS  14           HE2      LYS  14   4.866  -5.178  -0.724
  110    HE3  LYS  14           HE3      LYS  14   6.188  -4.509   0.232
  111    HZ1  LYS  14           HZ1      LYS  14   6.308  -3.880  -2.164
  112    HZ2  LYS  14           HZ2      LYS  14   6.463  -5.504  -2.514
  113    HZ3  LYS  14           HZ3      LYS  14   7.644  -4.658  -1.639
  114    H    TYR  15           H        TYR  15  10.537  -5.539  -0.938
  115    HA   TYR  15           HA       TYR  15  12.865  -6.684  -2.253
  116    HB2  TYR  15           HB2      TYR  15  12.287  -4.200  -2.381
  117    HB3  TYR  15           HB3      TYR  15  12.672  -4.105  -0.669
  118    HD1  TYR  15           HD1      TYR  15  14.239  -5.621  -3.672
  119    HD2  TYR  15           HD2      TYR  15  14.734  -3.153  -0.271
  120    HE1  TYR  15           HE1      TYR  15  16.606  -5.286  -4.284
  121    HE2  TYR  15           HE2      TYR  15  17.087  -2.804  -0.846
  122    HH   TYR  15           HH       TYR  15  18.403  -3.676  -3.876
  123    H    THR  16           H        THR  16  11.700  -8.132  -0.381
  124    HA   THR  16           HA       THR  16  11.873  -9.390   1.389
  125    HB   THR  16           HB       THR  16  14.162 -10.194   1.993
  126    HG1  THR  16           HG1      THR  16  15.722  -8.902   1.589
  127   HG21  THR  16          HG21      THR  16  13.525  -9.965  -0.952
  128   HG22  THR  16          HG22      THR  16  12.900 -11.188   0.151
  129   HG23  THR  16          HG23      THR  16  14.621 -11.147  -0.234
  130    H    ASP  17           H        ASP  17  12.044  -6.275   2.087
  131    HA   ASP  17           HA       ASP  17  12.129  -6.898   4.889
  132    HB2  ASP  17           HB2      ASP  17  14.457  -6.009   4.010
  133    HB3  ASP  17           HB3      ASP  17  13.626  -4.454   3.994
  134    H    PHE  18           H        PHE  18  11.550  -4.746   6.031
  135    HA   PHE  18           HA       PHE  18   9.403  -3.309   4.627
  136    HB2  PHE  18           HB2      PHE  18   9.009  -5.095   7.043
  137    HB3  PHE  18           HB3      PHE  18   7.872  -3.828   6.623
  138    HD1  PHE  18           HD1      PHE  18   9.264  -7.085   5.584
  139    HD2  PHE  18           HD2      PHE  18   6.357  -4.093   4.816
  140    HE1  PHE  18           HE1      PHE  18   8.068  -8.625   4.077
  141    HE2  PHE  18           HE2      PHE  18   5.166  -5.608   3.321
  142    HZ   PHE  18           HZ       PHE  18   6.000  -7.855   2.937
  143    H    ASP  19           H        ASP  19  11.989  -2.622   5.738
  144    HA   ASP  19           HA       ASP  19  12.041  -1.561   8.324
  145    HB2  ASP  19           HB2      ASP  19  14.079  -1.998   7.147
  146    HB3  ASP  19           HB3      ASP  19  13.665  -0.842   5.890
  147    H    LYS  20           H        LYS  20  10.546  -0.244   5.605
  148    HA   LYS  20           HA       LYS  20  10.976   2.494   6.080
  149    HB2  LYS  20           HB2      LYS  20   8.825   1.186   4.462
  150    HB3  LYS  20           HB3      LYS  20   9.190   2.902   4.430
  151    HG2  LYS  20           HG2      LYS  20  11.049   0.663   3.614
  152    HG3  LYS  20           HG3      LYS  20  10.193   1.755   2.531
  153    HD2  LYS  20           HD2      LYS  20  12.319   2.559   4.531
  154    HD3  LYS  20           HD3      LYS  20  12.542   2.394   2.797
  155    HE2  LYS  20           HE2      LYS  20  10.929   4.171   2.388
  156    HE3  LYS  20           HE3      LYS  20  10.640   4.325   4.114
  157    HZ1  LYS  20           HZ1      LYS  20  12.127   5.994   3.190
  158    HZ2  LYS  20           HZ2      LYS  20  13.251   4.803   2.807
  159    HZ3  LYS  20           HZ3      LYS  20  12.874   5.104   4.421
  160    H    SER  21           H        SER  21   9.168   0.556   8.000
  161    HA   SER  21           HA       SER  21   7.989   0.966   9.836
  162    HB2  SER  21           HB2      SER  21   9.289   3.085  10.087
  163    HB3  SER  21           HB3      SER  21   8.070   3.915   9.130
  164    HG   SER  21           HG       SER  21   8.003   2.958  11.732
  165    H    PHE  22           H        PHE  22   6.264  -0.083   9.540
  166    HA   PHE  22           HA       PHE  22   4.046   1.113   8.017
  167    HB2  PHE  22           HB2      PHE  22   4.843  -1.808   8.124
  168    HB3  PHE  22           HB3      PHE  22   3.486  -1.114   7.225
  169    HD1  PHE  22           HD1      PHE  22   5.145   1.329   6.381
  170    HD2  PHE  22           HD2      PHE  22   5.824  -2.809   6.193
  171    HE1  PHE  22           HE1      PHE  22   6.459   1.732   4.504
  172    HE2  PHE  22           HE2      PHE  22   7.283  -2.461   4.207
  173    HZ   PHE  22           HZ       PHE  22   7.615  -0.214   3.331
  174    H    LYS  23           H        LYS  23   2.014   0.548   8.850
  175    HA   LYS  23           HA       LYS  23   2.024  -0.761  11.481
  176    HB2  LYS  23           HB2      LYS  23   0.251   1.452  10.431
  177    HB3  LYS  23           HB3      LYS  23  -0.066   0.583  11.922
  178    HG2  LYS  23           HG2      LYS  23   2.010   1.416  12.871
  179    HG3  LYS  23           HG3      LYS  23   2.391   2.220  11.350
  180    HD2  LYS  23           HD2      LYS  23   0.595   3.743  11.584
  181    HD3  LYS  23           HD3      LYS  23  -0.128   2.807  12.889
  182    HE2  LYS  23           HE2      LYS  23   0.984   4.837  13.714
  183    HE3  LYS  23           HE3      LYS  23   1.713   3.375  14.362
  184    HZ1  LYS  23           HZ1      LYS  23   3.515   3.624  12.732
  185    HZ2  LYS  23           HZ2      LYS  23   3.360   4.952  13.746
  186    HZ3  LYS  23           HZ3      LYS  23   2.815   5.076  12.175
  187    H    LYS  24           H        LYS  24   0.461  -2.411  11.785
  188    HA   LYS  24           HA       LYS  24  -1.345  -2.846   9.530
  189    HB2  LYS  24           HB2      LYS  24  -0.550  -4.806   8.816
  190    HB3  LYS  24           HB3      LYS  24   0.946  -4.261   9.529
  191    HG2  LYS  24           HG2      LYS  24  -1.004  -5.994  11.036
  192    HG3  LYS  24           HG3      LYS  24   0.210  -6.667   9.960
  193    HD2  LYS  24           HD2      LYS  24   1.965  -5.640  11.305
  194    HD3  LYS  24           HD3      LYS  24   0.744  -4.956  12.387
  195    HE2  LYS  24           HE2      LYS  24   1.757  -7.041  13.274
  196    HE3  LYS  24           HE3      LYS  24   0.019  -7.173  13.027
  197    HZ1  LYS  24           HZ1      LYS  24   2.019  -8.164  11.050
  198    HZ2  LYS  24           HZ2      LYS  24   0.360  -8.472  11.067
  199    HZ3  LYS  24           HZ3      LYS  24   1.341  -9.126  12.257
  200    H    SER  25           H        SER  25  -3.157  -3.780   9.954
  201    HA   SER  25           HA       SER  25  -3.691  -5.353  12.285
  202    HB2  SER  25           HB2      SER  25  -5.320  -2.871  11.571
  203    HB3  SER  25           HB3      SER  25  -5.704  -4.020  12.850
  204    HG   SER  25           HG       SER  25  -3.187  -2.984  13.029
  205    H    SER  26           H        SER  26  -6.001  -6.494  11.591
  206    HA   SER  26           HA       SER  26  -6.126  -5.943   8.721
  207    HB2  SER  26           HB2      SER  26  -7.623  -8.045   8.727
  208    HB3  SER  26           HB3      SER  26  -5.905  -8.296   9.044
  209    HG   SER  26           HG       SER  26  -6.320  -8.849  11.028
  210    H    ASP  27           H        ASP  27  -7.161  -4.090   8.781
  211    HA   ASP  27           HA       ASP  27 -10.088  -4.127   9.165
  212    HB2  ASP  27           HB2      ASP  27  -8.321  -1.772   9.796
  213    HB3  ASP  27           HB3      ASP  27 -10.062  -1.870   9.842
  214    H    LEU  28           H        LEU  28 -10.671  -4.273   7.165
  215    HA   LEU  28           HA       LEU  28  -8.901  -3.252   5.186
  216    HB2  LEU  28           HB2      LEU  28 -11.811  -4.032   4.840
  217    HB3  LEU  28           HB3      LEU  28 -10.711  -3.671   3.532
  218    HG   LEU  28           HG       LEU  28 -10.883  -5.991   3.544
  219   HD11  LEU  28          HD11      LEU  28  -8.612  -5.289   3.315
  220   HD12  LEU  28          HD12      LEU  28  -8.699  -6.849   4.132
  221   HD13  LEU  28          HD13      LEU  28  -8.371  -5.388   5.059
  222   HD21  LEU  28          HD21      LEU  28 -10.635  -7.438   5.501
  223   HD22  LEU  28          HD22      LEU  28 -11.976  -6.314   5.705
  224   HD23  LEU  28          HD23      LEU  28 -10.443  -6.025   6.534
  225    H    ASP  29           H        ASP  29 -11.911  -2.011   6.489
  226    HA   ASP  29           HA       ASP  29 -11.994   0.362   4.951
  227    HB2  ASP  29           HB2      ASP  29 -12.901  -0.018   7.776
  228    HB3  ASP  29           HB3      ASP  29 -13.473   1.222   6.671
  229    H    GLU  30           H        GLU  30 -10.796  -0.443   8.165
  230    HA   GLU  30           HA       GLU  30 -10.031   2.187   8.659
  231    HB2  GLU  30           HB2      GLU  30  -9.407  -0.160  10.434
  232    HB3  GLU  30           HB3      GLU  30  -9.010   1.506  10.777
  233    HG2  GLU  30           HG2      GLU  30 -11.485   2.013  10.463
  234    HG3  GLU  30           HG3      GLU  30 -11.719   0.270  10.579
  235    H    CYS  31           H        CYS  31  -8.140  -0.459   7.623
  236    HA   CYS  31           HA       CYS  31  -5.652   0.767   8.149
  237    HB2  CYS  31           HB2      CYS  31  -6.477  -1.272   6.068
  238    HB3  CYS  31           HB3      CYS  31  -4.804  -0.666   6.145
  239    H    LYS  32           H        LYS  32  -7.789   1.195   5.507
  240    HA   LYS  32           HA       LYS  32  -5.914   2.639   3.957
  241    HB2  LYS  32           HB2      LYS  32  -8.980   2.518   3.487
  242    HB3  LYS  32           HB3      LYS  32  -7.786   3.262   2.542
  243    HG2  LYS  32           HG2      LYS  32  -8.582   0.887   1.886
  244    HG3  LYS  32           HG3      LYS  32  -6.939   1.412   1.622
  245    HD2  LYS  32           HD2      LYS  32  -6.471   0.274   3.865
  246    HD3  LYS  32           HD3      LYS  32  -8.082  -0.414   3.775
  247    HE2  LYS  32           HE2      LYS  32  -5.710  -0.987   1.933
  248    HE3  LYS  32           HE3      LYS  32  -6.586  -2.083   2.971
  249    HZ1  LYS  32           HZ1      LYS  32  -7.100  -2.339   0.625
  250    HZ2  LYS  32           HZ2      LYS  32  -7.767  -0.800   0.561
  251    HZ3  LYS  32           HZ3      LYS  32  -8.475  -1.987   1.523
  252    H    LYS  33           H        LYS  33  -8.493   3.343   6.132
  253    HA   LYS  33           HA       LYS  33  -8.466   6.093   5.875
  254    HB2  LYS  33           HB2      LYS  33 -10.106   6.071   7.548
  255    HB3  LYS  33           HB3      LYS  33 -10.041   4.327   7.248
  256    HG2  LYS  33           HG2      LYS  33  -8.644   3.943   8.946
  257    HG3  LYS  33           HG3      LYS  33  -8.345   5.650   9.304
  258    HD2  LYS  33           HD2      LYS  33 -10.898   5.737   9.750
  259    HD3  LYS  33           HD3      LYS  33 -10.786   3.976   9.856
  260    HE2  LYS  33           HE2      LYS  33  -9.193   5.946  11.504
  261    HE3  LYS  33           HE3      LYS  33 -10.583   5.034  12.072
  262    HZ1  LYS  33           HZ1      LYS  33  -8.394   4.183  12.709
  263    HZ2  LYS  33           HZ2      LYS  33  -8.048   3.733  11.136
  264    HZ3  LYS  33           HZ3      LYS  33  -9.359   3.039  12.011
  265    H    THR  34           H        THR  34  -6.650   3.864   8.063
  266    HA   THR  34           HA       THR  34  -5.492   5.836   9.570
  267    HB   THR  34           HB       THR  34  -4.435   3.024   9.183
  268    HG1  THR  34           HG1      THR  34  -5.886   2.619  10.973
  269   HG21  THR  34          HG21      THR  34  -4.360   4.972  11.505
  270   HG22  THR  34          HG22      THR  34  -2.999   4.584  10.450
  271   HG23  THR  34          HG23      THR  34  -3.685   3.342  11.496
  272    H    CYS  35           H        CYS  35  -4.444   4.207   6.637
  273    HA   CYS  35           HA       CYS  35  -1.899   5.521   6.457
  274    HB2  CYS  35           HB2      CYS  35  -2.514   3.711   4.872
  275    HB3  CYS  35           HB3      CYS  35  -3.818   4.706   4.249
  276    H    PHE  36           H        PHE  36  -5.112   6.632   5.538
  277    HA   PHE  36           HA       PHE  36  -4.182   8.851   4.062
  278    HB2  PHE  36           HB2      PHE  36  -6.821   8.625   5.521
  279    HB3  PHE  36           HB3      PHE  36  -6.436   9.806   4.285
  280    HD1  PHE  36           HD1      PHE  36  -5.023   7.764   2.427
  281    HD2  PHE  36           HD2      PHE  36  -8.730   7.767   4.515
  282    HE1  PHE  36           HE1      PHE  36  -5.971   6.251   0.752
  283    HE2  PHE  36           HE2      PHE  36  -9.676   6.248   2.844
  284    HZ   PHE  36           HZ       PHE  36  -8.301   5.490   0.965
  285    H    LYS  37           H        LYS  37  -4.947   8.334   7.375
  286    HA   LYS  37           HA       LYS  37  -4.874  10.969   7.979
  287    HB2  LYS  37           HB2      LYS  37  -4.658  10.483  10.311
  288    HB3  LYS  37           HB3      LYS  37  -5.983   9.605   9.552
  289    HG2  LYS  37           HG2      LYS  37  -5.001   8.201  11.212
  290    HG3  LYS  37           HG3      LYS  37  -4.445   7.596   9.653
  291    HD2  LYS  37           HD2      LYS  37  -2.309   8.564   9.932
  292    HD3  LYS  37           HD3      LYS  37  -2.824   9.517  11.310
  293    HE2  LYS  37           HE2      LYS  37  -2.705   6.508  11.244
  294    HE3  LYS  37           HE3      LYS  37  -1.435   7.538  11.890
  295    HZ1  LYS  37           HZ1      LYS  37  -2.819   6.748  13.653
  296    HZ2  LYS  37           HZ2      LYS  37  -4.219   7.354  12.951
  297    HZ3  LYS  37           HZ3      LYS  37  -3.032   8.390  13.514
  298    H    THR  38           H        THR  38  -1.843   8.879   7.775
  299    HA   THR  38           HA       THR  38  -0.533  10.838   9.477
  300    HB   THR  38           HB       THR  38   0.949   9.187   7.481
  301    HG1  THR  38           HG1      THR  38   0.258   7.714   9.657
  302   HG21  THR  38          HG21      THR  38   1.201   9.576  10.473
  303   HG22  THR  38          HG22      THR  38   2.177  10.419   9.278
  304   HG23  THR  38          HG23      THR  38   2.319   8.676   9.459
  305    H    GLU  39           H        GLU  39   1.920  11.572   7.946
  306    HA   GLU  39           HA       GLU  39   0.760  13.353   6.127
  307    HB2  GLU  39           HB2      GLU  39   3.194  14.108   5.589
  308    HB3  GLU  39           HB3      GLU  39   2.377  14.611   7.053
  309    HG2  GLU  39           HG2      GLU  39   4.193  12.239   7.008
  310    HG3  GLU  39           HG3      GLU  39   4.816  13.878   7.179
  311    H    TYR  40           H        TYR  40   2.812  10.785   5.725
  312    HA   TYR  40           HA       TYR  40   3.226  11.291   3.039
  313    HB2  TYR  40           HB2      TYR  40   3.989   8.853   4.649
  314    HB3  TYR  40           HB3      TYR  40   4.509   9.124   2.995
  315    HD1  TYR  40           HD1      TYR  40   5.973  10.999   2.428
  316    HD2  TYR  40           HD2      TYR  40   5.029  10.042   6.456
  317    HE1  TYR  40           HE1      TYR  40   7.886  12.340   3.190
  318    HE2  TYR  40           HE2      TYR  40   6.945  11.385   7.223
  319    HH   TYR  40           HH       TYR  40   9.096  12.130   6.268
  320    H    CYS  41           H        CYS  41   0.690   9.538   4.584
  321    HA   CYS  41           HA       CYS  41   0.086   7.259   3.565
  322    HB2  CYS  41           HB2      CYS  41  -1.778   8.662   4.271
  323    HB3  CYS  41           HB3      CYS  41  -1.831   9.361   2.635
  324    H    TYR  42           H        TYR  42   1.165   6.277   1.923
  325    HA   TYR  42           HA       TYR  42  -0.119   6.506  -0.516
  326    HB2  TYR  42           HB2      TYR  42   1.821   7.053  -2.044
  327    HB3  TYR  42           HB3      TYR  42   1.069   8.367  -1.173
  328    HD1  TYR  42           HD1      TYR  42   3.273   6.553   1.030
  329    HD2  TYR  42           HD2      TYR  42   3.200   9.427  -2.109
  330    HE1  TYR  42           HE1      TYR  42   5.469   7.355   1.698
  331    HE2  TYR  42           HE2      TYR  42   5.395  10.224  -1.431
  332    HH   TYR  42           HH       TYR  42   6.856  10.231   0.388
  333    H    ILE  43           H        ILE  43   2.389   4.780   1.216
  334    HA   ILE  43           HA       ILE  43   2.201   2.932  -1.059
  335    HB   ILE  43           HB       ILE  43   4.375   2.809   1.060
  336   HG12  ILE  43          HG12      ILE  43   4.678   4.935  -0.106
  337   HG13  ILE  43          HG13      ILE  43   5.902   3.769  -0.606
  338   HG21  ILE  43          HG21      ILE  43   4.157   1.565  -1.667
  339   HG22  ILE  43          HG22      ILE  43   3.939   0.742  -0.127
  340   HG23  ILE  43          HG23      ILE  43   5.520   1.395  -0.562
  341   HD11  ILE  43          HD11      ILE  43   3.465   4.569  -2.157
  342   HD12  ILE  43          HD12      ILE  43   4.667   3.374  -2.667
  343   HD13  ILE  43          HD13      ILE  43   5.131   5.065  -2.467
  344    H    VAL  44           H        VAL  44   1.375   0.907  -0.661
  345    HA   VAL  44           HA       VAL  44   0.910   0.302   2.154
  346    HB   VAL  44           HB       VAL  44  -1.019  -0.236   0.018
  347   HG11  VAL  44          HG11      VAL  44  -2.715  -0.406   1.848
  348   HG12  VAL  44          HG12      VAL  44  -1.401  -0.145   2.996
  349   HG13  VAL  44          HG13      VAL  44  -1.392  -1.566   1.956
  350   HG21  VAL  44          HG21      VAL  44  -0.936   2.144  -0.061
  351   HG22  VAL  44          HG22      VAL  44  -1.125   2.280   1.695
  352   HG23  VAL  44          HG23      VAL  44  -2.454   1.692   0.670
  353    H    PHE  45           H        PHE  45   1.201  -1.859   2.590
  354    HA   PHE  45           HA       PHE  45   1.649  -3.672   0.322
  355    HB2  PHE  45           HB2      PHE  45   3.175  -3.543   2.946
  356    HB3  PHE  45           HB3      PHE  45   3.325  -4.823   1.758
  357    HD1  PHE  45           HD1      PHE  45   3.160  -2.485  -0.517
  358    HD2  PHE  45           HD2      PHE  45   5.625  -3.362   2.835
  359    HE1  PHE  45           HE1      PHE  45   5.028  -1.313  -1.580
  360    HE2  PHE  45           HE2      PHE  45   7.494  -2.185   1.759
  361    HZ   PHE  45           HZ       PHE  45   7.182  -1.181  -0.473
  362    H    GLU  46           H        GLU  46   0.384  -5.472   0.565
  363    HA   GLU  46           HA       GLU  46  -0.656  -5.975   3.250
  364    HB2  GLU  46           HB2      GLU  46  -2.313  -5.975   0.723
  365    HB3  GLU  46           HB3      GLU  46  -2.895  -6.238   2.375
  366    HG2  GLU  46           HG2      GLU  46  -2.228  -3.877   2.907
  367    HG3  GLU  46           HG3      GLU  46  -1.793  -3.690   1.222
  368    H    ASP  47           H        ASP  47  -1.294  -8.237   3.454
  369    HA   ASP  47           HA       ASP  47  -0.068  -9.761   1.272
  370    HB2  ASP  47           HB2      ASP  47   1.020 -11.218   2.671
  371    HB3  ASP  47           HB3      ASP  47   1.031  -9.787   3.706
  372    H    THR  48           H        THR  48  -0.999 -11.617   0.641
  373    HA   THR  48           HA       THR  48  -3.878 -11.452   0.992
  374    HB   THR  48           HB       THR  48  -3.012 -11.402  -1.313
  375    HG1  THR  48           HG1      THR  48  -4.864 -12.267  -1.692
  376   HG21  THR  48          HG21      THR  48  -2.034 -14.217  -0.767
  377   HG22  THR  48          HG22      THR  48  -1.019 -12.803  -1.050
  378   HG23  THR  48          HG23      THR  48  -2.040 -13.428  -2.343
  379    H    VAL  49           H        VAL  49  -1.364 -13.311   2.229
  380    HA   VAL  49           HA       VAL  49  -2.821 -15.799   2.323
  381    HB   VAL  49           HB       VAL  49  -0.284 -15.012   3.787
  382   HG11  VAL  49          HG11      VAL  49  -1.385 -16.927   4.814
  383   HG12  VAL  49          HG12      VAL  49   0.101 -17.431   4.003
  384   HG13  VAL  49          HG13      VAL  49  -1.462 -17.741   3.251
  385   HG21  VAL  49          HG21      VAL  49  -0.616 -16.472   1.163
  386   HG22  VAL  49          HG22      VAL  49   0.910 -16.229   2.011
  387   HG23  VAL  49          HG23      VAL  49   0.023 -14.845   1.378
  388    H    ASN  50           H        ASN  50  -1.857 -13.322   4.536
  389    HA   ASN  50           HA       ASN  50  -3.630 -14.367   6.642
  390    HB2  ASN  50           HB2      ASN  50  -1.740 -12.041   6.539
  391    HB3  ASN  50           HB3      ASN  50  -2.623 -12.415   7.990
  392   HD21  ASN  50          HD21      ASN  50  -0.068 -13.127   5.934
  393   HD22  ASN  50          HD22      ASN  50   0.736 -14.346   6.879
  394    H    LYS  51           H        LYS  51  -3.489 -12.052   4.174
  395    HA   LYS  51           HA       LYS  51  -4.544 -10.289   3.563
  396    HB2  LYS  51           HB2      LYS  51  -6.841 -11.717   4.874
  397    HB3  LYS  51           HB3      LYS  51  -7.057 -10.214   3.972
  398    HG2  LYS  51           HG2      LYS  51  -6.110 -11.220   1.990
  399    HG3  LYS  51           HG3      LYS  51  -5.799 -12.716   2.869
  400    HD2  LYS  51           HD2      LYS  51  -8.102 -13.071   3.176
  401    HD3  LYS  51           HD3      LYS  51  -8.511 -11.506   2.450
  402    HE2  LYS  51           HE2      LYS  51  -8.872 -13.256   0.794
  403    HE3  LYS  51           HE3      LYS  51  -7.484 -12.284   0.323
  404    HZ1  LYS  51           HZ1      LYS  51  -6.037 -14.090   1.251
  405    HZ2  LYS  51           HZ2      LYS  51  -7.025 -14.592  -0.017
  406    HZ3  LYS  51           HZ3      LYS  51  -7.427 -14.984   1.556
  407    H    GLU  52           H        GLU  52  -2.948  -9.713   5.188
  408    HA   GLU  52           HA       GLU  52  -4.149  -7.988   7.248
  409    HB2  GLU  52           HB2      GLU  52  -1.305  -9.011   6.945
  410    HB3  GLU  52           HB3      GLU  52  -1.737  -7.749   8.054
  411    HG2  GLU  52           HG2      GLU  52  -3.274  -9.255   9.189
  412    HG3  GLU  52           HG3      GLU  52  -2.722 -10.550   8.127
  413    H    CYS  53           H        CYS  53  -3.606  -5.744   7.300
  414    HA   CYS  53           HA       CYS  53  -2.582  -4.894   4.745
  415    HB2  CYS  53           HB2      CYS  53  -4.000  -2.753   5.410
  416    HB3  CYS  53           HB3      CYS  53  -4.740  -4.131   4.589
  417    H    TYR  54           H        TYR  54  -0.745  -3.819   4.761
  418    HA   TYR  54           HA       TYR  54   0.081  -2.565   7.285
  419    HB2  TYR  54           HB2      TYR  54   1.748  -3.771   5.033
  420    HB3  TYR  54           HB3      TYR  54   2.415  -2.858   6.360
  421    HD1  TYR  54           HD1      TYR  54   0.234  -5.880   5.861
  422    HD2  TYR  54           HD2      TYR  54   3.447  -4.090   8.001
  423    HE1  TYR  54           HE1      TYR  54   0.563  -7.968   7.106
  424    HE2  TYR  54           HE2      TYR  54   3.788  -6.176   9.252
  425    HH   TYR  54           HH       TYR  54   2.254  -9.100   8.363
  426    H    TYR  55           H        TYR  55   0.265  -0.527   7.029
  427    HA   TYR  55           HA       TYR  55   0.390   0.495   4.297
  428    HB2  TYR  55           HB2      TYR  55  -0.764   2.591   5.360
  429    HB3  TYR  55           HB3      TYR  55  -1.722   1.192   4.894
  430    HD1  TYR  55           HD1      TYR  55  -2.638  -0.306   6.597
  431    HD2  TYR  55           HD2      TYR  55  -0.490   3.197   7.681
  432    HE1  TYR  55           HE1      TYR  55  -3.511  -0.495   8.868
  433    HE2  TYR  55           HE2      TYR  55  -1.363   3.009   9.966
  434    HH   TYR  55           HH       TYR  55  -2.887   0.224  11.134
  435    H    ASN  56           H        ASN  56   1.795   1.928   3.715
  436    HA   ASN  56           HA       ASN  56   3.975   2.358   5.592
  437    HB2  ASN  56           HB2      ASN  56   4.554   1.879   3.255
  438    HB3  ASN  56           HB3      ASN  56   3.600   3.293   2.765
  439   HD21  ASN  56          HD21      ASN  56   5.357   4.224   1.776
  440   HD22  ASN  56          HD22      ASN  56   6.612   4.988   2.718
  441    H    VAL  57           H        VAL  57   4.289   3.864   6.754
  442    HA   VAL  57           HA       VAL  57   2.420   6.128   6.488
  443    HB   VAL  57           HB       VAL  57   2.685   6.556   8.935
  444   HG11  VAL  57          HG11      VAL  57   1.287   4.692   9.668
  445   HG12  VAL  57          HG12      VAL  57   1.704   3.803   8.205
  446   HG13  VAL  57          HG13      VAL  57   0.777   5.300   8.093
  447   HG21  VAL  57          HG21      VAL  57   3.624   4.764  10.345
  448   HG22  VAL  57          HG22      VAL  57   4.847   5.491   9.302
  449   HG23  VAL  57          HG23      VAL  57   4.162   3.922   8.892
  450    H    VAL  58           H        VAL  58   5.577   5.363   6.127
  451    HA   VAL  58           HA       VAL  58   6.418   8.181   6.536
  452    HB   VAL  58           HB       VAL  58   8.306   5.785   6.482
  453   HG11  VAL  58          HG11      VAL  58   8.656   8.622   7.439
  454   HG12  VAL  58          HG12      VAL  58   9.597   7.768   6.188
  455   HG13  VAL  58          HG13      VAL  58   9.746   7.324   7.868
  456   HG21  VAL  58          HG21      VAL  58   8.400   5.891   8.940
  457   HG22  VAL  58          HG22      VAL  58   6.817   5.388   8.330
  458   HG23  VAL  58          HG23      VAL  58   7.062   7.036   8.909
  459    H    ASP  59           H        ASP  59   8.616   8.182   4.991
  460    HA   ASP  59           HA       ASP  59   7.520   8.605   2.523
  461    HB2  ASP  59           HB2      ASP  59   9.782   9.013   1.669
  462    HB3  ASP  59           HB3      ASP  59   9.554   9.793   3.222
  463    H    GLY  60           H        GLY  60   7.370   7.536   0.939
  464    HA2  GLY  60           HA2      GLY  60   8.703   4.985   0.508
  465    HA3  GLY  60           HA3      GLY  60   6.940   4.990   0.529
  466    H    GLU  61           H        GLU  61   8.059   7.922  -0.656
  467    HA   GLU  61           HA       GLU  61   7.295   7.372  -3.309
  468    HB2  GLU  61           HB2      GLU  61   8.229   9.661  -3.727
  469    HB3  GLU  61           HB3      GLU  61   7.024   9.587  -2.456
  470    HG2  GLU  61           HG2      GLU  61   8.958   9.492  -0.816
  471    HG3  GLU  61           HG3      GLU  61   9.997   9.916  -2.179
  472    H    GLU  62           H        GLU  62  10.117   7.058  -1.511
  473    HA   GLU  62           HA       GLU  62  11.888   6.832  -3.709
  474    HB2  GLU  62           HB2      GLU  62  12.193   6.001  -0.836
  475    HB3  GLU  62           HB3      GLU  62  13.484   6.004  -2.026
  476    HG2  GLU  62           HG2      GLU  62  11.987   8.399  -0.994
  477    HG3  GLU  62           HG3      GLU  62  13.640   7.937  -0.595
  478    H    LEU  63           H        LEU  63   9.409   4.798  -2.429
  479    HA   LEU  63           HA       LEU  63  10.968   2.416  -2.978
  480    HB2  LEU  63           HB2      LEU  63   8.040   2.665  -2.175
  481    HB3  LEU  63           HB3      LEU  63   8.929   1.172  -2.362
  482    HG   LEU  63           HG       LEU  63   9.558   3.282  -0.312
  483   HD11  LEU  63          HD11      LEU  63   7.420   2.188   0.113
  484   HD12  LEU  63          HD12      LEU  63   8.627   1.706   1.297
  485   HD13  LEU  63          HD13      LEU  63   8.197   0.611  -0.017
  486   HD21  LEU  63          HD21      LEU  63  10.657   0.498  -0.732
  487   HD22  LEU  63          HD22      LEU  63  11.016   1.539   0.644
  488   HD23  LEU  63          HD23      LEU  63  11.527   2.014  -0.968
  489    H    ASP  64           H        ASP  64  11.396   2.207  -5.012
  490    HA   ASP  64           HA       ASP  64   9.259   2.501  -6.970
  491    HB2  ASP  64           HB2      ASP  64  12.220   2.224  -7.242
  492    HB3  ASP  64           HB3      ASP  64  11.158   2.030  -8.636
  493    H    GLN  65           H        GLN  65   8.264   0.902  -7.709
  494    HA   GLN  65           HA       GLN  65   8.274  -1.655  -6.514
  495    HB2  GLN  65           HB2      GLN  65   7.118  -1.381  -9.227
  496    HB3  GLN  65           HB3      GLN  65   6.441  -2.113  -7.795
  497    HG2  GLN  65           HG2      GLN  65   6.586   0.796  -8.466
  498    HG3  GLN  65           HG3      GLN  65   5.151  -0.207  -8.482
  499   HE21  GLN  65          HE21      GLN  65   4.254  -0.847  -6.510
  500   HE22  GLN  65          HE22      GLN  65   4.637   0.004  -5.033
  501    H    GLU  66           H        GLU  66   9.723  -0.403  -9.330
  502    HA   GLU  66           HA       GLU  66  10.202  -2.867 -10.678
  503    HB2  GLU  66           HB2      GLU  66  11.881  -0.455 -11.217
  504    HB3  GLU  66           HB3      GLU  66  11.266  -1.651 -12.343
  505    HG2  GLU  66           HG2      GLU  66   9.974   0.228 -12.857
  506    HG3  GLU  66           HG3      GLU  66   8.944  -0.641 -11.714
  507    H    LYS  67           H        LYS  67  11.877  -1.140  -8.197
  508    HA   LYS  67           HA       LYS  67  14.267  -2.735  -8.641
  509    HB2  LYS  67           HB2      LYS  67  13.780  -0.455  -6.697
  510    HB3  LYS  67           HB3      LYS  67  15.279  -1.369  -6.769
  511    HG2  LYS  67           HG2      LYS  67  15.735   0.558  -8.009
  512    HG3  LYS  67           HG3      LYS  67  15.382  -0.655  -9.235
  513    HD2  LYS  67           HD2      LYS  67  12.952   0.313  -9.174
  514    HD3  LYS  67           HD3      LYS  67  13.703   1.627  -8.276
  515    HE2  LYS  67           HE2      LYS  67  15.268   2.027 -10.111
  516    HE3  LYS  67           HE3      LYS  67  14.481   0.733 -11.019
  517    HZ1  LYS  67           HZ1      LYS  67  13.299   3.363 -10.257
  518    HZ2  LYS  67           HZ2      LYS  67  12.376   2.116 -10.928
  519    HZ3  LYS  67           HZ3      LYS  67  13.631   2.797 -11.785
  520    H    PHE  68           H        PHE  68  11.465  -3.099  -7.296
  521    HA   PHE  68           HA       PHE  68  12.166  -4.568  -4.965
  522    HB2  PHE  68           HB2      PHE  68   9.608  -3.884  -6.329
  523    HB3  PHE  68           HB3      PHE  68   9.651  -5.302  -5.273
  524    HD1  PHE  68           HD1      PHE  68  10.082  -1.623  -5.364
  525    HD2  PHE  68           HD2      PHE  68   9.708  -5.087  -3.001
  526    HE1  PHE  68           HE1      PHE  68   9.704  -0.228  -3.385
  527    HE2  PHE  68           HE2      PHE  68   9.326  -3.736  -1.007
  528    HZ   PHE  68           HZ       PHE  68   9.297  -1.356  -1.141
  529    H    VAL  69           H        VAL  69  11.721  -6.779  -4.682
  530    HA   VAL  69           HA       VAL  69  12.300  -8.424  -7.075
  531    HB   VAL  69           HB       VAL  69  12.972  -8.868  -4.115
  532   HG11  VAL  69          HG11      VAL  69  13.836 -10.471  -6.516
  533   HG12  VAL  69          HG12      VAL  69  12.665 -10.947  -5.282
  534   HG13  VAL  69          HG13      VAL  69  14.363 -10.741  -4.848
  535   HG21  VAL  69          HG21      VAL  69  14.311  -7.060  -5.057
  536   HG22  VAL  69          HG22      VAL  69  14.863  -8.131  -6.339
  537   HG23  VAL  69          HG23      VAL  69  15.309  -8.461  -4.659
  538    H    VAL  70           H        VAL  70  11.232 -10.743  -6.513
  539    HA   VAL  70           HA       VAL  70   8.544  -9.867  -5.967
  540    HB   VAL  70           HB       VAL  70   9.549 -12.410  -6.853
  541   HG11  VAL  70          HG11      VAL  70   7.265 -12.680  -6.057
  542   HG12  VAL  70          HG12      VAL  70   7.201 -12.791  -7.816
  543   HG13  VAL  70          HG13      VAL  70   6.726 -11.295  -7.011
  544   HG21  VAL  70          HG21      VAL  70   8.898 -11.728  -9.205
  545   HG22  VAL  70          HG22      VAL  70  10.221 -10.810  -8.489
  546   HG23  VAL  70          HG23      VAL  70   8.603 -10.113  -8.561
  547    H    ASP  71           H        ASP  71   7.769 -10.056  -3.889
  548    HA   ASP  71           HA       ASP  71   8.113 -12.586  -2.462
  549    HB2  ASP  71           HB2      ASP  71   8.358 -10.442  -1.163
  550    HB3  ASP  71           HB3      ASP  71   6.732 -10.000  -1.698
  551    H    GLU  72           H        GLU  72   6.422 -13.954  -2.482
  552    HA   GLU  72           HA       GLU  72   4.360 -13.297  -4.447
  553    HB2  GLU  72           HB2      GLU  72   5.965 -15.226  -4.633
  554    HB3  GLU  72           HB3      GLU  72   5.112 -15.971  -3.299
  555    HG2  GLU  72           HG2      GLU  72   3.094 -16.062  -4.656
  556    HG3  GLU  72           HG3      GLU  72   3.957 -15.286  -5.989
  557    H    ASN  73           H        ASN  73   4.495 -12.941  -1.228
  558    HA   ASN  73           HA       ASN  73   1.779 -13.969  -0.927
  559    HB2  ASN  73           HB2      ASN  73   2.149 -14.274   1.499
  560    HB3  ASN  73           HB3      ASN  73   3.268 -15.232   0.542
  561   HD21  ASN  73          HD21      ASN  73   5.417 -14.670   0.516
  562   HD22  ASN  73          HD22      ASN  73   6.123 -13.536   1.618
  563    H    PHE  74           H        PHE  74   3.772 -11.216  -0.751
  564    HA   PHE  74           HA       PHE  74   1.575  -9.622   0.329
  565    HB2  PHE  74           HB2      PHE  74   4.514  -9.212   0.150
  566    HB3  PHE  74           HB3      PHE  74   3.497  -7.787   0.013
  567    HD1  PHE  74           HD1      PHE  74   4.389 -10.604   2.213
  568    HD2  PHE  74           HD2      PHE  74   2.462  -6.849   1.873
  569    HE1  PHE  74           HE1      PHE  74   4.170 -10.497   4.670
  570    HE2  PHE  74           HE2      PHE  74   2.229  -6.723   4.315
  571    HZ   PHE  74           HZ       PHE  74   3.062  -8.544   5.722
  572    H    THR  75           H        THR  75   0.921  -7.697  -0.709
  573    HA   THR  75           HA       THR  75   1.141  -7.685  -3.661
  574    HB   THR  75           HB       THR  75  -1.128  -6.741  -3.569
  575    HG1  THR  75           HG1      THR  75  -2.231  -6.736  -1.454
  576   HG21  THR  75          HG21      THR  75  -0.921  -9.286  -1.953
  577   HG22  THR  75          HG22      THR  75  -0.931  -9.181  -3.713
  578   HG23  THR  75          HG23      THR  75  -2.363  -8.715  -2.795
  579    H    GLU  76           H        GLU  76   1.839  -5.747  -4.540
  580    HA   GLU  76           HA       GLU  76   2.294  -3.710  -2.539
  581    HB2  GLU  76           HB2      GLU  76   4.376  -4.552  -3.182
  582    HB3  GLU  76           HB3      GLU  76   3.941  -4.588  -4.888
  583    HG2  GLU  76           HG2      GLU  76   4.102  -2.229  -5.001
  584    HG3  GLU  76           HG3      GLU  76   4.274  -2.107  -3.249
  585    H    ASN  77           H        ASN  77   1.290  -1.883  -2.782
  586    HA   ASN  77           HA       ASN  77   0.480  -1.057  -5.384
  587    HB2  ASN  77           HB2      ASN  77  -1.989  -1.172  -4.935
  588    HB3  ASN  77           HB3      ASN  77  -1.137  -2.638  -4.568
  589   HD21  ASN  77          HD21      ASN  77  -0.273  -1.941  -1.847
  590   HD22  ASN  77          HD22      ASN  77  -1.762  -1.999  -0.975
  591    H    TYR  78           H        TYR  78   0.271   1.185  -5.581
  592    HA   TYR  78           HA       TYR  78   0.796   2.579  -3.113
  593    HB2  TYR  78           HB2      TYR  78   2.895   3.626  -3.866
  594    HB3  TYR  78           HB3      TYR  78   2.995   1.901  -3.993
  595    HD1  TYR  78           HD1      TYR  78   1.831   1.351  -6.671
  596    HD2  TYR  78           HD2      TYR  78   4.349   4.494  -5.316
  597    HE1  TYR  78           HE1      TYR  78   2.784   1.559  -8.931
  598    HE2  TYR  78           HE2      TYR  78   5.295   4.720  -7.564
  599    HH   TYR  78           HH       TYR  78   5.599   3.365  -9.535
  600    H    LEU  79           H        LEU  79   0.285   4.635  -3.020
  601    HA   LEU  79           HA       LEU  79  -1.712   5.407  -4.907
  602    HB2  LEU  79           HB2      LEU  79  -2.312   5.619  -2.639
  603    HB3  LEU  79           HB3      LEU  79  -0.865   6.563  -2.302
  604    HG   LEU  79           HG       LEU  79  -1.704   8.232  -3.915
  605   HD11  LEU  79          HD11      LEU  79  -3.308   6.951  -5.085
  606   HD12  LEU  79          HD12      LEU  79  -4.079   8.357  -4.342
  607   HD13  LEU  79          HD13      LEU  79  -4.284   6.764  -3.624
  608   HD21  LEU  79          HD21      LEU  79  -3.277   7.752  -1.412
  609   HD22  LEU  79          HD22      LEU  79  -3.213   9.279  -2.301
  610   HD23  LEU  79          HD23      LEU  79  -1.740   8.619  -1.569
  611    H    THR  80           H        THR  80  -0.458   5.825  -6.506
  612    HA   THR  80           HA       THR  80   0.234   8.626  -6.582
  613    HB   THR  80           HB       THR  80   2.394   7.501  -6.784
  614    HG1  THR  80           HG1      THR  80   2.613   9.116  -8.045
  615   HG21  THR  80          HG21      THR  80   1.693   5.293  -7.542
  616   HG22  THR  80          HG22      THR  80   2.924   5.940  -8.626
  617   HG23  THR  80          HG23      THR  80   1.227   5.957  -9.107
  618    H    ASP  81           H        ASP  81  -1.590   9.383  -7.447
  619    HA   ASP  81           HA       ASP  81  -2.198   9.331 -10.131
  620    HB2  ASP  81           HB2      ASP  81  -2.809   6.919  -9.887
  621    HB3  ASP  81           HB3      ASP  81  -4.003   7.359  -8.674
  622    H    CYS  82           H        CYS  82  -4.307   8.789  -7.377
  623    HA   CYS  82           HA       CYS  82  -5.800  11.158  -8.075
  624    HB2  CYS  82           HB2      CYS  82  -6.307   9.001  -6.034
  625    HB3  CYS  82           HB3      CYS  82  -7.310  10.433  -6.178
  626    H    GLU  83           H        GLU  83  -4.272   9.951  -5.069
  627    HA   GLU  83           HA       GLU  83  -3.963  10.914  -3.079
  628    HB2  GLU  83           HB2      GLU  83  -2.969  13.207  -4.807
  629    HB3  GLU  83           HB3      GLU  83  -2.736  13.119  -3.070
  630    HG2  GLU  83           HG2      GLU  83  -0.704  12.416  -3.981
  631    HG3  GLU  83           HG3      GLU  83  -1.509  10.935  -3.493
  632    H    GLY  84           H        GLY  84  -6.293  10.764  -3.251
  633    HA2  GLY  84           HA2      GLY  84  -7.983  12.159  -2.087
  634    HA3  GLY  84           HA3      GLY  84  -7.660  13.333  -3.378
  635    H    LYS  85           H        LYS  85  -9.243  10.493  -2.543
  636    HA   LYS  85           HA       LYS  85  -9.403   9.026  -4.866
  637    HB2  LYS  85           HB2      LYS  85 -10.174   8.366  -2.566
  638    HB3  LYS  85           HB3      LYS  85 -11.590   9.343  -2.814
  639    HG2  LYS  85           HG2      LYS  85 -11.051   7.167  -4.767
  640    HG3  LYS  85           HG3      LYS  85 -11.598   6.725  -3.156
  641    HD2  LYS  85           HD2      LYS  85 -13.536   8.319  -3.525
  642    HD3  LYS  85           HD3      LYS  85 -13.007   8.448  -5.204
  643    HE2  LYS  85           HE2      LYS  85 -13.293   6.046  -5.495
  644    HE3  LYS  85           HE3      LYS  85 -13.718   5.880  -3.802
  645    HZ1  LYS  85           HZ1      LYS  85 -15.311   7.389  -5.818
  646    HZ2  LYS  85           HZ2      LYS  85 -15.691   7.223  -4.191
  647    HZ3  LYS  85           HZ3      LYS  85 -15.701   5.879  -5.186
  648    H    ASP  86           H        ASP  86  -9.687   9.939  -6.708
  649    HA   ASP  86           HA       ASP  86 -12.028  11.659  -7.153
  650    HB2  ASP  86           HB2      ASP  86 -10.124  13.054  -7.250
  651    HB3  ASP  86           HB3      ASP  86  -9.226  11.888  -8.206
  652    H    ALA  87           H        ALA  87  -9.771   9.471  -8.851
  653    HA   ALA  87           HA       ALA  87 -11.353   9.252 -11.173
  654    HB1  ALA  87           HB1      ALA  87  -9.328   7.300 -10.085
  655    HB2  ALA  87           HB2      ALA  87  -8.980   8.674 -11.137
  656    HB3  ALA  87           HB3      ALA  87  -9.955   7.332 -11.733
  657    H    GLY  88           H        GLY  88 -11.356   7.518  -8.158
  658    HA2  GLY  88           HA2      GLY  88 -13.488   6.699  -7.382
  659    HA3  GLY  88           HA3      GLY  88 -13.871   6.294  -9.043
  660    H    ASN  89           H        ASN  89 -11.262   5.119  -9.561
  661    HA   ASN  89           HA       ASN  89 -11.906   2.471  -8.856
  662    HB2  ASN  89           HB2      ASN  89  -9.908   1.799 -10.003
  663    HB3  ASN  89           HB3      ASN  89 -10.600   3.124 -10.911
  664   HD21  ASN  89          HD21      ASN  89  -7.917   2.042  -9.040
  665   HD22  ASN  89          HD22      ASN  89  -6.887   3.416  -9.329
  666    H    ALA  90           H        ALA  90 -11.094   1.119  -7.385
  667    HA   ALA  90           HA       ALA  90  -9.120   2.155  -5.510
  668    HB1  ALA  90           HB1      ALA  90 -11.323   2.364  -4.438
  669    HB2  ALA  90           HB2      ALA  90 -10.378   1.088  -3.671
  670    HB3  ALA  90           HB3      ALA  90 -11.662   0.672  -4.804
  671    H    ALA  91           H        ALA  91  -7.610   0.686  -5.041
  672    HA   ALA  91           HA       ALA  91  -7.441  -1.583  -6.763
  673    HB1  ALA  91           HB1      ALA  91  -5.455  -0.253  -6.154
  674    HB2  ALA  91           HB2      ALA  91  -5.272  -1.951  -5.713
  675    HB3  ALA  91           HB3      ALA  91  -5.652  -0.755  -4.474
  676    H    GLY  92           H        GLY  92  -7.836  -1.011  -3.322
  677    HA2  GLY  92           HA2      GLY  92  -8.887  -2.357  -1.760
  678    HA3  GLY  92           HA3      GLY  92  -9.027  -3.632  -2.977
  679    H    THR  93           H        THR  93  -6.869  -4.362  -3.810
  680    HA   THR  93           HA       THR  93  -4.447  -4.193  -2.634
  681    HB   THR  93           HB       THR  93  -5.700  -5.260  -0.630
  682    HG1  THR  93           HG1      THR  93  -3.728  -5.379  -0.464
  683   HG21  THR  93          HG21      THR  93  -6.009  -7.716  -0.704
  684   HG22  THR  93          HG22      THR  93  -5.613  -7.702  -2.423
  685   HG23  THR  93          HG23      THR  93  -7.070  -6.894  -1.849
  686    H    GLY  94           H        GLY  94  -2.985  -5.877  -3.780
  687    HA2  GLY  94           HA2      GLY  94  -4.215  -6.699  -6.236
  688    HA3  GLY  94           HA3      GLY  94  -2.570  -7.040  -5.722
  689    H    ASP  95           H        ASP  95  -3.659  -8.994  -7.001
  690    HA   ASP  95           HA       ASP  95  -3.936 -11.083  -5.004
  691    HB2  ASP  95           HB2      ASP  95  -6.294 -10.314  -5.349
  692    HB3  ASP  95           HB3      ASP  95  -6.126 -10.685  -7.060
  693    H    GLU  96           H        GLU  96  -4.648 -10.423  -8.339
  694    HA   GLU  96           HA       GLU  96  -4.155 -11.318 -10.256
  695    HB2  GLU  96           HB2      GLU  96  -1.402 -11.443  -9.055
  696    HB3  GLU  96           HB3      GLU  96  -1.739 -11.723 -10.755
  697    HG2  GLU  96           HG2      GLU  96  -1.015  -9.472 -10.585
  698    HG3  GLU  96           HG3      GLU  96  -2.761  -9.418 -10.809
  699    H    SER  97           H        SER  97  -5.429 -13.002 -10.222
  700    HA   SER  97           HA       SER  97  -4.379 -15.591  -9.538
  701    HB2  SER  97           HB2      SER  97  -6.968 -14.746 -10.869
  702    HB3  SER  97           HB3      SER  97  -6.607 -16.369 -10.280
  703    HG   SER  97           HG       SER  97  -6.464 -14.122  -8.532
  704    H    ASP  98           H        ASP  98  -4.161 -17.256 -11.224
  705    HA   ASP  98           HA       ASP  98  -2.793 -16.092 -13.464
  706    HB2  ASP  98           HB2      ASP  98  -3.134 -18.994 -12.680
  707    HB3  ASP  98           HB3      ASP  98  -2.181 -18.430 -14.045
  708    H    GLU  99           H        GLU  99  -4.422 -15.206 -14.672
  709    HA   GLU  99           HA       GLU  99  -6.221 -17.159 -15.893
  710    HB2  GLU  99           HB2      GLU  99  -6.503 -14.150 -15.804
  711    HB3  GLU  99           HB3      GLU  99  -7.602 -15.242 -16.624
  712    HG2  GLU  99           HG2      GLU  99  -8.069 -16.309 -14.423
  713    HG3  GLU  99           HG3      GLU  99  -7.102 -15.043 -13.667
  714    H    VAL 100           H        VAL 100  -5.693 -17.847 -17.727
  715    HA   VAL 100           HA       VAL 100  -4.940 -18.184 -19.723
  716    HB   VAL 100           HB       VAL 100  -6.921 -16.973 -20.354
  717   HG11  VAL 100          HG11      VAL 100  -6.559 -14.818 -19.327
  718   HG12  VAL 100          HG12      VAL 100  -6.960 -14.639 -21.034
  719   HG13  VAL 100          HG13      VAL 100  -5.294 -14.445 -20.499
  720   HG21  VAL 100          HG21      VAL 100  -5.588 -17.840 -22.163
  721   HG22  VAL 100          HG22      VAL 100  -4.628 -16.362 -22.207
  722   HG23  VAL 100          HG23      VAL 100  -6.332 -16.319 -22.658
  723    H    ASP 101           H        ASP 101  -3.731 -14.815 -19.502
  724    HA   ASP 101           HA       ASP 101  -1.507 -15.705 -21.131
  725    HB2  ASP 101           HB2      ASP 101  -2.530 -13.452 -21.464
  726    HB3  ASP 101           HB3      ASP 101  -1.921 -12.984 -19.881
  727    H    GLU 102           H        GLU 102  -2.194 -15.393 -17.862
  728    HA   GLU 102           HA       GLU 102   0.554 -15.204 -16.996
  729    HB2  GLU 102           HB2      GLU 102  -1.938 -15.845 -15.415
  730    HB3  GLU 102           HB3      GLU 102  -0.354 -15.526 -14.724
  731    HG2  GLU 102           HG2      GLU 102  -2.075 -13.594 -16.261
  732    HG3  GLU 102           HG3      GLU 102  -1.753 -13.574 -14.528
  733    H    ASP 103           H        ASP 103  -1.779 -17.750 -17.640
  734    HA   ASP 103           HA       ASP 103   0.257 -19.729 -17.339
  735    HB2  ASP 103           HB2      ASP 103  -0.671 -19.612 -15.048
  736    HB3  ASP 103           HB3      ASP 103  -2.287 -19.871 -15.709
  Start of MODEL    4
    1    H1   GLU   1           H1       GLU   1 -15.805   3.344   6.833
    2    H2   GLU   1           H2       GLU   1 -15.477   1.740   6.259
    3    H3   GLU   1           H3       GLU   1 -16.698   2.655   5.573
    4    HA   GLU   1           HA       GLU   1 -15.247   4.161   4.632
    5    HB2  GLU   1           HB2      GLU   1 -13.080   2.670   6.151
    6    HB3  GLU   1           HB3      GLU   1 -12.742   3.736   4.809
    7    HG2  GLU   1           HG2      GLU   1 -12.345   4.856   6.932
    8    HG3  GLU   1           HG3      GLU   1 -13.649   5.633   6.048
    9    H    GLU   2           H        GLU   2 -15.989   3.400   2.788
   10    HA   GLU   2           HA       GLU   2 -15.059   0.783   1.848
   11    HB2  GLU   2           HB2      GLU   2 -17.521   1.273   1.901
   12    HB3  GLU   2           HB3      GLU   2 -17.245   2.597   0.782
   13    HG2  GLU   2           HG2      GLU   2 -16.428   0.962  -0.878
   14    HG3  GLU   2           HG3      GLU   2 -16.835  -0.340   0.237
   15    H    ARG   3           H        ARG   3 -13.959   3.770   1.850
   16    HA   ARG   3           HA       ARG   3 -13.203   3.758  -0.954
   17    HB2  ARG   3           HB2      ARG   3 -13.692   6.046   0.899
   18    HB3  ARG   3           HB3      ARG   3 -12.676   6.220  -0.527
   19    HG2  ARG   3           HG2      ARG   3 -14.462   5.613  -1.955
   20    HG3  ARG   3           HG3      ARG   3 -15.482   5.211  -0.577
   21    HD2  ARG   3           HD2      ARG   3 -15.466   7.522   0.129
   22    HD3  ARG   3           HD3      ARG   3 -14.343   7.958  -1.164
   23    HE   ARG   3           HE       ARG   3 -16.825   6.761  -2.010
   24   HH11  ARG   3          HH11      ARG   3 -15.142   9.836  -1.367
   25   HH12  ARG   3          HH12      ARG   3 -16.200  10.772  -2.289
   26   HH21  ARG   3          HH21      ARG   3 -18.289   8.079  -3.285
   27   HH22  ARG   3          HH22      ARG   3 -18.034   9.759  -3.402
   28    H    GLU   4           H        GLU   4 -11.367   3.319  -1.329
   29    HA   GLU   4           HA       GLU   4  -9.171   3.650   0.608
   30    HB2  GLU   4           HB2      GLU   4  -9.151   2.246  -2.093
   31    HB3  GLU   4           HB3      GLU   4  -7.928   2.221  -0.822
   32    HG2  GLU   4           HG2      GLU   4  -9.251   0.850   0.564
   33    HG3  GLU   4           HG3      GLU   4 -10.684   1.084  -0.428
   34    H    ASP   5           H        ASP   5  -7.281   4.828  -0.261
   35    HA   ASP   5           HA       ASP   5  -7.776   6.964  -2.137
   36    HB2  ASP   5           HB2      ASP   5  -5.020   5.774  -2.043
   37    HB3  ASP   5           HB3      ASP   5  -5.501   7.449  -2.155
   38    H    CYS   6           H        CYS   6  -6.080   6.973  -4.151
   39    HA   CYS   6           HA       CYS   6  -6.956   4.641  -5.474
   40    HB2  CYS   6           HB2      CYS   6  -5.921   5.815  -7.508
   41    HB3  CYS   6           HB3      CYS   6  -7.600   6.208  -7.023
   42    H    TRP   7           H        TRP   7  -5.778   3.014  -5.236
   43    HA   TRP   7           HA       TRP   7  -2.882   3.352  -5.420
   44    HB2  TRP   7           HB2      TRP   7  -4.241   0.763  -4.513
   45    HB3  TRP   7           HB3      TRP   7  -2.646   1.382  -4.172
   46    HD1  TRP   7           HD1      TRP   7  -4.073   4.297  -3.309
   47    HE1  TRP   7           HE1      TRP   7  -5.008   4.397  -0.935
   48    HE3  TRP   7           HE3      TRP   7  -4.409  -0.690  -2.394
   49    HZ2  TRP   7           HZ2      TRP   7  -5.726   2.531   1.146
   50    HZ3  TRP   7           HZ3      TRP   7  -5.206  -1.431  -0.193
   51    HH2  TRP   7           HH2      TRP   7  -5.844   0.197   1.523
   52    H    THR   8           H        THR   8  -1.848   2.551  -7.128
   53    HA   THR   8           HA       THR   8  -3.467   0.984  -8.959
   54    HB   THR   8           HB       THR   8  -2.498   3.082  -9.930
   55    HG1  THR   8           HG1      THR   8  -2.533   1.978 -11.652
   56   HG21  THR   8          HG21      THR   8  -0.072   3.259 -10.356
   57   HG22  THR   8          HG22      THR   8   0.193   1.773  -9.443
   58   HG23  THR   8          HG23      THR   8  -0.409   3.213  -8.625
   59    H    PHE   9           H        PHE   9  -2.884  -1.045  -9.427
   60    HA   PHE   9           HA       PHE   9  -0.956  -2.115  -7.564
   61    HB2  PHE   9           HB2      PHE   9  -3.343  -3.009  -7.851
   62    HB3  PHE   9           HB3      PHE   9  -2.726  -3.750  -9.348
   63    HD1  PHE   9           HD1      PHE   9  -1.979  -3.363  -5.820
   64    HD2  PHE   9           HD2      PHE   9  -1.705  -5.842  -9.223
   65    HE1  PHE   9           HE1      PHE   9  -0.989  -5.105  -4.431
   66    HE2  PHE   9           HE2      PHE   9  -0.705  -7.627  -7.845
   67    HZ   PHE   9           HZ       PHE   9  -0.342  -7.218  -5.406
   68    H    TYR  10           H        TYR  10   0.979  -2.796  -8.157
   69    HA   TYR  10           HA       TYR  10   1.522  -2.764 -10.998
   70    HB2  TYR  10           HB2      TYR  10   3.056  -1.552  -9.463
   71    HB3  TYR  10           HB3      TYR  10   3.518  -3.064  -8.716
   72    HD1  TYR  10           HD1      TYR  10   3.868  -0.924 -11.656
   73    HD2  TYR  10           HD2      TYR  10   4.962  -4.664  -9.951
   74    HE1  TYR  10           HE1      TYR  10   5.629  -1.172 -13.346
   75    HE2  TYR  10           HE2      TYR  10   6.731  -4.913 -11.633
   76    HH   TYR  10           HH       TYR  10   7.735  -2.359 -13.637
   77    H    ALA  11           H        ALA  11   2.276  -5.055  -8.258
   78    HA   ALA  11           HA       ALA  11   1.503  -7.322  -9.685
   79    HB1  ALA  11           HB1      ALA  11   3.446  -6.816 -11.109
   80    HB2  ALA  11           HB2      ALA  11   3.716  -8.276 -10.155
   81    HB3  ALA  11           HB3      ALA  11   4.477  -6.760  -9.676
   82    H    ASN  12           H        ASN  12   2.199  -9.309  -8.386
   83    HA   ASN  12           HA       ASN  12   2.629  -8.426  -5.643
   84    HB2  ASN  12           HB2      ASN  12   2.311 -11.224  -6.808
   85    HB3  ASN  12           HB3      ASN  12   2.650 -10.907  -5.097
   86   HD21  ASN  12          HD21      ASN  12   0.399  -9.210  -7.253
   87   HD22  ASN  12          HD22      ASN  12  -1.021  -9.635  -6.340
   88    H    ARG  13           H        ARG  13   4.515  -8.034  -4.996
   89    HA   ARG  13           HA       ARG  13   6.801  -9.629  -5.516
   90    HB2  ARG  13           HB2      ARG  13   6.878  -6.643  -6.036
   91    HB3  ARG  13           HB3      ARG  13   8.236  -7.725  -6.085
   92    HG2  ARG  13           HG2      ARG  13   7.270  -8.787  -8.124
   93    HG3  ARG  13           HG3      ARG  13   5.985  -7.578  -8.080
   94    HD2  ARG  13           HD2      ARG  13   7.631  -5.788  -8.236
   95    HD3  ARG  13           HD3      ARG  13   8.934  -6.971  -8.233
   96    HE   ARG  13           HE       ARG  13   7.001  -7.287 -10.341
   97   HH11  ARG  13          HH11      ARG  13  10.153  -5.932  -9.425
   98   HH12  ARG  13          HH12      ARG  13  10.627  -5.617 -11.036
   99   HH21  ARG  13          HH21      ARG  13   7.695  -6.829 -12.567
  100   HH22  ARG  13          HH22      ARG  13   9.232  -6.143 -12.827
  101    H    LYS  14           H        LYS  14   8.528  -8.804  -3.851
  102    HA   LYS  14           HA       LYS  14   7.914  -6.438  -2.562
  103    HB2  LYS  14           HB2      LYS  14   6.541  -8.069  -1.411
  104    HB3  LYS  14           HB3      LYS  14   8.043  -8.725  -0.746
  105    HG2  LYS  14           HG2      LYS  14   8.426  -6.963   0.579
  106    HG3  LYS  14           HG3      LYS  14   7.597  -5.784  -0.461
  107    HD2  LYS  14           HD2      LYS  14   6.165  -8.046   0.406
  108    HD3  LYS  14           HD3      LYS  14   6.477  -6.891   1.756
  109    HE2  LYS  14           HE2      LYS  14   4.304  -6.303   0.756
  110    HE3  LYS  14           HE3      LYS  14   5.518  -5.137   0.211
  111    HZ1  LYS  14           HZ1      LYS  14   3.889  -5.984  -1.488
  112    HZ2  LYS  14           HZ2      LYS  14   4.756  -7.416  -1.529
  113    HZ3  LYS  14           HZ3      LYS  14   5.482  -5.964  -1.949
  114    H    TYR  15           H        TYR  15   9.615  -5.482  -1.567
  115    HA   TYR  15           HA       TYR  15  12.188  -6.614  -2.267
  116    HB2  TYR  15           HB2      TYR  15  11.383  -4.228  -2.767
  117    HB3  TYR  15           HB3      TYR  15  11.618  -3.900  -1.065
  118    HD1  TYR  15           HD1      TYR  15  14.144  -6.117  -2.439
  119    HD2  TYR  15           HD2      TYR  15  13.034  -2.022  -2.017
  120    HE1  TYR  15           HE1      TYR  15  16.446  -5.438  -2.949
  121    HE2  TYR  15           HE2      TYR  15  15.335  -1.341  -2.513
  122    HH   TYR  15           HH       TYR  15  17.560  -2.249  -2.428
  123    H    THR  16           H        THR  16  10.931  -7.945  -0.242
  124    HA   THR  16           HA       THR  16  11.184  -8.954   1.591
  125    HB   THR  16           HB       THR  16  13.551  -9.179   2.558
  126    HG1  THR  16           HG1      THR  16  14.451  -7.261   1.627
  127   HG21  THR  16          HG21      THR  16  14.153 -10.637   0.717
  128   HG22  THR  16          HG22      THR  16  13.004  -9.804  -0.330
  129   HG23  THR  16          HG23      THR  16  12.422 -10.756   1.036
  130    H    ASP  17           H        ASP  17  12.080  -5.603   2.275
  131    HA   ASP  17           HA       ASP  17  11.440  -6.259   5.051
  132    HB2  ASP  17           HB2      ASP  17  12.859  -4.472   5.847
  133    HB3  ASP  17           HB3      ASP  17  13.796  -5.563   4.841
  134    H    PHE  18           H        PHE  18  10.860  -4.437   6.260
  135    HA   PHE  18           HA       PHE  18   9.018  -2.566   4.918
  136    HB2  PHE  18           HB2      PHE  18   8.578  -3.989   7.572
  137    HB3  PHE  18           HB3      PHE  18   7.512  -2.773   6.884
  138    HD1  PHE  18           HD1      PHE  18   6.269  -3.295   4.783
  139    HD2  PHE  18           HD2      PHE  18   8.450  -6.254   6.923
  140    HE1  PHE  18           HE1      PHE  18   5.029  -5.062   3.599
  141    HE2  PHE  18           HE2      PHE  18   7.219  -8.022   5.743
  142    HZ   PHE  18           HZ       PHE  18   5.508  -7.428   4.080
  143    H    ASP  19           H        ASP  19  11.793  -2.237   5.660
  144    HA   ASP  19           HA       ASP  19  12.332  -0.974   8.113
  145    HB2  ASP  19           HB2      ASP  19  14.157  -1.731   6.787
  146    HB3  ASP  19           HB3      ASP  19  13.616  -0.824   5.389
  147    H    LYS  20           H        LYS  20  10.689   0.097   5.459
  148    HA   LYS  20           HA       LYS  20  11.094   2.892   5.797
  149    HB2  LYS  20           HB2      LYS  20   9.168   3.022   4.023
  150    HB3  LYS  20           HB3      LYS  20  10.790   2.585   3.558
  151    HG2  LYS  20           HG2      LYS  20   8.588   0.567   4.064
  152    HG3  LYS  20           HG3      LYS  20   8.898   1.269   2.489
  153    HD2  LYS  20           HD2      LYS  20  10.661  -0.672   4.053
  154    HD3  LYS  20           HD3      LYS  20   9.970  -0.835   2.457
  155    HE2  LYS  20           HE2      LYS  20  11.446   0.930   1.603
  156    HE3  LYS  20           HE3      LYS  20  12.136   1.122   3.211
  157    HZ1  LYS  20           HZ1      LYS  20  13.582  -0.188   1.951
  158    HZ2  LYS  20           HZ2      LYS  20  12.393  -1.257   1.442
  159    HZ3  LYS  20           HZ3      LYS  20  12.865  -1.253   3.045
  160    H    SER  21           H        SER  21   9.328   0.845   7.549
  161    HA   SER  21           HA       SER  21   8.077   1.172   9.316
  162    HB2  SER  21           HB2      SER  21   8.213   4.097   8.666
  163    HB3  SER  21           HB3      SER  21   7.579   3.436  10.179
  164    HG   SER  21           HG       SER  21  10.124   3.832   9.349
  165    H    PHE  22           H        PHE  22   6.449   0.051   8.928
  166    HA   PHE  22           HA       PHE  22   4.101   1.276   7.653
  167    HB2  PHE  22           HB2      PHE  22   5.137  -1.560   7.552
  168    HB3  PHE  22           HB3      PHE  22   3.465  -1.139   7.162
  169    HD1  PHE  22           HD1      PHE  22   5.846   1.340   6.276
  170    HD2  PHE  22           HD2      PHE  22   4.031  -2.243   4.978
  171    HE1  PHE  22           HE1      PHE  22   6.488   1.880   4.123
  172    HE2  PHE  22           HE2      PHE  22   4.711  -1.739   2.694
  173    HZ   PHE  22           HZ       PHE  22   5.965   0.291   2.202
  174    H    LYS  23           H        LYS  23   2.153   0.680   8.672
  175    HA   LYS  23           HA       LYS  23   2.512  -0.547  11.320
  176    HB2  LYS  23           HB2      LYS  23   1.795   1.857  11.331
  177    HB3  LYS  23           HB3      LYS  23   0.365   1.405  10.425
  178    HG2  LYS  23           HG2      LYS  23  -0.433   0.069  12.299
  179    HG3  LYS  23           HG3      LYS  23   1.034   0.444  13.205
  180    HD2  LYS  23           HD2      LYS  23  -1.004   2.490  12.272
  181    HD3  LYS  23           HD3      LYS  23  -0.901   1.831  13.903
  182    HE2  LYS  23           HE2      LYS  23   1.360   2.762  14.130
  183    HE3  LYS  23           HE3      LYS  23   1.256   3.431  12.502
  184    HZ1  LYS  23           HZ1      LYS  23   0.774   5.113  14.167
  185    HZ2  LYS  23           HZ2      LYS  23  -0.480   4.192  14.802
  186    HZ3  LYS  23           HZ3      LYS  23  -0.585   4.822  13.246
  187    H    LYS  24           H        LYS  24   1.180  -2.330  11.756
  188    HA   LYS  24           HA       LYS  24  -0.589  -3.165   9.517
  189    HB2  LYS  24           HB2      LYS  24   0.445  -5.103   9.253
  190    HB3  LYS  24           HB3      LYS  24   1.801  -4.367  10.052
  191    HG2  LYS  24           HG2      LYS  24   1.186  -5.305  12.194
  192    HG3  LYS  24           HG3      LYS  24  -0.297  -5.963  11.519
  193    HD2  LYS  24           HD2      LYS  24   1.048  -7.404  10.043
  194    HD3  LYS  24           HD3      LYS  24   2.515  -6.764  10.789
  195    HE2  LYS  24           HE2      LYS  24   1.919  -8.916  11.776
  196    HE3  LYS  24           HE3      LYS  24   1.783  -7.625  12.964
  197    HZ1  LYS  24           HZ1      LYS  24  -0.640  -7.641  12.637
  198    HZ2  LYS  24           HZ2      LYS  24  -0.089  -9.164  13.064
  199    HZ3  LYS  24           HZ3      LYS  24  -0.492  -8.855  11.476
  200    H    SER  25           H        SER  25  -2.463  -3.329   9.989
  201    HA   SER  25           HA       SER  25  -3.327  -4.797  12.294
  202    HB2  SER  25           HB2      SER  25  -4.527  -2.096  11.573
  203    HB3  SER  25           HB3      SER  25  -4.929  -3.105  12.966
  204    HG   SER  25           HG       SER  25  -2.386  -2.699  13.088
  205    H    SER  26           H        SER  26  -5.003  -6.152  11.257
  206    HA   SER  26           HA       SER  26  -5.495  -5.124   8.587
  207    HB2  SER  26           HB2      SER  26  -6.026  -7.875   9.702
  208    HB3  SER  26           HB3      SER  26  -6.166  -7.373   8.010
  209    HG   SER  26           HG       SER  26  -4.024  -8.302   9.135
  210    H    ASP  27           H        ASP  27  -6.872  -3.695   8.808
  211    HA   ASP  27           HA       ASP  27  -9.765  -4.310   9.215
  212    HB2  ASP  27           HB2      ASP  27  -8.232  -1.889   9.973
  213    HB3  ASP  27           HB3      ASP  27  -9.993  -2.057   9.980
  214    H    LEU  28           H        LEU  28 -10.608  -4.249   7.366
  215    HA   LEU  28           HA       LEU  28  -9.133  -3.108   5.217
  216    HB2  LEU  28           HB2      LEU  28 -10.910  -4.948   5.086
  217    HB3  LEU  28           HB3      LEU  28 -12.108  -3.696   5.265
  218    HG   LEU  28           HG       LEU  28 -10.196  -3.879   2.917
  219   HD11  LEU  28          HD11      LEU  28 -11.647  -5.824   3.012
  220   HD12  LEU  28          HD12      LEU  28 -12.088  -4.769   1.670
  221   HD13  LEU  28          HD13      LEU  28 -13.061  -4.778   3.142
  222   HD21  LEU  28          HD21      LEU  28 -11.770  -2.369   1.814
  223   HD22  LEU  28          HD22      LEU  28 -11.128  -1.631   3.282
  224   HD23  LEU  28          HD23      LEU  28 -12.757  -2.307   3.274
  225    H    ASP  29           H        ASP  29 -12.006  -1.916   6.954
  226    HA   ASP  29           HA       ASP  29 -12.177   0.586   5.649
  227    HB2  ASP  29           HB2      ASP  29 -12.832  -0.052   8.501
  228    HB3  ASP  29           HB3      ASP  29 -13.385   1.371   7.650
  229    H    GLU  30           H        GLU  30 -10.661  -0.477   8.642
  230    HA   GLU  30           HA       GLU  30  -9.903   2.094   9.315
  231    HB2  GLU  30           HB2      GLU  30  -9.136  -0.458  10.734
  232    HB3  GLU  30           HB3      GLU  30  -8.591   1.126  11.220
  233    HG2  GLU  30           HG2      GLU  30 -10.495   0.337  12.541
  234    HG3  GLU  30           HG3      GLU  30 -10.843   1.827  11.678
  235    H    CYS  31           H        CYS  31  -8.154  -0.381   7.750
  236    HA   CYS  31           HA       CYS  31  -5.583   0.742   8.036
  237    HB2  CYS  31           HB2      CYS  31  -6.835  -0.913   5.881
  238    HB3  CYS  31           HB3      CYS  31  -5.193  -0.260   5.687
  239    H    LYS  32           H        LYS  32  -7.975   1.434   5.605
  240    HA   LYS  32           HA       LYS  32  -6.173   3.031   4.129
  241    HB2  LYS  32           HB2      LYS  32  -9.256   3.165   3.881
  242    HB3  LYS  32           HB3      LYS  32  -8.047   3.796   2.877
  243    HG2  LYS  32           HG2      LYS  32  -9.267   1.519   2.352
  244    HG3  LYS  32           HG3      LYS  32  -7.675   1.941   1.723
  245    HD2  LYS  32           HD2      LYS  32  -6.683   0.646   3.608
  246    HD3  LYS  32           HD3      LYS  32  -8.290   0.261   4.154
  247    HE2  LYS  32           HE2      LYS  32  -8.808  -1.167   2.446
  248    HE3  LYS  32           HE3      LYS  32  -7.682  -0.450   1.311
  249    HZ1  LYS  32           HZ1      LYS  32  -5.865  -1.531   2.479
  250    HZ2  LYS  32           HZ2      LYS  32  -6.983  -2.666   1.998
  251    HZ3  LYS  32           HZ3      LYS  32  -6.910  -2.245   3.608
  252    H    LYS  33           H        LYS  33  -8.630   3.471   6.470
  253    HA   LYS  33           HA       LYS  33  -8.577   6.238   6.511
  254    HB2  LYS  33           HB2      LYS  33 -10.249   6.033   8.077
  255    HB3  LYS  33           HB3      LYS  33 -10.166   4.335   7.597
  256    HG2  LYS  33           HG2      LYS  33  -8.779   3.792   9.295
  257    HG3  LYS  33           HG3      LYS  33  -8.673   5.473   9.883
  258    HD2  LYS  33           HD2      LYS  33 -11.215   3.771   9.733
  259    HD3  LYS  33           HD3      LYS  33 -10.331   4.091  11.223
  260    HE2  LYS  33           HE2      LYS  33 -10.892   6.424  11.125
  261    HE3  LYS  33           HE3      LYS  33 -11.550   6.260   9.501
  262    HZ1  LYS  33           HZ1      LYS  33 -12.672   4.914  11.892
  263    HZ2  LYS  33           HZ2      LYS  33 -13.271   4.892  10.321
  264    HZ3  LYS  33           HZ3      LYS  33 -13.277   6.330  11.222
  265    H    THR  34           H        THR  34  -6.707   3.801   8.420
  266    HA   THR  34           HA       THR  34  -5.449   5.687  10.052
  267    HB   THR  34           HB       THR  34  -4.303   2.976   9.281
  268    HG1  THR  34           HG1      THR  34  -6.473   2.803  10.086
  269   HG21  THR  34          HG21      THR  34  -3.274   3.126  11.509
  270   HG22  THR  34          HG22      THR  34  -4.018   4.707  11.751
  271   HG23  THR  34          HG23      THR  34  -2.792   4.492  10.501
  272    H    CYS  35           H        CYS  35  -4.640   4.259   6.887
  273    HA   CYS  35           HA       CYS  35  -2.151   5.553   6.603
  274    HB2  CYS  35           HB2      CYS  35  -2.891   3.774   5.050
  275    HB3  CYS  35           HB3      CYS  35  -4.203   4.803   4.496
  276    H    PHE  36           H        PHE  36  -5.460   6.632   5.907
  277    HA   PHE  36           HA       PHE  36  -4.770   8.959   4.476
  278    HB2  PHE  36           HB2      PHE  36  -7.221   8.605   6.251
  279    HB3  PHE  36           HB3      PHE  36  -7.023   9.833   5.029
  280    HD1  PHE  36           HD1      PHE  36  -5.858   7.674   2.975
  281    HD2  PHE  36           HD2      PHE  36  -9.340   7.945   5.399
  282    HE1  PHE  36           HE1      PHE  36  -7.082   6.239   1.399
  283    HE2  PHE  36           HE2      PHE  36 -10.558   6.503   3.828
  284    HZ   PHE  36           HZ       PHE  36  -9.415   5.638   1.814
  285    H    LYS  37           H        LYS  37  -5.274   8.228   7.832
  286    HA   LYS  37           HA       LYS  37  -5.054  10.725   8.821
  287    HB2  LYS  37           HB2      LYS  37  -4.418   8.102  10.023
  288    HB3  LYS  37           HB3      LYS  37  -4.069   9.587  10.891
  289    HG2  LYS  37           HG2      LYS  37  -6.772   8.766   9.844
  290    HG3  LYS  37           HG3      LYS  37  -6.217   8.640  11.517
  291    HD2  LYS  37           HD2      LYS  37  -5.871  11.109  11.532
  292    HD3  LYS  37           HD3      LYS  37  -6.586  11.187   9.925
  293    HE2  LYS  37           HE2      LYS  37  -7.935  10.188  12.420
  294    HE3  LYS  37           HE3      LYS  37  -8.208  11.746  11.645
  295    HZ1  LYS  37           HZ1      LYS  37  -9.923  10.199  11.060
  296    HZ2  LYS  37           HZ2      LYS  37  -8.814   9.083  10.463
  297    HZ3  LYS  37           HZ3      LYS  37  -9.027  10.555   9.685
  298    H    THR  38           H        THR  38  -1.887   8.801   7.893
  299    HA   THR  38           HA       THR  38  -0.591  10.815   9.563
  300    HB   THR  38           HB       THR  38   0.864   9.348   7.401
  301    HG1  THR  38           HG1      THR  38  -0.698   8.263   9.428
  302   HG21  THR  38          HG21      THR  38   2.534   9.040   9.191
  303   HG22  THR  38          HG22      THR  38   1.440   9.750  10.358
  304   HG23  THR  38          HG23      THR  38   2.149  10.753   9.109
  305    H    GLU  39           H        GLU  39   1.583  11.751   7.805
  306    HA   GLU  39           HA       GLU  39   0.244  13.538   6.085
  307    HB2  GLU  39           HB2      GLU  39   3.192  13.203   6.546
  308    HB3  GLU  39           HB3      GLU  39   2.499  14.380   5.444
  309    HG2  GLU  39           HG2      GLU  39   3.029  15.504   7.493
  310    HG3  GLU  39           HG3      GLU  39   1.282  15.388   7.372
  311    H    TYR  40           H        TYR  40   2.286  10.975   5.697
  312    HA   TYR  40           HA       TYR  40   2.761  11.367   3.008
  313    HB2  TYR  40           HB2      TYR  40   3.387   8.957   4.695
  314    HB3  TYR  40           HB3      TYR  40   4.031   9.259   3.089
  315    HD1  TYR  40           HD1      TYR  40   5.556  11.130   2.692
  316    HD2  TYR  40           HD2      TYR  40   4.282  10.095   6.606
  317    HE1  TYR  40           HE1      TYR  40   7.430  12.411   3.640
  318    HE2  TYR  40           HE2      TYR  40   6.146  11.364   7.556
  319    HH   TYR  40           HH       TYR  40   8.029  13.496   5.662
  320    H    CYS  41           H        CYS  41   0.267   9.638   4.614
  321    HA   CYS  41           HA       CYS  41  -0.284   7.292   3.605
  322    HB2  CYS  41           HB2      CYS  41  -2.100   8.629   4.488
  323    HB3  CYS  41           HB3      CYS  41  -2.274   9.401   2.899
  324    H    TYR  42           H        TYR  42   0.688   6.378   1.824
  325    HA   TYR  42           HA       TYR  42  -0.671   6.705  -0.601
  326    HB2  TYR  42           HB2      TYR  42   1.218   7.430  -2.110
  327    HB3  TYR  42           HB3      TYR  42   0.508   8.661  -1.092
  328    HD1  TYR  42           HD1      TYR  42   2.755   6.572   0.767
  329    HD2  TYR  42           HD2      TYR  42   2.588   9.861  -1.912
  330    HE1  TYR  42           HE1      TYR  42   4.988   7.284   1.493
  331    HE2  TYR  42           HE2      TYR  42   4.804  10.577  -1.188
  332    HH   TYR  42           HH       TYR  42   6.249  10.325   0.705
  333    H    ILE  43           H        ILE  43   1.448   4.670   1.189
  334    HA   ILE  43           HA       ILE  43   1.443   2.989  -1.213
  335    HB   ILE  43           HB       ILE  43   3.717   2.795   0.802
  336   HG12  ILE  43          HG12      ILE  43   3.887   5.069  -0.238
  337   HG13  ILE  43          HG13      ILE  43   5.226   4.022  -0.659
  338   HG21  ILE  43          HG21      ILE  43   3.426   1.794  -2.005
  339   HG22  ILE  43          HG22      ILE  43   3.296   0.848  -0.526
  340   HG23  ILE  43          HG23      ILE  43   4.840   1.557  -0.983
  341   HD11  ILE  43          HD11      ILE  43   2.873   4.678  -2.411
  342   HD12  ILE  43          HD12      ILE  43   4.233   3.645  -2.848
  343   HD13  ILE  43          HD13      ILE  43   4.493   5.366  -2.538
  344    H    VAL  44           H        VAL  44   0.813   0.841  -0.744
  345    HA   VAL  44           HA       VAL  44   0.561   0.220   2.100
  346    HB   VAL  44           HB       VAL  44  -1.439  -0.579   0.126
  347   HG11  VAL  44          HG11      VAL  44  -3.000  -0.818   2.057
  348   HG12  VAL  44          HG12      VAL  44  -1.656  -0.372   3.106
  349   HG13  VAL  44          HG13      VAL  44  -1.560  -1.835   2.124
  350   HG21  VAL  44          HG21      VAL  44  -1.692   1.749  -0.128
  351   HG22  VAL  44          HG22      VAL  44  -1.670   2.034   1.623
  352   HG23  VAL  44          HG23      VAL  44  -3.036   1.216   0.839
  353    H    PHE  45           H        PHE  45   0.910  -2.022   2.484
  354    HA   PHE  45           HA       PHE  45   1.307  -3.697   0.112
  355    HB2  PHE  45           HB2      PHE  45   3.116  -3.490   2.544
  356    HB3  PHE  45           HB3      PHE  45   3.147  -4.844   1.441
  357    HD1  PHE  45           HD1      PHE  45   2.713  -2.424  -0.859
  358    HD2  PHE  45           HD2      PHE  45   5.611  -3.513   2.050
  359    HE1  PHE  45           HE1      PHE  45   4.459  -1.305  -2.163
  360    HE2  PHE  45           HE2      PHE  45   7.347  -2.409   0.745
  361    HZ   PHE  45           HZ       PHE  45   6.784  -1.307  -1.364
  362    H    GLU  46           H        GLU  46   0.150  -5.610   0.375
  363    HA   GLU  46           HA       GLU  46  -0.595  -6.178   3.139
  364    HB2  GLU  46           HB2      GLU  46  -2.313  -6.686   0.708
  365    HB3  GLU  46           HB3      GLU  46  -2.721  -7.120   2.368
  366    HG2  GLU  46           HG2      GLU  46  -2.598  -4.529   2.788
  367    HG3  GLU  46           HG3      GLU  46  -2.651  -4.439   1.047
  368    H    ASP  47           H        ASP  47  -0.901  -8.323   3.605
  369    HA   ASP  47           HA       ASP  47   0.815 -10.188   2.133
  370    HB2  ASP  47           HB2      ASP  47   0.828 -10.135   4.635
  371    HB3  ASP  47           HB3      ASP  47  -0.892 -10.558   4.593
  372    H    THR  48           H        THR  48  -0.070 -11.478   0.631
  373    HA   THR  48           HA       THR  48  -2.724 -11.153  -0.248
  374    HB   THR  48           HB       THR  48  -0.933 -13.462  -0.984
  375    HG1  THR  48           HG1      THR  48  -0.451 -11.403  -2.587
  376   HG21  THR  48          HG21      THR  48  -1.896 -13.071  -3.210
  377   HG22  THR  48          HG22      THR  48  -2.801 -11.695  -2.579
  378   HG23  THR  48          HG23      THR  48  -3.167 -13.328  -2.018
  379    H    VAL  49           H        VAL  49  -1.179 -13.496   1.823
  380    HA   VAL  49           HA       VAL  49  -3.135 -15.593   1.385
  381    HB   VAL  49           HB       VAL  49  -0.812 -15.455   3.323
  382   HG11  VAL  49          HG11      VAL  49  -2.376 -17.833   2.356
  383   HG12  VAL  49          HG12      VAL  49  -2.444 -17.129   3.970
  384   HG13  VAL  49          HG13      VAL  49  -0.958 -17.891   3.401
  385   HG21  VAL  49          HG21      VAL  49   0.426 -16.807   1.696
  386   HG22  VAL  49          HG22      VAL  49  -0.019 -15.236   1.037
  387   HG23  VAL  49          HG23      VAL  49  -0.922 -16.679   0.568
  388    H    ASN  50           H        ASN  50  -2.042 -13.517   3.885
  389    HA   ASN  50           HA       ASN  50  -4.076 -14.425   5.769
  390    HB2  ASN  50           HB2      ASN  50  -1.744 -12.547   5.958
  391    HB3  ASN  50           HB3      ASN  50  -2.770 -12.877   7.332
  392   HD21  ASN  50          HD21      ASN  50  -0.335 -14.079   5.171
  393   HD22  ASN  50          HD22      ASN  50   0.049 -15.522   6.055
  394    H    LYS  51           H        LYS  51  -3.558 -11.972   3.506
  395    HA   LYS  51           HA       LYS  51  -4.373  -9.950   3.039
  396    HB2  LYS  51           HB2      LYS  51  -6.746 -10.958   4.627
  397    HB3  LYS  51           HB3      LYS  51  -6.749  -9.392   3.840
  398    HG2  LYS  51           HG2      LYS  51  -6.382 -12.039   2.446
  399    HG3  LYS  51           HG3      LYS  51  -7.891 -11.140   2.533
  400    HD2  LYS  51           HD2      LYS  51  -5.380  -9.968   1.299
  401    HD3  LYS  51           HD3      LYS  51  -6.513 -10.937   0.381
  402    HE2  LYS  51           HE2      LYS  51  -7.081  -8.668  -0.060
  403    HE3  LYS  51           HE3      LYS  51  -8.308  -9.276   1.030
  404    HZ1  LYS  51           HZ1      LYS  51  -7.695  -7.089   1.630
  405    HZ2  LYS  51           HZ2      LYS  51  -6.058  -7.408   1.740
  406    HZ3  LYS  51           HZ3      LYS  51  -7.170  -8.059   2.854
  407    H    GLU  52           H        GLU  52  -2.623 -10.222   4.939
  408    HA   GLU  52           HA       GLU  52  -3.295  -8.617   7.268
  409    HB2  GLU  52           HB2      GLU  52  -0.643  -9.816   6.356
  410    HB3  GLU  52           HB3      GLU  52  -0.743  -8.639   7.633
  411    HG2  GLU  52           HG2      GLU  52  -2.417 -11.058   7.759
  412    HG3  GLU  52           HG3      GLU  52  -0.723 -11.097   8.280
  413    H    CYS  53           H        CYS  53  -2.752  -6.460   7.607
  414    HA   CYS  53           HA       CYS  53  -2.402  -5.180   5.031
  415    HB2  CYS  53           HB2      CYS  53  -4.636  -5.057   5.919
  416    HB3  CYS  53           HB3      CYS  53  -3.991  -4.491   7.465
  417    H    TYR  54           H        TYR  54  -0.504  -4.157   4.900
  418    HA   TYR  54           HA       TYR  54   0.503  -2.893   7.339
  419    HB2  TYR  54           HB2      TYR  54   2.068  -3.844   4.903
  420    HB3  TYR  54           HB3      TYR  54   2.712  -3.033   6.322
  421    HD1  TYR  54           HD1      TYR  54   0.729  -6.135   5.550
  422    HD2  TYR  54           HD2      TYR  54   3.892  -4.367   7.780
  423    HE1  TYR  54           HE1      TYR  54   1.273  -8.329   6.507
  424    HE2  TYR  54           HE2      TYR  54   4.431  -6.555   8.754
  425    HH   TYR  54           HH       TYR  54   2.993  -9.486   7.562
  426    H    TYR  55           H        TYR  55   0.509  -0.827   7.096
  427    HA   TYR  55           HA       TYR  55   0.307   0.185   4.370
  428    HB2  TYR  55           HB2      TYR  55  -0.964   2.205   5.522
  429    HB3  TYR  55           HB3      TYR  55  -1.805   0.744   5.039
  430    HD1  TYR  55           HD1      TYR  55  -2.580  -0.850   6.715
  431    HD2  TYR  55           HD2      TYR  55  -0.674   2.764   7.866
  432    HE1  TYR  55           HE1      TYR  55  -3.417  -1.158   8.998
  433    HE2  TYR  55           HE2      TYR  55  -1.509   2.468  10.150
  434    HH   TYR  55           HH       TYR  55  -2.829  -0.441  11.297
  435    H    ASN  56           H        ASN  56   1.535   1.682   3.621
  436    HA   ASN  56           HA       ASN  56   3.917   2.351   5.165
  437    HB2  ASN  56           HB2      ASN  56   4.143   1.995   2.768
  438    HB3  ASN  56           HB3      ASN  56   2.895   3.220   2.476
  439   HD21  ASN  56          HD21      ASN  56   3.433   5.323   2.561
  440   HD22  ASN  56          HD22      ASN  56   5.077   5.891   2.729
  441    H    VAL  57           H        VAL  57   4.108   3.783   6.451
  442    HA   VAL  57           HA       VAL  57   2.073   5.917   6.377
  443    HB   VAL  57           HB       VAL  57   2.321   6.261   8.804
  444   HG11  VAL  57          HG11      VAL  57   1.159   4.218   9.521
  445   HG12  VAL  57          HG12      VAL  57   1.612   3.450   7.999
  446   HG13  VAL  57          HG13      VAL  57   0.541   4.851   7.995
  447   HG21  VAL  57          HG21      VAL  57   4.580   5.448   9.164
  448   HG22  VAL  57          HG22      VAL  57   4.094   3.816   8.708
  449   HG23  VAL  57          HG23      VAL  57   3.457   4.545  10.178
  450    H    VAL  58           H        VAL  58   5.352   5.361   6.184
  451    HA   VAL  58           HA       VAL  58   5.896   8.254   6.601
  452    HB   VAL  58           HB       VAL  58   8.041   6.090   6.563
  453   HG11  VAL  58          HG11      VAL  58   7.944   8.882   7.700
  454   HG12  VAL  58          HG12      VAL  58   9.038   8.276   6.434
  455   HG13  VAL  58          HG13      VAL  58   9.198   7.727   8.084
  456   HG21  VAL  58          HG21      VAL  58   6.492   7.034   8.962
  457   HG22  VAL  58          HG22      VAL  58   7.983   6.092   9.032
  458   HG23  VAL  58          HG23      VAL  58   6.536   5.405   8.292
  459    H    ASP  59           H        ASP  59   8.146   8.518   5.130
  460    HA   ASP  59           HA       ASP  59   6.977   8.812   2.635
  461    HB2  ASP  59           HB2      ASP  59   9.041   9.871   1.933
  462    HB3  ASP  59           HB3      ASP  59   8.634  10.422   3.543
  463    H    GLY  60           H        GLY  60   6.921   7.582   1.105
  464    HA2  GLY  60           HA2      GLY  60   8.767   5.380   0.721
  465    HA3  GLY  60           HA3      GLY  60   7.063   4.991   0.949
  466    H    GLU  61           H        GLU  61   7.583   7.987  -0.617
  467    HA   GLU  61           HA       GLU  61   6.503   6.955  -3.042
  468    HB2  GLU  61           HB2      GLU  61   6.903   9.218  -3.989
  469    HB3  GLU  61           HB3      GLU  61   6.023   9.264  -2.476
  470    HG2  GLU  61           HG2      GLU  61   8.079   9.903  -1.311
  471    HG3  GLU  61           HG3      GLU  61   8.950   9.863  -2.844
  472    H    GLU  62           H        GLU  62   9.598   7.379  -1.749
  473    HA   GLU  62           HA       GLU  62  10.980   6.933  -4.192
  474    HB2  GLU  62           HB2      GLU  62  11.933   6.931  -1.337
  475    HB3  GLU  62           HB3      GLU  62  12.977   6.688  -2.723
  476    HG2  GLU  62           HG2      GLU  62  12.442   8.904  -3.541
  477    HG3  GLU  62           HG3      GLU  62  11.348   9.156  -2.181
  478    H    LEU  63           H        LEU  63   9.048   4.867  -2.349
  479    HA   LEU  63           HA       LEU  63  10.799   2.608  -2.475
  480    HB2  LEU  63           HB2      LEU  63   7.754   2.540  -2.574
  481    HB3  LEU  63           HB3      LEU  63   8.827   1.186  -2.263
  482    HG   LEU  63           HG       LEU  63   8.431   3.564  -0.475
  483   HD11  LEU  63          HD11      LEU  63   7.683   0.677  -0.123
  484   HD12  LEU  63          HD12      LEU  63   6.595   2.043  -0.394
  485   HD13  LEU  63          HD13      LEU  63   7.521   1.948   1.094
  486   HD21  LEU  63          HD21      LEU  63   9.920   2.414   1.080
  487   HD22  LEU  63          HD22      LEU  63  10.743   2.851  -0.414
  488   HD23  LEU  63          HD23      LEU  63  10.237   1.180  -0.143
  489    H    ASP  64           H        ASP  64  11.721   2.015  -4.178
  490    HA   ASP  64           HA       ASP  64  10.691   2.804  -6.739
  491    HB2  ASP  64           HB2      ASP  64  13.134   2.828  -5.680
  492    HB3  ASP  64           HB3      ASP  64  13.201   1.263  -6.472
  493    H    GLN  65           H        GLN  65   9.251   1.572  -7.533
  494    HA   GLN  65           HA       GLN  65   8.484  -0.911  -6.627
  495    HB2  GLN  65           HB2      GLN  65   6.936   0.607  -7.618
  496    HB3  GLN  65           HB3      GLN  65   7.772   0.521  -9.166
  497    HG2  GLN  65           HG2      GLN  65   5.759  -0.749  -9.266
  498    HG3  GLN  65           HG3      GLN  65   7.134  -1.837  -9.314
  499   HE21  GLN  65          HE21      GLN  65   7.570  -3.146  -7.576
  500   HE22  GLN  65          HE22      GLN  65   6.420  -3.503  -6.343
  501    H    GLU  66           H        GLU  66  10.421  -0.294  -9.599
  502    HA   GLU  66           HA       GLU  66  10.022  -3.044 -10.332
  503    HB2  GLU  66           HB2      GLU  66  11.935  -1.117 -11.629
  504    HB3  GLU  66           HB3      GLU  66  11.273  -2.586 -12.325
  505    HG2  GLU  66           HG2      GLU  66   9.962  -1.017 -13.359
  506    HG3  GLU  66           HG3      GLU  66   8.981  -1.336 -11.929
  507    H    LYS  67           H        LYS  67  12.087  -1.571  -8.229
  508    HA   LYS  67           HA       LYS  67  14.306  -3.403  -8.712
  509    HB2  LYS  67           HB2      LYS  67  14.052  -1.088  -6.757
  510    HB3  LYS  67           HB3      LYS  67  15.494  -2.069  -6.961
  511    HG2  LYS  67           HG2      LYS  67  15.844  -0.024  -8.155
  512    HG3  LYS  67           HG3      LYS  67  15.594  -1.288  -9.352
  513    HD2  LYS  67           HD2      LYS  67  13.204  -0.572  -9.506
  514    HD3  LYS  67           HD3      LYS  67  13.580   0.759  -8.425
  515    HE2  LYS  67           HE2      LYS  67  15.222   1.573 -10.065
  516    HE3  LYS  67           HE3      LYS  67  14.732   0.267 -11.147
  517    HZ1  LYS  67           HZ1      LYS  67  12.423   1.224 -11.109
  518    HZ2  LYS  67           HZ2      LYS  67  13.560   2.346 -11.686
  519    HZ3  LYS  67           HZ3      LYS  67  12.964   2.409 -10.108
  520    H    PHE  68           H        PHE  68  11.565  -3.639  -7.460
  521    HA   PHE  68           HA       PHE  68  12.014  -4.918  -4.968
  522    HB2  PHE  68           HB2      PHE  68   9.652  -4.254  -6.638
  523    HB3  PHE  68           HB3      PHE  68   9.499  -5.624  -5.527
  524    HD1  PHE  68           HD1      PHE  68  10.951  -2.135  -5.319
  525    HD2  PHE  68           HD2      PHE  68   8.451  -5.099  -3.617
  526    HE1  PHE  68           HE1      PHE  68  10.431  -0.645  -3.403
  527    HE2  PHE  68           HE2      PHE  68   7.955  -3.669  -1.752
  528    HZ   PHE  68           HZ       PHE  68   8.875  -1.514  -1.578
  529    H    VAL  69           H        VAL  69  11.522  -7.087  -4.539
  530    HA   VAL  69           HA       VAL  69  12.307  -9.005  -6.646
  531    HB   VAL  69           HB       VAL  69  12.751  -9.081  -3.620
  532   HG11  VAL  69          HG11      VAL  69  12.638 -11.273  -4.591
  533   HG12  VAL  69          HG12      VAL  69  14.286 -10.940  -4.055
  534   HG13  VAL  69          HG13      VAL  69  13.878 -10.856  -5.774
  535   HG21  VAL  69          HG21      VAL  69  14.776  -8.406  -5.747
  536   HG22  VAL  69          HG22      VAL  69  15.135  -8.658  -4.037
  537   HG23  VAL  69          HG23      VAL  69  14.115  -7.307  -4.535
  538    H    VAL  70           H        VAL  70  11.181 -11.240  -5.840
  539    HA   VAL  70           HA       VAL  70   8.505 -10.261  -5.257
  540    HB   VAL  70           HB       VAL  70   9.305 -12.905  -6.371
  541   HG11  VAL  70          HG11      VAL  70   7.163 -13.010  -5.195
  542   HG12  VAL  70          HG12      VAL  70   6.958 -13.220  -6.932
  543   HG13  VAL  70          HG13      VAL  70   6.547 -11.678  -6.180
  544   HG21  VAL  70          HG21      VAL  70   8.477 -12.057  -8.509
  545   HG22  VAL  70          HG22      VAL  70   9.811 -11.082  -7.898
  546   HG23  VAL  70          HG23      VAL  70   8.152 -10.494  -7.757
  547    H    ASP  71           H        ASP  71   7.810 -10.366  -3.065
  548    HA   ASP  71           HA       ASP  71   8.118 -12.986  -1.838
  549    HB2  ASP  71           HB2      ASP  71   6.946 -10.364  -0.835
  550    HB3  ASP  71           HB3      ASP  71   6.714 -11.876   0.010
  551    H    GLU  72           H        GLU  72   6.748 -14.373  -2.659
  552    HA   GLU  72           HA       GLU  72   4.553 -13.680  -4.300
  553    HB2  GLU  72           HB2      GLU  72   4.578 -16.381  -3.017
  554    HB3  GLU  72           HB3      GLU  72   4.171 -15.933  -4.655
  555    HG2  GLU  72           HG2      GLU  72   6.142 -17.115  -4.911
  556    HG3  GLU  72           HG3      GLU  72   6.705 -15.443  -4.896
  557    H    ASN  73           H        ASN  73   4.755 -13.890  -0.930
  558    HA   ASN  73           HA       ASN  73   1.959 -14.454  -0.517
  559    HB2  ASN  73           HB2      ASN  73   2.626 -14.305   1.903
  560    HB3  ASN  73           HB3      ASN  73   3.415 -15.583   0.990
  561   HD21  ASN  73          HD21      ASN  73   4.233 -14.211   3.459
  562   HD22  ASN  73          HD22      ASN  73   5.812 -13.558   3.080
  563    H    PHE  74           H        PHE  74   3.460 -11.749  -1.496
  564    HA   PHE  74           HA       PHE  74   1.670 -10.094   0.109
  565    HB2  PHE  74           HB2      PHE  74   4.600  -9.692  -0.280
  566    HB3  PHE  74           HB3      PHE  74   3.556  -8.290  -0.115
  567    HD1  PHE  74           HD1      PHE  74   4.730 -11.355   1.606
  568    HD2  PHE  74           HD2      PHE  74   2.723  -7.633   1.978
  569    HE1  PHE  74           HE1      PHE  74   4.796 -11.559   4.059
  570    HE2  PHE  74           HE2      PHE  74   2.782  -7.831   4.417
  571    HZ   PHE  74           HZ       PHE  74   3.806  -9.789   5.467
  572    H    THR  75           H        THR  75   1.049  -8.090  -0.776
  573    HA   THR  75           HA       THR  75   1.021  -7.896  -3.751
  574    HB   THR  75           HB       THR  75  -1.159  -6.817  -3.361
  575    HG1  THR  75           HG1      THR  75  -2.028  -7.200  -1.143
  576   HG21  THR  75          HG21      THR  75  -0.938  -9.527  -2.059
  577   HG22  THR  75          HG22      THR  75  -1.134  -9.223  -3.781
  578   HG23  THR  75          HG23      THR  75  -2.429  -8.808  -2.654
  579    H    GLU  76           H        GLU  76   1.726  -5.851  -4.576
  580    HA   GLU  76           HA       GLU  76   1.874  -3.867  -2.538
  581    HB2  GLU  76           HB2      GLU  76   3.914  -2.956  -3.770
  582    HB3  GLU  76           HB3      GLU  76   4.080  -4.297  -2.654
  583    HG2  GLU  76           HG2      GLU  76   3.879  -5.776  -4.698
  584    HG3  GLU  76           HG3      GLU  76   4.193  -4.294  -5.620
  585    H    ASN  77           H        ASN  77   1.165  -1.964  -2.835
  586    HA   ASN  77           HA       ASN  77   0.218  -1.297  -5.494
  587    HB2  ASN  77           HB2      ASN  77  -2.062  -0.942  -4.593
  588    HB3  ASN  77           HB3      ASN  77  -1.453  -2.539  -4.177
  589   HD21  ASN  77          HD21      ASN  77  -1.382  -3.207  -2.159
  590   HD22  ASN  77          HD22      ASN  77  -1.678  -2.203  -0.788
  591    H    TYR  78           H        TYR  78   0.306   0.945  -5.815
  592    HA   TYR  78           HA       TYR  78   0.799   2.524  -3.472
  593    HB2  TYR  78           HB2      TYR  78   2.807   3.629  -4.386
  594    HB3  TYR  78           HB3      TYR  78   2.977   1.897  -4.213
  595    HD1  TYR  78           HD1      TYR  78   1.991   0.796  -6.732
  596    HD2  TYR  78           HD2      TYR  78   4.219   4.346  -6.000
  597    HE1  TYR  78           HE1      TYR  78   2.971   0.643  -8.984
  598    HE2  TYR  78           HE2      TYR  78   5.183   4.214  -8.256
  599    HH   TYR  78           HH       TYR  78   5.644   2.463  -9.941
  600    H    LEU  79           H        LEU  79   0.184   4.576  -3.446
  601    HA   LEU  79           HA       LEU  79  -1.734   5.469  -5.423
  602    HB2  LEU  79           HB2      LEU  79  -2.339   5.794  -3.135
  603    HB3  LEU  79           HB3      LEU  79  -0.761   6.423  -2.735
  604    HG   LEU  79           HG       LEU  79  -1.327   8.467  -4.090
  605   HD11  LEU  79          HD11      LEU  79  -3.063   7.578  -5.471
  606   HD12  LEU  79          HD12      LEU  79  -3.656   8.948  -4.525
  607   HD13  LEU  79          HD13      LEU  79  -4.076   7.299  -4.055
  608   HD21  LEU  79          HD21      LEU  79  -2.772   9.450  -2.377
  609   HD22  LEU  79          HD22      LEU  79  -1.457   8.501  -1.682
  610   HD23  LEU  79          HD23      LEU  79  -3.089   7.837  -1.741
  611    H    THR  80           H        THR  80  -0.970   6.596  -7.177
  612    HA   THR  80           HA       THR  80   1.292   8.359  -6.611
  613    HB   THR  80           HB       THR  80   0.869   6.868  -9.207
  614    HG1  THR  80           HG1      THR  80   1.873   6.138  -6.839
  615   HG21  THR  80          HG21      THR  80   3.197   8.494  -8.148
  616   HG22  THR  80          HG22      THR  80   2.095   8.998  -9.428
  617   HG23  THR  80          HG23      THR  80   3.167   7.621  -9.679
  618    H    ASP  81           H        ASP  81   0.348  10.220  -6.466
  619    HA   ASP  81           HA       ASP  81  -0.760  12.133  -6.895
  620    HB2  ASP  81           HB2      ASP  81   1.497  12.198  -8.001
  621    HB3  ASP  81           HB3      ASP  81   0.688  11.889  -9.530
  622    H    CYS  82           H        CYS  82  -2.578  10.005  -7.633
  623    HA   CYS  82           HA       CYS  82  -3.906  11.087  -9.944
  624    HB2  CYS  82           HB2      CYS  82  -5.699   9.298  -9.207
  625    HB3  CYS  82           HB3      CYS  82  -4.201   8.793  -9.970
  626    H    GLU  83           H        GLU  83  -4.305  11.095  -6.473
  627    HA   GLU  83           HA       GLU  83  -5.645  13.542  -6.457
  628    HB2  GLU  83           HB2      GLU  83  -7.821  12.805  -5.542
  629    HB3  GLU  83           HB3      GLU  83  -7.603  12.161  -7.161
  630    HG2  GLU  83           HG2      GLU  83  -6.926  10.011  -6.180
  631    HG3  GLU  83           HG3      GLU  83  -7.224  10.676  -4.577
  632    H    GLY  84           H        GLY  84  -6.546  13.683  -4.032
  633    HA2  GLY  84           HA2      GLY  84  -4.372  12.717  -2.378
  634    HA3  GLY  84           HA3      GLY  84  -5.653  13.834  -1.890
  635    H    LYS  85           H        LYS  85  -7.481  13.090  -1.042
  636    HA   LYS  85           HA       LYS  85  -8.070  10.250  -1.155
  637    HB2  LYS  85           HB2      LYS  85  -8.136  11.840   1.448
  638    HB3  LYS  85           HB3      LYS  85  -8.805  10.238   1.246
  639    HG2  LYS  85           HG2      LYS  85  -6.795   9.912   2.370
  640    HG3  LYS  85           HG3      LYS  85  -6.417   9.492   0.705
  641    HD2  LYS  85           HD2      LYS  85  -5.508  11.809   0.425
  642    HD3  LYS  85           HD3      LYS  85  -5.756  12.062   2.153
  643    HE2  LYS  85           HE2      LYS  85  -3.462  11.471   1.780
  644    HE3  LYS  85           HE3      LYS  85  -4.268  10.125   2.583
  645    HZ1  LYS  85           HZ1      LYS  85  -2.832   9.367   0.736
  646    HZ2  LYS  85           HZ2      LYS  85  -3.740  10.300  -0.331
  647    HZ3  LYS  85           HZ3      LYS  85  -4.450   8.993   0.460
  648    H    ASP  86           H        ASP  86  -9.519  11.062  -2.751
  649    HA   ASP  86           HA       ASP  86 -11.715  12.670  -1.661
  650    HB2  ASP  86           HB2      ASP  86 -10.800  12.215  -4.507
  651    HB3  ASP  86           HB3      ASP  86 -12.314  13.005  -4.095
  652    H    ALA  87           H        ALA  87 -11.219  10.177  -4.060
  653    HA   ALA  87           HA       ALA  87 -13.580   8.777  -3.005
  654    HB1  ALA  87           HB1      ALA  87 -14.370   8.333  -5.270
  655    HB2  ALA  87           HB2      ALA  87 -13.039   9.284  -5.928
  656    HB3  ALA  87           HB3      ALA  87 -14.288  10.068  -4.962
  657    H    GLY  88           H        GLY  88 -10.529   8.722  -4.724
  658    HA2  GLY  88           HA2      GLY  88  -9.038   7.066  -5.109
  659    HA3  GLY  88           HA3      GLY  88  -9.864   6.133  -3.866
  660    H    ASN  89           H        ASN  89 -10.249   4.202  -4.702
  661    HA   ASN  89           HA       ASN  89 -12.097   3.946  -6.850
  662    HB2  ASN  89           HB2      ASN  89 -10.726   2.604  -8.369
  663    HB3  ASN  89           HB3      ASN  89  -9.978   4.179  -8.169
  664   HD21  ASN  89          HD21      ASN  89  -9.663   0.747  -7.629
  665   HD22  ASN  89          HD22      ASN  89  -8.028   0.786  -7.097
  666    H    ALA  90           H        ALA  90 -12.376   1.494  -7.271
  667    HA   ALA  90           HA       ALA  90 -12.226   0.157  -4.685
  668    HB1  ALA  90           HB1      ALA  90 -13.799  -0.551  -7.165
  669    HB2  ALA  90           HB2      ALA  90 -14.443   0.279  -5.750
  670    HB3  ALA  90           HB3      ALA  90 -13.881  -1.387  -5.615
  671    H    ALA  91           H        ALA  91 -11.100  -1.646  -4.423
  672    HA   ALA  91           HA       ALA  91  -9.607  -3.243  -4.701
  673    HB1  ALA  91           HB1      ALA  91 -11.163  -4.161  -6.376
  674    HB2  ALA  91           HB2      ALA  91  -9.480  -4.509  -6.779
  675    HB3  ALA  91           HB3      ALA  91 -10.342  -3.230  -7.629
  676    H    GLY  92           H        GLY  92  -7.981  -1.933  -4.082
  677    HA2  GLY  92           HA2      GLY  92  -6.253  -0.916  -6.251
  678    HA3  GLY  92           HA3      GLY  92  -6.252  -0.306  -4.603
  679    H    THR  93           H        THR  93  -6.350  -2.996  -3.453
  680    HA   THR  93           HA       THR  93  -3.535  -3.630  -3.903
  681    HB   THR  93           HB       THR  93  -3.886  -2.747  -1.683
  682    HG1  THR  93           HG1      THR  93  -3.638  -5.374  -0.936
  683   HG21  THR  93          HG21      THR  93  -5.916  -4.959  -1.343
  684   HG22  THR  93          HG22      THR  93  -6.244  -3.227  -1.367
  685   HG23  THR  93          HG23      THR  93  -5.318  -3.931  -0.039
  686    H    GLY  94           H        GLY  94  -2.882  -5.735  -4.126
  687    HA2  GLY  94           HA2      GLY  94  -3.021  -7.984  -4.494
  688    HA3  GLY  94           HA3      GLY  94  -4.572  -7.967  -3.672
  689    H    ASP  95           H        ASP  95  -6.205  -6.715  -5.137
  690    HA   ASP  95           HA       ASP  95  -6.690  -8.524  -7.294
  691    HB2  ASP  95           HB2      ASP  95  -8.275  -7.208  -5.608
  692    HB3  ASP  95           HB3      ASP  95  -8.297  -6.074  -6.953
  693    H    GLU  96           H        GLU  96  -5.457  -8.220  -9.004
  694    HA   GLU  96           HA       GLU  96  -4.506  -5.795 -10.080
  695    HB2  GLU  96           HB2      GLU  96  -5.093  -8.434 -11.431
  696    HB3  GLU  96           HB3      GLU  96  -4.054  -7.166 -12.072
  697    HG2  GLU  96           HG2      GLU  96  -2.413  -7.537 -10.461
  698    HG3  GLU  96           HG3      GLU  96  -3.510  -8.450  -9.428
  699    H    SER  97           H        SER  97  -5.924  -4.253 -10.633
  700    HA   SER  97           HA       SER  97  -8.281  -4.992 -12.192
  701    HB2  SER  97           HB2      SER  97  -8.254  -3.021  -9.907
  702    HB3  SER  97           HB3      SER  97  -9.651  -3.552 -10.845
  703    HG   SER  97           HG       SER  97  -8.031  -5.077  -9.119
  704    H    ASP  98           H        ASP  98  -8.779  -3.553 -13.731
  705    HA   ASP  98           HA       ASP  98  -6.926  -1.367 -14.283
  706    HB2  ASP  98           HB2      ASP  98  -9.323  -2.343 -15.883
  707    HB3  ASP  98           HB3      ASP  98  -8.101  -1.207 -16.439
  708    H    GLU  99           H        GLU  99  -7.952   0.817 -14.786
  709    HA   GLU  99           HA       GLU  99 -10.084   1.073 -12.840
  710    HB2  GLU  99           HB2      GLU  99  -9.382   3.495 -12.633
  711    HB3  GLU  99           HB3      GLU  99  -8.270   2.297 -11.997
  712    HG2  GLU  99           HG2      GLU  99  -6.873   2.518 -13.941
  713    HG3  GLU  99           HG3      GLU  99  -8.018   3.633 -14.673
  714    H    VAL 100           H        VAL 100  -9.136   2.388 -16.015
  715    HA   VAL 100           HA       VAL 100 -11.987   2.859 -16.346
  716    HB   VAL 100           HB       VAL 100 -11.522   5.031 -17.623
  717   HG11  VAL 100          HG11      VAL 100 -12.563   5.008 -15.415
  718   HG12  VAL 100          HG12      VAL 100 -11.441   6.367 -15.557
  719   HG13  VAL 100          HG13      VAL 100 -10.973   4.924 -14.661
  720   HG21  VAL 100          HG21      VAL 100  -9.502   6.248 -17.034
  721   HG22  VAL 100          HG22      VAL 100  -9.082   4.733 -17.833
  722   HG23  VAL 100          HG23      VAL 100  -8.933   4.879 -16.078
  723    H    ASP 101           H        ASP 101 -11.804   0.847 -17.421
  724    HA   ASP 101           HA       ASP 101 -12.157  -0.393 -19.227
  725    HB2  ASP 101           HB2      ASP 101 -13.591   1.401 -20.025
  726    HB3  ASP 101           HB3      ASP 101 -12.211   2.210 -20.757
  727    H    GLU 102           H        GLU 102 -10.084   2.048 -20.704
  728    HA   GLU 102           HA       GLU 102  -8.603   0.128 -22.213
  729    HB2  GLU 102           HB2      GLU 102  -8.922   2.536 -22.850
  730    HB3  GLU 102           HB3      GLU 102  -7.888   2.991 -21.512
  731    HG2  GLU 102           HG2      GLU 102  -6.590   3.089 -23.495
  732    HG3  GLU 102           HG3      GLU 102  -6.061   1.675 -22.591
  733    H    ASP 103           H        ASP 103  -7.730   2.291 -19.522
  734    HA   ASP 103           HA       ASP 103  -6.346   0.255 -18.109
  735    HB2  ASP 103           HB2      ASP 103  -4.656   0.977 -19.891
  736    HB3  ASP 103           HB3      ASP 103  -4.687   2.576 -19.158
  Start of MODEL    5
    1    H1   GLU   1           H1       GLU   1 -15.988   9.104   3.082
    2    H2   GLU   1           H2       GLU   1 -15.602  10.720   3.081
    3    H3   GLU   1           H3       GLU   1 -14.862   9.700   1.966
    4    HA   GLU   1           HA       GLU   1 -17.705  10.397   2.133
    5    HB2  GLU   1           HB2      GLU   1 -17.418  11.703   0.089
    6    HB3  GLU   1           HB3      GLU   1 -16.284  12.264   1.297
    7    HG2  GLU   1           HG2      GLU   1 -15.648  10.528  -1.093
    8    HG3  GLU   1           HG3      GLU   1 -15.273  12.237  -0.915
    9    H    GLU   2           H        GLU   2 -15.232   8.565   0.302
   10    HA   GLU   2           HA       GLU   2 -17.420   6.811  -0.558
   11    HB2  GLU   2           HB2      GLU   2 -15.133   7.834  -2.224
   12    HB3  GLU   2           HB3      GLU   2 -16.110   6.447  -2.682
   13    HG2  GLU   2           HG2      GLU   2 -18.083   7.833  -2.744
   14    HG3  GLU   2           HG3      GLU   2 -17.150   9.225  -2.200
   15    H    ARG   3           H        ARG   3 -14.485   7.129   1.028
   16    HA   ARG   3           HA       ARG   3 -13.115   5.762   2.024
   17    HB2  ARG   3           HB2      ARG   3 -15.218   3.803   1.315
   18    HB3  ARG   3           HB3      ARG   3 -13.719   3.183   2.018
   19    HG2  ARG   3           HG2      ARG   3 -15.283   3.417   3.810
   20    HG3  ARG   3           HG3      ARG   3 -14.179   4.780   3.955
   21    HD2  ARG   3           HD2      ARG   3 -15.864   6.183   2.777
   22    HD3  ARG   3           HD3      ARG   3 -16.948   4.795   2.779
   23    HE   ARG   3           HE       ARG   3 -15.995   5.460   5.383
   24   HH11  ARG   3          HH11      ARG   3 -18.481   6.211   2.976
   25   HH12  ARG   3          HH12      ARG   3 -19.559   6.928   4.077
   26   HH21  ARG   3          HH21      ARG   3 -17.510   6.440   6.932
   27   HH22  ARG   3          HH22      ARG   3 -19.003   7.040   6.367
   28    H    GLU   4           H        GLU   4 -11.425   4.278   1.791
   29    HA   GLU   4           HA       GLU   4  -9.478   3.807   0.797
   30    HB2  GLU   4           HB2      GLU   4 -11.063   2.961  -1.667
   31    HB3  GLU   4           HB3      GLU   4  -9.399   2.690  -1.352
   32    HG2  GLU   4           HG2      GLU   4 -10.711   0.644  -0.989
   33    HG3  GLU   4           HG3      GLU   4  -9.828   1.126   0.393
   34    H    ASP   5           H        ASP   5  -8.153   4.140  -1.166
   35    HA   ASP   5           HA       ASP   5  -8.896   6.542  -2.760
   36    HB2  ASP   5           HB2      ASP   5  -7.164   6.957  -0.715
   37    HB3  ASP   5           HB3      ASP   5  -6.039   6.417  -1.956
   38    H    CYS   6           H        CYS   6  -6.780   6.835  -4.365
   39    HA   CYS   6           HA       CYS   6  -7.026   4.329  -5.805
   40    HB2  CYS   6           HB2      CYS   6  -6.097   5.554  -7.719
   41    HB3  CYS   6           HB3      CYS   6  -7.753   6.033  -7.239
   42    H    TRP   7           H        TRP   7  -5.541   2.949  -5.476
   43    HA   TRP   7           HA       TRP   7  -2.790   3.873  -5.690
   44    HB2  TRP   7           HB2      TRP   7  -3.391   1.128  -4.547
   45    HB3  TRP   7           HB3      TRP   7  -2.144   2.285  -4.137
   46    HD1  TRP   7           HD1      TRP   7  -4.184   4.678  -3.440
   47    HE1  TRP   7           HE1      TRP   7  -5.517   4.570  -1.281
   48    HE3  TRP   7           HE3      TRP   7  -3.743  -0.271  -2.616
   49    HZ2  TRP   7           HZ2      TRP   7  -6.284   2.545   0.573
   50    HZ3  TRP   7           HZ3      TRP   7  -4.766  -1.240  -0.619
   51    HH2  TRP   7           HH2      TRP   7  -5.982   0.144   0.949
   52    H    THR   8           H        THR   8  -1.575   2.906  -7.236
   53    HA   THR   8           HA       THR   8  -3.160   1.271  -9.004
   54    HB   THR   8           HB       THR   8  -2.428   3.335 -10.088
   55    HG1  THR   8           HG1      THR   8  -2.497   1.395 -11.347
   56   HG21  THR   8          HG21      THR   8  -0.400   3.796  -8.807
   57   HG22  THR   8          HG22      THR   8  -0.048   3.803 -10.535
   58   HG23  THR   8          HG23      THR   8   0.392   2.409  -9.557
   59    H    PHE   9           H        PHE   9  -2.513  -0.683  -9.628
   60    HA   PHE   9           HA       PHE   9  -0.659  -1.859  -7.765
   61    HB2  PHE   9           HB2      PHE   9  -3.019  -2.694  -8.233
   62    HB3  PHE   9           HB3      PHE   9  -2.328  -3.417  -9.712
   63    HD1  PHE   9           HD1      PHE   9  -2.088  -3.132  -6.204
   64    HD2  PHE   9           HD2      PHE   9  -1.062  -5.435  -9.535
   65    HE1  PHE   9           HE1      PHE   9  -1.156  -4.818  -4.686
   66    HE2  PHE   9           HE2      PHE   9  -0.129  -7.192  -8.067
   67    HZ   PHE   9           HZ       PHE   9  -0.165  -6.859  -5.608
   68    H    TYR  10           H        TYR  10   1.202  -2.774  -8.251
   69    HA   TYR  10           HA       TYR  10   1.973  -2.744 -11.076
   70    HB2  TYR  10           HB2      TYR  10   3.488  -1.581  -9.470
   71    HB3  TYR  10           HB3      TYR  10   3.780  -3.118  -8.666
   72    HD1  TYR  10           HD1      TYR  10   4.231  -1.314 -11.894
   73    HD2  TYR  10           HD2      TYR  10   5.452  -4.594  -9.476
   74    HE1  TYR  10           HE1      TYR  10   6.059  -1.761 -13.440
   75    HE2  TYR  10           HE2      TYR  10   7.300  -5.049 -11.031
   76    HH   TYR  10           HH       TYR  10   8.079  -2.853 -13.627
   77    H    ALA  11           H        ALA  11   2.544  -4.987  -8.283
   78    HA   ALA  11           HA       ALA  11   1.634  -7.318  -9.484
   79    HB1  ALA  11           HB1      ALA  11   3.861  -8.428  -9.824
   80    HB2  ALA  11           HB2      ALA  11   4.637  -6.853  -9.625
   81    HB3  ALA  11           HB3      ALA  11   3.560  -7.140 -10.985
   82    H    ASN  12           H        ASN  12   2.436  -9.240  -7.887
   83    HA   ASN  12           HA       ASN  12   2.508  -7.931  -5.253
   84    HB2  ASN  12           HB2      ASN  12   2.594 -10.884  -6.058
   85    HB3  ASN  12           HB3      ASN  12   2.596 -10.309  -4.383
   86   HD21  ASN  12          HD21      ASN  12   0.615  -8.884  -6.868
   87   HD22  ASN  12          HD22      ASN  12  -0.909  -9.485  -6.274
   88    H    ARG  13           H        ARG  13   4.448  -7.270  -4.537
   89    HA   ARG  13           HA       ARG  13   6.795  -8.841  -4.860
   90    HB2  ARG  13           HB2      ARG  13   6.528  -6.173  -6.202
   91    HB3  ARG  13           HB3      ARG  13   8.082  -6.871  -5.770
   92    HG2  ARG  13           HG2      ARG  13   7.985  -8.473  -7.373
   93    HG3  ARG  13           HG3      ARG  13   6.227  -8.507  -7.385
   94    HD2  ARG  13           HD2      ARG  13   7.143  -7.584  -9.428
   95    HD3  ARG  13           HD3      ARG  13   6.171  -6.402  -8.546
   96    HE   ARG  13           HE       ARG  13   8.155  -5.329  -7.949
   97   HH11  ARG  13          HH11      ARG  13   8.591  -7.888 -10.391
   98   HH12  ARG  13          HH12      ARG  13   9.837  -7.116 -11.226
   99   HH21  ARG  13          HH21      ARG  13   9.879  -4.256  -9.145
  100   HH22  ARG  13          HH22      ARG  13  10.635  -5.018 -10.495
  101    H    LYS  14           H        LYS  14   8.672  -7.837  -3.770
  102    HA   LYS  14           HA       LYS  14   8.062  -5.657  -1.974
  103    HB2  LYS  14           HB2      LYS  14   7.066  -7.675  -1.066
  104    HB3  LYS  14           HB3      LYS  14   8.700  -8.320  -0.989
  105    HG2  LYS  14           HG2      LYS  14   9.373  -6.803   0.560
  106    HG3  LYS  14           HG3      LYS  14   7.936  -5.783   0.379
  107    HD2  LYS  14           HD2      LYS  14   7.904  -8.642   0.936
  108    HD3  LYS  14           HD3      LYS  14   7.888  -7.508   2.370
  109    HE2  LYS  14           HE2      LYS  14   5.578  -7.553   2.051
  110    HE3  LYS  14           HE3      LYS  14   5.912  -6.867   0.441
  111    HZ1  LYS  14           HZ1      LYS  14   4.686  -9.163   0.663
  112    HZ2  LYS  14           HZ2      LYS  14   6.203  -9.753   0.872
  113    HZ3  LYS  14           HZ3      LYS  14   5.806  -8.985  -0.576
  114    H    TYR  15           H        TYR  15   9.880  -4.576  -1.545
  115    HA   TYR  15           HA       TYR  15  12.419  -5.851  -2.004
  116    HB2  TYR  15           HB2      TYR  15  11.951  -3.456  -2.634
  117    HB3  TYR  15           HB3      TYR  15  11.776  -3.095  -0.934
  118    HD1  TYR  15           HD1      TYR  15  14.099  -3.946  -3.630
  119    HD2  TYR  15           HD2      TYR  15  13.797  -2.843   0.462
  120    HE1  TYR  15           HE1      TYR  15  16.498  -3.445  -3.601
  121    HE2  TYR  15           HE2      TYR  15  16.207  -2.339   0.503
  122    HH   TYR  15           HH       TYR  15  18.026  -2.074  -2.338
  123    H    THR  16           H        THR  16  12.418  -7.355  -0.596
  124    HA   THR  16           HA       THR  16  11.284  -7.900   1.639
  125    HB   THR  16           HB       THR  16  13.246  -9.487   2.092
  126    HG1  THR  16           HG1      THR  16  14.403  -7.880   0.417
  127   HG21  THR  16          HG21      THR  16  11.766  -9.474  -0.551
  128   HG22  THR  16          HG22      THR  16  11.144 -10.110   0.973
  129   HG23  THR  16          HG23      THR  16  12.522 -10.884   0.189
  130    H    ASP  17           H        ASP  17  11.227  -6.003   2.729
  131    HA   ASP  17           HA       ASP  17  12.073  -6.594   5.314
  132    HB2  ASP  17           HB2      ASP  17  13.542  -4.829   6.017
  133    HB3  ASP  17           HB3      ASP  17  14.242  -5.457   4.535
  134    H    PHE  18           H        PHE  18  10.982  -5.402   6.879
  135    HA   PHE  18           HA       PHE  18   9.070  -3.407   5.863
  136    HB2  PHE  18           HB2      PHE  18   8.814  -5.326   8.193
  137    HB3  PHE  18           HB3      PHE  18   7.680  -4.021   7.872
  138    HD1  PHE  18           HD1      PHE  18   6.901  -4.021   5.306
  139    HD2  PHE  18           HD2      PHE  18   8.142  -7.413   7.529
  140    HE1  PHE  18           HE1      PHE  18   5.606  -5.461   3.800
  141    HE2  PHE  18           HE2      PHE  18   6.854  -8.871   6.025
  142    HZ   PHE  18           HZ       PHE  18   5.574  -7.867   4.145
  143    H    ASP  19           H        ASP  19  11.844  -3.218   6.827
  144    HA   ASP  19           HA       ASP  19  11.864  -2.009   9.412
  145    HB2  ASP  19           HB2      ASP  19  13.828  -3.153   8.712
  146    HB3  ASP  19           HB3      ASP  19  13.895  -2.277   7.196
  147    H    LYS  20           H        LYS  20  11.256  -0.964   6.254
  148    HA   LYS  20           HA       LYS  20  11.893   1.776   6.529
  149    HB2  LYS  20           HB2      LYS  20  10.394   2.181   4.553
  150    HB3  LYS  20           HB3      LYS  20  11.701   1.036   4.316
  151    HG2  LYS  20           HG2      LYS  20   9.070  -0.086   5.086
  152    HG3  LYS  20           HG3      LYS  20   9.191   0.615   3.475
  153    HD2  LYS  20           HD2      LYS  20  11.085  -1.481   4.545
  154    HD3  LYS  20           HD3      LYS  20   9.657  -1.837   3.571
  155    HE2  LYS  20           HE2      LYS  20  10.537  -0.485   1.754
  156    HE3  LYS  20           HE3      LYS  20  11.938  -0.053   2.716
  157    HZ1  LYS  20           HZ1      LYS  20  12.478  -1.751   1.162
  158    HZ2  LYS  20           HZ2      LYS  20  11.318  -2.828   1.767
  159    HZ3  LYS  20           HZ3      LYS  20  12.627  -2.368   2.702
  160    H    SER  21           H        SER  21   9.611   0.171   8.170
  161    HA   SER  21           HA       SER  21   8.211   0.794   9.726
  162    HB2  SER  21           HB2      SER  21   8.637   3.652   8.894
  163    HB3  SER  21           HB3      SER  21   7.791   3.118  10.349
  164    HG   SER  21           HG       SER  21  10.493   2.972   9.662
  165    H    PHE  22           H        PHE  22   6.608  -0.234   9.213
  166    HA   PHE  22           HA       PHE  22   4.379   1.057   7.819
  167    HB2  PHE  22           HB2      PHE  22   5.203  -1.857   7.770
  168    HB3  PHE  22           HB3      PHE  22   3.698  -1.201   7.124
  169    HD1  PHE  22           HD1      PHE  22   5.607   1.257   6.158
  170    HD2  PHE  22           HD2      PHE  22   5.323  -2.893   5.578
  171    HE1  PHE  22           HE1      PHE  22   6.563   1.564   4.003
  172    HE2  PHE  22           HE2      PHE  22   6.349  -2.674   3.372
  173    HZ   PHE  22           HZ       PHE  22   6.973  -0.505   2.525
  174    H    LYS  23           H        LYS  23   2.371   0.310   8.838
  175    HA   LYS  23           HA       LYS  23   2.861  -1.159  11.326
  176    HB2  LYS  23           HB2      LYS  23   0.820   1.012  10.896
  177    HB3  LYS  23           HB3      LYS  23   0.896  -0.016  12.321
  178    HG2  LYS  23           HG2      LYS  23   3.162   0.867  12.777
  179    HG3  LYS  23           HG3      LYS  23   2.983   1.952  11.399
  180    HD2  LYS  23           HD2      LYS  23   2.479   3.135  13.445
  181    HD3  LYS  23           HD3      LYS  23   1.013   2.956  12.484
  182    HE2  LYS  23           HE2      LYS  23   0.300   1.088  13.887
  183    HE3  LYS  23           HE3      LYS  23   1.795   1.192  14.815
  184    HZ1  LYS  23           HZ1      LYS  23   1.118   3.401  15.536
  185    HZ2  LYS  23           HZ2      LYS  23  -0.059   2.255  15.936
  186    HZ3  LYS  23           HZ3      LYS  23  -0.280   3.287  14.623
  187    H    LYS  24           H        LYS  24   1.472  -2.766  11.857
  188    HA   LYS  24           HA       LYS  24  -0.363  -3.532   9.715
  189    HB2  LYS  24           HB2      LYS  24   1.418  -4.982   9.791
  190    HB3  LYS  24           HB3      LYS  24   1.314  -5.256  11.544
  191    HG2  LYS  24           HG2      LYS  24  -1.157  -6.016  10.781
  192    HG3  LYS  24           HG3      LYS  24  -0.288  -6.364   9.293
  193    HD2  LYS  24           HD2      LYS  24   0.394  -7.430  12.028
  194    HD3  LYS  24           HD3      LYS  24  -0.471  -8.310  10.775
  195    HE2  LYS  24           HE2      LYS  24   1.542  -8.097   9.336
  196    HE3  LYS  24           HE3      LYS  24   2.386  -7.360  10.700
  197    HZ1  LYS  24           HZ1      LYS  24   1.138 -10.038  10.725
  198    HZ2  LYS  24           HZ2      LYS  24   2.068  -9.391  11.968
  199    HZ3  LYS  24           HZ3      LYS  24   2.785  -9.786  10.492
  200    H    SER  25           H        SER  25  -2.339  -3.529  10.199
  201    HA   SER  25           HA       SER  25  -3.327  -4.838  12.562
  202    HB2  SER  25           HB2      SER  25  -5.032  -2.969  12.840
  203    HB3  SER  25           HB3      SER  25  -3.391  -2.461  13.247
  204    HG   SER  25           HG       SER  25  -4.378  -2.178  10.649
  205    H    SER  26           H        SER  26  -5.064  -6.205  11.644
  206    HA   SER  26           HA       SER  26  -5.369  -5.550   8.824
  207    HB2  SER  26           HB2      SER  26  -6.520  -7.809   8.719
  208    HB3  SER  26           HB3      SER  26  -4.819  -7.846   9.190
  209    HG   SER  26           HG       SER  26  -6.744  -7.620  11.192
  210    H    ASP  27           H        ASP  27  -6.601  -3.895   8.879
  211    HA   ASP  27           HA       ASP  27  -9.515  -4.291   9.116
  212    HB2  ASP  27           HB2      ASP  27  -7.872  -1.889   9.723
  213    HB3  ASP  27           HB3      ASP  27  -9.634  -1.928   9.612
  214    H    LEU  28           H        LEU  28 -10.038  -4.498   7.091
  215    HA   LEU  28           HA       LEU  28  -8.308  -3.536   5.040
  216    HB2  LEU  28           HB2      LEU  28  -9.962  -5.402   4.770
  217    HB3  LEU  28           HB3      LEU  28 -11.251  -4.223   4.868
  218    HG   LEU  28           HG       LEU  28 -10.317  -3.155   2.793
  219   HD11  LEU  28          HD11      LEU  28  -8.632  -5.631   2.739
  220   HD12  LEU  28          HD12      LEU  28  -8.059  -3.968   2.900
  221   HD13  LEU  28          HD13      LEU  28  -8.830  -4.496   1.406
  222   HD21  LEU  28          HD21      LEU  28 -11.219  -4.850   1.289
  223   HD22  LEU  28          HD22      LEU  28 -12.235  -4.642   2.714
  224   HD23  LEU  28          HD23      LEU  28 -11.160  -6.034   2.592
  225    H    ASP  29           H        ASP  29 -11.329  -2.359   6.361
  226    HA   ASP  29           HA       ASP  29 -11.571   0.004   4.821
  227    HB2  ASP  29           HB2      ASP  29 -12.434  -0.463   7.639
  228    HB3  ASP  29           HB3      ASP  29 -13.042   0.820   6.599
  229    H    GLU  30           H        GLU  30 -10.265  -0.641   8.027
  230    HA   GLU  30           HA       GLU  30  -9.625   2.011   8.448
  231    HB2  GLU  30           HB2      GLU  30  -8.684  -0.280  10.141
  232    HB3  GLU  30           HB3      GLU  30  -8.432   1.412  10.477
  233    HG2  GLU  30           HG2      GLU  30 -10.946   1.703  10.424
  234    HG3  GLU  30           HG3      GLU  30 -11.038  -0.051  10.378
  235    H    CYS  31           H        CYS  31  -7.690  -0.461   7.147
  236    HA   CYS  31           HA       CYS  31  -5.233   0.872   7.425
  237    HB2  CYS  31           HB2      CYS  31  -6.265  -1.020   5.290
  238    HB3  CYS  31           HB3      CYS  31  -4.620  -0.341   5.191
  239    H    LYS  32           H        LYS  32  -7.768   1.442   5.110
  240    HA   LYS  32           HA       LYS  32  -6.208   3.211   3.464
  241    HB2  LYS  32           HB2      LYS  32  -9.298   3.293   3.551
  242    HB3  LYS  32           HB3      LYS  32  -8.199   4.035   2.507
  243    HG2  LYS  32           HG2      LYS  32  -9.507   1.973   1.942
  244    HG3  LYS  32           HG3      LYS  32  -7.960   2.258   1.169
  245    HD2  LYS  32           HD2      LYS  32  -7.055   0.801   3.058
  246    HD3  LYS  32           HD3      LYS  32  -8.762   0.495   3.403
  247    HE2  LYS  32           HE2      LYS  32  -9.263  -0.586   1.451
  248    HE3  LYS  32           HE3      LYS  32  -7.844  -0.019   0.598
  249    HZ1  LYS  32           HZ1      LYS  32  -7.868  -1.993   2.813
  250    HZ2  LYS  32           HZ2      LYS  32  -6.498  -1.570   1.908
  251    HZ3  LYS  32           HZ3      LYS  32  -7.752  -2.347   1.160
  252    H    LYS  33           H        LYS  33  -8.440   3.444   6.093
  253    HA   LYS  33           HA       LYS  33  -8.628   6.195   6.175
  254    HB2  LYS  33           HB2      LYS  33  -9.976   5.883   8.042
  255    HB3  LYS  33           HB3      LYS  33  -9.883   4.196   7.539
  256    HG2  LYS  33           HG2      LYS  33  -8.184   3.737   8.949
  257    HG3  LYS  33           HG3      LYS  33  -7.970   5.414   9.484
  258    HD2  LYS  33           HD2      LYS  33 -10.437   5.166  10.315
  259    HD3  LYS  33           HD3      LYS  33 -10.147   3.436  10.144
  260    HE2  LYS  33           HE2      LYS  33  -8.527   5.340  11.833
  261    HE3  LYS  33           HE3      LYS  33  -9.715   4.194  12.434
  262    HZ1  LYS  33           HZ1      LYS  33  -7.350   3.552  12.645
  263    HZ2  LYS  33           HZ2      LYS  33  -7.229   3.336  10.990
  264    HZ3  LYS  33           HZ3      LYS  33  -8.302   2.394  11.966
  265    H    THR  34           H        THR  34  -6.340   3.904   7.809
  266    HA   THR  34           HA       THR  34  -5.050   5.881   9.238
  267    HB   THR  34           HB       THR  34  -3.915   3.211   8.349
  268    HG1  THR  34           HG1      THR  34  -4.998   2.380  10.119
  269   HG21  THR  34          HG21      THR  34  -2.553   3.478  10.378
  270   HG22  THR  34          HG22      THR  34  -3.320   5.034  10.698
  271   HG23  THR  34          HG23      THR  34  -2.295   4.835   9.280
  272    H    CYS  35           H        CYS  35  -4.517   4.483   5.999
  273    HA   CYS  35           HA       CYS  35  -2.356   6.112   5.673
  274    HB2  CYS  35           HB2      CYS  35  -3.768   4.328   3.884
  275    HB3  CYS  35           HB3      CYS  35  -3.011   5.701   3.032
  276    H    PHE  36           H        PHE  36  -5.647   6.946   5.131
  277    HA   PHE  36           HA       PHE  36  -5.166   9.400   3.800
  278    HB2  PHE  36           HB2      PHE  36  -7.339   8.948   5.870
  279    HB3  PHE  36           HB3      PHE  36  -7.325  10.169   4.618
  280    HD1  PHE  36           HD1      PHE  36  -6.503   8.240   2.336
  281    HD2  PHE  36           HD2      PHE  36  -9.412   8.034   5.433
  282    HE1  PHE  36           HE1      PHE  36  -7.880   6.720   0.972
  283    HE2  PHE  36           HE2      PHE  36 -10.777   6.524   4.064
  284    HZ   PHE  36           HZ       PHE  36  -9.996   5.869   1.822
  285    H    LYS  37           H        LYS  37  -5.077   8.375   7.148
  286    HA   LYS  37           HA       LYS  37  -5.068  10.872   8.293
  287    HB2  LYS  37           HB2      LYS  37  -4.067   8.282   9.357
  288    HB3  LYS  37           HB3      LYS  37  -3.988   9.769  10.282
  289    HG2  LYS  37           HG2      LYS  37  -6.448   9.980  10.050
  290    HG3  LYS  37           HG3      LYS  37  -6.465   8.410   9.241
  291    HD2  LYS  37           HD2      LYS  37  -5.473   7.378  11.223
  292    HD3  LYS  37           HD3      LYS  37  -5.447   8.939  12.035
  293    HE2  LYS  37           HE2      LYS  37  -7.895   9.053  11.887
  294    HE3  LYS  37           HE3      LYS  37  -7.914   7.488  11.081
  295    HZ1  LYS  37           HZ1      LYS  37  -8.419   7.267  13.435
  296    HZ2  LYS  37           HZ2      LYS  37  -6.980   8.009  13.857
  297    HZ3  LYS  37           HZ3      LYS  37  -6.958   6.501  13.122
  298    H    THR  38           H        THR  38  -1.803   9.014   7.541
  299    HA   THR  38           HA       THR  38  -0.540  11.245   8.942
  300    HB   THR  38           HB       THR  38   0.826   9.585   6.836
  301    HG1  THR  38           HG1      THR  38  -0.130   8.733   9.369
  302   HG21  THR  38          HG21      THR  38   2.566   9.416   8.619
  303   HG22  THR  38          HG22      THR  38   1.600  10.476   9.636
  304   HG23  THR  38          HG23      THR  38   2.284  11.070   8.113
  305    H    GLU  39           H        GLU  39   1.512  12.281   7.042
  306    HA   GLU  39           HA       GLU  39   0.241  13.189   4.636
  307    HB2  GLU  39           HB2      GLU  39   3.145  13.193   5.413
  308    HB3  GLU  39           HB3      GLU  39   2.452  14.031   4.032
  309    HG2  GLU  39           HG2      GLU  39   1.239  15.506   5.433
  310    HG3  GLU  39           HG3      GLU  39   1.645  14.574   6.870
  311    H    TYR  40           H        TYR  40   2.600  11.083   5.449
  312    HA   TYR  40           HA       TYR  40   3.368  10.272   2.939
  313    HB2  TYR  40           HB2      TYR  40   4.246   9.159   5.580
  314    HB3  TYR  40           HB3      TYR  40   5.004   8.880   4.004
  315    HD1  TYR  40           HD1      TYR  40   5.749  10.920   2.666
  316    HD2  TYR  40           HD2      TYR  40   4.919  11.016   6.832
  317    HE1  TYR  40           HE1      TYR  40   7.054  12.989   2.872
  318    HE2  TYR  40           HE2      TYR  40   6.213  13.091   7.043
  319    HH   TYR  40           HH       TYR  40   7.099  14.945   4.429
  320    H    CYS  41           H        CYS  41   1.048   9.047   4.915
  321    HA   CYS  41           HA       CYS  41   1.519   6.317   4.090
  322    HB2  CYS  41           HB2      CYS  41   0.456   7.054   6.293
  323    HB3  CYS  41           HB3      CYS  41  -1.016   7.312   5.356
  324    H    TYR  42           H        TYR  42   1.550   6.503   1.948
  325    HA   TYR  42           HA       TYR  42  -1.064   6.456   0.661
  326    HB2  TYR  42           HB2      TYR  42   0.103   7.598  -1.372
  327    HB3  TYR  42           HB3      TYR  42  -0.339   8.608  -0.006
  328    HD1  TYR  42           HD1      TYR  42   2.567   6.403  -0.603
  329    HD2  TYR  42           HD2      TYR  42   1.235  10.351   0.104
  330    HE1  TYR  42           HE1      TYR  42   4.884   7.129  -0.446
  331    HE2  TYR  42           HE2      TYR  42   3.588  11.108   0.283
  332    HH   TYR  42           HH       TYR  42   5.758  10.296   0.613
  333    H    ILE  43           H        ILE  43   1.411   4.601   1.506
  334    HA   ILE  43           HA       ILE  43   1.196   3.019  -0.956
  335    HB   ILE  43           HB       ILE  43   3.672   3.008   0.830
  336   HG12  ILE  43          HG12      ILE  43   3.842   5.076  -0.323
  337   HG13  ILE  43          HG13      ILE  43   4.887   3.932  -1.129
  338   HG21  ILE  43          HG21      ILE  43   4.703   1.645  -0.897
  339   HG22  ILE  43          HG22      ILE  43   3.182   1.638  -1.790
  340   HG23  ILE  43          HG23      ILE  43   3.273   0.885  -0.198
  341   HD11  ILE  43          HD11      ILE  43   3.211   3.605  -2.873
  342   HD12  ILE  43          HD12      ILE  43   3.752   5.286  -2.762
  343   HD13  ILE  43          HD13      ILE  43   2.190   4.812  -2.098
  344    H    VAL  44           H        VAL  44   0.618   0.898  -0.519
  345    HA   VAL  44           HA       VAL  44   0.590   0.198   2.304
  346    HB   VAL  44           HB       VAL  44  -1.572  -0.554   0.543
  347   HG11  VAL  44          HG11      VAL  44  -1.537  -0.118   3.497
  348   HG12  VAL  44          HG12      VAL  44  -1.584  -1.648   2.623
  349   HG13  VAL  44          HG13      VAL  44  -2.988  -0.579   2.605
  350   HG21  VAL  44          HG21      VAL  44  -1.822   1.746   0.106
  351   HG22  VAL  44          HG22      VAL  44  -1.602   2.185   1.809
  352   HG23  VAL  44          HG23      VAL  44  -3.070   1.364   1.275
  353    H    PHE  45           H        PHE  45   0.862  -2.063   2.560
  354    HA   PHE  45           HA       PHE  45   0.883  -3.619   0.070
  355    HB2  PHE  45           HB2      PHE  45   2.634  -4.050   2.526
  356    HB3  PHE  45           HB3      PHE  45   2.531  -5.153   1.169
  357    HD1  PHE  45           HD1      PHE  45   2.481  -2.787  -0.900
  358    HD2  PHE  45           HD2      PHE  45   5.030  -3.806   2.348
  359    HE1  PHE  45           HE1      PHE  45   4.328  -1.596  -1.969
  360    HE2  PHE  45           HE2      PHE  45   6.862  -2.627   1.265
  361    HZ   PHE  45           HZ       PHE  45   6.523  -1.530  -0.876
  362    H    GLU  46           H        GLU  46  -0.513  -5.255   0.135
  363    HA   GLU  46           HA       GLU  46  -1.609  -5.846   2.788
  364    HB2  GLU  46           HB2      GLU  46  -3.169  -5.569   0.233
  365    HB3  GLU  46           HB3      GLU  46  -3.879  -6.043   1.789
  366    HG2  GLU  46           HG2      GLU  46  -2.893  -3.735   2.629
  367    HG3  GLU  46           HG3      GLU  46  -2.768  -3.380   0.930
  368    H    ASP  47           H        ASP  47  -2.025  -7.940   3.315
  369    HA   ASP  47           HA       ASP  47  -0.577  -9.819   1.582
  370    HB2  ASP  47           HB2      ASP  47   0.067  -9.480   4.000
  371    HB3  ASP  47           HB3      ASP  47  -1.457 -10.259   4.436
  372    H    THR  48           H        THR  48  -1.459 -11.402   0.587
  373    HA   THR  48           HA       THR  48  -4.348 -11.769   0.720
  374    HB   THR  48           HB       THR  48  -2.310 -12.835  -1.264
  375    HG1  THR  48           HG1      THR  48  -3.968 -10.529  -1.240
  376   HG21  THR  48          HG21      THR  48  -4.245 -13.270  -2.714
  377   HG22  THR  48          HG22      THR  48  -5.334 -12.681  -1.454
  378   HG23  THR  48          HG23      THR  48  -4.404 -14.154  -1.196
  379    H    VAL  49           H        VAL  49  -1.390 -13.444   1.554
  380    HA   VAL  49           HA       VAL  49  -2.570 -16.102   1.497
  381    HB   VAL  49           HB       VAL  49   0.149 -15.208   2.501
  382   HG11  VAL  49          HG11      VAL  49   0.795 -17.569   2.283
  383   HG12  VAL  49          HG12      VAL  49  -0.866 -17.974   1.855
  384   HG13  VAL  49          HG13      VAL  49  -0.501 -17.345   3.460
  385   HG21  VAL  49          HG21      VAL  49   1.034 -16.033   0.381
  386   HG22  VAL  49          HG22      VAL  49  -0.133 -14.736   0.123
  387   HG23  VAL  49          HG23      VAL  49  -0.603 -16.414  -0.161
  388    H    ASN  50           H        ASN  50  -1.367 -13.824   3.774
  389    HA   ASN  50           HA       ASN  50  -2.127 -15.373   6.145
  390    HB2  ASN  50           HB2      ASN  50  -0.619 -12.824   5.691
  391    HB3  ASN  50           HB3      ASN  50  -0.841 -13.455   7.295
  392   HD21  ASN  50          HD21      ASN  50   0.866 -13.570   4.352
  393   HD22  ASN  50          HD22      ASN  50   2.000 -14.826   4.736
  394    H    LYS  51           H        LYS  51  -3.391 -13.124   4.096
  395    HA   LYS  51           HA       LYS  51  -4.637 -11.311   4.180
  396    HB2  LYS  51           HB2      LYS  51  -6.900 -11.465   5.144
  397    HB3  LYS  51           HB3      LYS  51  -6.484 -12.893   4.228
  398    HG2  LYS  51           HG2      LYS  51  -6.365 -12.773   7.237
  399    HG3  LYS  51           HG3      LYS  51  -7.837 -13.163   6.359
  400    HD2  LYS  51           HD2      LYS  51  -6.695 -15.083   5.340
  401    HD3  LYS  51           HD3      LYS  51  -5.234 -14.679   6.246
  402    HE2  LYS  51           HE2      LYS  51  -7.907 -15.362   7.459
  403    HE3  LYS  51           HE3      LYS  51  -6.552 -16.471   7.319
  404    HZ1  LYS  51           HZ1      LYS  51  -5.271 -15.043   8.769
  405    HZ2  LYS  51           HZ2      LYS  51  -6.698 -15.516   9.498
  406    HZ3  LYS  51           HZ3      LYS  51  -6.536 -13.943   8.906
  407    H    GLU  52           H        GLU  52  -3.066 -10.158   4.955
  408    HA   GLU  52           HA       GLU  52  -3.656  -8.925   7.526
  409    HB2  GLU  52           HB2      GLU  52  -0.926  -9.906   6.644
  410    HB3  GLU  52           HB3      GLU  52  -1.107  -8.792   7.971
  411    HG2  GLU  52           HG2      GLU  52  -2.573 -10.510   9.077
  412    HG3  GLU  52           HG3      GLU  52  -2.077 -11.621   7.804
  413    H    CYS  53           H        CYS  53  -1.962  -6.822   7.615
  414    HA   CYS  53           HA       CYS  53  -2.006  -5.569   5.008
  415    HB2  CYS  53           HB2      CYS  53  -4.293  -5.235   5.748
  416    HB3  CYS  53           HB3      CYS  53  -3.732  -4.663   7.323
  417    H    TYR  54           H        TYR  54  -0.218  -4.299   4.890
  418    HA   TYR  54           HA       TYR  54   0.704  -3.048   7.373
  419    HB2  TYR  54           HB2      TYR  54   2.248  -4.397   5.200
  420    HB3  TYR  54           HB3      TYR  54   2.888  -2.892   5.836
  421    HD1  TYR  54           HD1      TYR  54   3.230  -2.772   8.382
  422    HD2  TYR  54           HD2      TYR  54   2.763  -6.415   6.269
  423    HE1  TYR  54           HE1      TYR  54   4.357  -3.940  10.196
  424    HE2  TYR  54           HE2      TYR  54   3.903  -7.617   8.096
  425    HH   TYR  54           HH       TYR  54   5.422  -7.176   9.914
  426    H    TYR  55           H        TYR  55   0.619  -0.986   7.247
  427    HA   TYR  55           HA       TYR  55   0.441   0.165   4.572
  428    HB2  TYR  55           HB2      TYR  55  -0.841   2.172   5.738
  429    HB3  TYR  55           HB3      TYR  55  -1.648   0.674   5.390
  430    HD1  TYR  55           HD1      TYR  55   0.032   2.460   8.201
  431    HD2  TYR  55           HD2      TYR  55  -2.733  -0.529   6.995
  432    HE1  TYR  55           HE1      TYR  55  -0.720   2.198  10.534
  433    HE2  TYR  55           HE2      TYR  55  -3.478  -0.799   9.304
  434    HH   TYR  55           HH       TYR  55  -2.763  -0.413  11.519
  435    H    ASN  56           H        ASN  56   1.697   1.595   3.860
  436    HA   ASN  56           HA       ASN  56   4.175   2.109   5.332
  437    HB2  ASN  56           HB2      ASN  56   4.498   1.688   3.023
  438    HB3  ASN  56           HB3      ASN  56   3.165   2.780   2.608
  439   HD21  ASN  56          HD21      ASN  56   3.562   4.899   2.396
  440   HD22  ASN  56          HD22      ASN  56   5.135   5.644   2.492
  441    H    VAL  57           H        VAL  57   4.670   3.600   6.531
  442    HA   VAL  57           HA       VAL  57   2.840   5.920   6.526
  443    HB   VAL  57           HB       VAL  57   3.282   6.294   8.913
  444   HG11  VAL  57          HG11      VAL  57   2.078   4.350   9.806
  445   HG12  VAL  57          HG12      VAL  57   2.356   3.502   8.286
  446   HG13  VAL  57          HG13      VAL  57   1.368   4.960   8.313
  447   HG21  VAL  57          HG21      VAL  57   4.909   3.750   8.775
  448   HG22  VAL  57          HG22      VAL  57   4.455   4.590  10.259
  449   HG23  VAL  57          HG23      VAL  57   5.526   5.370   9.096
  450    H    VAL  58           H        VAL  58   5.776   5.213   5.535
  451    HA   VAL  58           HA       VAL  58   6.810   7.937   6.156
  452    HB   VAL  58           HB       VAL  58   8.609   5.578   5.464
  453   HG11  VAL  58          HG11      VAL  58   9.186   8.225   6.790
  454   HG12  VAL  58          HG12      VAL  58   9.854   7.614   5.259
  455   HG13  VAL  58          HG13      VAL  58  10.306   6.880   6.778
  456   HG21  VAL  58          HG21      VAL  58   7.424   4.898   7.448
  457   HG22  VAL  58          HG22      VAL  58   7.800   6.437   8.229
  458   HG23  VAL  58          HG23      VAL  58   9.098   5.308   7.848
  459    H    ASP  59           H        ASP  59   8.697   8.178   4.295
  460    HA   ASP  59           HA       ASP  59   7.271   8.823   2.024
  461    HB2  ASP  59           HB2      ASP  59  10.254   8.555   2.423
  462    HB3  ASP  59           HB3      ASP  59   9.565   9.050   0.889
  463    H    GLY  60           H        GLY  60   6.278   7.338   1.004
  464    HA2  GLY  60           HA2      GLY  60   7.597   4.861   0.309
  465    HA3  GLY  60           HA3      GLY  60   5.856   5.112   0.285
  466    H    GLU  61           H        GLU  61   6.851   7.897  -0.900
  467    HA   GLU  61           HA       GLU  61   6.530   7.334  -3.628
  468    HB2  GLU  61           HB2      GLU  61   7.462   9.640  -3.964
  469    HB3  GLU  61           HB3      GLU  61   6.158   9.589  -2.785
  470    HG2  GLU  61           HG2      GLU  61   7.796   9.657  -0.969
  471    HG3  GLU  61           HG3      GLU  61   9.102   9.699  -2.152
  472    H    GLU  62           H        GLU  62   9.124   7.212  -1.437
  473    HA   GLU  62           HA       GLU  62  11.255   7.035  -3.278
  474    HB2  GLU  62           HB2      GLU  62  11.667   7.759  -0.993
  475    HB3  GLU  62           HB3      GLU  62  11.032   6.245  -0.370
  476    HG2  GLU  62           HG2      GLU  62  12.880   5.055  -1.499
  477    HG3  GLU  62           HG3      GLU  62  13.540   6.607  -1.991
  478    H    LEU  63           H        LEU  63   8.793   4.832  -2.189
  479    HA   LEU  63           HA       LEU  63  10.538   2.562  -2.612
  480    HB2  LEU  63           HB2      LEU  63   7.567   2.598  -1.946
  481    HB3  LEU  63           HB3      LEU  63   8.581   1.169  -2.080
  482    HG   LEU  63           HG       LEU  63   8.913   3.344  -0.024
  483   HD11  LEU  63          HD11      LEU  63   7.792   0.557   0.227
  484   HD12  LEU  63          HD12      LEU  63   6.875   2.059   0.338
  485   HD13  LEU  63          HD13      LEU  63   8.086   1.674   1.558
  486   HD21  LEU  63          HD21      LEU  63  10.472   1.765   1.029
  487   HD22  LEU  63          HD22      LEU  63  11.029   2.266  -0.565
  488   HD23  LEU  63          HD23      LEU  63  10.293   0.680  -0.350
  489    H    ASP  64           H        ASP  64  11.046   2.183  -4.526
  490    HA   ASP  64           HA       ASP  64   9.153   2.695  -6.673
  491    HB2  ASP  64           HB2      ASP  64  11.517   3.551  -6.782
  492    HB3  ASP  64           HB3      ASP  64  12.032   1.873  -6.917
  493    H    GLN  65           H        GLN  65   8.158   1.212  -7.559
  494    HA   GLN  65           HA       GLN  65   7.998  -1.415  -6.569
  495    HB2  GLN  65           HB2      GLN  65   6.662  -1.784  -8.659
  496    HB3  GLN  65           HB3      GLN  65   5.946  -0.716  -7.422
  497    HG2  GLN  65           HG2      GLN  65   7.299   0.041 -10.040
  498    HG3  GLN  65           HG3      GLN  65   5.561  -0.065  -9.805
  499   HE21  GLN  65          HE21      GLN  65   4.557   1.519  -8.549
  500   HE22  GLN  65          HE22      GLN  65   5.299   3.058  -8.255
  501    H    GLU  66           H        GLU  66   9.355  -0.107  -9.374
  502    HA   GLU  66           HA       GLU  66   9.968  -2.542 -10.651
  503    HB2  GLU  66           HB2      GLU  66  11.330   0.117 -11.018
  504    HB3  GLU  66           HB3      GLU  66  11.521  -1.277 -12.073
  505    HG2  GLU  66           HG2      GLU  66   9.164  -1.201 -12.630
  506    HG3  GLU  66           HG3      GLU  66   8.912   0.197 -11.598
  507    H    LYS  67           H        LYS  67  11.587  -1.002  -8.009
  508    HA   LYS  67           HA       LYS  67  13.857  -2.810  -8.410
  509    HB2  LYS  67           HB2      LYS  67  13.591  -0.512  -6.451
  510    HB3  LYS  67           HB3      LYS  67  14.967  -1.605  -6.487
  511    HG2  LYS  67           HG2      LYS  67  15.695   0.253  -7.685
  512    HG3  LYS  67           HG3      LYS  67  15.219  -0.888  -8.942
  513    HD2  LYS  67           HD2      LYS  67  12.912   0.368  -8.809
  514    HD3  LYS  67           HD3      LYS  67  13.866   1.581  -7.985
  515    HE2  LYS  67           HE2      LYS  67  15.388   1.739  -9.861
  516    HE3  LYS  67           HE3      LYS  67  14.445   0.521 -10.726
  517    HZ1  LYS  67           HZ1      LYS  67  13.608   3.264  -9.982
  518    HZ2  LYS  67           HZ2      LYS  67  12.507   2.074 -10.477
  519    HZ3  LYS  67           HZ3      LYS  67  13.731   2.605 -11.514
  520    H    PHE  68           H        PHE  68  11.023  -3.099  -7.234
  521    HA   PHE  68           HA       PHE  68  11.517  -4.457  -4.770
  522    HB2  PHE  68           HB2      PHE  68   9.215  -3.647  -6.374
  523    HB3  PHE  68           HB3      PHE  68   8.948  -5.174  -5.535
  524    HD1  PHE  68           HD1      PHE  68  10.728  -1.985  -4.674
  525    HD2  PHE  68           HD2      PHE  68   7.647  -4.733  -3.577
  526    HE1  PHE  68           HE1      PHE  68  10.301  -0.719  -2.595
  527    HE2  PHE  68           HE2      PHE  68   7.254  -3.495  -1.566
  528    HZ   PHE  68           HZ       PHE  68   8.544  -1.518  -1.024
  529    H    VAL  69           H        VAL  69  11.322  -6.680  -4.417
  530    HA   VAL  69           HA       VAL  69  11.652  -8.316  -6.861
  531    HB   VAL  69           HB       VAL  69  12.858  -8.791  -4.097
  532   HG11  VAL  69          HG11      VAL  69  12.338 -10.878  -5.229
  533   HG12  VAL  69          HG12      VAL  69  14.085 -10.636  -5.138
  534   HG13  VAL  69          HG13      VAL  69  13.231 -10.348  -6.655
  535   HG21  VAL  69          HG21      VAL  69  14.198  -7.969  -6.672
  536   HG22  VAL  69          HG22      VAL  69  15.030  -8.387  -5.174
  537   HG23  VAL  69          HG23      VAL  69  13.983  -6.966  -5.239
  538    H    VAL  70           H        VAL  70  10.543 -10.356  -6.757
  539    HA   VAL  70           HA       VAL  70   8.089  -9.895  -5.528
  540    HB   VAL  70           HB       VAL  70   8.064 -10.888  -7.571
  541   HG11  VAL  70          HG11      VAL  70   9.525 -13.282  -6.403
  542   HG12  VAL  70          HG12      VAL  70  10.177 -12.141  -7.572
  543   HG13  VAL  70          HG13      VAL  70   8.869 -13.229  -8.036
  544   HG21  VAL  70          HG21      VAL  70   6.597 -12.882  -7.250
  545   HG22  VAL  70          HG22      VAL  70   6.188 -11.522  -6.199
  546   HG23  VAL  70          HG23      VAL  70   7.080 -12.898  -5.553
  547    H    ASP  71           H        ASP  71   7.617 -10.009  -3.408
  548    HA   ASP  71           HA       ASP  71   7.883 -12.644  -2.184
  549    HB2  ASP  71           HB2      ASP  71   9.192 -10.768  -1.027
  550    HB3  ASP  71           HB3      ASP  71   7.648  -9.934  -0.888
  551    H    GLU  72           H        GLU  72   6.195 -13.503  -2.754
  552    HA   GLU  72           HA       GLU  72   3.971 -12.382  -3.969
  553    HB2  GLU  72           HB2      GLU  72   3.700 -15.093  -2.824
  554    HB3  GLU  72           HB3      GLU  72   3.266 -14.494  -4.410
  555    HG2  GLU  72           HG2      GLU  72   5.007 -15.950  -4.854
  556    HG3  GLU  72           HG3      GLU  72   5.832 -14.396  -4.794
  557    H    ASN  73           H        ASN  73   4.376 -13.050  -0.616
  558    HA   ASN  73           HA       ASN  73   1.706 -13.580   0.053
  559    HB2  ASN  73           HB2      ASN  73   2.296 -12.781   2.400
  560    HB3  ASN  73           HB3      ASN  73   3.254 -14.098   1.742
  561   HD21  ASN  73          HD21      ASN  73   4.851 -13.579   3.252
  562   HD22  ASN  73          HD22      ASN  73   5.932 -12.240   2.974
  563    H    PHE  74           H        PHE  74   3.257 -10.514  -0.231
  564    HA   PHE  74           HA       PHE  74   0.688  -9.191   0.348
  565    HB2  PHE  74           HB2      PHE  74   3.474  -7.998   0.410
  566    HB3  PHE  74           HB3      PHE  74   2.008  -7.055   0.474
  567    HD1  PHE  74           HD1      PHE  74   4.002  -9.560   2.323
  568    HD2  PHE  74           HD2      PHE  74   0.826  -6.759   2.481
  569    HE1  PHE  74           HE1      PHE  74   3.962  -9.752   4.762
  570    HE2  PHE  74           HE2      PHE  74   0.768  -6.951   4.927
  571    HZ   PHE  74           HZ       PHE  74   2.343  -8.458   6.072
  572    H    THR  75           H        THR  75   0.288  -7.230  -0.859
  573    HA   THR  75           HA       THR  75   0.861  -7.554  -3.732
  574    HB   THR  75           HB       THR  75  -1.397  -6.497  -3.910
  575    HG1  THR  75           HG1      THR  75  -1.751  -7.094  -1.181
  576   HG21  THR  75          HG21      THR  75  -2.707  -8.436  -3.232
  577   HG22  THR  75          HG22      THR  75  -1.361  -9.007  -2.245
  578   HG23  THR  75          HG23      THR  75  -1.194  -8.930  -3.997
  579    H    GLU  76           H        GLU  76   1.857  -5.655  -4.669
  580    HA   GLU  76           HA       GLU  76   2.227  -3.647  -2.653
  581    HB2  GLU  76           HB2      GLU  76   4.187  -2.848  -3.858
  582    HB3  GLU  76           HB3      GLU  76   4.299  -4.593  -3.733
  583    HG2  GLU  76           HG2      GLU  76   3.581  -4.821  -6.050
  584    HG3  GLU  76           HG3      GLU  76   3.400  -3.087  -6.195
  585    H    ASN  77           H        ASN  77   1.103  -1.793  -2.767
  586    HA   ASN  77           HA       ASN  77   0.323  -1.008  -5.394
  587    HB2  ASN  77           HB2      ASN  77  -2.188  -0.791  -4.735
  588    HB3  ASN  77           HB3      ASN  77  -1.420  -2.353  -4.785
  589   HD21  ASN  77          HD21      ASN  77  -0.885  -0.475  -1.941
  590   HD22  ASN  77          HD22      ASN  77  -1.917  -1.489  -0.968
  591    H    TYR  78           H        TYR  78   0.465   1.037  -5.773
  592    HA   TYR  78           HA       TYR  78   1.329   2.698  -3.475
  593    HB2  TYR  78           HB2      TYR  78   2.480   2.858  -6.323
  594    HB3  TYR  78           HB3      TYR  78   3.002   3.778  -4.930
  595    HD1  TYR  78           HD1      TYR  78   2.664   0.199  -5.926
  596    HD2  TYR  78           HD2      TYR  78   4.891   3.173  -3.876
  597    HE1  TYR  78           HE1      TYR  78   4.393  -1.443  -5.400
  598    HE2  TYR  78           HE2      TYR  78   6.606   1.524  -3.349
  599    HH   TYR  78           HH       TYR  78   6.527  -1.664  -4.702
  600    H    LEU  79           H        LEU  79   0.231   4.595  -3.231
  601    HA   LEU  79           HA       LEU  79  -1.557   5.386  -5.342
  602    HB2  LEU  79           HB2      LEU  79  -2.142   5.556  -2.905
  603    HB3  LEU  79           HB3      LEU  79  -0.902   6.775  -2.756
  604    HG   LEU  79           HG       LEU  79  -3.299   7.115  -4.565
  605   HD11  LEU  79          HD11      LEU  79  -2.871   7.995  -1.756
  606   HD12  LEU  79          HD12      LEU  79  -3.966   6.718  -2.341
  607   HD13  LEU  79          HD13      LEU  79  -4.242   8.411  -2.809
  608   HD21  LEU  79          HD21      LEU  79  -1.372   8.623  -4.993
  609   HD22  LEU  79          HD22      LEU  79  -1.459   9.164  -3.315
  610   HD23  LEU  79          HD23      LEU  79  -2.803   9.474  -4.423
  611    H    THR  80           H        THR  80  -0.822   6.337  -6.870
  612    HA   THR  80           HA       THR  80   1.269   8.327  -6.521
  613    HB   THR  80           HB       THR  80   1.266   6.351  -8.823
  614    HG1  THR  80           HG1      THR  80   2.153   6.252  -6.272
  615   HG21  THR  80          HG21      THR  80   2.309   8.551  -9.314
  616   HG22  THR  80          HG22      THR  80   3.509   7.259  -9.252
  617   HG23  THR  80          HG23      THR  80   3.334   8.364  -7.889
  618    H    ASP  81           H        ASP  81   0.574  10.223  -7.170
  619    HA   ASP  81           HA       ASP  81   0.183  11.838  -8.691
  620    HB2  ASP  81           HB2      ASP  81  -0.751   9.664 -10.566
  621    HB3  ASP  81           HB3      ASP  81  -0.773  11.370 -10.965
  622    H    CYS  82           H        CYS  82  -2.398   9.499  -9.053
  623    HA   CYS  82           HA       CYS  82  -4.335  11.346  -9.670
  624    HB2  CYS  82           HB2      CYS  82  -5.991   9.533  -9.161
  625    HB3  CYS  82           HB3      CYS  82  -4.721   9.106 -10.290
  626    H    GLU  83           H        GLU  83  -4.162   9.726  -6.500
  627    HA   GLU  83           HA       GLU  83  -5.380  10.033  -4.617
  628    HB2  GLU  83           HB2      GLU  83  -4.995  12.971  -5.257
  629    HB3  GLU  83           HB3      GLU  83  -5.542  12.345  -3.711
  630    HG2  GLU  83           HG2      GLU  83  -3.430  11.194  -3.406
  631    HG3  GLU  83           HG3      GLU  83  -2.868  11.793  -4.969
  632    H    GLY  84           H        GLY  84  -7.299   9.233  -4.914
  633    HA2  GLY  84           HA2      GLY  84  -9.620  10.747  -5.169
  634    HA3  GLY  84           HA3      GLY  84  -9.213  10.132  -6.773
  635    H    LYS  85           H        LYS  85 -11.500   9.262  -5.536
  636    HA   LYS  85           HA       LYS  85 -10.694   6.795  -4.277
  637    HB2  LYS  85           HB2      LYS  85 -13.364   8.188  -4.329
  638    HB3  LYS  85           HB3      LYS  85 -13.198   6.542  -3.744
  639    HG2  LYS  85           HG2      LYS  85 -13.162   8.062  -1.857
  640    HG3  LYS  85           HG3      LYS  85 -11.568   7.351  -2.056
  641    HD2  LYS  85           HD2      LYS  85 -10.862   9.420  -3.262
  642    HD3  LYS  85           HD3      LYS  85 -12.434  10.120  -2.887
  643    HE2  LYS  85           HE2      LYS  85 -10.771  10.887  -1.304
  644    HE3  LYS  85           HE3      LYS  85 -11.963   9.875  -0.502
  645    HZ1  LYS  85           HZ1      LYS  85 -10.318   8.007  -0.682
  646    HZ2  LYS  85           HZ2      LYS  85  -9.802   9.313   0.265
  647    HZ3  LYS  85           HZ3      LYS  85  -9.191   9.125  -1.276
  648    H    ASP  86           H        ASP  86 -12.573   7.760  -7.094
  649    HA   ASP  86           HA       ASP  86 -12.491   4.956  -7.885
  650    HB2  ASP  86           HB2      ASP  86 -13.999   5.463  -9.734
  651    HB3  ASP  86           HB3      ASP  86 -14.663   6.163  -8.272
  652    H    ALA  87           H        ALA  87 -11.511   8.109  -9.159
  653    HA   ALA  87           HA       ALA  87  -9.833   8.854 -10.419
  654    HB1  ALA  87           HB1      ALA  87  -7.668   7.798 -10.300
  655    HB2  ALA  87           HB2      ALA  87  -8.400   6.310  -9.701
  656    HB3  ALA  87           HB3      ALA  87  -8.443   7.773  -8.717
  657    H    GLY  88           H        GLY  88 -10.041   5.421 -11.153
  658    HA2  GLY  88           HA2      GLY  88 -10.928   5.489 -13.732
  659    HA3  GLY  88           HA3      GLY  88  -9.182   5.705 -13.859
  660    H    ASN  89           H        ASN  89  -7.849   4.068 -13.467
  661    HA   ASN  89           HA       ASN  89  -9.057   1.498 -12.712
  662    HB2  ASN  89           HB2      ASN  89  -8.010   1.476 -14.956
  663    HB3  ASN  89           HB3      ASN  89  -6.510   2.054 -14.255
  664   HD21  ASN  89          HD21      ASN  89  -8.626  -0.445 -12.858
  665   HD22  ASN  89          HD22      ASN  89  -7.469  -1.712 -13.007
  666    H    ALA  90           H        ALA  90  -8.839   1.555 -10.539
  667    HA   ALA  90           HA       ALA  90  -6.127   1.878  -9.483
  668    HB1  ALA  90           HB1      ALA  90  -7.081   2.891  -7.483
  669    HB2  ALA  90           HB2      ALA  90  -8.697   2.768  -8.173
  670    HB3  ALA  90           HB3      ALA  90  -7.502   3.835  -8.912
  671    H    ALA  91           H        ALA  91  -5.550  -0.118  -9.001
  672    HA   ALA  91           HA       ALA  91  -7.573  -1.995  -8.090
  673    HB1  ALA  91           HB1      ALA  91  -6.240  -2.745  -9.950
  674    HB2  ALA  91           HB2      ALA  91  -5.868  -3.721  -8.514
  675    HB3  ALA  91           HB3      ALA  91  -4.765  -2.450  -9.040
  676    H    GLY  92           H        GLY  92  -7.863  -1.830  -6.053
  677    HA2  GLY  92           HA2      GLY  92  -5.609  -1.425  -4.249
  678    HA3  GLY  92           HA3      GLY  92  -7.316  -1.328  -3.821
  679    H    THR  93           H        THR  93  -4.688  -3.041  -3.297
  680    HA   THR  93           HA       THR  93  -4.265  -4.979  -2.260
  681    HB   THR  93           HB       THR  93  -7.221  -5.659  -2.352
  682    HG1  THR  93           HG1      THR  93  -6.195  -4.458  -0.036
  683   HG21  THR  93          HG21      THR  93  -6.706  -6.890  -0.281
  684   HG22  THR  93          HG22      THR  93  -5.020  -6.389  -0.402
  685   HG23  THR  93          HG23      THR  93  -5.712  -7.458  -1.623
  686    H    GLY  94           H        GLY  94  -3.160  -5.592  -4.271
  687    HA2  GLY  94           HA2      GLY  94  -2.711  -7.233  -5.832
  688    HA3  GLY  94           HA3      GLY  94  -4.137  -8.083  -5.264
  689    H    ASP  95           H        ASP  95  -3.665  -8.330  -7.829
  690    HA   ASP  95           HA       ASP  95  -5.986  -7.252  -9.037
  691    HB2  ASP  95           HB2      ASP  95  -4.648  -5.291  -9.530
  692    HB3  ASP  95           HB3      ASP  95  -3.328  -6.290 -10.132
  693    H    GLU  96           H        GLU  96  -6.753  -8.919  -9.880
  694    HA   GLU  96           HA       GLU  96  -6.124 -10.394 -12.034
  695    HB2  GLU  96           HB2      GLU  96  -4.046 -11.204 -10.807
  696    HB3  GLU  96           HB3      GLU  96  -5.096 -11.870  -9.568
  697    HG2  GLU  96           HG2      GLU  96  -6.112 -13.349 -11.270
  698    HG3  GLU  96           HG3      GLU  96  -4.972 -12.721 -12.455
  699    H    SER  97           H        SER  97  -6.945 -10.593  -8.681
  700    HA   SER  97           HA       SER  97  -8.643 -12.579  -8.332
  701    HB2  SER  97           HB2      SER  97  -9.065  -9.853  -7.208
  702    HB3  SER  97           HB3      SER  97  -9.274 -11.426  -6.425
  703    HG   SER  97           HG       SER  97  -7.283 -10.147  -6.022
  704    H    ASP  98           H        ASP  98  -9.721  -9.248  -9.248
  705    HA   ASP  98           HA       ASP  98 -12.343 -10.457  -9.736
  706    HB2  ASP  98           HB2      ASP  98 -12.041  -8.516  -8.079
  707    HB3  ASP  98           HB3      ASP  98 -11.780  -7.534  -9.521
  708    H    GLU  99           H        GLU  99  -9.791 -10.046 -11.525
  709    HA   GLU  99           HA       GLU  99 -10.958  -8.527 -13.697
  710    HB2  GLU  99           HB2      GLU  99  -8.466  -8.592 -13.273
  711    HB3  GLU  99           HB3      GLU  99  -8.492 -10.290 -13.723
  712    HG2  GLU  99           HG2      GLU  99  -9.405  -9.604 -15.943
  713    HG3  GLU  99           HG3      GLU  99  -9.126  -7.931 -15.471
  714    H    VAL 100           H        VAL 100 -12.797  -9.614 -14.100
  715    HA   VAL 100           HA       VAL 100 -12.471 -12.413 -14.883
  716    HB   VAL 100           HB       VAL 100 -14.874 -12.796 -14.324
  717   HG11  VAL 100          HG11      VAL 100 -13.129 -11.821 -12.062
  718   HG12  VAL 100          HG12      VAL 100 -13.091 -13.428 -12.783
  719   HG13  VAL 100          HG13      VAL 100 -14.521 -12.892 -11.898
  720   HG21  VAL 100          HG21      VAL 100 -14.662 -10.076 -13.039
  721   HG22  VAL 100          HG22      VAL 100 -16.012 -11.190 -12.838
  722   HG23  VAL 100          HG23      VAL 100 -15.676 -10.482 -14.421
  723    H    ASP 101           H        ASP 101 -14.281  -9.511 -15.760
  724    HA   ASP 101           HA       ASP 101 -14.118  -9.844 -18.508
  725    HB2  ASP 101           HB2      ASP 101 -15.478 -11.906 -18.217
  726    HB3  ASP 101           HB3      ASP 101 -16.747 -10.948 -17.471
  727    H    GLU 102           H        GLU 102 -16.722  -9.144 -16.175
  728    HA   GLU 102           HA       GLU 102 -17.741  -6.824 -17.387
  729    HB2  GLU 102           HB2      GLU 102 -18.718  -8.087 -15.409
  730    HB3  GLU 102           HB3      GLU 102 -17.492  -7.314 -14.408
  731    HG2  GLU 102           HG2      GLU 102 -19.467  -6.065 -14.126
  732    HG3  GLU 102           HG3      GLU 102 -18.427  -5.115 -15.186
  733    H    ASP 103           H        ASP 103 -15.197  -7.375 -15.063
  734    HA   ASP 103           HA       ASP 103 -13.705  -5.135 -15.930
  735    HB2  ASP 103           HB2      ASP 103 -14.990  -4.249 -13.948
  736    HB3  ASP 103           HB3      ASP 103 -14.399  -5.601 -12.990
  Start of MODEL    6
    1    H1   GLU   1           H1       GLU   1 -18.409   5.668   0.765
    2    H2   GLU   1           H2       GLU   1 -18.401   7.322   0.434
    3    H3   GLU   1           H3       GLU   1 -18.723   6.761   1.995
    4    HA   GLU   1           HA       GLU   1 -16.176   6.453   0.555
    5    HB2  GLU   1           HB2      GLU   1 -16.903   8.094   2.979
    6    HB3  GLU   1           HB3      GLU   1 -15.265   7.842   2.398
    7    HG2  GLU   1           HG2      GLU   1 -15.883   8.948   0.291
    8    HG3  GLU   1           HG3      GLU   1 -17.486   9.261   0.960
    9    H    GLU   2           H        GLU   2 -16.142   4.291   0.847
   10    HA   GLU   2           HA       GLU   2 -15.418   3.421   3.492
   11    HB2  GLU   2           HB2      GLU   2 -17.048   1.622   3.619
   12    HB3  GLU   2           HB3      GLU   2 -17.880   3.155   3.493
   13    HG2  GLU   2           HG2      GLU   2 -17.536   1.112   1.284
   14    HG3  GLU   2           HG3      GLU   2 -18.997   1.388   2.218
   15    H    ARG   3           H        ARG   3 -14.318   3.748   0.725
   16    HA   ARG   3           HA       ARG   3 -13.426   0.986   0.371
   17    HB2  ARG   3           HB2      ARG   3 -14.140   2.873  -1.878
   18    HB3  ARG   3           HB3      ARG   3 -13.514   1.241  -2.053
   19    HG2  ARG   3           HG2      ARG   3 -15.515   0.358  -1.003
   20    HG3  ARG   3           HG3      ARG   3 -16.130   1.998  -0.821
   21    HD2  ARG   3           HD2      ARG   3 -15.950   2.215  -3.319
   22    HD3  ARG   3           HD3      ARG   3 -15.617   0.484  -3.359
   23    HE   ARG   3           HE       ARG   3 -17.996   1.476  -2.024
   24   HH11  ARG   3          HH11      ARG   3 -16.538  -0.559  -4.551
   25   HH12  ARG   3          HH12      ARG   3 -18.016  -1.149  -5.125
   26   HH21  ARG   3          HH21      ARG   3 -20.016   0.659  -2.831
   27   HH22  ARG   3          HH22      ARG   3 -20.054  -0.497  -4.081
   28    H    GLU   4           H        GLU   4 -11.717   1.416  -1.644
   29    HA   GLU   4           HA       GLU   4  -9.747   3.041  -0.304
   30    HB2  GLU   4           HB2      GLU   4  -8.337   1.713  -2.173
   31    HB3  GLU   4           HB3      GLU   4  -8.601   1.144  -0.542
   32    HG2  GLU   4           HG2      GLU   4  -9.017  -0.657  -1.835
   33    HG3  GLU   4           HG3      GLU   4 -10.566  -0.055  -1.366
   34    H    ASP   5           H        ASP   5  -8.634   4.504  -1.217
   35    HA   ASP   5           HA       ASP   5  -9.663   5.763  -3.612
   36    HB2  ASP   5           HB2      ASP   5  -8.500   7.052  -1.709
   37    HB3  ASP   5           HB3      ASP   5  -6.983   6.427  -2.354
   38    H    CYS   6           H        CYS   6  -7.677   6.398  -5.259
   39    HA   CYS   6           HA       CYS   6  -7.154   3.718  -6.089
   40    HB2  CYS   6           HB2      CYS   6  -6.410   5.073  -8.132
   41    HB3  CYS   6           HB3      CYS   6  -8.017   4.283  -8.029
   42    H    TRP   7           H        TRP   7  -5.491   2.984  -5.559
   43    HA   TRP   7           HA       TRP   7  -3.040   4.483  -5.800
   44    HB2  TRP   7           HB2      TRP   7  -3.173   1.640  -4.646
   45    HB3  TRP   7           HB3      TRP   7  -2.146   2.996  -4.260
   46    HD1  TRP   7           HD1      TRP   7  -4.630   5.039  -3.683
   47    HE1  TRP   7           HE1      TRP   7  -5.867   4.790  -1.521
   48    HE3  TRP   7           HE3      TRP   7  -3.304   0.283  -2.691
   49    HZ2  TRP   7           HZ2      TRP   7  -6.163   2.639   0.570
   50    HZ3  TRP   7           HZ3      TRP   7  -4.063  -0.777  -0.634
   51    HH2  TRP   7           HH2      TRP   7  -5.462   0.405   0.937
   52    H    THR   8           H        THR   8  -1.393   3.331  -6.940
   53    HA   THR   8           HA       THR   8  -2.549   1.802  -9.136
   54    HB   THR   8           HB       THR   8  -1.354   3.824  -9.883
   55    HG1  THR   8           HG1      THR   8  -1.194   1.646 -11.041
   56   HG21  THR   8          HG21      THR   8   1.119   2.578  -8.665
   57   HG22  THR   8          HG22      THR   8   0.321   4.047  -8.109
   58   HG23  THR   8          HG23      THR   8   1.108   4.010  -9.691
   59    H    PHE   9           H        PHE   9  -2.197  -0.224  -9.326
   60    HA   PHE   9           HA       PHE   9  -0.413  -1.483  -7.418
   61    HB2  PHE   9           HB2      PHE   9  -2.890  -2.074  -7.618
   62    HB3  PHE   9           HB3      PHE   9  -2.451  -2.852  -9.160
   63    HD1  PHE   9           HD1      PHE   9  -1.427  -2.600  -5.736
   64    HD2  PHE   9           HD2      PHE   9  -1.770  -5.104  -9.094
   65    HE1  PHE   9           HE1      PHE   9  -0.520  -4.407  -4.429
   66    HE2  PHE   9           HE2      PHE   9  -0.847  -6.993  -7.774
   67    HZ   PHE   9           HZ       PHE   9  -0.203  -6.550  -5.350
   68    H    TYR  10           H        TYR  10   1.389  -2.613  -8.095
   69    HA   TYR  10           HA       TYR  10   1.584  -2.860 -10.979
   70    HB2  TYR  10           HB2      TYR  10   3.467  -1.645  -9.972
   71    HB3  TYR  10           HB3      TYR  10   3.864  -3.023  -8.967
   72    HD1  TYR  10           HD1      TYR  10   2.910  -3.336 -12.543
   73    HD2  TYR  10           HD2      TYR  10   6.174  -3.252  -9.796
   74    HE1  TYR  10           HE1      TYR  10   4.429  -4.162 -14.295
   75    HE2  TYR  10           HE2      TYR  10   7.657  -4.073 -11.528
   76    HH   TYR  10           HH       TYR  10   6.725  -4.220 -14.825
   77    H    ALA  11           H        ALA  11   2.400  -4.953  -8.100
   78    HA   ALA  11           HA       ALA  11   1.269  -7.223  -9.365
   79    HB1  ALA  11           HB1      ALA  11   3.242  -7.033 -10.818
   80    HB2  ALA  11           HB2      ALA  11   3.346  -8.469  -9.801
   81    HB3  ALA  11           HB3      ALA  11   4.292  -7.036  -9.401
   82    H    ASN  12           H        ASN  12   1.822  -9.278  -7.903
   83    HA   ASN  12           HA       ASN  12   2.214  -8.105  -5.248
   84    HB2  ASN  12           HB2      ASN  12   1.853 -11.010  -6.143
   85    HB3  ASN  12           HB3      ASN  12   2.113 -10.528  -4.457
   86   HD21  ASN  12          HD21      ASN  12   0.091  -8.781  -6.733
   87   HD22  ASN  12          HD22      ASN  12  -1.422  -9.159  -5.956
   88    H    ARG  13           H        ARG  13   4.114  -7.667  -4.704
   89    HA   ARG  13           HA       ARG  13   6.365  -9.320  -5.141
   90    HB2  ARG  13           HB2      ARG  13   7.719  -7.476  -6.342
   91    HB3  ARG  13           HB3      ARG  13   6.605  -8.435  -7.296
   92    HG2  ARG  13           HG2      ARG  13   5.041  -6.668  -7.411
   93    HG3  ARG  13           HG3      ARG  13   5.909  -5.749  -6.190
   94    HD2  ARG  13           HD2      ARG  13   6.247  -4.921  -8.496
   95    HD3  ARG  13           HD3      ARG  13   7.736  -5.355  -7.668
   96    HE   ARG  13           HE       ARG  13   6.595  -7.411  -9.350
   97   HH11  ARG  13          HH11      ARG  13   8.807  -4.634  -9.229
   98   HH12  ARG  13          HH12      ARG  13   9.792  -5.205 -10.504
   99   HH21  ARG  13          HH21      ARG  13   7.909  -8.134 -11.130
  100   HH22  ARG  13          HH22      ARG  13   9.269  -7.245 -11.615
  101    H    LYS  14           H        LYS  14   8.426  -8.341  -4.223
  102    HA   LYS  14           HA       LYS  14   7.933  -6.038  -2.517
  103    HB2  LYS  14           HB2      LYS  14   7.123  -7.977  -1.350
  104    HB3  LYS  14           HB3      LYS  14   8.762  -8.607  -1.504
  105    HG2  LYS  14           HG2      LYS  14   9.693  -7.014  -0.199
  106    HG3  LYS  14           HG3      LYS  14   8.270  -5.991  -0.138
  107    HD2  LYS  14           HD2      LYS  14   8.514  -8.788   0.672
  108    HD3  LYS  14           HD3      LYS  14   8.573  -7.469   1.920
  109    HE2  LYS  14           HE2      LYS  14   6.278  -7.723   1.983
  110    HE3  LYS  14           HE3      LYS  14   6.335  -7.232   0.259
  111    HZ1  LYS  14           HZ1      LYS  14   6.371  -9.463  -0.465
  112    HZ2  LYS  14           HZ2      LYS  14   5.303  -9.580   0.811
  113    HZ3  LYS  14           HZ3      LYS  14   6.862 -10.057   1.007
  114    H    TYR  15           H        TYR  15   9.718  -4.851  -2.354
  115    HA   TYR  15           HA       TYR  15  12.348  -5.911  -2.770
  116    HB2  TYR  15           HB2      TYR  15  11.952  -3.532  -3.247
  117    HB3  TYR  15           HB3      TYR  15  11.247  -3.291  -1.660
  118    HD1  TYR  15           HD1      TYR  15  14.487  -4.296  -3.257
  119    HD2  TYR  15           HD2      TYR  15  12.552  -2.350  -0.007
  120    HE1  TYR  15           HE1      TYR  15  16.672  -3.544  -2.401
  121    HE2  TYR  15           HE2      TYR  15  14.722  -1.599   0.852
  122    HH   TYR  15           HH       TYR  15  17.546  -1.766  -0.980
  123    H    THR  16           H        THR  16  12.775  -7.437  -1.369
  124    HA   THR  16           HA       THR  16  11.529  -8.072   0.955
  125    HB   THR  16           HB       THR  16  13.726  -9.530   1.153
  126    HG1  THR  16           HG1      THR  16  14.750  -8.189  -0.491
  127   HG21  THR  16          HG21      THR  16  11.661  -9.763  -1.046
  128   HG22  THR  16          HG22      THR  16  11.469 -10.347   0.607
  129   HG23  THR  16          HG23      THR  16  12.673 -11.080  -0.452
  130    H    ASP  17           H        ASP  17  12.627  -5.367   1.320
  131    HA   ASP  17           HA       ASP  17  13.892  -5.884   3.893
  132    HB2  ASP  17           HB2      ASP  17  15.545  -4.769   2.428
  133    HB3  ASP  17           HB3      ASP  17  14.397  -3.465   2.136
  134    H    PHE  18           H        PHE  18  12.259  -5.761   5.175
  135    HA   PHE  18           HA       PHE  18   9.953  -4.076   4.561
  136    HB2  PHE  18           HB2      PHE  18  10.169  -6.623   5.351
  137    HB3  PHE  18           HB3      PHE  18  10.082  -5.866   6.933
  138    HD1  PHE  18           HD1      PHE  18   8.338  -6.175   3.696
  139    HD2  PHE  18           HD2      PHE  18   7.994  -5.246   7.829
  140    HE1  PHE  18           HE1      PHE  18   5.889  -6.159   3.479
  141    HE2  PHE  18           HE2      PHE  18   5.549  -5.233   7.621
  142    HZ   PHE  18           HZ       PHE  18   4.494  -5.692   5.433
  143    H    ASP  19           H        ASP  19  12.452  -2.986   5.512
  144    HA   ASP  19           HA       ASP  19  12.439  -2.282   8.277
  145    HB2  ASP  19           HB2      ASP  19  14.494  -2.412   6.991
  146    HB3  ASP  19           HB3      ASP  19  13.920  -1.146   5.925
  147    H    LYS  20           H        LYS  20  10.830  -1.034   5.599
  148    HA   LYS  20           HA       LYS  20  10.973   1.745   5.957
  149    HB2  LYS  20           HB2      LYS  20   8.816   0.192   4.562
  150    HB3  LYS  20           HB3      LYS  20   9.148   1.901   4.356
  151    HG2  LYS  20           HG2      LYS  20  10.980  -0.385   3.618
  152    HG3  LYS  20           HG3      LYS  20  10.046   0.617   2.510
  153    HD2  LYS  20           HD2      LYS  20  12.245   1.621   4.325
  154    HD3  LYS  20           HD3      LYS  20  12.442   1.243   2.619
  155    HE2  LYS  20           HE2      LYS  20  10.960   2.996   1.975
  156    HE3  LYS  20           HE3      LYS  20  10.467   3.285   3.639
  157    HZ1  LYS  20           HZ1      LYS  20  12.728   3.967   4.121
  158    HZ2  LYS  20           HZ2      LYS  20  12.043   4.957   2.950
  159    HZ3  LYS  20           HZ3      LYS  20  13.176   3.777   2.514
  160    H    SER  21           H        SER  21   9.358  -0.301   8.016
  161    HA   SER  21           HA       SER  21   8.034  -0.015   9.740
  162    HB2  SER  21           HB2      SER  21   9.332   1.878  10.410
  163    HB3  SER  21           HB3      SER  21   8.541   2.914   9.230
  164    HG   SER  21           HG       SER  21   6.679   2.782  10.375
  165    H    PHE  22           H        PHE  22   6.386  -1.029   8.990
  166    HA   PHE  22           HA       PHE  22   4.155   0.539   7.890
  167    HB2  PHE  22           HB2      PHE  22   4.664  -2.449   7.744
  168    HB3  PHE  22           HB3      PHE  22   3.289  -1.568   7.053
  169    HD1  PHE  22           HD1      PHE  22   5.258   0.770   6.330
  170    HD2  PHE  22           HD2      PHE  22   5.126  -3.361   5.488
  171    HE1  PHE  22           HE1      PHE  22   6.397   1.225   4.373
  172    HE2  PHE  22           HE2      PHE  22   6.373  -2.967   3.400
  173    HZ   PHE  22           HZ       PHE  22   7.027  -0.676   2.792
  174    H    LYS  23           H        LYS  23   2.288   0.508   8.982
  175    HA   LYS  23           HA       LYS  23   2.373  -0.815  11.595
  176    HB2  LYS  23           HB2      LYS  23   1.964   1.670  11.508
  177    HB3  LYS  23           HB3      LYS  23   0.494   1.346  10.604
  178    HG2  LYS  23           HG2      LYS  23  -0.057   1.769  12.907
  179    HG3  LYS  23           HG3      LYS  23  -0.371   0.074  12.536
  180    HD2  LYS  23           HD2      LYS  23   1.789  -0.535  13.532
  181    HD3  LYS  23           HD3      LYS  23   2.080   1.157  13.916
  182    HE2  LYS  23           HE2      LYS  23   0.103   1.167  15.344
  183    HE3  LYS  23           HE3      LYS  23  -0.190  -0.523  14.946
  184    HZ1  LYS  23           HZ1      LYS  23   2.215   0.510  16.355
  185    HZ2  LYS  23           HZ2      LYS  23   1.905  -1.107  15.988
  186    HZ3  LYS  23           HZ3      LYS  23   0.920  -0.285  17.072
  187    H    LYS  24           H        LYS  24   0.776  -2.367  12.090
  188    HA   LYS  24           HA       LYS  24  -1.034  -2.968   9.849
  189    HB2  LYS  24           HB2      LYS  24  -0.461  -5.142   9.781
  190    HB3  LYS  24           HB3      LYS  24   1.045  -4.316   9.876
  191    HG2  LYS  24           HG2      LYS  24   1.503  -4.906  12.099
  192    HG3  LYS  24           HG3      LYS  24  -0.163  -5.421  12.397
  193    HD2  LYS  24           HD2      LYS  24   0.143  -7.236  10.800
  194    HD3  LYS  24           HD3      LYS  24   1.799  -6.714  10.537
  195    HE2  LYS  24           HE2      LYS  24   2.354  -7.230  12.833
  196    HE3  LYS  24           HE3      LYS  24   0.670  -7.654  13.163
  197    HZ1  LYS  24           HZ1      LYS  24   2.388  -9.018  11.167
  198    HZ2  LYS  24           HZ2      LYS  24   0.797  -9.387  11.551
  199    HZ3  LYS  24           HZ3      LYS  24   2.027  -9.638  12.694
  200    H    SER  25           H        SER  25  -2.916  -3.134  10.334
  201    HA   SER  25           HA       SER  25  -3.833  -4.693  12.542
  202    HB2  SER  25           HB2      SER  25  -4.848  -1.870  11.993
  203    HB3  SER  25           HB3      SER  25  -5.505  -2.979  13.200
  204    HG   SER  25           HG       SER  25  -2.882  -2.715  13.534
  205    H    SER  26           H        SER  26  -5.587  -5.925  11.545
  206    HA   SER  26           HA       SER  26  -5.761  -5.164   8.758
  207    HB2  SER  26           HB2      SER  26  -6.918  -7.578  10.152
  208    HB3  SER  26           HB3      SER  26  -6.803  -7.324   8.407
  209    HG   SER  26           HG       SER  26  -4.497  -7.135   9.980
  210    H    ASP  27           H        ASP  27  -6.932  -3.414   8.811
  211    HA   ASP  27           HA       ASP  27  -9.851  -3.842   8.806
  212    HB2  ASP  27           HB2      ASP  27  -8.714  -2.155  10.611
  213    HB3  ASP  27           HB3      ASP  27  -8.741  -1.229   9.120
  214    H    LEU  28           H        LEU  28 -10.160  -4.094   6.756
  215    HA   LEU  28           HA       LEU  28  -8.384  -2.897   4.929
  216    HB2  LEU  28           HB2      LEU  28 -11.169  -3.977   4.493
  217    HB3  LEU  28           HB3      LEU  28 -10.252  -3.245   3.199
  218    HG   LEU  28           HG       LEU  28 -10.066  -5.588   2.947
  219   HD11  LEU  28          HD11      LEU  28  -8.025  -4.399   2.491
  220   HD12  LEU  28          HD12      LEU  28  -7.692  -6.016   3.105
  221   HD13  LEU  28          HD13      LEU  28  -7.494  -4.622   4.161
  222   HD21  LEU  28          HD21      LEU  28  -9.198  -7.097   4.682
  223   HD22  LEU  28          HD22      LEU  28 -10.705  -6.317   5.161
  224   HD23  LEU  28          HD23      LEU  28  -9.170  -5.748   5.819
  225    H    ASP  29           H        ASP  29 -11.295  -1.772   6.428
  226    HA   ASP  29           HA       ASP  29 -11.670   0.509   4.778
  227    HB2  ASP  29           HB2      ASP  29 -12.422   0.027   7.613
  228    HB3  ASP  29           HB3      ASP  29 -13.074   1.332   6.625
  229    H    GLU  30           H        GLU  30 -10.209  -0.049   7.900
  230    HA   GLU  30           HA       GLU  30  -9.497   2.629   8.269
  231    HB2  GLU  30           HB2      GLU  30  -8.319   0.368   9.904
  232    HB3  GLU  30           HB3      GLU  30  -8.089   2.067  10.169
  233    HG2  GLU  30           HG2      GLU  30 -10.527   2.346  10.455
  234    HG3  GLU  30           HG3      GLU  30 -10.682   0.590  10.364
  235    H    CYS  31           H        CYS  31  -7.684   0.039   6.991
  236    HA   CYS  31           HA       CYS  31  -5.226   1.439   6.952
  237    HB2  CYS  31           HB2      CYS  31  -6.256  -0.556   4.909
  238    HB3  CYS  31           HB3      CYS  31  -4.580   0.020   4.999
  239    H    LYS  32           H        LYS  32  -7.923   1.598   4.780
  240    HA   LYS  32           HA       LYS  32  -6.544   3.183   2.861
  241    HB2  LYS  32           HB2      LYS  32  -9.557   2.772   3.235
  242    HB3  LYS  32           HB3      LYS  32  -8.824   3.829   2.097
  243    HG2  LYS  32           HG2      LYS  32  -9.520   1.572   1.296
  244    HG3  LYS  32           HG3      LYS  32  -7.949   2.213   0.834
  245    HD2  LYS  32           HD2      LYS  32  -6.938   0.829   2.605
  246    HD3  LYS  32           HD3      LYS  32  -8.556   0.187   2.942
  247    HE2  LYS  32           HE2      LYS  32  -8.817  -0.761   0.747
  248    HE3  LYS  32           HE3      LYS  32  -7.286  -0.095   0.225
  249    HZ1  LYS  32           HZ1      LYS  32  -7.644  -2.505   0.965
  250    HZ2  LYS  32           HZ2      LYS  32  -7.270  -1.970   2.483
  251    HZ3  LYS  32           HZ3      LYS  32  -6.154  -1.840   1.159
  252    H    LYS  33           H        LYS  33  -8.651   3.716   5.544
  253    HA   LYS  33           HA       LYS  33  -8.854   6.441   5.207
  254    HB2  LYS  33           HB2      LYS  33 -10.136   6.454   7.163
  255    HB3  LYS  33           HB3      LYS  33 -10.142   4.727   6.806
  256    HG2  LYS  33           HG2      LYS  33  -8.428   4.311   8.279
  257    HG3  LYS  33           HG3      LYS  33  -8.201   6.031   8.630
  258    HD2  LYS  33           HD2      LYS  33 -10.589   6.102   9.466
  259    HD3  LYS  33           HD3      LYS  33 -10.648   4.348   9.322
  260    HE2  LYS  33           HE2      LYS  33  -8.853   4.133  10.970
  261    HE3  LYS  33           HE3      LYS  33  -8.717   5.886  11.068
  262    HZ1  LYS  33           HZ1      LYS  33 -10.984   5.961  11.956
  263    HZ2  LYS  33           HZ2      LYS  33  -9.996   5.003  12.924
  264    HZ3  LYS  33           HZ3      LYS  33 -11.091   4.282  11.886
  265    H    THR  34           H        THR  34  -6.522   4.445   7.087
  266    HA   THR  34           HA       THR  34  -5.240   6.582   8.327
  267    HB   THR  34           HB       THR  34  -4.052   3.889   7.625
  268    HG1  THR  34           HG1      THR  34  -5.925   3.507   8.789
  269   HG21  THR  34          HG21      THR  34  -3.462   5.865   9.847
  270   HG22  THR  34          HG22      THR  34  -2.456   5.607   8.419
  271   HG23  THR  34          HG23      THR  34  -2.658   4.313   9.598
  272    H    CYS  35           H        CYS  35  -4.662   4.821   5.280
  273    HA   CYS  35           HA       CYS  35  -2.505   6.429   4.868
  274    HB2  CYS  35           HB2      CYS  35  -3.691   4.338   3.256
  275    HB3  CYS  35           HB3      CYS  35  -2.858   5.588   2.287
  276    H    PHE  36           H        PHE  36  -5.749   7.086   3.930
  277    HA   PHE  36           HA       PHE  36  -5.047   9.334   2.345
  278    HB2  PHE  36           HB2      PHE  36  -7.451   9.217   4.179
  279    HB3  PHE  36           HB3      PHE  36  -7.278  10.156   2.713
  280    HD1  PHE  36           HD1      PHE  36  -6.228   7.826   0.966
  281    HD2  PHE  36           HD2      PHE  36  -9.456   8.171   3.714
  282    HE1  PHE  36           HE1      PHE  36  -7.439   6.042  -0.213
  283    HE2  PHE  36           HE2      PHE  36 -10.668   6.394   2.538
  284    HZ   PHE  36           HZ       PHE  36  -9.671   5.329   0.569
  285    H    LYS  37           H        LYS  37  -5.436   8.754   5.816
  286    HA   LYS  37           HA       LYS  37  -5.485  11.396   6.587
  287    HB2  LYS  37           HB2      LYS  37  -4.893   8.945   8.140
  288    HB3  LYS  37           HB3      LYS  37  -4.923  10.545   8.859
  289    HG2  LYS  37           HG2      LYS  37  -7.237  10.824   8.107
  290    HG3  LYS  37           HG3      LYS  37  -7.191   9.204   7.416
  291    HD2  LYS  37           HD2      LYS  37  -6.793   8.246   9.606
  292    HD3  LYS  37           HD3      LYS  37  -6.742   9.859  10.317
  293    HE2  LYS  37           HE2      LYS  37  -9.118   8.608   8.945
  294    HE3  LYS  37           HE3      LYS  37  -8.889   8.760  10.687
  295    HZ1  LYS  37           HZ1      LYS  37  -8.898  11.174  10.431
  296    HZ2  LYS  37           HZ2      LYS  37 -10.320  10.499   9.817
  297    HZ3  LYS  37           HZ3      LYS  37  -9.124  11.012   8.769
  298    H    THR  38           H        THR  38  -2.213   9.340   6.775
  299    HA   THR  38           HA       THR  38  -1.242  11.611   8.283
  300    HB   THR  38           HB       THR  38   0.660   9.864   6.967
  301    HG1  THR  38           HG1      THR  38  -1.336   8.633   8.590
  302   HG21  THR  38          HG21      THR  38  -0.217  10.148   9.849
  303   HG22  THR  38          HG22      THR  38   1.056  11.102   9.091
  304   HG23  THR  38          HG23      THR  38   1.257   9.360   9.286
  305    H    GLU  39           H        GLU  39   1.405  12.180   7.009
  306    HA   GLU  39           HA       GLU  39   0.849  12.947   4.299
  307    HB2  GLU  39           HB2      GLU  39   3.418  13.153   5.854
  308    HB3  GLU  39           HB3      GLU  39   3.336  13.474   4.138
  309    HG2  GLU  39           HG2      GLU  39   3.289  15.544   5.377
  310    HG3  GLU  39           HG3      GLU  39   1.749  15.297   4.563
  311    H    TYR  40           H        TYR  40   2.865  10.774   5.809
  312    HA   TYR  40           HA       TYR  40   4.010   9.781   3.492
  313    HB2  TYR  40           HB2      TYR  40   4.327   8.512   6.201
  314    HB3  TYR  40           HB3      TYR  40   5.266   8.240   4.725
  315    HD1  TYR  40           HD1      TYR  40   6.184  10.511   3.633
  316    HD2  TYR  40           HD2      TYR  40   5.350   9.847   7.744
  317    HE1  TYR  40           HE1      TYR  40   7.778  12.275   4.239
  318    HE2  TYR  40           HE2      TYR  40   6.933  11.611   8.353
  319    HH   TYR  40           HH       TYR  40   8.210  13.768   6.075
  320    H    CYS  41           H        CYS  41   1.275   8.853   5.087
  321    HA   CYS  41           HA       CYS  41   1.553   6.107   4.264
  322    HB2  CYS  41           HB2      CYS  41   0.232   6.994   6.255
  323    HB3  CYS  41           HB3      CYS  41  -1.023   7.415   5.094
  324    H    TYR  42           H        TYR  42   2.051   6.480   2.162
  325    HA   TYR  42           HA       TYR  42  -0.273   6.754   0.424
  326    HB2  TYR  42           HB2      TYR  42   1.415   7.742  -1.311
  327    HB3  TYR  42           HB3      TYR  42   0.766   8.790  -0.062
  328    HD1  TYR  42           HD1      TYR  42   3.627   6.363  -0.047
  329    HD2  TYR  42           HD2      TYR  42   2.369  10.386   0.448
  330    HE1  TYR  42           HE1      TYR  42   5.882   6.977   0.630
  331    HE2  TYR  42           HE2      TYR  42   4.650  11.025   1.134
  332    HH   TYR  42           HH       TYR  42   7.417   9.064   0.722
  333    H    ILE  43           H        ILE  43   1.592   4.542   1.636
  334    HA   ILE  43           HA       ILE  43   1.373   3.007  -0.767
  335    HB   ILE  43           HB       ILE  43   3.970   3.244   0.779
  336   HG12  ILE  43          HG12      ILE  43   3.103   3.640  -2.043
  337   HG13  ILE  43          HG13      ILE  43   4.173   4.595  -1.050
  338   HG21  ILE  43          HG21      ILE  43   3.245   0.888  -0.954
  339   HG22  ILE  43          HG22      ILE  43   3.506   0.866   0.791
  340   HG23  ILE  43          HG23      ILE  43   4.848   1.230  -0.300
  341   HD11  ILE  43          HD11      ILE  43   5.378   3.600  -2.868
  342   HD12  ILE  43          HD12      ILE  43   4.863   1.985  -2.367
  343   HD13  ILE  43          HD13      ILE  43   5.932   2.933  -1.333
  344    H    VAL  44           H        VAL  44   0.849   0.867  -0.372
  345    HA   VAL  44           HA       VAL  44   0.488   0.251   2.455
  346    HB   VAL  44           HB       VAL  44  -1.512  -0.429   0.426
  347   HG11  VAL  44          HG11      VAL  44  -1.782  -0.188   3.403
  348   HG12  VAL  44          HG12      VAL  44  -1.761  -1.663   2.439
  349   HG13  VAL  44          HG13      VAL  44  -3.126  -0.553   2.322
  350   HG21  VAL  44          HG21      VAL  44  -2.990   1.509   1.146
  351   HG22  VAL  44          HG22      VAL  44  -1.598   1.896   0.152
  352   HG23  VAL  44          HG23      VAL  44  -1.543   2.211   1.891
  353    H    PHE  45           H        PHE  45   0.585  -1.985   2.890
  354    HA   PHE  45           HA       PHE  45   1.160  -3.687   0.605
  355    HB2  PHE  45           HB2      PHE  45   2.572  -3.481   3.252
  356    HB3  PHE  45           HB3      PHE  45   2.541  -5.022   2.403
  357    HD1  PHE  45           HD1      PHE  45   3.429  -1.432   1.918
  358    HD2  PHE  45           HD2      PHE  45   4.130  -5.479   0.827
  359    HE1  PHE  45           HE1      PHE  45   5.304  -0.727   0.537
  360    HE2  PHE  45           HE2      PHE  45   6.031  -4.773  -0.554
  361    HZ   PHE  45           HZ       PHE  45   6.614  -2.360  -0.689
  362    H    GLU  46           H        GLU  46  -0.056  -5.478   0.591
  363    HA   GLU  46           HA       GLU  46  -1.747  -5.944   2.957
  364    HB2  GLU  46           HB2      GLU  46  -2.619  -6.143   0.056
  365    HB3  GLU  46           HB3      GLU  46  -3.645  -6.346   1.485
  366    HG2  GLU  46           HG2      GLU  46  -3.396  -4.027   2.068
  367    HG3  GLU  46           HG3      GLU  46  -2.197  -3.788   0.809
  368    H    ASP  47           H        ASP  47  -1.642  -7.989   3.689
  369    HA   ASP  47           HA       ASP  47  -0.119  -9.886   2.033
  370    HB2  ASP  47           HB2      ASP  47   0.688  -9.333   4.369
  371    HB3  ASP  47           HB3      ASP  47  -0.775 -10.131   4.973
  372    H    THR  48           H        THR  48  -1.114 -11.535   1.186
  373    HA   THR  48           HA       THR  48  -3.918 -11.877   1.845
  374    HB   THR  48           HB       THR  48  -2.353 -13.001  -0.485
  375    HG1  THR  48           HG1      THR  48  -3.970 -10.647  -0.189
  376   HG21  THR  48          HG21      THR  48  -5.316 -12.747   0.059
  377   HG22  THR  48          HG22      THR  48  -4.409 -14.250  -0.057
  378   HG23  THR  48          HG23      THR  48  -4.631 -13.233  -1.490
  379    H    VAL  49           H        VAL  49  -0.925 -13.461   2.392
  380    HA   VAL  49           HA       VAL  49  -2.022 -16.141   2.567
  381    HB   VAL  49           HB       VAL  49   0.691 -15.082   3.433
  382   HG11  VAL  49          HG11      VAL  49  -0.237 -17.911   2.983
  383   HG12  VAL  49          HG12      VAL  49   0.131 -17.173   4.541
  384   HG13  VAL  49          HG13      VAL  49   1.416 -17.425   3.357
  385   HG21  VAL  49          HG21      VAL  49  -0.099 -16.468   0.870
  386   HG22  VAL  49          HG22      VAL  49   1.543 -16.031   1.337
  387   HG23  VAL  49          HG23      VAL  49   0.344 -14.771   1.040
  388    H    ASN  50           H        ASN  50  -0.813 -13.685   4.647
  389    HA   ASN  50           HA       ASN  50  -1.529 -15.030   7.116
  390    HB2  ASN  50           HB2      ASN  50  -0.325 -12.363   6.451
  391    HB3  ASN  50           HB3      ASN  50  -0.617 -12.835   8.109
  392   HD21  ASN  50          HD21      ASN  50   1.310 -13.237   5.280
  393   HD22  ASN  50          HD22      ASN  50   2.523 -14.262   5.971
  394    H    LYS  51           H        LYS  51  -2.958 -13.020   4.853
  395    HA   LYS  51           HA       LYS  51  -4.573 -11.511   4.769
  396    HB2  LYS  51           HB2      LYS  51  -5.774 -13.355   6.840
  397    HB3  LYS  51           HB3      LYS  51  -6.678 -12.098   6.005
  398    HG2  LYS  51           HG2      LYS  51  -6.265 -13.176   3.871
  399    HG3  LYS  51           HG3      LYS  51  -5.281 -14.405   4.664
  400    HD2  LYS  51           HD2      LYS  51  -7.168 -15.141   5.926
  401    HD3  LYS  51           HD3      LYS  51  -8.196 -13.890   5.208
  402    HE2  LYS  51           HE2      LYS  51  -7.846 -14.918   2.986
  403    HE3  LYS  51           HE3      LYS  51  -6.830 -16.151   3.724
  404    HZ1  LYS  51           HZ1      LYS  51  -9.031 -17.049   3.405
  405    HZ2  LYS  51           HZ2      LYS  51  -9.746 -15.765   4.231
  406    HZ3  LYS  51           HZ3      LYS  51  -8.762 -16.866   5.032
  407    H    GLU  52           H        GLU  52  -2.995 -10.085   5.580
  408    HA   GLU  52           HA       GLU  52  -3.895  -8.719   7.991
  409    HB2  GLU  52           HB2      GLU  52  -1.030  -9.413   7.326
  410    HB3  GLU  52           HB3      GLU  52  -1.457  -8.247   8.552
  411    HG2  GLU  52           HG2      GLU  52  -2.787 -10.147   9.608
  412    HG3  GLU  52           HG3      GLU  52  -1.854 -11.199   8.547
  413    H    CYS  53           H        CYS  53  -3.009  -6.375   8.017
  414    HA   CYS  53           HA       CYS  53  -2.668  -5.473   5.278
  415    HB2  CYS  53           HB2      CYS  53  -5.049  -5.205   5.960
  416    HB3  CYS  53           HB3      CYS  53  -4.502  -4.283   7.369
  417    H    TYR  54           H        TYR  54  -0.918  -4.202   5.168
  418    HA   TYR  54           HA       TYR  54   0.048  -3.008   7.667
  419    HB2  TYR  54           HB2      TYR  54   1.565  -4.126   5.292
  420    HB3  TYR  54           HB3      TYR  54   2.296  -3.182   6.568
  421    HD1  TYR  54           HD1      TYR  54   0.162  -6.273   6.291
  422    HD2  TYR  54           HD2      TYR  54   3.519  -4.380   8.082
  423    HE1  TYR  54           HE1      TYR  54   0.703  -8.360   7.478
  424    HE2  TYR  54           HE2      TYR  54   4.062  -6.457   9.270
  425    HH   TYR  54           HH       TYR  54   2.600  -9.451   8.530
  426    H    TYR  55           H        TYR  55   0.094  -0.926   7.458
  427    HA   TYR  55           HA       TYR  55   0.158   0.096   4.725
  428    HB2  TYR  55           HB2      TYR  55  -1.076   2.245   5.609
  429    HB3  TYR  55           HB3      TYR  55  -1.942   0.761   5.402
  430    HD1  TYR  55           HD1      TYR  55  -0.233   2.689   8.096
  431    HD2  TYR  55           HD2      TYR  55  -3.255  -0.101   7.069
  432    HE1  TYR  55           HE1      TYR  55  -1.109   2.785  10.396
  433    HE2  TYR  55           HE2      TYR  55  -4.140  -0.023   9.357
  434    HH   TYR  55           HH       TYR  55  -3.555   0.602  11.516
  435    H    ASN  56           H        ASN  56   1.530   1.515   3.995
  436    HA   ASN  56           HA       ASN  56   3.983   1.825   5.548
  437    HB2  ASN  56           HB2      ASN  56   4.267   1.454   3.187
  438    HB3  ASN  56           HB3      ASN  56   3.138   2.755   2.797
  439   HD21  ASN  56          HD21      ASN  56   3.845   4.851   2.904
  440   HD22  ASN  56          HD22      ASN  56   5.534   5.256   3.076
  441    H    VAL  57           H        VAL  57   4.373   3.155   6.936
  442    HA   VAL  57           HA       VAL  57   2.672   5.588   6.950
  443    HB   VAL  57           HB       VAL  57   2.875   5.738   9.406
  444   HG11  VAL  57          HG11      VAL  57   1.807   3.117   8.423
  445   HG12  VAL  57          HG12      VAL  57   0.949   4.661   8.435
  446   HG13  VAL  57          HG13      VAL  57   1.393   3.885   9.956
  447   HG21  VAL  57          HG21      VAL  57   4.980   4.567   9.748
  448   HG22  VAL  57          HG22      VAL  57   4.251   3.058   9.199
  449   HG23  VAL  57          HG23      VAL  57   3.698   3.809  10.694
  450    H    VAL  58           H        VAL  58   5.690   4.755   6.373
  451    HA   VAL  58           HA       VAL  58   6.666   7.456   7.128
  452    HB   VAL  58           HB       VAL  58   8.520   5.051   6.887
  453   HG11  VAL  58          HG11      VAL  58   9.961   6.400   8.418
  454   HG12  VAL  58          HG12      VAL  58   8.847   7.751   8.201
  455   HG13  VAL  58          HG13      VAL  58   9.744   7.097   6.829
  456   HG21  VAL  58          HG21      VAL  58   7.025   4.415   8.647
  457   HG22  VAL  58          HG22      VAL  58   7.190   6.002   9.404
  458   HG23  VAL  58          HG23      VAL  58   8.569   4.915   9.358
  459    H    ASP  59           H        ASP  59   8.856   7.549   5.579
  460    HA   ASP  59           HA       ASP  59   7.829   8.105   3.139
  461    HB2  ASP  59           HB2      ASP  59  10.154   8.279   2.293
  462    HB3  ASP  59           HB3      ASP  59   9.976   9.050   3.859
  463    H    GLY  60           H        GLY  60   7.265   7.008   1.658
  464    HA2  GLY  60           HA2      GLY  60   7.978   4.158   1.407
  465    HA3  GLY  60           HA3      GLY  60   6.302   4.664   1.353
  466    H    GLU  61           H        GLU  61   7.280   7.110  -0.352
  467    HA   GLU  61           HA       GLU  61   6.799   5.832  -2.896
  468    HB2  GLU  61           HB2      GLU  61   7.792   8.613  -2.270
  469    HB3  GLU  61           HB3      GLU  61   7.405   8.039  -3.880
  470    HG2  GLU  61           HG2      GLU  61   5.094   7.627  -3.071
  471    HG3  GLU  61           HG3      GLU  61   5.549   8.458  -1.581
  472    H    GLU  62           H        GLU  62   9.247   6.566  -0.940
  473    HA   GLU  62           HA       GLU  62  11.515   6.545  -2.521
  474    HB2  GLU  62           HB2      GLU  62  10.973   5.869   0.376
  475    HB3  GLU  62           HB3      GLU  62  12.581   6.058  -0.302
  476    HG2  GLU  62           HG2      GLU  62  11.747   8.068   0.971
  477    HG3  GLU  62           HG3      GLU  62  12.257   8.402  -0.670
  478    H    LEU  63           H        LEU  63   9.269   4.092  -1.563
  479    HA   LEU  63           HA       LEU  63  11.051   1.894  -2.250
  480    HB2  LEU  63           HB2      LEU  63   8.087   2.043  -1.611
  481    HB3  LEU  63           HB3      LEU  63   8.884   0.571  -2.138
  482    HG   LEU  63           HG       LEU  63   9.672   2.062   0.351
  483   HD11  LEU  63          HD11      LEU  63   7.770  -0.267   0.006
  484   HD12  LEU  63          HD12      LEU  63   7.340   1.360   0.538
  485   HD13  LEU  63          HD13      LEU  63   8.358   0.350   1.548
  486   HD21  LEU  63          HD21      LEU  63  10.725  -0.133   0.884
  487   HD22  LEU  63          HD22      LEU  63  11.375   0.588  -0.587
  488   HD23  LEU  63          HD23      LEU  63  10.209  -0.723  -0.686
  489    H    ASP  64           H        ASP  64  11.556   1.789  -4.361
  490    HA   ASP  64           HA       ASP  64   9.552   2.860  -6.154
  491    HB2  ASP  64           HB2      ASP  64  11.856   3.764  -6.265
  492    HB3  ASP  64           HB3      ASP  64  12.402   2.192  -6.826
  493    H    GLN  65           H        GLN  65   8.630   1.875  -7.606
  494    HA   GLN  65           HA       GLN  65   7.622  -0.648  -7.172
  495    HB2  GLN  65           HB2      GLN  65   6.574   1.269  -8.267
  496    HB3  GLN  65           HB3      GLN  65   7.621   1.007  -9.653
  497    HG2  GLN  65           HG2      GLN  65   6.541  -1.161  -9.979
  498    HG3  GLN  65           HG3      GLN  65   5.425  -0.760  -8.666
  499   HE21  GLN  65          HE21      GLN  65   6.459   0.022 -11.863
  500   HE22  GLN  65          HE22      GLN  65   5.073   0.981 -12.299
  501    H    GLU  66           H        GLU  66  10.004   0.284  -9.698
  502    HA   GLU  66           HA       GLU  66   9.945  -2.387 -10.800
  503    HB2  GLU  66           HB2      GLU  66  11.952  -0.222 -11.444
  504    HB3  GLU  66           HB3      GLU  66  11.719  -1.714 -12.331
  505    HG2  GLU  66           HG2      GLU  66  10.618  -0.152 -13.638
  506    HG3  GLU  66           HG3      GLU  66   9.330  -0.869 -12.650
  507    H    LYS  67           H        LYS  67  11.624  -0.907  -8.302
  508    HA   LYS  67           HA       LYS  67  13.861  -2.716  -8.527
  509    HB2  LYS  67           HB2      LYS  67  13.370  -0.388  -6.647
  510    HB3  LYS  67           HB3      LYS  67  14.807  -1.400  -6.609
  511    HG2  LYS  67           HG2      LYS  67  15.402   0.573  -7.809
  512    HG3  LYS  67           HG3      LYS  67  15.246  -0.708  -9.003
  513    HD2  LYS  67           HD2      LYS  67  12.876   0.164  -9.418
  514    HD3  LYS  67           HD3      LYS  67  13.315   1.534  -8.417
  515    HE2  LYS  67           HE2      LYS  67  15.193   2.024  -9.955
  516    HE3  LYS  67           HE3      LYS  67  14.628   0.689 -10.967
  517    HZ1  LYS  67           HZ1      LYS  67  12.978   3.037 -10.266
  518    HZ2  LYS  67           HZ2      LYS  67  12.557   1.889 -11.402
  519    HZ3  LYS  67           HZ3      LYS  67  13.827   2.943 -11.710
  520    H    PHE  68           H        PHE  68  11.000  -3.156  -7.687
  521    HA   PHE  68           HA       PHE  68  11.387  -4.599  -5.240
  522    HB2  PHE  68           HB2      PHE  68   9.010  -3.909  -6.904
  523    HB3  PHE  68           HB3      PHE  68   8.925  -5.407  -5.953
  524    HD1  PHE  68           HD1      PHE  68  10.382  -2.043  -5.251
  525    HD2  PHE  68           HD2      PHE  68   7.543  -5.030  -4.014
  526    HE1  PHE  68           HE1      PHE  68   9.885  -0.791  -3.210
  527    HE2  PHE  68           HE2      PHE  68   7.085  -3.787  -2.057
  528    HZ   PHE  68           HZ       PHE  68   8.232  -1.704  -1.576
  529    H    VAL  69           H        VAL  69  11.177  -6.788  -5.038
  530    HA   VAL  69           HA       VAL  69  11.855  -8.457  -7.378
  531    HB   VAL  69           HB       VAL  69  12.622  -8.835  -4.441
  532   HG11  VAL  69          HG11      VAL  69  14.229 -10.471  -5.262
  533   HG12  VAL  69          HG12      VAL  69  13.658 -10.202  -6.909
  534   HG13  VAL  69          HG13      VAL  69  12.574 -10.898  -5.703
  535   HG21  VAL  69          HG21      VAL  69  14.382  -7.742  -6.632
  536   HG22  VAL  69          HG22      VAL  69  14.918  -8.164  -5.005
  537   HG23  VAL  69          HG23      VAL  69  13.768  -6.847  -5.243
  538    H    VAL  70           H        VAL  70  10.864 -10.798  -6.736
  539    HA   VAL  70           HA       VAL  70   8.299  -9.977  -5.623
  540    HB   VAL  70           HB       VAL  70   9.047 -12.447  -7.027
  541   HG11  VAL  70          HG11      VAL  70   6.307 -11.442  -6.209
  542   HG12  VAL  70          HG12      VAL  70   7.120 -12.889  -5.612
  543   HG13  VAL  70          HG13      VAL  70   6.552 -12.823  -7.280
  544   HG21  VAL  70          HG21      VAL  70   7.533 -10.058  -8.055
  545   HG22  VAL  70          HG22      VAL  70   7.773 -11.544  -8.963
  546   HG23  VAL  70          HG23      VAL  70   9.159 -10.542  -8.520
  547    H    ASP  71           H        ASP  71   8.014 -10.188  -3.498
  548    HA   ASP  71           HA       ASP  71   8.371 -12.844  -2.315
  549    HB2  ASP  71           HB2      ASP  71   9.648 -10.803  -1.234
  550    HB3  ASP  71           HB3      ASP  71   8.030 -10.182  -0.931
  551    H    GLU  72           H        GLU  72   6.552 -13.616  -2.984
  552    HA   GLU  72           HA       GLU  72   4.356 -12.023  -3.855
  553    HB2  GLU  72           HB2      GLU  72   3.480 -14.175  -4.689
  554    HB3  GLU  72           HB3      GLU  72   5.113 -13.796  -5.216
  555    HG2  GLU  72           HG2      GLU  72   5.930 -15.266  -3.325
  556    HG3  GLU  72           HG3      GLU  72   4.257 -15.777  -3.138
  557    H    ASN  73           H        ASN  73   4.846 -12.956  -0.826
  558    HA   ASN  73           HA       ASN  73   2.196 -13.870  -0.178
  559    HB2  ASN  73           HB2      ASN  73   2.897 -13.354   2.230
  560    HB3  ASN  73           HB3      ASN  73   3.875 -14.540   1.377
  561   HD21  ASN  73          HD21      ASN  73   5.623 -14.180   2.727
  562   HD22  ASN  73          HD22      ASN  73   6.587 -12.736   2.596
  563    H    PHE  74           H        PHE  74   3.581 -10.862  -0.750
  564    HA   PHE  74           HA       PHE  74   1.296  -9.457   0.429
  565    HB2  PHE  74           HB2      PHE  74   4.142  -8.581   0.178
  566    HB3  PHE  74           HB3      PHE  74   2.866  -7.397   0.131
  567    HD1  PHE  74           HD1      PHE  74   1.530  -6.917   2.042
  568    HD2  PHE  74           HD2      PHE  74   4.688  -9.747   2.308
  569    HE1  PHE  74           HE1      PHE  74   1.477  -6.758   4.480
  570    HE2  PHE  74           HE2      PHE  74   4.639  -9.583   4.738
  571    HZ   PHE  74           HZ       PHE  74   3.025  -8.088   5.834
  572    H    THR  75           H        THR  75   0.948  -7.428  -0.493
  573    HA   THR  75           HA       THR  75   0.552  -7.246  -3.450
  574    HB   THR  75           HB       THR  75  -0.763  -6.628  -0.899
  575    HG1  THR  75           HG1      THR  75  -1.531  -8.480  -1.381
  576   HG21  THR  75          HG21      THR  75  -1.010  -4.646  -2.288
  577   HG22  THR  75          HG22      THR  75  -2.563  -5.458  -2.063
  578   HG23  THR  75          HG23      THR  75  -1.693  -5.662  -3.570
  579    H    GLU  76           H        GLU  76   1.711  -5.337  -4.331
  580    HA   GLU  76           HA       GLU  76   2.259  -3.473  -2.257
  581    HB2  GLU  76           HB2      GLU  76   4.337  -2.773  -3.540
  582    HB3  GLU  76           HB3      GLU  76   4.396  -4.304  -2.697
  583    HG2  GLU  76           HG2      GLU  76   5.471  -4.676  -4.680
  584    HG3  GLU  76           HG3      GLU  76   3.886  -5.390  -4.937
  585    H    ASN  77           H        ASN  77   1.538  -1.559  -2.458
  586    HA   ASN  77           HA       ASN  77   0.836  -0.777  -5.182
  587    HB2  ASN  77           HB2      ASN  77  -1.484  -0.159  -4.427
  588    HB3  ASN  77           HB3      ASN  77  -1.008  -1.807  -4.089
  589   HD21  ASN  77          HD21      ASN  77  -1.228  -2.621  -2.285
  590   HD22  ASN  77          HD22      ASN  77  -1.493  -1.772  -0.788
  591    H    TYR  78           H        TYR  78   0.746   1.490  -5.521
  592    HA   TYR  78           HA       TYR  78   1.923   3.128  -3.418
  593    HB2  TYR  78           HB2      TYR  78   3.785   2.567  -4.618
  594    HB3  TYR  78           HB3      TYR  78   2.995   2.571  -6.213
  595    HD1  TYR  78           HD1      TYR  78   2.189   5.543  -6.135
  596    HD2  TYR  78           HD2      TYR  78   5.703   3.541  -4.831
  597    HE1  TYR  78           HE1      TYR  78   3.508   7.585  -6.491
  598    HE2  TYR  78           HE2      TYR  78   7.004   5.570  -5.184
  599    HH   TYR  78           HH       TYR  78   5.614   8.578  -5.606
  600    H    LEU  79           H        LEU  79   1.160   5.089  -3.350
  601    HA   LEU  79           HA       LEU  79  -0.951   5.799  -5.285
  602    HB2  LEU  79           HB2      LEU  79  -2.111   5.250  -3.312
  603    HB3  LEU  79           HB3      LEU  79  -0.971   6.118  -2.304
  604    HG   LEU  79           HG       LEU  79  -1.795   8.253  -3.252
  605   HD11  LEU  79          HD11      LEU  79  -3.920   8.317  -4.461
  606   HD12  LEU  79          HD12      LEU  79  -3.819   6.566  -4.679
  607   HD13  LEU  79          HD13      LEU  79  -2.583   7.621  -5.361
  608   HD21  LEU  79          HD21      LEU  79  -2.720   7.451  -1.136
  609   HD22  LEU  79          HD22      LEU  79  -3.945   6.535  -2.021
  610   HD23  LEU  79          HD23      LEU  79  -3.953   8.293  -2.082
  611    H    THR  80           H        THR  80  -0.281   7.356  -6.481
  612    HA   THR  80           HA       THR  80   0.400   9.774  -5.091
  613    HB   THR  80           HB       THR  80   2.521   9.134  -6.072
  614    HG1  THR  80           HG1      THR  80   1.558  11.404  -6.287
  615   HG21  THR  80          HG21      THR  80   1.746   7.686  -7.912
  616   HG22  THR  80          HG22      THR  80   2.859   8.918  -8.514
  617   HG23  THR  80          HG23      THR  80   1.123   9.101  -8.761
  618    H    ASP  81           H        ASP  81  -1.477  10.820  -5.180
  619    HA   ASP  81           HA       ASP  81  -2.964  12.177  -5.957
  620    HB2  ASP  81           HB2      ASP  81  -1.178  13.315  -7.052
  621    HB3  ASP  81           HB3      ASP  81  -1.286  12.242  -8.447
  622    H    CYS  82           H        CYS  82  -4.563  10.841  -5.844
  623    HA   CYS  82           HA       CYS  82  -5.819  10.502  -8.414
  624    HB2  CYS  82           HB2      CYS  82  -4.913   8.238  -7.225
  625    HB3  CYS  82           HB3      CYS  82  -6.430   8.426  -6.342
  626    H    GLU  83           H        GLU  83  -6.234  10.002  -4.965
  627    HA   GLU  83           HA       GLU  83  -7.682  10.791  -3.466
  628    HB2  GLU  83           HB2      GLU  83  -6.715  13.362  -4.690
  629    HB3  GLU  83           HB3      GLU  83  -7.374  13.175  -3.069
  630    HG2  GLU  83           HG2      GLU  83  -5.549  11.686  -2.474
  631    HG3  GLU  83           HG3      GLU  83  -4.895  11.825  -4.102
  632    H    GLY  84           H        GLY  84  -9.546   9.956  -4.362
  633    HA2  GLY  84           HA2      GLY  84 -11.816  11.229  -4.197
  634    HA3  GLY  84           HA3      GLY  84 -11.287  11.879  -5.742
  635    H    LYS  85           H        LYS  85 -10.936   8.620  -4.421
  636    HA   LYS  85           HA       LYS  85 -12.045   7.488  -6.785
  637    HB2  LYS  85           HB2      LYS  85 -10.270   6.442  -5.328
  638    HB3  LYS  85           HB3      LYS  85 -11.530   6.123  -4.138
  639    HG2  LYS  85           HG2      LYS  85 -11.561   4.978  -6.941
  640    HG3  LYS  85           HG3      LYS  85 -10.771   4.207  -5.563
  641    HD2  LYS  85           HD2      LYS  85 -12.909   4.091  -4.387
  642    HD3  LYS  85           HD3      LYS  85 -13.708   4.880  -5.746
  643    HE2  LYS  85           HE2      LYS  85 -14.037   2.449  -5.761
  644    HE3  LYS  85           HE3      LYS  85 -13.161   3.000  -7.184
  645    HZ1  LYS  85           HZ1      LYS  85 -12.241   0.990  -6.255
  646    HZ2  LYS  85           HZ2      LYS  85 -11.879   1.709  -4.787
  647    HZ3  LYS  85           HZ3      LYS  85 -11.094   2.214  -6.187
  648    H    ASP  86           H        ASP  86 -13.807   8.448  -6.928
  649    HA   ASP  86           HA       ASP  86 -16.243   7.426  -5.834
  650    HB2  ASP  86           HB2      ASP  86 -15.726   9.244  -4.192
  651    HB3  ASP  86           HB3      ASP  86 -15.471  10.361  -5.527
  652    H    ALA  87           H        ALA  87 -14.630  10.122  -7.418
  653    HA   ALA  87           HA       ALA  87 -16.265  10.027  -9.766
  654    HB1  ALA  87           HB1      ALA  87 -14.548  11.577 -10.689
  655    HB2  ALA  87           HB2      ALA  87 -13.565  11.319  -9.250
  656    HB3  ALA  87           HB3      ALA  87 -15.128  12.120  -9.113
  657    H    GLY  88           H        GLY  88 -12.938   9.159  -8.891
  658    HA2  GLY  88           HA2      GLY  88 -12.563   7.511 -11.207
  659    HA3  GLY  88           HA3      GLY  88 -11.484   7.635  -9.812
  660    H    ASN  89           H        ASN  89 -12.603   5.274 -11.256
  661    HA   ASN  89           HA       ASN  89 -14.136   4.074  -9.025
  662    HB2  ASN  89           HB2      ASN  89 -15.294   2.654 -10.579
  663    HB3  ASN  89           HB3      ASN  89 -15.386   4.297 -11.195
  664   HD21  ASN  89          HD21      ASN  89 -14.255   4.825 -13.098
  665   HD22  ASN  89          HD22      ASN  89 -13.607   3.596 -14.136
  666    H    ALA  90           H        ALA  90 -11.142   4.081 -10.321
  667    HA   ALA  90           HA       ALA  90 -10.605   1.334 -10.665
  668    HB1  ALA  90           HB1      ALA  90  -8.669   3.568 -10.087
  669    HB2  ALA  90           HB2      ALA  90  -9.223   3.069 -11.686
  670    HB3  ALA  90           HB3      ALA  90  -8.255   1.969 -10.703
  671    H    ALA  91           H        ALA  91 -10.036  -0.185  -9.325
  672    HA   ALA  91           HA       ALA  91  -9.784   0.385  -6.480
  673    HB1  ALA  91           HB1      ALA  91 -11.323  -1.408  -7.150
  674    HB2  ALA  91           HB2      ALA  91  -9.961  -2.079  -6.252
  675    HB3  ALA  91           HB3      ALA  91 -10.014  -2.222  -8.007
  676    H    GLY  92           H        GLY  92  -7.824   0.218  -5.479
  677    HA2  GLY  92           HA2      GLY  92  -5.580  -0.259  -7.369
  678    HA3  GLY  92           HA3      GLY  92  -5.544   0.973  -6.129
  679    H    THR  93           H        THR  93  -6.813  -2.103  -5.190
  680    HA   THR  93           HA       THR  93  -4.336  -2.513  -3.679
  681    HB   THR  93           HB       THR  93  -5.719  -3.822  -2.133
  682    HG1  THR  93           HG1      THR  93  -8.063  -3.665  -2.556
  683   HG21  THR  93          HG21      THR  93  -7.063  -1.229  -2.873
  684   HG22  THR  93          HG22      THR  93  -5.663  -1.400  -1.817
  685   HG23  THR  93          HG23      THR  93  -7.218  -2.073  -1.328
  686    H    GLY  94           H        GLY  94  -3.272  -4.700  -3.780
  687    HA2  GLY  94           HA2      GLY  94  -4.325  -6.289  -5.948
  688    HA3  GLY  94           HA3      GLY  94  -2.845  -6.582  -5.041
  689    H    ASP  95           H        ASP  95  -5.104  -5.896  -2.766
  690    HA   ASP  95           HA       ASP  95  -5.482  -8.742  -2.359
  691    HB2  ASP  95           HB2      ASP  95  -4.343  -7.524  -0.558
  692    HB3  ASP  95           HB3      ASP  95  -5.809  -6.581  -0.291
  693    H    GLU  96           H        GLU  96  -7.612  -5.949  -1.398
  694    HA   GLU  96           HA       GLU  96  -9.701  -7.927  -1.762
  695    HB2  GLU  96           HB2      GLU  96 -10.947  -7.044  -0.045
  696    HB3  GLU  96           HB3      GLU  96  -9.341  -6.602   0.469
  697    HG2  GLU  96           HG2      GLU  96 -11.333  -4.771  -0.866
  698    HG3  GLU  96           HG3      GLU  96 -11.007  -4.843   0.855
  699    H    SER  97           H        SER  97  -8.564  -6.035  -3.899
  700    HA   SER  97           HA       SER  97 -10.738  -4.511  -4.839
  701    HB2  SER  97           HB2      SER  97  -8.435  -5.753  -6.350
  702    HB3  SER  97           HB3      SER  97  -9.626  -4.693  -7.100
  703    HG   SER  97           HG       SER  97  -8.119  -3.940  -4.809
  704    H    ASP  98           H        ASP  98 -12.664  -5.347  -5.048
  705    HA   ASP  98           HA       ASP  98 -13.037  -7.602  -6.867
  706    HB2  ASP  98           HB2      ASP  98 -14.883  -8.445  -5.511
  707    HB3  ASP  98           HB3      ASP  98 -13.419  -8.411  -4.546
  708    H    GLU  99           H        GLU  99 -15.556  -7.589  -7.364
  709    HA   GLU  99           HA       GLU  99 -16.182  -4.788  -7.948
  710    HB2  GLU  99           HB2      GLU  99 -16.797  -7.201  -9.647
  711    HB3  GLU  99           HB3      GLU  99 -17.278  -5.550 -10.013
  712    HG2  GLU  99           HG2      GLU  99 -14.881  -4.922 -10.091
  713    HG3  GLU  99           HG3      GLU  99 -14.469  -6.619  -9.858
  714    H    VAL 100           H        VAL 100 -17.588  -7.980  -7.286
  715    HA   VAL 100           HA       VAL 100 -19.894  -6.543  -6.319
  716    HB   VAL 100           HB       VAL 100 -21.343  -8.559  -6.984
  717   HG11  VAL 100          HG11      VAL 100 -20.125  -6.848  -9.152
  718   HG12  VAL 100          HG12      VAL 100 -21.464  -6.388  -8.099
  719   HG13  VAL 100          HG13      VAL 100 -21.665  -7.704  -9.257
  720   HG21  VAL 100          HG21      VAL 100 -20.564  -9.870  -8.899
  721   HG22  VAL 100          HG22      VAL 100 -19.510 -10.118  -7.507
  722   HG23  VAL 100          HG23      VAL 100 -18.994  -9.064  -8.825
  723    H    ASP 101           H        ASP 101 -18.612  -6.633  -4.433
  724    HA   ASP 101           HA       ASP 101 -18.439  -7.092  -2.280
  725    HB2  ASP 101           HB2      ASP 101 -20.876  -7.100  -2.393
  726    HB3  ASP 101           HB3      ASP 101 -20.862  -8.838  -2.677
  727    H    GLU 102           H        GLU 102 -16.554  -8.025  -2.083
  728    HA   GLU 102           HA       GLU 102 -15.040  -9.486  -1.253
  729    HB2  GLU 102           HB2      GLU 102 -16.819 -10.122   0.358
  730    HB3  GLU 102           HB3      GLU 102 -17.393 -11.346  -0.758
  731    HG2  GLU 102           HG2      GLU 102 -15.269 -12.549  -0.515
  732    HG3  GLU 102           HG3      GLU 102 -14.693 -11.314   0.593
  733    H    ASP 103           H        ASP 103 -16.472  -9.874  -4.043
  734    HA   ASP 103           HA       ASP 103 -16.101 -10.955  -5.956
  735    HB2  ASP 103           HB2      ASP 103 -13.721 -10.440  -5.685
  736    HB3  ASP 103           HB3      ASP 103 -13.503 -11.858  -4.669
  Start of MODEL    7
    1    H1   GLU   1           H1       GLU   1 -14.677  10.593   6.388
    2    H2   GLU   1           H2       GLU   1 -14.071   8.992   6.315
    3    H3   GLU   1           H3       GLU   1 -15.707   9.270   6.520
    4    HA   GLU   1           HA       GLU   1 -15.984  10.149   4.395
    5    HB2  GLU   1           HB2      GLU   1 -12.976   9.865   4.151
    6    HB3  GLU   1           HB3      GLU   1 -14.035  10.133   2.778
    7    HG2  GLU   1           HG2      GLU   1 -13.064  12.217   3.355
    8    HG3  GLU   1           HG3      GLU   1 -14.748  12.271   3.852
    9    H    GLU   2           H        GLU   2 -16.855   8.643   3.054
   10    HA   GLU   2           HA       GLU   2 -15.760   5.961   3.393
   11    HB2  GLU   2           HB2      GLU   2 -18.206   6.239   3.888
   12    HB3  GLU   2           HB3      GLU   2 -18.457   6.668   2.202
   13    HG2  GLU   2           HG2      GLU   2 -17.674   4.480   1.498
   14    HG3  GLU   2           HG3      GLU   2 -17.341   4.041   3.168
   15    H    ARG   3           H        ARG   3 -14.123   7.033   2.123
   16    HA   ARG   3           HA       ARG   3 -14.231   6.075  -0.562
   17    HB2  ARG   3           HB2      ARG   3 -13.856   8.964   0.160
   18    HB3  ARG   3           HB3      ARG   3 -12.930   8.286  -1.171
   19    HG2  ARG   3           HG2      ARG   3 -14.952   7.689  -2.325
   20    HG3  ARG   3           HG3      ARG   3 -15.919   8.217  -0.950
   21    HD2  ARG   3           HD2      ARG   3 -15.353  10.460  -1.287
   22    HD3  ARG   3           HD3      ARG   3 -14.044  10.059  -2.411
   23    HE   ARG   3           HE       ARG   3 -16.733   9.274  -3.166
   24   HH11  ARG   3          HH11      ARG   3 -14.211  11.707  -3.469
   25   HH12  ARG   3          HH12      ARG   3 -14.610  12.189  -5.043
   26   HH21  ARG   3          HH21      ARG   3 -17.393   9.968  -5.315
   27   HH22  ARG   3          HH22      ARG   3 -16.517  11.197  -6.110
   28    H    GLU   4           H        GLU   4 -12.043   5.899  -1.333
   29    HA   GLU   4           HA       GLU   4 -10.227   5.751   0.934
   30    HB2  GLU   4           HB2      GLU   4  -9.959   3.767  -1.354
   31    HB3  GLU   4           HB3      GLU   4  -9.331   3.777   0.222
   32    HG2  GLU   4           HG2      GLU   4 -10.992   2.046   0.055
   33    HG3  GLU   4           HG3      GLU   4 -11.464   3.243   1.261
   34    H    ASP   5           H        ASP   5  -7.972   5.903   0.236
   35    HA   ASP   5           HA       ASP   5  -7.715   7.593  -2.067
   36    HB2  ASP   5           HB2      ASP   5  -5.723   6.551  -0.051
   37    HB3  ASP   5           HB3      ASP   5  -5.092   6.995  -1.629
   38    H    CYS   6           H        CYS   6  -6.807   6.888  -4.114
   39    HA   CYS   6           HA       CYS   6  -7.288   4.083  -4.536
   40    HB2  CYS   6           HB2      CYS   6  -6.535   4.677  -6.822
   41    HB3  CYS   6           HB3      CYS   6  -8.164   5.232  -6.325
   42    H    TRP   7           H        TRP   7  -5.860   2.554  -4.582
   43    HA   TRP   7           HA       TRP   7  -3.071   3.351  -4.786
   44    HB2  TRP   7           HB2      TRP   7  -3.990   0.583  -3.858
   45    HB3  TRP   7           HB3      TRP   7  -2.488   1.427  -3.522
   46    HD1  TRP   7           HD1      TRP   7  -4.201   4.125  -2.663
   47    HE1  TRP   7           HE1      TRP   7  -5.232   4.168  -0.311
   48    HE3  TRP   7           HE3      TRP   7  -4.056  -0.847  -1.698
   49    HZ2  TRP   7           HZ2      TRP   7  -5.920   2.329   1.655
   50    HZ3  TRP   7           HZ3      TRP   7  -4.902  -1.656   0.467
   51    HH2  TRP   7           HH2      TRP   7  -5.807  -0.088   2.129
   52    H    THR   8           H        THR   8  -1.810   2.406  -6.333
   53    HA   THR   8           HA       THR   8  -3.271   1.224  -8.548
   54    HB   THR   8           HB       THR   8  -0.534   2.461  -8.375
   55    HG1  THR   8           HG1      THR   8  -2.925   3.575  -9.422
   56   HG21  THR   8          HG21      THR   8  -0.741   2.617 -10.852
   57   HG22  THR   8          HG22      THR   8  -2.258   1.721 -10.759
   58   HG23  THR   8          HG23      THR   8  -0.750   0.951 -10.274
   59    H    PHE   9           H        PHE   9  -2.981  -0.899  -8.851
   60    HA   PHE   9           HA       PHE   9  -0.906  -2.204  -7.371
   61    HB2  PHE   9           HB2      PHE   9  -3.376  -3.038  -7.733
   62    HB3  PHE   9           HB3      PHE   9  -2.668  -3.730  -9.218
   63    HD1  PHE   9           HD1      PHE   9  -2.375  -3.463  -5.714
   64    HD2  PHE   9           HD2      PHE   9  -1.246  -5.620  -9.106
   65    HE1  PHE   9           HE1      PHE   9  -1.222  -5.082  -4.242
   66    HE2  PHE   9           HE2      PHE   9  -0.099  -7.285  -7.704
   67    HZ   PHE   9           HZ       PHE   9  -0.064  -6.985  -5.234
   68    H    TYR  10           H        TYR  10   0.960  -2.756  -8.148
   69    HA   TYR  10           HA       TYR  10   1.350  -2.701 -11.054
   70    HB2  TYR  10           HB2      TYR  10   2.949  -1.426  -9.590
   71    HB3  TYR  10           HB3      TYR  10   3.453  -2.945  -8.875
   72    HD1  TYR  10           HD1      TYR  10   3.550  -0.878 -11.949
   73    HD2  TYR  10           HD2      TYR  10   5.066  -4.396 -10.059
   74    HE1  TYR  10           HE1      TYR  10   5.266  -1.063 -13.660
   75    HE2  TYR  10           HE2      TYR  10   6.789  -4.570 -11.780
   76    HH   TYR  10           HH       TYR  10   7.378  -2.010 -14.001
   77    H    ALA  11           H        ALA  11   2.189  -4.834  -8.222
   78    HA   ALA  11           HA       ALA  11   1.434  -7.207  -9.433
   79    HB1  ALA  11           HB1      ALA  11   3.343  -6.767 -10.942
   80    HB2  ALA  11           HB2      ALA  11   3.636  -8.157  -9.901
   81    HB3  ALA  11           HB3      ALA  11   4.403  -6.609  -9.540
   82    H    ASN  12           H        ASN  12   2.141  -9.013  -7.907
   83    HA   ASN  12           HA       ASN  12   2.581  -7.884  -5.313
   84    HB2  ASN  12           HB2      ASN  12   2.591 -10.744  -6.329
   85    HB3  ASN  12           HB3      ASN  12   2.775 -10.285  -4.622
   86   HD21  ASN  12          HD21      ASN  12   0.940 -11.258  -3.934
   87   HD22  ASN  12          HD22      ASN  12  -0.631 -10.653  -4.449
   88    H    ARG  13           H        ARG  13   4.591  -7.294  -4.823
   89    HA   ARG  13           HA       ARG  13   6.869  -8.803  -5.606
   90    HB2  ARG  13           HB2      ARG  13   6.260  -7.278  -7.544
   91    HB3  ARG  13           HB3      ARG  13   6.538  -5.923  -6.470
   92    HG2  ARG  13           HG2      ARG  13   8.872  -6.582  -6.244
   93    HG3  ARG  13           HG3      ARG  13   8.559  -7.974  -7.241
   94    HD2  ARG  13           HD2      ARG  13   8.094  -5.184  -8.235
   95    HD3  ARG  13           HD3      ARG  13   9.585  -6.093  -8.493
   96    HE   ARG  13           HE       ARG  13   7.027  -7.247  -9.321
   97   HH11  ARG  13          HH11      ARG  13  10.217  -5.996 -10.199
   98   HH12  ARG  13          HH12      ARG  13  10.152  -6.594 -11.789
   99   HH21  ARG  13          HH21      ARG  13   6.939  -8.058 -11.482
  100   HH22  ARG  13          HH22      ARG  13   8.229  -7.787 -12.545
  101    H    LYS  14           H        LYS  14   8.818  -7.862  -4.288
  102    HA   LYS  14           HA       LYS  14   8.164  -5.756  -2.395
  103    HB2  LYS  14           HB2      LYS  14   7.417  -8.222  -1.697
  104    HB3  LYS  14           HB3      LYS  14   9.057  -8.198  -1.080
  105    HG2  LYS  14           HG2      LYS  14   7.933  -7.425   0.768
  106    HG3  LYS  14           HG3      LYS  14   8.235  -5.886  -0.076
  107    HD2  LYS  14           HD2      LYS  14   5.914  -7.401  -0.878
  108    HD3  LYS  14           HD3      LYS  14   5.768  -6.628   0.728
  109    HE2  LYS  14           HE2      LYS  14   6.356  -4.470  -0.409
  110    HE3  LYS  14           HE3      LYS  14   6.368  -5.330  -1.946
  111    HZ1  LYS  14           HZ1      LYS  14   4.068  -5.823  -1.691
  112    HZ2  LYS  14           HZ2      LYS  14   4.312  -4.172  -1.570
  113    HZ3  LYS  14           HZ3      LYS  14   3.993  -5.066  -0.186
  114    H    TYR  15           H        TYR  15  10.023  -4.711  -1.917
  115    HA   TYR  15           HA       TYR  15  12.509  -6.178  -2.074
  116    HB2  TYR  15           HB2      TYR  15  12.521  -3.796  -2.752
  117    HB3  TYR  15           HB3      TYR  15  11.813  -3.339  -1.217
  118    HD1  TYR  15           HD1      TYR  15  14.883  -4.790  -2.759
  119    HD2  TYR  15           HD2      TYR  15  13.210  -2.774   0.592
  120    HE1  TYR  15           HE1      TYR  15  17.147  -4.387  -1.872
  121    HE2  TYR  15           HE2      TYR  15  15.464  -2.373   1.488
  122    HH   TYR  15           HH       TYR  15  17.690  -3.322   1.308
  123    H    THR  16           H        THR  16  12.505  -7.657  -0.533
  124    HA   THR  16           HA       THR  16  11.007  -7.824   1.694
  125    HB   THR  16           HB       THR  16  12.777  -9.596   2.292
  126    HG1  THR  16           HG1      THR  16  14.275  -9.958   0.608
  127   HG21  THR  16          HG21      THR  16  11.978 -11.036   0.449
  128   HG22  THR  16          HG22      THR  16  11.438  -9.604  -0.427
  129   HG23  THR  16          HG23      THR  16  10.650 -10.058   1.085
  130    H    ASP  17           H        ASP  17  11.375  -5.650   2.378
  131    HA   ASP  17           HA       ASP  17  12.966  -5.633   4.819
  132    HB2  ASP  17           HB2      ASP  17  14.384  -4.426   3.238
  133    HB3  ASP  17           HB3      ASP  17  13.014  -3.445   2.729
  134    H    PHE  18           H        PHE  18  11.703  -4.948   6.415
  135    HA   PHE  18           HA       PHE  18   9.350  -3.355   5.705
  136    HB2  PHE  18           HB2      PHE  18   9.553  -5.576   7.767
  137    HB3  PHE  18           HB3      PHE  18   8.176  -4.488   7.633
  138    HD1  PHE  18           HD1      PHE  18  10.028  -7.198   5.924
  139    HD2  PHE  18           HD2      PHE  18   6.554  -4.761   5.915
  140    HE1  PHE  18           HE1      PHE  18   9.021  -8.642   4.201
  141    HE2  PHE  18           HE2      PHE  18   5.542  -6.206   4.179
  142    HZ   PHE  18           HZ       PHE  18   6.778  -8.138   3.332
  143    H    ASP  19           H        ASP  19  12.083  -2.702   6.578
  144    HA   ASP  19           HA       ASP  19  12.046  -1.647   9.258
  145    HB2  ASP  19           HB2      ASP  19  14.145  -2.284   8.305
  146    HB3  ASP  19           HB3      ASP  19  13.868  -1.308   6.874
  147    H    LYS  20           H        LYS  20  11.021  -0.693   6.222
  148    HA   LYS  20           HA       LYS  20  11.273   2.094   6.203
  149    HB2  LYS  20           HB2      LYS  20   9.176   0.395   4.858
  150    HB3  LYS  20           HB3      LYS  20   9.586   2.051   4.428
  151    HG2  LYS  20           HG2      LYS  20  11.532  -0.243   4.327
  152    HG3  LYS  20           HG3      LYS  20  10.589   0.314   2.945
  153    HD2  LYS  20           HD2      LYS  20  11.669   2.442   2.975
  154    HD3  LYS  20           HD3      LYS  20  12.431   2.110   4.526
  155    HE2  LYS  20           HE2      LYS  20  12.980   0.565   1.987
  156    HE3  LYS  20           HE3      LYS  20  13.970   1.896   2.580
  157    HZ1  LYS  20           HZ1      LYS  20  13.515  -0.677   4.046
  158    HZ2  LYS  20           HZ2      LYS  20  14.395   0.650   4.572
  159    HZ3  LYS  20           HZ3      LYS  20  14.936  -0.182   3.255
  160    H    SER  21           H        SER  21   9.241   0.206   8.107
  161    HA   SER  21           HA       SER  21   7.977   0.692   9.816
  162    HB2  SER  21           HB2      SER  21   8.186   3.589   9.062
  163    HB3  SER  21           HB3      SER  21   7.432   2.974  10.539
  164    HG   SER  21           HG       SER  21   9.994   2.095   9.900
  165    H    PHE  22           H        PHE  22   6.413  -0.477   9.329
  166    HA   PHE  22           HA       PHE  22   4.082   0.723   8.009
  167    HB2  PHE  22           HB2      PHE  22   4.997  -2.153   7.865
  168    HB3  PHE  22           HB3      PHE  22   3.596  -1.434   7.063
  169    HD1  PHE  22           HD1      PHE  22   5.218   1.109   6.304
  170    HD2  PHE  22           HD2      PHE  22   5.850  -3.026   5.892
  171    HE1  PHE  22           HE1      PHE  22   6.435   1.584   4.381
  172    HE2  PHE  22           HE2      PHE  22   7.204  -2.628   3.881
  173    HZ   PHE  22           HZ       PHE  22   7.519  -0.395   3.056
  174    H    LYS  23           H        LYS  23   2.173   0.037   9.061
  175    HA   LYS  23           HA       LYS  23   2.608  -1.603  11.467
  176    HB2  LYS  23           HB2      LYS  23   0.610   0.632  11.107
  177    HB3  LYS  23           HB3      LYS  23   0.814  -0.319  12.573
  178    HG2  LYS  23           HG2      LYS  23   2.839   1.570  11.368
  179    HG3  LYS  23           HG3      LYS  23   1.837   1.892  12.784
  180    HD2  LYS  23           HD2      LYS  23   2.956   0.157  14.033
  181    HD3  LYS  23           HD3      LYS  23   3.842  -0.364  12.599
  182    HE2  LYS  23           HE2      LYS  23   4.984   1.781  12.507
  183    HE3  LYS  23           HE3      LYS  23   4.081   2.334  13.914
  184    HZ1  LYS  23           HZ1      LYS  23   5.155   0.668  15.248
  185    HZ2  LYS  23           HZ2      LYS  23   6.330   1.562  14.466
  186    HZ3  LYS  23           HZ3      LYS  23   5.964   0.022  13.924
  187    H    LYS  24           H        LYS  24   0.951  -3.115  11.966
  188    HA   LYS  24           HA       LYS  24  -0.842  -3.637   9.700
  189    HB2  LYS  24           HB2      LYS  24   0.734  -5.249   9.451
  190    HB3  LYS  24           HB3      LYS  24   0.916  -5.558  11.188
  191    HG2  LYS  24           HG2      LYS  24  -1.437  -6.482  11.106
  192    HG3  LYS  24           HG3      LYS  24  -1.353  -6.331   9.359
  193    HD2  LYS  24           HD2      LYS  24  -0.891  -8.609   9.977
  194    HD3  LYS  24           HD3      LYS  24   0.588  -7.881   9.364
  195    HE2  LYS  24           HE2      LYS  24  -0.014  -8.078  12.319
  196    HE3  LYS  24           HE3      LYS  24   0.736  -9.397  11.436
  197    HZ1  LYS  24           HZ1      LYS  24   2.560  -7.830  10.852
  198    HZ2  LYS  24           HZ2      LYS  24   2.416  -8.135  12.489
  199    HZ3  LYS  24           HZ3      LYS  24   1.888  -6.675  11.918
  200    H    SER  25           H        SER  25  -2.798  -3.567  10.161
  201    HA   SER  25           HA       SER  25  -3.869  -5.218  12.226
  202    HB2  SER  25           HB2      SER  25  -3.828  -2.859  13.219
  203    HB3  SER  25           HB3      SER  25  -4.748  -2.313  11.818
  204    HG   SER  25           HG       SER  25  -6.498  -3.092  12.644
  205    H    SER  26           H        SER  26  -5.586  -6.327  11.070
  206    HA   SER  26           HA       SER  26  -5.797  -5.295   8.362
  207    HB2  SER  26           HB2      SER  26  -6.963  -7.832   9.544
  208    HB3  SER  26           HB3      SER  26  -6.849  -7.414   7.834
  209    HG   SER  26           HG       SER  26  -5.197  -8.767   8.370
  210    H    ASP  27           H        ASP  27  -6.994  -3.579   8.509
  211    HA   ASP  27           HA       ASP  27  -9.911  -3.798   9.057
  212    HB2  ASP  27           HB2      ASP  27  -8.073  -1.546   9.652
  213    HB3  ASP  27           HB3      ASP  27  -9.832  -1.544   9.785
  214    H    LEU  28           H        LEU  28 -10.875  -3.616   7.201
  215    HA   LEU  28           HA       LEU  28  -9.409  -2.477   5.038
  216    HB2  LEU  28           HB2      LEU  28 -11.301  -4.164   4.846
  217    HB3  LEU  28           HB3      LEU  28 -12.402  -2.854   5.200
  218    HG   LEU  28           HG       LEU  28 -11.565  -1.693   3.147
  219   HD11  LEU  28          HD11      LEU  28 -10.217  -4.338   2.657
  220   HD12  LEU  28          HD12      LEU  28  -9.417  -2.788   2.940
  221   HD13  LEU  28          HD13      LEU  28 -10.384  -3.031   1.488
  222   HD21  LEU  28          HD21      LEU  28 -12.772  -4.427   2.771
  223   HD22  LEU  28          HD22      LEU  28 -12.820  -3.115   1.598
  224   HD23  LEU  28          HD23      LEU  28 -13.659  -2.949   3.142
  225    H    ASP  29           H        ASP  29 -12.106  -1.280   7.000
  226    HA   ASP  29           HA       ASP  29 -12.213   1.301   5.846
  227    HB2  ASP  29           HB2      ASP  29 -12.778   0.483   8.655
  228    HB3  ASP  29           HB3      ASP  29 -13.313   2.001   7.944
  229    H    GLU  30           H        GLU  30 -10.595   0.050   8.734
  230    HA   GLU  30           HA       GLU  30  -9.617   2.529   9.449
  231    HB2  GLU  30           HB2      GLU  30  -8.834  -0.129  10.652
  232    HB3  GLU  30           HB3      GLU  30  -8.165   1.399  11.150
  233    HG2  GLU  30           HG2      GLU  30  -9.970   0.600  12.612
  234    HG3  GLU  30           HG3      GLU  30 -10.285   2.179  11.903
  235    H    CYS  31           H        CYS  31  -8.121   0.028   7.638
  236    HA   CYS  31           HA       CYS  31  -5.533   1.153   7.755
  237    HB2  CYS  31           HB2      CYS  31  -6.849  -0.544   5.605
  238    HB3  CYS  31           HB3      CYS  31  -5.173   0.033   5.432
  239    H    LYS  32           H        LYS  32  -8.175   2.004   5.658
  240    HA   LYS  32           HA       LYS  32  -6.542   3.765   4.113
  241    HB2  LYS  32           HB2      LYS  32  -9.614   3.755   4.214
  242    HB3  LYS  32           HB3      LYS  32  -8.611   4.753   3.217
  243    HG2  LYS  32           HG2      LYS  32  -9.600   2.767   2.087
  244    HG3  LYS  32           HG3      LYS  32  -7.859   2.984   1.900
  245    HD2  LYS  32           HD2      LYS  32  -7.467   1.385   3.623
  246    HD3  LYS  32           HD3      LYS  32  -9.174   1.189   3.924
  247    HE2  LYS  32           HE2      LYS  32  -7.788   0.458   1.341
  248    HE3  LYS  32           HE3      LYS  32  -8.350  -0.680   2.565
  249    HZ1  LYS  32           HZ1      LYS  32  -9.869  -0.557   0.790
  250    HZ2  LYS  32           HZ2      LYS  32 -10.004   1.122   0.919
  251    HZ3  LYS  32           HZ3      LYS  32 -10.609   0.140   2.156
  252    H    LYS  33           H        LYS  33  -8.682   4.019   6.794
  253    HA   LYS  33           HA       LYS  33  -8.563   6.766   6.994
  254    HB2  LYS  33           HB2      LYS  33  -9.874   6.548   8.913
  255    HB3  LYS  33           HB3      LYS  33 -10.055   4.923   8.238
  256    HG2  LYS  33           HG2      LYS  33  -8.397   4.073   9.579
  257    HG3  LYS  33           HG3      LYS  33  -8.040   5.661  10.281
  258    HD2  LYS  33           HD2      LYS  33 -10.679   4.157  10.541
  259    HD3  LYS  33           HD3      LYS  33  -9.469   4.292  11.816
  260    HE2  LYS  33           HE2      LYS  33  -9.778   6.743  11.805
  261    HE3  LYS  33           HE3      LYS  33 -11.037   6.564  10.584
  262    HZ1  LYS  33           HZ1      LYS  33 -12.028   6.727  12.770
  263    HZ2  LYS  33           HZ2      LYS  33 -11.098   5.438  13.323
  264    HZ3  LYS  33           HZ3      LYS  33 -12.269   5.193  12.159
  265    H    THR  34           H        THR  34  -6.492   4.196   8.389
  266    HA   THR  34           HA       THR  34  -4.881   5.845   9.939
  267    HB   THR  34           HB       THR  34  -4.047   3.257   8.581
  268    HG1  THR  34           HG1      THR  34  -5.956   2.992   9.878
  269   HG21  THR  34          HG21      THR  34  -3.054   4.624  11.096
  270   HG22  THR  34          HG22      THR  34  -2.205   4.573   9.547
  271   HG23  THR  34          HG23      THR  34  -2.486   3.088  10.454
  272    H    CYS  35           H        CYS  35  -4.717   4.790   6.564
  273    HA   CYS  35           HA       CYS  35  -2.297   6.112   5.952
  274    HB2  CYS  35           HB2      CYS  35  -3.417   4.444   4.457
  275    HB3  CYS  35           HB3      CYS  35  -4.721   5.588   4.201
  276    H    PHE  36           H        PHE  36  -5.642   7.297   5.892
  277    HA   PHE  36           HA       PHE  36  -5.051   9.750   4.624
  278    HB2  PHE  36           HB2      PHE  36  -7.233   9.287   6.656
  279    HB3  PHE  36           HB3      PHE  36  -7.146  10.585   5.489
  280    HD1  PHE  36           HD1      PHE  36  -6.262   8.588   3.204
  281    HD2  PHE  36           HD2      PHE  36  -9.410   8.711   6.051
  282    HE1  PHE  36           HE1      PHE  36  -7.691   7.295   1.692
  283    HE2  PHE  36           HE2      PHE  36 -10.833   7.415   4.543
  284    HZ   PHE  36           HZ       PHE  36  -9.971   6.717   2.372
  285    H    LYS  37           H        LYS  37  -5.181   8.724   7.965
  286    HA   LYS  37           HA       LYS  37  -4.868  11.266   8.871
  287    HB2  LYS  37           HB2      LYS  37  -4.382  10.470  11.058
  288    HB3  LYS  37           HB3      LYS  37  -5.761   9.634  10.347
  289    HG2  LYS  37           HG2      LYS  37  -4.348   7.699   9.983
  290    HG3  LYS  37           HG3      LYS  37  -2.989   8.558  10.714
  291    HD2  LYS  37           HD2      LYS  37  -4.257   8.834  12.793
  292    HD3  LYS  37           HD3      LYS  37  -5.617   7.975  12.074
  293    HE2  LYS  37           HE2      LYS  37  -4.291   5.966  11.905
  294    HE3  LYS  37           HE3      LYS  37  -2.876   6.808  12.550
  295    HZ1  LYS  37           HZ1      LYS  37  -4.131   7.144  14.620
  296    HZ2  LYS  37           HZ2      LYS  37  -3.992   5.511  14.241
  297    HZ3  LYS  37           HZ3      LYS  37  -5.436   6.302  13.964
  298    H    THR  38           H        THR  38  -2.081   9.097   7.908
  299    HA   THR  38           HA       THR  38  -0.328  10.737   9.565
  300    HB   THR  38           HB       THR  38   0.613   9.362   7.098
  301    HG1  THR  38           HG1      THR  38  -0.695   7.718   7.693
  302   HG21  THR  38          HG21      THR  38   1.487   9.225   9.998
  303   HG22  THR  38          HG22      THR  38   2.235  10.275   8.797
  304   HG23  THR  38          HG23      THR  38   2.336   8.530   8.625
  305    H    GLU  39           H        GLU  39   1.819  11.676   7.783
  306    HA   GLU  39           HA       GLU  39   0.608  13.632   6.128
  307    HB2  GLU  39           HB2      GLU  39   3.524  12.893   6.109
  308    HB3  GLU  39           HB3      GLU  39   2.791  14.332   5.424
  309    HG2  GLU  39           HG2      GLU  39   3.630  15.199   7.349
  310    HG3  GLU  39           HG3      GLU  39   2.036  14.711   7.917
  311    H    TYR  40           H        TYR  40   2.272  10.862   5.651
  312    HA   TYR  40           HA       TYR  40   2.765  11.290   2.976
  313    HB2  TYR  40           HB2      TYR  40   3.237   8.752   4.548
  314    HB3  TYR  40           HB3      TYR  40   4.030   9.203   3.040
  315    HD1  TYR  40           HD1      TYR  40   5.210  11.483   3.023
  316    HD2  TYR  40           HD2      TYR  40   4.277   9.342   6.545
  317    HE1  TYR  40           HE1      TYR  40   6.938  12.746   4.234
  318    HE2  TYR  40           HE2      TYR  40   5.984  10.596   7.780
  319    HH   TYR  40           HH       TYR  40   8.029  11.813   7.299
  320    H    CYS  41           H        CYS  41   0.169   9.769   4.545
  321    HA   CYS  41           HA       CYS  41  -0.876   7.644   3.604
  322    HB2  CYS  41           HB2      CYS  41  -2.441   9.465   4.124
  323    HB3  CYS  41           HB3      CYS  41  -2.291  10.043   2.450
  324    H    TYR  42           H        TYR  42   0.376   6.460   1.999
  325    HA   TYR  42           HA       TYR  42  -0.865   6.553  -0.491
  326    HB2  TYR  42           HB2      TYR  42   0.984   7.150  -2.042
  327    HB3  TYR  42           HB3      TYR  42   0.317   8.474  -1.114
  328    HD1  TYR  42           HD1      TYR  42   2.523   6.661   1.038
  329    HD2  TYR  42           HD2      TYR  42   2.482   9.380  -2.251
  330    HE1  TYR  42           HE1      TYR  42   4.775   7.355   1.583
  331    HE2  TYR  42           HE2      TYR  42   4.761  10.071  -1.691
  332    HH   TYR  42           HH       TYR  42   6.281  10.065   0.120
  333    H    ILE  43           H        ILE  43   1.428   4.675   1.484
  334    HA   ILE  43           HA       ILE  43   1.430   2.916  -0.861
  335    HB   ILE  43           HB       ILE  43   3.722   2.950   1.130
  336   HG12  ILE  43          HG12      ILE  43   3.782   5.142  -0.040
  337   HG13  ILE  43          HG13      ILE  43   5.115   4.094  -0.495
  338   HG21  ILE  43          HG21      ILE  43   3.452   1.720  -1.588
  339   HG22  ILE  43          HG22      ILE  43   3.439   0.881  -0.037
  340   HG23  ILE  43          HG23      ILE  43   4.906   1.689  -0.594
  341   HD11  ILE  43          HD11      ILE  43   4.137   3.623  -2.574
  342   HD12  ILE  43          HD12      ILE  43   4.192   5.367  -2.360
  343   HD13  ILE  43          HD13      ILE  43   2.658   4.510  -2.156
  344    H    VAL  44           H        VAL  44   0.910   0.784  -0.388
  345    HA   VAL  44           HA       VAL  44   0.604   0.169   2.435
  346    HB   VAL  44           HB       VAL  44  -1.390  -0.458   0.357
  347   HG11  VAL  44          HG11      VAL  44  -2.942  -0.991   2.232
  348   HG12  VAL  44          HG12      VAL  44  -1.613  -0.670   3.348
  349   HG13  VAL  44          HG13      VAL  44  -1.494  -1.997   2.194
  350   HG21  VAL  44          HG21      VAL  44  -2.951   1.215   1.296
  351   HG22  VAL  44          HG22      VAL  44  -1.524   1.900   0.539
  352   HG23  VAL  44          HG23      VAL  44  -1.630   1.831   2.305
  353    H    PHE  45           H        PHE  45   1.053  -1.973   2.849
  354    HA   PHE  45           HA       PHE  45   1.686  -3.664   0.525
  355    HB2  PHE  45           HB2      PHE  45   3.091  -3.398   3.212
  356    HB3  PHE  45           HB3      PHE  45   3.286  -4.810   2.188
  357    HD1  PHE  45           HD1      PHE  45   2.988  -2.052   0.068
  358    HD2  PHE  45           HD2      PHE  45   5.789  -3.871   2.709
  359    HE1  PHE  45           HE1      PHE  45   4.833  -1.022  -1.139
  360    HE2  PHE  45           HE2      PHE  45   7.609  -2.856   1.465
  361    HZ   PHE  45           HZ       PHE  45   7.108  -1.429  -0.491
  362    H    GLU  46           H        GLU  46   0.444  -5.531   0.555
  363    HA   GLU  46           HA       GLU  46  -0.646  -6.172   3.173
  364    HB2  GLU  46           HB2      GLU  46  -2.198  -6.176   0.584
  365    HB3  GLU  46           HB3      GLU  46  -2.793  -6.857   2.107
  366    HG2  GLU  46           HG2      GLU  46  -2.481  -4.523   3.090
  367    HG3  GLU  46           HG3      GLU  46  -2.224  -3.976   1.445
  368    H    ASP  47           H        ASP  47  -1.191  -8.288   3.474
  369    HA   ASP  47           HA       ASP  47   0.549 -10.110   1.962
  370    HB2  ASP  47           HB2      ASP  47   0.631 -10.035   4.479
  371    HB3  ASP  47           HB3      ASP  47  -1.044 -10.607   4.485
  372    H    THR  48           H        THR  48  -0.373 -11.479   0.522
  373    HA   THR  48           HA       THR  48  -3.260 -11.287   0.243
  374    HB   THR  48           HB       THR  48  -1.943 -10.933  -1.810
  375    HG1  THR  48           HG1      THR  48  -3.806 -12.946  -1.567
  376   HG21  THR  48          HG21      THR  48  -0.044 -12.424  -1.334
  377   HG22  THR  48          HG22      THR  48  -0.761 -12.796  -2.902
  378   HG23  THR  48          HG23      THR  48  -1.098 -13.825  -1.510
  379    H    VAL  49           H        VAL  49  -0.989 -13.501   1.491
  380    HA   VAL  49           HA       VAL  49  -2.617 -15.855   0.985
  381    HB   VAL  49           HB       VAL  49  -0.129 -15.525   2.694
  382   HG11  VAL  49          HG11      VAL  49   0.058 -17.959   2.587
  383   HG12  VAL  49          HG12      VAL  49  -1.454 -18.041   1.686
  384   HG13  VAL  49          HG13      VAL  49  -1.454 -17.469   3.355
  385   HG21  VAL  49          HG21      VAL  49  -0.412 -16.568  -0.123
  386   HG22  VAL  49          HG22      VAL  49   1.074 -16.567   0.827
  387   HG23  VAL  49          HG23      VAL  49   0.327 -15.040   0.351
  388    H    ASN  50           H        ASN  50  -1.586 -13.885   3.603
  389    HA   ASN  50           HA       ASN  50  -3.277 -15.214   5.552
  390    HB2  ASN  50           HB2      ASN  50  -1.272 -13.017   5.651
  391    HB3  ASN  50           HB3      ASN  50  -2.083 -13.481   7.113
  392   HD21  ASN  50          HD21      ASN  50   0.359 -14.112   4.837
  393   HD22  ASN  50          HD22      ASN  50   1.024 -15.551   5.528
  394    H    LYS  51           H        LYS  51  -3.291 -12.458   3.544
  395    HA   LYS  51           HA       LYS  51  -4.490 -10.602   3.369
  396    HB2  LYS  51           HB2      LYS  51  -6.632 -12.199   4.804
  397    HB3  LYS  51           HB3      LYS  51  -6.906 -10.566   4.231
  398    HG2  LYS  51           HG2      LYS  51  -7.855 -12.045   2.627
  399    HG3  LYS  51           HG3      LYS  51  -6.390 -11.384   1.912
  400    HD2  LYS  51           HD2      LYS  51  -6.345 -13.663   1.354
  401    HD3  LYS  51           HD3      LYS  51  -5.244 -13.525   2.718
  402    HE2  LYS  51           HE2      LYS  51  -8.100 -14.520   2.821
  403    HE3  LYS  51           HE3      LYS  51  -6.648 -15.506   2.903
  404    HZ1  LYS  51           HZ1      LYS  51  -7.677 -13.624   4.971
  405    HZ2  LYS  51           HZ2      LYS  51  -6.127 -14.286   5.039
  406    HZ3  LYS  51           HZ3      LYS  51  -7.450 -15.266   5.073
  407    H    GLU  52           H        GLU  52  -2.840  -9.864   4.626
  408    HA   GLU  52           HA       GLU  52  -3.782  -8.756   7.163
  409    HB2  GLU  52           HB2      GLU  52  -0.964  -9.682   6.488
  410    HB3  GLU  52           HB3      GLU  52  -1.397  -8.839   7.950
  411    HG2  GLU  52           HG2      GLU  52  -2.915 -10.634   8.556
  412    HG3  GLU  52           HG3      GLU  52  -2.368 -11.520   7.132
  413    H    CYS  53           H        CYS  53  -3.078  -6.565   7.573
  414    HA   CYS  53           HA       CYS  53  -2.605  -5.246   5.008
  415    HB2  CYS  53           HB2      CYS  53  -4.901  -4.957   5.808
  416    HB3  CYS  53           HB3      CYS  53  -4.285  -4.391   7.365
  417    H    TYR  54           H        TYR  54  -0.717  -4.162   4.951
  418    HA   TYR  54           HA       TYR  54   0.250  -3.022   7.467
  419    HB2  TYR  54           HB2      TYR  54   1.779  -4.104   5.087
  420    HB3  TYR  54           HB3      TYR  54   2.505  -3.053   6.284
  421    HD1  TYR  54           HD1      TYR  54   0.887  -6.354   5.819
  422    HD2  TYR  54           HD2      TYR  54   3.400  -3.929   8.237
  423    HE1  TYR  54           HE1      TYR  54   1.514  -8.327   7.142
  424    HE2  TYR  54           HE2      TYR  54   4.032  -5.887   9.565
  425    HH   TYR  54           HH       TYR  54   3.436  -9.012   8.592
  426    H    TYR  55           H        TYR  55   0.347  -0.994   7.368
  427    HA   TYR  55           HA       TYR  55   0.065   0.249   4.737
  428    HB2  TYR  55           HB2      TYR  55  -0.807   2.240   6.313
  429    HB3  TYR  55           HB3      TYR  55  -1.870   1.026   5.617
  430    HD1  TYR  55           HD1      TYR  55  -2.804  -0.757   6.994
  431    HD2  TYR  55           HD2      TYR  55  -0.337   2.232   8.734
  432    HE1  TYR  55           HE1      TYR  55  -3.563  -1.453   9.218
  433    HE2  TYR  55           HE2      TYR  55  -1.106   1.538  10.978
  434    HH   TYR  55           HH       TYR  55  -3.060   0.377  11.980
  435    H    ASN  56           H        ASN  56   1.475   1.682   3.992
  436    HA   ASN  56           HA       ASN  56   3.850   2.048   5.638
  437    HB2  ASN  56           HB2      ASN  56   4.208   1.660   3.255
  438    HB3  ASN  56           HB3      ASN  56   3.102   3.014   2.919
  439   HD21  ASN  56          HD21      ASN  56   4.578   4.218   1.809
  440   HD22  ASN  56          HD22      ASN  56   5.900   5.029   2.611
  441    H    VAL  57           H        VAL  57   4.254   3.545   6.804
  442    HA   VAL  57           HA       VAL  57   2.321   5.773   6.788
  443    HB   VAL  57           HB       VAL  57   2.720   6.143   9.180
  444   HG11  VAL  57          HG11      VAL  57   0.884   4.713   8.553
  445   HG12  VAL  57          HG12      VAL  57   1.613   4.129  10.049
  446   HG13  VAL  57          HG13      VAL  57   1.950   3.310   8.525
  447   HG21  VAL  57          HG21      VAL  57   3.966   4.494  10.527
  448   HG22  VAL  57          HG22      VAL  57   5.011   5.331   9.378
  449   HG23  VAL  57          HG23      VAL  57   4.474   3.685   9.043
  450    H    VAL  58           H        VAL  58   5.368   5.153   5.916
  451    HA   VAL  58           HA       VAL  58   6.218   7.940   6.502
  452    HB   VAL  58           HB       VAL  58   8.164   5.664   5.982
  453   HG11  VAL  58          HG11      VAL  58   8.521   8.361   7.256
  454   HG12  VAL  58          HG12      VAL  58   9.315   7.727   5.795
  455   HG13  VAL  58          HG13      VAL  58   9.706   7.076   7.369
  456   HG21  VAL  58          HG21      VAL  58   8.519   5.457   8.409
  457   HG22  VAL  58          HG22      VAL  58   6.899   4.956   7.913
  458   HG23  VAL  58          HG23      VAL  58   7.147   6.527   8.677
  459    H    ASP  59           H        ASP  59   8.185   8.259   4.763
  460    HA   ASP  59           HA       ASP  59   6.965   8.665   2.321
  461    HB2  ASP  59           HB2      ASP  59   9.934   8.551   2.947
  462    HB3  ASP  59           HB3      ASP  59   9.259   9.121   1.433
  463    H    GLY  60           H        GLY  60   6.599   7.318   0.923
  464    HA2  GLY  60           HA2      GLY  60   8.164   4.867   0.674
  465    HA3  GLY  60           HA3      GLY  60   6.407   4.802   0.686
  466    H    GLU  61           H        GLU  61   7.213   7.619  -0.800
  467    HA   GLU  61           HA       GLU  61   6.748   6.651  -3.435
  468    HB2  GLU  61           HB2      GLU  61   7.324   8.960  -4.121
  469    HB3  GLU  61           HB3      GLU  61   6.171   8.941  -2.796
  470    HG2  GLU  61           HG2      GLU  61   8.157   9.275  -1.258
  471    HG3  GLU  61           HG3      GLU  61   9.092   9.625  -2.712
  472    H    GLU  62           H        GLU  62   9.362   6.983  -1.371
  473    HA   GLU  62           HA       GLU  62  11.502   6.799  -3.192
  474    HB2  GLU  62           HB2      GLU  62  11.630   7.724  -0.879
  475    HB3  GLU  62           HB3      GLU  62  11.359   6.109  -0.255
  476    HG2  GLU  62           HG2      GLU  62  13.709   6.738  -0.145
  477    HG3  GLU  62           HG3      GLU  62  13.459   5.369  -1.226
  478    H    LEU  63           H        LEU  63   9.107   4.571  -2.098
  479    HA   LEU  63           HA       LEU  63  10.859   2.288  -2.374
  480    HB2  LEU  63           HB2      LEU  63   7.840   2.447  -2.172
  481    HB3  LEU  63           HB3      LEU  63   8.784   0.956  -2.141
  482    HG   LEU  63           HG       LEU  63   8.968   3.150  -0.078
  483   HD11  LEU  63          HD11      LEU  63   7.587   0.482   0.062
  484   HD12  LEU  63          HD12      LEU  63   6.818   2.073   0.063
  485   HD13  LEU  63          HD13      LEU  63   7.831   1.582   1.416
  486   HD21  LEU  63          HD21      LEU  63  11.045   1.905  -0.294
  487   HD22  LEU  63          HD22      LEU  63  10.165   0.381  -0.144
  488   HD23  LEU  63          HD23      LEU  63  10.234   1.502   1.215
  489    H    ASP  64           H        ASP  64  11.644   1.935  -4.295
  490    HA   ASP  64           HA       ASP  64  10.134   2.723  -6.648
  491    HB2  ASP  64           HB2      ASP  64  12.620   3.190  -6.321
  492    HB3  ASP  64           HB3      ASP  64  12.868   1.473  -6.619
  493    H    GLN  65           H        GLN  65   9.046   1.404  -7.737
  494    HA   GLN  65           HA       GLN  65   8.445  -1.182  -6.793
  495    HB2  GLN  65           HB2      GLN  65   6.874   0.404  -7.800
  496    HB3  GLN  65           HB3      GLN  65   7.667   0.167  -9.348
  497    HG2  GLN  65           HG2      GLN  65   5.748  -1.172  -9.371
  498    HG3  GLN  65           HG3      GLN  65   7.115  -2.246  -9.148
  499   HE21  GLN  65          HE21      GLN  65   4.513  -0.694  -7.579
  500   HE22  GLN  65          HE22      GLN  65   4.425  -1.643  -6.154
  501    H    GLU  66           H        GLU  66  10.502  -0.014  -9.399
  502    HA   GLU  66           HA       GLU  66  10.380  -2.666 -10.507
  503    HB2  GLU  66           HB2      GLU  66  11.808  -0.285 -11.679
  504    HB3  GLU  66           HB3      GLU  66  11.593  -1.844 -12.457
  505    HG2  GLU  66           HG2      GLU  66   9.888  -0.613 -13.450
  506    HG3  GLU  66           HG3      GLU  66   9.008  -1.321 -12.088
  507    H    LYS  67           H        LYS  67  12.309  -1.139  -8.292
  508    HA   LYS  67           HA       LYS  67  14.465  -3.056  -8.836
  509    HB2  LYS  67           HB2      LYS  67  14.497  -0.694  -6.916
  510    HB3  LYS  67           HB3      LYS  67  15.819  -1.837  -7.094
  511    HG2  LYS  67           HG2      LYS  67  16.479  -0.022  -8.392
  512    HG3  LYS  67           HG3      LYS  67  15.817  -1.153  -9.573
  513    HD2  LYS  67           HD2      LYS  67  13.602   0.147  -9.238
  514    HD3  LYS  67           HD3      LYS  67  14.614   1.343  -8.462
  515    HE2  LYS  67           HE2      LYS  67  15.965   1.535 -10.503
  516    HE3  LYS  67           HE3      LYS  67  14.899   0.360 -11.280
  517    HZ1  LYS  67           HZ1      LYS  67  13.027   1.962 -10.716
  518    HZ2  LYS  67           HZ2      LYS  67  14.108   2.513 -11.905
  519    HZ3  LYS  67           HZ3      LYS  67  14.214   3.077 -10.340
  520    H    PHE  68           H        PHE  68  11.757  -3.058  -7.531
  521    HA   PHE  68           HA       PHE  68  12.130  -4.435  -5.053
  522    HB2  PHE  68           HB2      PHE  68   9.916  -3.394  -6.682
  523    HB3  PHE  68           HB3      PHE  68   9.559  -4.938  -5.914
  524    HD1  PHE  68           HD1      PHE  68  11.536  -2.056  -4.603
  525    HD2  PHE  68           HD2      PHE  68   8.025  -4.433  -4.323
  526    HE1  PHE  68           HE1      PHE  68  10.944  -0.939  -2.488
  527    HE2  PHE  68           HE2      PHE  68   7.432  -3.327  -2.221
  528    HZ   PHE  68           HZ       PHE  68   8.879  -1.611  -1.287
  529    H    VAL  69           H        VAL  69  11.640  -6.733  -4.798
  530    HA   VAL  69           HA       VAL  69  12.263  -8.308  -7.232
  531    HB   VAL  69           HB       VAL  69  12.866  -8.865  -4.292
  532   HG11  VAL  69          HG11      VAL  69  14.250 -10.703  -5.048
  533   HG12  VAL  69          HG12      VAL  69  13.845 -10.347  -6.719
  534   HG13  VAL  69          HG13      VAL  69  12.588 -10.908  -5.610
  535   HG21  VAL  69          HG21      VAL  69  14.220  -7.021  -5.093
  536   HG22  VAL  69          HG22      VAL  69  14.759  -7.995  -6.458
  537   HG23  VAL  69          HG23      VAL  69  15.212  -8.452  -4.815
  538    H    VAL  70           H        VAL  70  10.940 -10.293  -7.316
  539    HA   VAL  70           HA       VAL  70   8.443  -9.617  -6.161
  540    HB   VAL  70           HB       VAL  70   8.334 -10.410  -8.368
  541   HG11  VAL  70          HG11      VAL  70   9.541 -12.984  -7.385
  542   HG12  VAL  70          HG12      VAL  70  10.267 -11.826  -8.508
  543   HG13  VAL  70          HG13      VAL  70   8.855 -12.756  -8.990
  544   HG21  VAL  70          HG21      VAL  70   6.387 -10.944  -7.067
  545   HG22  VAL  70          HG22      VAL  70   7.131 -12.441  -6.503
  546   HG23  VAL  70          HG23      VAL  70   6.690 -12.257  -8.204
  547    H    ASP  71           H        ASP  71   7.794  -9.958  -4.122
  548    HA   ASP  71           HA       ASP  71   8.268 -12.610  -3.040
  549    HB2  ASP  71           HB2      ASP  71   8.857 -10.629  -1.509
  550    HB3  ASP  71           HB3      ASP  71   7.219 -10.065  -1.819
  551    H    GLU  72           H        GLU  72   6.529 -13.879  -2.986
  552    HA   GLU  72           HA       GLU  72   4.356 -12.868  -4.613
  553    HB2  GLU  72           HB2      GLU  72   3.716 -15.218  -4.871
  554    HB3  GLU  72           HB3      GLU  72   5.384 -14.910  -5.324
  555    HG2  GLU  72           HG2      GLU  72   6.161 -15.839  -3.246
  556    HG3  GLU  72           HG3      GLU  72   4.496 -16.059  -2.701
  557    H    ASN  73           H        ASN  73   4.886 -13.268  -1.345
  558    HA   ASN  73           HA       ASN  73   2.122 -14.029  -0.874
  559    HB2  ASN  73           HB2      ASN  73   2.764 -14.176   1.573
  560    HB3  ASN  73           HB3      ASN  73   3.565 -15.321   0.510
  561   HD21  ASN  73          HD21      ASN  73   5.744 -15.092   0.121
  562   HD22  ASN  73          HD22      ASN  73   6.736 -13.980   1.024
  563    H    PHE  74           H        PHE  74   4.117 -11.277  -0.763
  564    HA   PHE  74           HA       PHE  74   1.885  -9.783   0.377
  565    HB2  PHE  74           HB2      PHE  74   4.797  -9.237   0.174
  566    HB3  PHE  74           HB3      PHE  74   3.698  -7.865   0.151
  567    HD1  PHE  74           HD1      PHE  74   4.671 -10.841   2.131
  568    HD2  PHE  74           HD2      PHE  74   2.780  -7.047   2.105
  569    HE1  PHE  74           HE1      PHE  74   4.507 -10.910   4.581
  570    HE2  PHE  74           HE2      PHE  74   2.612  -7.102   4.544
  571    HZ   PHE  74           HZ       PHE  74   3.461  -9.033   5.791
  572    H    THR  75           H        THR  75   1.254  -7.779  -0.587
  573    HA   THR  75           HA       THR  75   1.328  -7.789  -3.545
  574    HB   THR  75           HB       THR  75  -0.894  -6.810  -3.381
  575    HG1  THR  75           HG1      THR  75  -1.110  -5.566  -1.619
  576   HG21  THR  75          HG21      THR  75  -0.705  -9.072  -1.400
  577   HG22  THR  75          HG22      THR  75  -0.813  -9.251  -3.151
  578   HG23  THR  75          HG23      THR  75  -2.161  -8.554  -2.251
  579    H    GLU  76           H        GLU  76   2.027  -5.688  -4.496
  580    HA   GLU  76           HA       GLU  76   2.498  -3.770  -2.406
  581    HB2  GLU  76           HB2      GLU  76   4.492  -4.694  -3.736
  582    HB3  GLU  76           HB3      GLU  76   3.837  -3.838  -5.137
  583    HG2  GLU  76           HG2      GLU  76   5.032  -2.783  -2.598
  584    HG3  GLU  76           HG3      GLU  76   5.519  -2.571  -4.283
  585    H    ASN  77           H        ASN  77   1.113  -2.017  -2.528
  586    HA   ASN  77           HA       ASN  77   0.101  -1.416  -5.107
  587    HB2  ASN  77           HB2      ASN  77  -2.321  -1.434  -3.985
  588    HB3  ASN  77           HB3      ASN  77  -1.416  -2.867  -4.371
  589   HD21  ASN  77          HD21      ASN  77  -1.518  -0.858  -1.569
  590   HD22  ASN  77          HD22      ASN  77  -1.726  -2.193  -0.453
  591    H    TYR  78           H        TYR  78   0.326   0.637  -5.386
  592    HA   TYR  78           HA       TYR  78   0.666   2.423  -3.076
  593    HB2  TYR  78           HB2      TYR  78   2.792   3.264  -3.902
  594    HB3  TYR  78           HB3      TYR  78   2.905   1.524  -3.769
  595    HD1  TYR  78           HD1      TYR  78   1.879   0.523  -6.311
  596    HD2  TYR  78           HD2      TYR  78   4.174   4.017  -5.530
  597    HE1  TYR  78           HE1      TYR  78   2.763   0.444  -8.592
  598    HE2  TYR  78           HE2      TYR  78   5.060   3.947  -7.822
  599    HH   TYR  78           HH       TYR  78   3.706   1.937 -10.213
  600    H    LEU  79           H        LEU  79   0.234   4.587  -3.488
  601    HA   LEU  79           HA       LEU  79  -1.493   5.073  -5.713
  602    HB2  LEU  79           HB2      LEU  79  -2.070   6.150  -3.705
  603    HB3  LEU  79           HB3      LEU  79  -0.464   6.826  -3.513
  604    HG   LEU  79           HG       LEU  79  -0.855   8.201  -5.526
  605   HD11  LEU  79          HD11      LEU  79  -3.123   8.560  -6.323
  606   HD12  LEU  79          HD12      LEU  79  -3.663   7.200  -5.334
  607   HD13  LEU  79          HD13      LEU  79  -2.509   6.939  -6.643
  608   HD21  LEU  79          HD21      LEU  79  -2.392   9.801  -4.431
  609   HD22  LEU  79          HD22      LEU  79  -1.128   9.190  -3.353
  610   HD23  LEU  79          HD23      LEU  79  -2.773   8.555  -3.247
  611    H    THR  80           H        THR  80  -0.595   5.185  -7.644
  612    HA   THR  80           HA       THR  80   1.260   7.367  -8.043
  613    HB   THR  80           HB       THR  80   2.578   5.261  -8.277
  614    HG1  THR  80           HG1      THR  80   2.229   6.800 -10.663
  615   HG21  THR  80          HG21      THR  80   0.849   3.756  -9.086
  616   HG22  THR  80          HG22      THR  80   2.212   3.780 -10.202
  617   HG23  THR  80          HG23      THR  80   0.735   4.664 -10.595
  618    H    ASP  81           H        ASP  81   0.546   8.835  -9.417
  619    HA   ASP  81           HA       ASP  81  -0.481   9.889 -11.153
  620    HB2  ASP  81           HB2      ASP  81  -0.650   7.088 -12.290
  621    HB3  ASP  81           HB3      ASP  81  -1.058   8.542 -13.189
  622    H    CYS  82           H        CYS  82  -2.130   8.762  -8.912
  623    HA   CYS  82           HA       CYS  82  -4.718   8.926 -10.324
  624    HB2  CYS  82           HB2      CYS  82  -4.256   6.567  -9.676
  625    HB3  CYS  82           HB3      CYS  82  -4.089   7.071  -8.007
  626    H    GLU  83           H        GLU  83  -2.726  10.344  -8.258
  627    HA   GLU  83           HA       GLU  83  -2.641  11.772  -6.673
  628    HB2  GLU  83           HB2      GLU  83  -4.070  13.695  -6.659
  629    HB3  GLU  83           HB3      GLU  83  -3.778  13.189  -8.309
  630    HG2  GLU  83           HG2      GLU  83  -5.983  12.156  -8.354
  631    HG3  GLU  83           HG3      GLU  83  -6.231  12.704  -6.695
  632    H    GLY  84           H        GLY  84  -5.548   9.891  -6.261
  633    HA2  GLY  84           HA2      GLY  84  -5.091   8.644  -4.119
  634    HA3  GLY  84           HA3      GLY  84  -4.939  10.228  -3.404
  635    H    LYS  85           H        LYS  85  -6.663  11.209  -2.675
  636    HA   LYS  85           HA       LYS  85  -8.821   9.454  -2.029
  637    HB2  LYS  85           HB2      LYS  85  -7.567  10.961  -0.476
  638    HB3  LYS  85           HB3      LYS  85  -8.407  12.308  -1.219
  639    HG2  LYS  85           HG2      LYS  85 -10.537  11.385  -0.454
  640    HG3  LYS  85           HG3      LYS  85  -9.679  10.034   0.283
  641    HD2  LYS  85           HD2      LYS  85  -9.150  12.922   1.009
  642    HD3  LYS  85           HD3      LYS  85 -10.324  11.924   1.849
  643    HE2  LYS  85           HE2      LYS  85  -8.215  12.046   3.096
  644    HE3  LYS  85           HE3      LYS  85  -8.528  10.406   2.566
  645    HZ1  LYS  85           HZ1      LYS  85  -6.716  12.177   1.015
  646    HZ2  LYS  85           HZ2      LYS  85  -6.793  10.504   1.027
  647    HZ3  LYS  85           HZ3      LYS  85  -6.129  11.336   2.330
  648    H    ASP  86           H        ASP  86 -10.087   9.195  -3.752
  649    HA   ASP  86           HA       ASP  86 -12.290  10.858  -4.053
  650    HB2  ASP  86           HB2      ASP  86 -10.846  12.350  -5.417
  651    HB3  ASP  86           HB3      ASP  86 -10.444  10.994  -6.468
  652    H    ALA  87           H        ALA  87 -10.212   8.735  -5.936
  653    HA   ALA  87           HA       ALA  87 -12.400   7.344  -7.125
  654    HB1  ALA  87           HB1      ALA  87  -9.477   6.626  -6.977
  655    HB2  ALA  87           HB2      ALA  87 -10.252   7.537  -8.271
  656    HB3  ALA  87           HB3      ALA  87 -10.672   5.845  -8.008
  657    H    GLY  88           H        GLY  88 -13.008   5.187  -6.767
  658    HA2  GLY  88           HA2      GLY  88 -12.874   4.446  -3.981
  659    HA3  GLY  88           HA3      GLY  88 -13.860   3.692  -5.232
  660    H    ASN  89           H        ASN  89 -11.802   2.765  -3.171
  661    HA   ASN  89           HA       ASN  89 -10.773   0.648  -4.746
  662    HB2  ASN  89           HB2      ASN  89  -9.005   2.277  -5.292
  663    HB3  ASN  89           HB3      ASN  89  -8.764   2.616  -3.582
  664   HD21  ASN  89          HD21      ASN  89  -7.677   1.156  -2.342
  665   HD22  ASN  89          HD22      ASN  89  -6.761  -0.182  -2.986
  666    H    ALA  90           H        ALA  90 -11.984  -0.477  -3.285
  667    HA   ALA  90           HA       ALA  90 -11.405  -0.154  -0.501
  668    HB1  ALA  90           HB1      ALA  90 -13.107  -1.834  -0.075
  669    HB2  ALA  90           HB2      ALA  90 -13.198  -2.205  -1.795
  670    HB3  ALA  90           HB3      ALA  90 -13.712  -0.626  -1.204
  671    H    ALA  91           H        ALA  91 -11.306  -3.027  -2.591
  672    HA   ALA  91           HA       ALA  91  -9.249  -4.056  -0.838
  673    HB1  ALA  91           HB1      ALA  91 -10.534  -5.284  -3.286
  674    HB2  ALA  91           HB2      ALA  91 -11.005  -5.596  -1.616
  675    HB3  ALA  91           HB3      ALA  91  -9.415  -6.099  -2.193
  676    H    GLY  92           H        GLY  92  -7.400  -3.008  -1.170
  677    HA2  GLY  92           HA2      GLY  92  -6.532  -2.442  -3.907
  678    HA3  GLY  92           HA3      GLY  92  -5.741  -1.898  -2.432
  679    H    THR  93           H        THR  93  -6.356  -4.837  -1.650
  680    HA   THR  93           HA       THR  93  -3.815  -5.897  -1.750
  681    HB   THR  93           HB       THR  93  -6.343  -7.507  -1.681
  682    HG1  THR  93           HG1      THR  93  -5.424  -5.554   0.159
  683   HG21  THR  93          HG21      THR  93  -4.212  -8.696  -1.444
  684   HG22  THR  93          HG22      THR  93  -5.116  -8.738   0.067
  685   HG23  THR  93          HG23      THR  93  -3.754  -7.633  -0.112
  686    H    GLY  94           H        GLY  94  -2.839  -6.360  -3.742
  687    HA2  GLY  94           HA2      GLY  94  -4.216  -7.384  -6.004
  688    HA3  GLY  94           HA3      GLY  94  -2.483  -7.524  -5.718
  689    H    ASP  95           H        ASP  95  -5.571  -8.934  -5.129
  690    HA   ASP  95           HA       ASP  95  -4.860 -11.153  -3.633
  691    HB2  ASP  95           HB2      ASP  95  -7.128 -10.641  -3.642
  692    HB3  ASP  95           HB3      ASP  95  -7.201 -10.559  -5.399
  693    H    GLU  96           H        GLU  96  -3.626 -12.733  -4.064
  694    HA   GLU  96           HA       GLU  96  -3.967 -14.068  -6.634
  695    HB2  GLU  96           HB2      GLU  96  -1.355 -13.836  -5.113
  696    HB3  GLU  96           HB3      GLU  96  -1.606 -14.875  -6.503
  697    HG2  GLU  96           HG2      GLU  96  -2.248 -12.711  -7.736
  698    HG3  GLU  96           HG3      GLU  96  -1.472 -11.889  -6.386
  699    H    SER  97           H        SER  97  -5.117 -14.287  -3.830
  700    HA   SER  97           HA       SER  97  -4.204 -16.921  -3.066
  701    HB2  SER  97           HB2      SER  97  -4.882 -15.208  -1.314
  702    HB3  SER  97           HB3      SER  97  -6.523 -15.289  -1.948
  703    HG   SER  97           HG       SER  97  -5.116 -17.563  -1.052
  704    H    ASP  98           H        ASP  98  -4.670 -18.083  -4.778
  705    HA   ASP  98           HA       ASP  98  -7.314 -17.968  -5.981
  706    HB2  ASP  98           HB2      ASP  98  -5.254 -17.736  -7.364
  707    HB3  ASP  98           HB3      ASP  98  -4.810 -19.374  -6.904
  708    H    GLU  99           H        GLU  99  -8.518 -19.914  -6.345
  709    HA   GLU  99           HA       GLU  99  -7.860 -21.935  -4.333
  710    HB2  GLU  99           HB2      GLU  99 -10.031 -20.560  -4.180
  711    HB3  GLU  99           HB3      GLU  99 -10.591 -21.532  -5.533
  712    HG2  GLU  99           HG2      GLU  99 -11.386 -22.452  -3.434
  713    HG3  GLU  99           HG3      GLU  99 -10.252 -23.562  -4.210
  714    H    VAL 100           H        VAL 100  -7.268 -21.553  -7.397
  715    HA   VAL 100           HA       VAL 100  -6.680 -22.846  -9.063
  716    HB   VAL 100           HB       VAL 100  -7.325 -25.230  -7.291
  717   HG11  VAL 100          HG11      VAL 100  -7.248 -25.841  -9.652
  718   HG12  VAL 100          HG12      VAL 100  -5.865 -26.509  -8.788
  719   HG13  VAL 100          HG13      VAL 100  -5.664 -25.082  -9.808
  720   HG21  VAL 100          HG21      VAL 100  -5.621 -23.818  -6.294
  721   HG22  VAL 100          HG22      VAL 100  -4.705 -23.828  -7.801
  722   HG23  VAL 100          HG23      VAL 100  -4.906 -25.318  -6.883
  723    H    ASP 101           H        ASP 101  -8.333 -21.978 -10.197
  724    HA   ASP 101           HA       ASP 101  -9.909 -22.062 -11.798
  725    HB2  ASP 101           HB2      ASP 101  -9.085 -24.289 -12.391
  726    HB3  ASP 101           HB3      ASP 101 -10.102 -25.018 -11.158
  727    H    GLU 102           H        GLU 102 -10.731 -23.456  -8.771
  728    HA   GLU 102           HA       GLU 102 -13.544 -23.338  -8.959
  729    HB2  GLU 102           HB2      GLU 102 -12.366 -24.729  -7.322
  730    HB3  GLU 102           HB3      GLU 102 -11.787 -23.289  -6.504
  731    HG2  GLU 102           HG2      GLU 102 -14.115 -22.680  -5.974
  732    HG3  GLU 102           HG3      GLU 102 -14.659 -24.163  -6.755
  733    H    ASP 103           H        ASP 103 -11.166 -21.093  -7.576
  734    HA   ASP 103           HA       ASP 103 -11.288 -19.012  -6.744
  735    HB2  ASP 103           HB2      ASP 103 -13.357 -18.792  -8.932
  736    HB3  ASP 103           HB3      ASP 103 -13.031 -17.436  -7.860
  Start of MODEL    8
    1    H1   GLU   1           H1       GLU   1 -21.639   6.076   3.000
    2    H2   GLU   1           H2       GLU   1 -20.409   5.574   4.073
    3    H3   GLU   1           H3       GLU   1 -21.173   4.453   3.080
    4    HA   GLU   1           HA       GLU   1 -20.257   5.324   1.164
    5    HB2  GLU   1           HB2      GLU   1 -19.013   7.335   3.031
    6    HB3  GLU   1           HB3      GLU   1 -18.504   7.127   1.366
    7    HG2  GLU   1           HG2      GLU   1 -20.824   7.707   0.673
    8    HG3  GLU   1           HG3      GLU   1 -21.175   8.064   2.362
    9    H    GLU   2           H        GLU   2 -17.620   5.429   0.852
   10    HA   GLU   2           HA       GLU   2 -16.109   3.968   2.714
   11    HB2  GLU   2           HB2      GLU   2 -17.504   2.084   1.923
   12    HB3  GLU   2           HB3      GLU   2 -17.077   2.458   0.258
   13    HG2  GLU   2           HG2      GLU   2 -14.765   1.887   0.686
   14    HG3  GLU   2           HG3      GLU   2 -15.127   1.635   2.391
   15    H    ARG   3           H        ARG   3 -14.473   5.314   2.359
   16    HA   ARG   3           HA       ARG   3 -13.699   5.696  -0.425
   17    HB2  ARG   3           HB2      ARG   3 -13.447   7.583   1.895
   18    HB3  ARG   3           HB3      ARG   3 -12.621   7.831   0.357
   19    HG2  ARG   3           HG2      ARG   3 -14.665   8.025  -0.801
   20    HG3  ARG   3           HG3      ARG   3 -15.563   7.461   0.607
   21    HD2  ARG   3           HD2      ARG   3 -14.834   9.430   1.821
   22    HD3  ARG   3           HD3      ARG   3 -14.008  10.057   0.377
   23    HE   ARG   3           HE       ARG   3 -16.810   9.469   0.079
   24   HH11  ARG   3          HH11      ARG   3 -14.435  12.028   0.693
   25   HH12  ARG   3          HH12      ARG   3 -15.583  13.284   0.646
   26   HH21  ARG   3          HH21      ARG   3 -18.390  11.204   0.120
   27   HH22  ARG   3          HH22      ARG   3 -17.874  12.823   0.333
   28    H    GLU   4           H        GLU   4 -11.835   5.264  -0.973
   29    HA   GLU   4           HA       GLU   4  -9.857   4.394   1.017
   30    HB2  GLU   4           HB2      GLU   4 -10.164   2.973  -1.648
   31    HB3  GLU   4           HB3      GLU   4  -9.319   2.479  -0.221
   32    HG2  GLU   4           HG2      GLU   4 -11.382   2.168   1.029
   33    HG3  GLU   4           HG3      GLU   4 -12.309   2.682  -0.368
   34    H    ASP   5           H        ASP   5  -7.665   4.635   0.139
   35    HA   ASP   5           HA       ASP   5  -7.438   7.013  -1.537
   36    HB2  ASP   5           HB2      ASP   5  -5.776   6.066   0.433
   37    HB3  ASP   5           HB3      ASP   5  -5.026   5.364  -1.001
   38    H    CYS   6           H        CYS   6  -5.488   6.682  -3.309
   39    HA   CYS   6           HA       CYS   6  -6.782   4.670  -5.029
   40    HB2  CYS   6           HB2      CYS   6  -4.957   6.690  -6.212
   41    HB3  CYS   6           HB3      CYS   6  -6.331   5.857  -6.936
   42    H    TRP   7           H        TRP   7  -5.507   2.833  -4.776
   43    HA   TRP   7           HA       TRP   7  -2.643   3.300  -5.182
   44    HB2  TRP   7           HB2      TRP   7  -3.494   0.618  -4.103
   45    HB3  TRP   7           HB3      TRP   7  -2.131   1.623  -3.686
   46    HD1  TRP   7           HD1      TRP   7  -3.967   4.154  -2.693
   47    HE1  TRP   7           HE1      TRP   7  -5.229   3.939  -0.502
   48    HE3  TRP   7           HE3      TRP   7  -3.820  -0.876  -2.129
   49    HZ2  TRP   7           HZ2      TRP   7  -5.995   1.959   1.279
   50    HZ3  TRP   7           HZ3      TRP   7  -4.796  -1.852  -0.126
   51    HH2  TRP   7           HH2      TRP   7  -5.845  -0.467   1.547
   52    H    THR   8           H        THR   8  -1.790   2.509  -6.927
   53    HA   THR   8           HA       THR   8  -3.438   0.815  -8.646
   54    HB   THR   8           HB       THR   8  -2.700   2.946  -9.691
   55    HG1  THR   8           HG1      THR   8  -2.926   0.924 -10.929
   56   HG21  THR   8          HG21      THR   8  -0.342   3.291 -10.299
   57   HG22  THR   8          HG22      THR   8   0.095   1.822  -9.423
   58   HG23  THR   8          HG23      THR   8  -0.542   3.212  -8.548
   59    H    PHE   9           H        PHE   9  -2.762  -1.118  -9.377
   60    HA   PHE   9           HA       PHE   9  -0.803  -2.302  -7.665
   61    HB2  PHE   9           HB2      PHE   9  -3.077  -3.343  -8.365
   62    HB3  PHE   9           HB3      PHE   9  -2.169  -3.862  -9.811
   63    HD1  PHE   9           HD1      PHE   9  -1.776  -3.530  -6.308
   64    HD2  PHE   9           HD2      PHE   9  -1.071  -5.954  -9.639
   65    HE1  PHE   9           HE1      PHE   9  -0.642  -5.116  -4.837
   66    HE2  PHE   9           HE2      PHE   9   0.094  -7.606  -8.205
   67    HZ   PHE   9           HZ       PHE   9   0.309  -7.128  -5.738
   68    H    TYR  10           H        TYR  10   1.203  -2.684  -8.140
   69    HA   TYR  10           HA       TYR  10   1.992  -2.517 -10.927
   70    HB2  TYR  10           HB2      TYR  10   3.312  -1.171  -9.315
   71    HB3  TYR  10           HB3      TYR  10   3.751  -2.629  -8.437
   72    HD1  TYR  10           HD1      TYR  10   4.149  -0.856 -11.671
   73    HD2  TYR  10           HD2      TYR  10   5.551  -3.977  -9.153
   74    HE1  TYR  10           HE1      TYR  10   6.109  -1.151 -13.132
   75    HE2  TYR  10           HE2      TYR  10   7.506  -4.277 -10.604
   76    HH   TYR  10           HH       TYR  10   8.311  -2.071 -13.126
   77    H    ALA  11           H        ALA  11   2.743  -4.648  -8.112
   78    HA   ALA  11           HA       ALA  11   2.050  -7.054  -9.316
   79    HB1  ALA  11           HB1      ALA  11   5.024  -6.425  -9.390
   80    HB2  ALA  11           HB2      ALA  11   3.985  -6.633 -10.798
   81    HB3  ALA  11           HB3      ALA  11   4.294  -7.999  -9.729
   82    H    ASN  12           H        ASN  12   2.779  -8.910  -7.765
   83    HA   ASN  12           HA       ASN  12   2.897  -7.852  -5.101
   84    HB2  ASN  12           HB2      ASN  12   3.180 -10.641  -6.226
   85    HB3  ASN  12           HB3      ASN  12   3.240 -10.262  -4.493
   86   HD21  ASN  12          HD21      ASN  12   1.461 -11.422  -3.977
   87   HD22  ASN  12          HD22      ASN  12  -0.109 -10.917  -4.567
   88    H    ARG  13           H        ARG  13   4.811  -7.168  -4.337
   89    HA   ARG  13           HA       ARG  13   7.139  -8.740  -4.616
   90    HB2  ARG  13           HB2      ARG  13   8.527  -6.790  -5.463
   91    HB3  ARG  13           HB3      ARG  13   7.526  -7.629  -6.627
   92    HG2  ARG  13           HG2      ARG  13   5.837  -5.837  -6.405
   93    HG3  ARG  13           HG3      ARG  13   6.954  -4.970  -5.347
   94    HD2  ARG  13           HD2      ARG  13   7.066  -4.208  -7.695
   95    HD3  ARG  13           HD3      ARG  13   8.592  -4.856  -7.105
   96    HE   ARG  13           HE       ARG  13   6.894  -6.745  -8.471
   97   HH11  ARG  13          HH11      ARG  13   9.571  -4.456  -8.822
   98   HH12  ARG  13          HH12      ARG  13  10.189  -5.220 -10.228
   99   HH21  ARG  13          HH21      ARG  13   7.751  -7.737 -10.385
  100   HH22  ARG  13          HH22      ARG  13   9.131  -7.084 -11.138
  101    H    LYS  14           H        LYS  14   8.982  -7.909  -3.314
  102    HA   LYS  14           HA       LYS  14   8.381  -5.662  -1.585
  103    HB2  LYS  14           HB2      LYS  14   7.356  -7.753  -0.728
  104    HB3  LYS  14           HB3      LYS  14   9.012  -8.247  -0.432
  105    HG2  LYS  14           HG2      LYS  14   9.437  -6.611   1.045
  106    HG3  LYS  14           HG3      LYS  14   8.033  -5.629   0.605
  107    HD2  LYS  14           HD2      LYS  14   8.063  -8.384   1.533
  108    HD3  LYS  14           HD3      LYS  14   7.686  -7.056   2.722
  109    HE2  LYS  14           HE2      LYS  14   5.488  -7.326   2.024
  110    HE3  LYS  14           HE3      LYS  14   6.063  -6.935   0.384
  111    HZ1  LYS  14           HZ1      LYS  14   6.204  -9.673   1.550
  112    HZ2  LYS  14           HZ2      LYS  14   6.488  -9.279  -0.047
  113    HZ3  LYS  14           HZ3      LYS  14   4.937  -9.228   0.586
  114    H    TYR  15           H        TYR  15  10.264  -4.688  -0.912
  115    HA   TYR  15           HA       TYR  15  12.653  -5.975  -1.794
  116    HB2  TYR  15           HB2      TYR  15  12.349  -3.527  -2.168
  117    HB3  TYR  15           HB3      TYR  15  12.440  -3.283  -0.425
  118    HD1  TYR  15           HD1      TYR  15  14.335  -4.659  -3.297
  119    HD2  TYR  15           HD2      TYR  15  14.534  -3.008   0.613
  120    HE1  TYR  15           HE1      TYR  15  16.780  -4.601  -3.453
  121    HE2  TYR  15           HE2      TYR  15  16.982  -2.953   0.471
  122    HH   TYR  15           HH       TYR  15  18.604  -3.372  -2.464
  123    H    THR  16           H        THR  16  12.292  -7.723  -0.365
  124    HA   THR  16           HA       THR  16  13.123  -9.076   1.083
  125    HB   THR  16           HB       THR  16  15.187  -8.473   2.440
  126    HG1  THR  16           HG1      THR  16  14.515  -6.016   1.610
  127   HG21  THR  16          HG21      THR  16  15.292  -9.653   0.306
  128   HG22  THR  16          HG22      THR  16  16.630  -8.512   0.443
  129   HG23  THR  16          HG23      THR  16  15.233  -8.119  -0.560
  130    H    ASP  17           H        ASP  17  12.444  -6.029   2.812
  131    HA   ASP  17           HA       ASP  17  11.057  -7.538   4.814
  132    HB2  ASP  17           HB2      ASP  17  13.369  -7.764   5.630
  133    HB3  ASP  17           HB3      ASP  17  13.606  -6.034   5.503
  134    H    PHE  18           H        PHE  18  10.162  -6.034   6.402
  135    HA   PHE  18           HA       PHE  18   9.037  -3.697   5.066
  136    HB2  PHE  18           HB2      PHE  18   8.366  -5.090   7.663
  137    HB3  PHE  18           HB3      PHE  18   7.552  -3.632   7.109
  138    HD1  PHE  18           HD1      PHE  18   6.521  -3.736   4.791
  139    HD2  PHE  18           HD2      PHE  18   7.531  -7.175   7.051
  140    HE1  PHE  18           HE1      PHE  18   4.918  -5.042   3.478
  141    HE2  PHE  18           HE2      PHE  18   5.928  -8.508   5.733
  142    HZ   PHE  18           HZ       PHE  18   4.613  -7.409   3.928
  143    H    ASP  19           H        ASP  19  11.742  -3.566   5.834
  144    HA   ASP  19           HA       ASP  19  12.314  -2.307   8.282
  145    HB2  ASP  19           HB2      ASP  19  13.955  -3.355   6.678
  146    HB3  ASP  19           HB3      ASP  19  13.774  -1.928   5.666
  147    H    LYS  20           H        LYS  20  11.056  -1.137   5.316
  148    HA   LYS  20           HA       LYS  20  11.552   1.627   5.578
  149    HB2  LYS  20           HB2      LYS  20   9.502   0.136   3.961
  150    HB3  LYS  20           HB3      LYS  20   9.754   1.873   3.847
  151    HG2  LYS  20           HG2      LYS  20  11.921  -0.150   3.394
  152    HG3  LYS  20           HG3      LYS  20  10.922   0.512   2.096
  153    HD2  LYS  20           HD2      LYS  20  11.724   2.721   2.521
  154    HD3  LYS  20           HD3      LYS  20  12.562   2.220   3.982
  155    HE2  LYS  20           HE2      LYS  20  13.187   1.291   1.187
  156    HE3  LYS  20           HE3      LYS  20  14.085   2.527   2.073
  157    HZ1  LYS  20           HZ1      LYS  20  15.196   0.407   2.206
  158    HZ2  LYS  20           HZ2      LYS  20  13.833  -0.340   2.868
  159    HZ3  LYS  20           HZ3      LYS  20  14.663   0.862   3.716
  160    H    SER  21           H        SER  21   9.538  -0.229   7.442
  161    HA   SER  21           HA       SER  21   8.296   0.276   9.184
  162    HB2  SER  21           HB2      SER  21   8.663   3.191   8.503
  163    HB3  SER  21           HB3      SER  21   8.033   2.550  10.026
  164    HG   SER  21           HG       SER  21  10.449   1.568   9.074
  165    H    PHE  22           H        PHE  22   6.608  -0.783   8.548
  166    HA   PHE  22           HA       PHE  22   4.350   0.740   7.448
  167    HB2  PHE  22           HB2      PHE  22   5.061  -2.184   7.005
  168    HB3  PHE  22           HB3      PHE  22   3.545  -1.417   6.521
  169    HD1  PHE  22           HD1      PHE  22   5.830   1.036   5.895
  170    HD2  PHE  22           HD2      PHE  22   4.732  -2.801   4.494
  171    HE1  PHE  22           HE1      PHE  22   6.769   1.592   3.803
  172    HE2  PHE  22           HE2      PHE  22   5.714  -2.285   2.318
  173    HZ   PHE  22           HZ       PHE  22   6.734  -0.119   1.916
  174    H    LYS  23           H        LYS  23   2.434   0.290   8.625
  175    HA   LYS  23           HA       LYS  23   2.844  -1.401  10.999
  176    HB2  LYS  23           HB2      LYS  23   1.067   1.013  10.655
  177    HB3  LYS  23           HB3      LYS  23   0.841  -0.120  11.971
  178    HG2  LYS  23           HG2      LYS  23   2.037   1.828  12.736
  179    HG3  LYS  23           HG3      LYS  23   3.099   0.427  12.795
  180    HD2  LYS  23           HD2      LYS  23   4.195   1.162  10.749
  181    HD3  LYS  23           HD3      LYS  23   3.072   2.512  10.612
  182    HE2  LYS  23           HE2      LYS  23   5.225   3.224  11.519
  183    HE3  LYS  23           HE3      LYS  23   3.926   3.456  12.682
  184    HZ1  LYS  23           HZ1      LYS  23   5.953   2.546  13.649
  185    HZ2  LYS  23           HZ2      LYS  23   5.839   1.180  12.682
  186    HZ3  LYS  23           HZ3      LYS  23   4.661   1.476  13.853
  187    H    LYS  24           H        LYS  24   1.326  -2.906  11.569
  188    HA   LYS  24           HA       LYS  24  -0.870  -3.321   9.686
  189    HB2  LYS  24           HB2      LYS  24   0.758  -4.796   8.910
  190    HB3  LYS  24           HB3      LYS  24   1.192  -5.364  10.523
  191    HG2  LYS  24           HG2      LYS  24  -1.547  -5.840   9.337
  192    HG3  LYS  24           HG3      LYS  24  -0.190  -6.842   8.860
  193    HD2  LYS  24           HD2      LYS  24  -1.258  -6.501  11.667
  194    HD3  LYS  24           HD3      LYS  24  -1.536  -7.896  10.627
  195    HE2  LYS  24           HE2      LYS  24   0.959  -8.244  10.590
  196    HE3  LYS  24           HE3      LYS  24   1.091  -6.965  11.790
  197    HZ1  LYS  24           HZ1      LYS  24  -0.371  -8.302  13.243
  198    HZ2  LYS  24           HZ2      LYS  24   1.090  -9.070  12.884
  199    HZ3  LYS  24           HZ3      LYS  24  -0.318  -9.546  12.102
  200    H    SER  25           H        SER  25  -2.619  -3.419  10.707
  201    HA   SER  25           HA       SER  25  -3.040  -5.358  12.743
  202    HB2  SER  25           HB2      SER  25  -4.096  -2.488  12.948
  203    HB3  SER  25           HB3      SER  25  -4.430  -3.792  14.087
  204    HG   SER  25           HG       SER  25  -1.811  -3.548  13.866
  205    H    SER  26           H        SER  26  -5.014  -6.370  11.886
  206    HA   SER  26           HA       SER  26  -5.475  -5.022   9.398
  207    HB2  SER  26           HB2      SER  26  -5.981  -7.893  10.084
  208    HB3  SER  26           HB3      SER  26  -6.274  -7.148   8.507
  209    HG   SER  26           HG       SER  26  -3.960  -8.045   9.505
  210    H    ASP  27           H        ASP  27  -6.731  -3.686   9.576
  211    HA   ASP  27           HA       ASP  27  -9.661  -4.142   9.779
  212    HB2  ASP  27           HB2      ASP  27  -8.080  -1.687  10.283
  213    HB3  ASP  27           HB3      ASP  27  -9.818  -1.866  10.534
  214    H    LEU  28           H        LEU  28  -9.734  -4.584   7.652
  215    HA   LEU  28           HA       LEU  28  -7.928  -3.475   5.854
  216    HB2  LEU  28           HB2      LEU  28 -10.635  -4.704   5.389
  217    HB3  LEU  28           HB3      LEU  28  -9.723  -3.997   4.078
  218    HG   LEU  28           HG       LEU  28  -9.474  -6.422   4.119
  219   HD11  LEU  28          HD11      LEU  28  -7.637  -5.097   3.265
  220   HD12  LEU  28          HD12      LEU  28  -7.062  -6.574   4.033
  221   HD13  LEU  28          HD13      LEU  28  -6.916  -5.032   4.874
  222   HD21  LEU  28          HD21      LEU  28  -9.759  -6.798   6.526
  223   HD22  LEU  28          HD22      LEU  28  -8.190  -6.058   6.825
  224   HD23  LEU  28          HD23      LEU  28  -8.291  -7.570   5.919
  225    H    ASP  29           H        ASP  29 -11.177  -2.396   6.635
  226    HA   ASP  29           HA       ASP  29 -11.188  -0.088   5.106
  227    HB2  ASP  29           HB2      ASP  29 -12.512   0.639   7.153
  228    HB3  ASP  29           HB3      ASP  29 -13.226  -0.467   5.914
  229    H    GLU  30           H        GLU  30 -10.270  -0.494   8.547
  230    HA   GLU  30           HA       GLU  30  -9.649   2.177   8.785
  231    HB2  GLU  30           HB2      GLU  30  -8.665  -0.011  10.619
  232    HB3  GLU  30           HB3      GLU  30  -8.320   1.686  10.843
  233    HG2  GLU  30           HG2      GLU  30 -10.830   2.047  10.836
  234    HG3  GLU  30           HG3      GLU  30 -10.960   0.295  11.005
  235    H    CYS  31           H        CYS  31  -7.762  -0.338   7.709
  236    HA   CYS  31           HA       CYS  31  -5.305   1.051   7.777
  237    HB2  CYS  31           HB2      CYS  31  -6.200  -1.185   5.912
  238    HB3  CYS  31           HB3      CYS  31  -4.571  -0.482   5.826
  239    H    LYS  32           H        LYS  32  -7.884   1.272   5.415
  240    HA   LYS  32           HA       LYS  32  -6.455   2.889   3.500
  241    HB2  LYS  32           HB2      LYS  32  -9.428   2.596   4.055
  242    HB3  LYS  32           HB3      LYS  32  -8.779   3.712   2.885
  243    HG2  LYS  32           HG2      LYS  32  -9.657   1.548   2.022
  244    HG3  LYS  32           HG3      LYS  32  -8.057   2.058   1.490
  245    HD2  LYS  32           HD2      LYS  32  -7.070   0.595   3.143
  246    HD3  LYS  32           HD3      LYS  32  -8.644   0.141   3.734
  247    HE2  LYS  32           HE2      LYS  32  -9.333  -0.855   1.604
  248    HE3  LYS  32           HE3      LYS  32  -7.790  -0.458   0.874
  249    HZ1  LYS  32           HZ1      LYS  32  -6.701  -2.127   2.293
  250    HZ2  LYS  32           HZ2      LYS  32  -8.019  -2.803   1.540
  251    HZ3  LYS  32           HZ3      LYS  32  -8.113  -2.362   3.162
  252    H    LYS  33           H        LYS  33  -8.573   3.398   6.168
  253    HA   LYS  33           HA       LYS  33  -8.674   6.127   5.972
  254    HB2  LYS  33           HB2      LYS  33 -10.139   6.029   7.745
  255    HB3  LYS  33           HB3      LYS  33 -10.062   4.305   7.361
  256    HG2  LYS  33           HG2      LYS  33  -8.460   3.927   8.932
  257    HG3  LYS  33           HG3      LYS  33  -8.393   5.638   9.408
  258    HD2  LYS  33           HD2      LYS  33 -10.819   3.801   9.626
  259    HD3  LYS  33           HD3      LYS  33  -9.834   4.308  10.994
  260    HE2  LYS  33           HE2      LYS  33 -10.512   6.629  10.611
  261    HE3  LYS  33           HE3      LYS  33 -11.473   6.135   9.212
  262    HZ1  LYS  33           HZ1      LYS  33 -12.775   4.745  10.756
  263    HZ2  LYS  33           HZ2      LYS  33 -12.895   6.392  11.079
  264    HZ3  LYS  33           HZ3      LYS  33 -11.917   5.400  12.041
  265    H    THR  34           H        THR  34  -6.526   3.985   7.772
  266    HA   THR  34           HA       THR  34  -5.154   5.941   9.198
  267    HB   THR  34           HB       THR  34  -3.914   3.336   8.261
  268    HG1  THR  34           HG1      THR  34  -6.070   3.169   9.350
  269   HG21  THR  34          HG21      THR  34  -3.544   5.047  10.723
  270   HG22  THR  34          HG22      THR  34  -2.445   4.989   9.345
  271   HG23  THR  34          HG23      THR  34  -2.671   3.560  10.355
  272    H    CYS  35           H        CYS  35  -4.676   4.510   5.966
  273    HA   CYS  35           HA       CYS  35  -2.452   6.080   5.635
  274    HB2  CYS  35           HB2      CYS  35  -3.939   4.396   3.795
  275    HB3  CYS  35           HB3      CYS  35  -3.112   5.756   2.989
  276    H    PHE  36           H        PHE  36  -5.687   7.055   5.097
  277    HA   PHE  36           HA       PHE  36  -5.044   9.533   3.881
  278    HB2  PHE  36           HB2      PHE  36  -7.309   9.120   5.844
  279    HB3  PHE  36           HB3      PHE  36  -7.192  10.355   4.606
  280    HD1  PHE  36           HD1      PHE  36  -6.440   8.790   2.252
  281    HD2  PHE  36           HD2      PHE  36  -9.166   7.948   5.392
  282    HE1  PHE  36           HE1      PHE  36  -7.709   7.329   0.758
  283    HE2  PHE  36           HE2      PHE  36 -10.434   6.468   3.905
  284    HZ   PHE  36           HZ       PHE  36  -9.694   6.149   1.591
  285    H    LYS  37           H        LYS  37  -5.115   8.375   7.203
  286    HA   LYS  37           HA       LYS  37  -5.029  10.775   8.490
  287    HB2  LYS  37           HB2      LYS  37  -3.801   8.183   9.358
  288    HB3  LYS  37           HB3      LYS  37  -3.926   9.605  10.381
  289    HG2  LYS  37           HG2      LYS  37  -6.370   9.519  10.169
  290    HG3  LYS  37           HG3      LYS  37  -6.217   8.071   9.175
  291    HD2  LYS  37           HD2      LYS  37  -5.128   6.905  11.052
  292    HD3  LYS  37           HD3      LYS  37  -5.282   8.362  12.032
  293    HE2  LYS  37           HE2      LYS  37  -7.715   8.237  11.836
  294    HE3  LYS  37           HE3      LYS  37  -7.566   6.781  10.857
  295    HZ1  LYS  37           HZ1      LYS  37  -8.083   6.284  13.161
  296    HZ2  LYS  37           HZ2      LYS  37  -6.702   7.076  13.675
  297    HZ3  LYS  37           HZ3      LYS  37  -6.582   5.653  12.773
  298    H    THR  38           H        THR  38  -1.754   9.021   7.498
  299    HA   THR  38           HA       THR  38  -0.478  11.308   8.830
  300    HB   THR  38           HB       THR  38   0.860   9.701   6.683
  301    HG1  THR  38           HG1      THR  38  -0.317   8.695   9.060
  302   HG21  THR  38          HG21      THR  38   2.192  11.279   8.026
  303   HG22  THR  38          HG22      THR  38   2.678   9.618   8.349
  304   HG23  THR  38          HG23      THR  38   1.660  10.475   9.504
  305    H    GLU  39           H        GLU  39   1.414  12.428   6.746
  306    HA   GLU  39           HA       GLU  39  -0.015  12.883   4.314
  307    HB2  GLU  39           HB2      GLU  39   2.742  13.578   5.198
  308    HB3  GLU  39           HB3      GLU  39   2.414  13.474   3.483
  309    HG2  GLU  39           HG2      GLU  39   2.247  15.740   4.262
  310    HG3  GLU  39           HG3      GLU  39   0.694  15.159   3.678
  311    H    TYR  40           H        TYR  40   2.418  10.961   5.364
  312    HA   TYR  40           HA       TYR  40   3.431  10.085   2.947
  313    HB2  TYR  40           HB2      TYR  40   3.906   8.815   5.615
  314    HB3  TYR  40           HB3      TYR  40   4.912   8.751   4.171
  315    HD1  TYR  40           HD1      TYR  40   5.553  11.213   3.263
  316    HD2  TYR  40           HD2      TYR  40   4.628  10.204   7.283
  317    HE1  TYR  40           HE1      TYR  40   6.830  13.163   4.049
  318    HE2  TYR  40           HE2      TYR  40   5.892  12.149   8.075
  319    HH   TYR  40           HH       TYR  40   7.785  13.524   7.206
  320    H    CYS  41           H        CYS  41   0.960   8.864   4.868
  321    HA   CYS  41           HA       CYS  41   1.425   6.154   4.033
  322    HB2  CYS  41           HB2      CYS  41   0.375   6.906   6.222
  323    HB3  CYS  41           HB3      CYS  41  -1.085   7.207   5.283
  324    H    TYR  42           H        TYR  42   1.467   6.303   1.903
  325    HA   TYR  42           HA       TYR  42  -1.126   6.286   0.589
  326    HB2  TYR  42           HB2      TYR  42  -0.050   7.526  -1.386
  327    HB3  TYR  42           HB3      TYR  42  -0.458   8.474   0.033
  328    HD1  TYR  42           HD1      TYR  42   2.498   6.348  -0.672
  329    HD2  TYR  42           HD2      TYR  42   1.073  10.260   0.098
  330    HE1  TYR  42           HE1      TYR  42   4.786   7.136  -0.554
  331    HE2  TYR  42           HE2      TYR  42   3.403  11.069   0.233
  332    HH   TYR  42           HH       TYR  42   5.558  10.304   0.534
  333    H    ILE  43           H        ILE  43   1.429   4.482   1.334
  334    HA   ILE  43           HA       ILE  43   1.171   2.968  -1.184
  335    HB   ILE  43           HB       ILE  43   3.597   2.649   0.625
  336   HG12  ILE  43          HG12      ILE  43   3.752   4.962  -0.223
  337   HG13  ILE  43          HG13      ILE  43   4.972   3.909  -0.904
  338   HG21  ILE  43          HG21      ILE  43   4.584   1.560  -1.340
  339   HG22  ILE  43          HG22      ILE  43   3.079   1.835  -2.210
  340   HG23  ILE  43          HG23      ILE  43   3.092   0.795  -0.790
  341   HD11  ILE  43          HD11      ILE  43   2.458   4.652  -2.357
  342   HD12  ILE  43          HD12      ILE  43   3.866   3.770  -2.954
  343   HD13  ILE  43          HD13      ILE  43   4.014   5.482  -2.534
  344    H    VAL  44           H        VAL  44   0.523   0.834  -0.760
  345    HA   VAL  44           HA       VAL  44   0.573   0.139   2.062
  346    HB   VAL  44           HB       VAL  44  -1.724  -0.369   0.311
  347   HG11  VAL  44          HG11      VAL  44  -3.034  -0.722   2.409
  348   HG12  VAL  44          HG12      VAL  44  -1.536  -0.474   3.307
  349   HG13  VAL  44          HG13      VAL  44  -1.679  -1.833   2.194
  350   HG21  VAL  44          HG21      VAL  44  -3.041   1.442   1.439
  351   HG22  VAL  44          HG22      VAL  44  -1.750   1.977   0.372
  352   HG23  VAL  44          HG23      VAL  44  -1.514   2.024   2.125
  353    H    PHE  45           H        PHE  45   0.767  -2.041   2.395
  354    HA   PHE  45           HA       PHE  45   0.933  -3.706  -0.002
  355    HB2  PHE  45           HB2      PHE  45   2.654  -3.686   2.493
  356    HB3  PHE  45           HB3      PHE  45   2.536  -5.104   1.460
  357    HD1  PHE  45           HD1      PHE  45   3.241  -1.410   1.135
  358    HD2  PHE  45           HD2      PHE  45   4.157  -5.382  -0.094
  359    HE1  PHE  45           HE1      PHE  45   4.988  -0.540  -0.308
  360    HE2  PHE  45           HE2      PHE  45   5.933  -4.497  -1.558
  361    HZ   PHE  45           HZ       PHE  45   6.340  -2.040  -1.654
  362    H    GLU  46           H        GLU  46  -0.431  -5.339   0.096
  363    HA   GLU  46           HA       GLU  46  -1.560  -5.890   2.749
  364    HB2  GLU  46           HB2      GLU  46  -3.084  -5.867   0.172
  365    HB3  GLU  46           HB3      GLU  46  -3.804  -6.235   1.753
  366    HG2  GLU  46           HG2      GLU  46  -2.916  -3.794   2.361
  367    HG3  GLU  46           HG3      GLU  46  -2.887  -3.598   0.630
  368    H    ASP  47           H        ASP  47  -1.893  -7.929   3.298
  369    HA   ASP  47           HA       ASP  47  -0.297  -9.840   1.790
  370    HB2  ASP  47           HB2      ASP  47  -0.137  -9.663   4.285
  371    HB3  ASP  47           HB3      ASP  47  -1.797 -10.279   4.371
  372    H    THR  48           H        THR  48  -1.104 -11.253   0.485
  373    HA   THR  48           HA       THR  48  -3.955 -11.224   0.036
  374    HB   THR  48           HB       THR  48  -2.475 -11.009  -1.897
  375    HG1  THR  48           HG1      THR  48  -4.528 -12.335  -1.916
  376   HG21  THR  48          HG21      THR  48  -0.557 -12.299  -1.102
  377   HG22  THR  48          HG22      THR  48  -1.085 -12.883  -2.680
  378   HG23  THR  48          HG23      THR  48  -1.492 -13.788  -1.223
  379    H    VAL  49           H        VAL  49  -1.758 -13.256   1.727
  380    HA   VAL  49           HA       VAL  49  -3.291 -15.686   1.254
  381    HB   VAL  49           HB       VAL  49  -1.034 -15.179   3.215
  382   HG11  VAL  49          HG11      VAL  49  -2.226 -17.772   2.241
  383   HG12  VAL  49          HG12      VAL  49  -2.400 -17.084   3.853
  384   HG13  VAL  49          HG13      VAL  49  -0.821 -17.626   3.292
  385   HG21  VAL  49          HG21      VAL  49  -0.928 -16.426   0.467
  386   HG22  VAL  49          HG22      VAL  49   0.419 -16.328   1.600
  387   HG23  VAL  49          HG23      VAL  49  -0.270 -14.853   0.920
  388    H    ASN  50           H        ASN  50  -2.568 -13.460   3.752
  389    HA   ASN  50           HA       ASN  50  -4.419 -14.669   5.647
  390    HB2  ASN  50           HB2      ASN  50  -2.365 -12.515   5.795
  391    HB3  ASN  50           HB3      ASN  50  -3.300 -12.961   7.197
  392   HD21  ASN  50          HD21      ASN  50  -0.756 -13.746   5.035
  393   HD22  ASN  50          HD22      ASN  50  -0.139 -15.122   5.892
  394    H    LYS  51           H        LYS  51  -4.268 -12.034   3.450
  395    HA   LYS  51           HA       LYS  51  -5.490 -10.200   3.077
  396    HB2  LYS  51           HB2      LYS  51  -7.475 -11.956   4.426
  397    HB3  LYS  51           HB3      LYS  51  -7.861 -10.245   4.460
  398    HG2  LYS  51           HG2      LYS  51  -8.947 -11.349   2.583
  399    HG3  LYS  51           HG3      LYS  51  -7.783 -10.162   2.019
  400    HD2  LYS  51           HD2      LYS  51  -7.658 -12.128   0.637
  401    HD3  LYS  51           HD3      LYS  51  -6.186 -12.017   1.593
  402    HE2  LYS  51           HE2      LYS  51  -6.977 -13.714   3.101
  403    HE3  LYS  51           HE3      LYS  51  -8.553 -13.750   2.306
  404    HZ1  LYS  51           HZ1      LYS  51  -7.013 -15.577   1.654
  405    HZ2  LYS  51           HZ2      LYS  51  -6.001 -14.439   0.942
  406    HZ3  LYS  51           HZ3      LYS  51  -7.565 -14.669   0.356
  407    H    GLU  52           H        GLU  52  -3.592  -9.881   4.664
  408    HA   GLU  52           HA       GLU  52  -4.479  -8.355   7.049
  409    HB2  GLU  52           HB2      GLU  52  -1.701  -9.371   6.301
  410    HB3  GLU  52           HB3      GLU  52  -2.058  -8.428   7.724
  411    HG2  GLU  52           HG2      GLU  52  -3.260 -11.071   7.170
  412    HG3  GLU  52           HG3      GLU  52  -1.783 -10.853   8.118
  413    H    CYS  53           H        CYS  53  -3.217  -6.127   7.371
  414    HA   CYS  53           HA       CYS  53  -2.513  -5.151   4.763
  415    HB2  CYS  53           HB2      CYS  53  -3.799  -2.989   5.298
  416    HB3  CYS  53           HB3      CYS  53  -4.740  -4.392   4.786
  417    H    TYR  54           H        TYR  54  -0.728  -4.053   4.713
  418    HA   TYR  54           HA       TYR  54   0.260  -2.921   7.244
  419    HB2  TYR  54           HB2      TYR  54   1.734  -4.114   4.871
  420    HB3  TYR  54           HB3      TYR  54   2.519  -3.118   6.071
  421    HD1  TYR  54           HD1      TYR  54   0.272  -6.115   6.112
  422    HD2  TYR  54           HD2      TYR  54   3.851  -4.304   7.501
  423    HE1  TYR  54           HE1      TYR  54   0.828  -8.170   7.360
  424    HE2  TYR  54           HE2      TYR  54   4.408  -6.340   8.754
  425    HH   TYR  54           HH       TYR  54   2.795  -9.283   8.252
  426    H    TYR  55           H        TYR  55   0.413  -0.864   7.084
  427    HA   TYR  55           HA       TYR  55   0.289   0.271   4.397
  428    HB2  TYR  55           HB2      TYR  55  -0.864   2.320   5.513
  429    HB3  TYR  55           HB3      TYR  55  -1.736   0.821   5.379
  430    HD1  TYR  55           HD1      TYR  55   0.271   2.758   7.837
  431    HD2  TYR  55           HD2      TYR  55  -2.712  -0.192   7.198
  432    HE1  TYR  55           HE1      TYR  55  -0.198   2.720  10.237
  433    HE2  TYR  55           HE2      TYR  55  -3.201  -0.242   9.605
  434    HH   TYR  55           HH       TYR  55  -2.151   0.302  11.705
  435    H    ASN  56           H        ASN  56   1.702   1.525   3.646
  436    HA   ASN  56           HA       ASN  56   4.228   2.006   5.043
  437    HB2  ASN  56           HB2      ASN  56   4.393   1.715   2.671
  438    HB3  ASN  56           HB3      ASN  56   3.075   2.872   2.420
  439   HD21  ASN  56          HD21      ASN  56   3.519   5.017   2.392
  440   HD22  ASN  56          HD22      ASN  56   5.119   5.695   2.399
  441    H    VAL  57           H        VAL  57   4.729   3.484   6.328
  442    HA   VAL  57           HA       VAL  57   2.931   5.835   6.366
  443    HB   VAL  57           HB       VAL  57   3.402   6.191   8.732
  444   HG11  VAL  57          HG11      VAL  57   2.450   3.401   8.143
  445   HG12  VAL  57          HG12      VAL  57   1.470   4.868   8.130
  446   HG13  VAL  57          HG13      VAL  57   2.169   4.287   9.642
  447   HG21  VAL  57          HG21      VAL  57   4.975   3.620   8.596
  448   HG22  VAL  57          HG22      VAL  57   4.575   4.512  10.065
  449   HG23  VAL  57          HG23      VAL  57   5.641   5.233   8.856
  450    H    VAL  58           H        VAL  58   5.904   5.053   5.448
  451    HA   VAL  58           HA       VAL  58   6.968   7.745   6.147
  452    HB   VAL  58           HB       VAL  58   8.656   5.411   5.146
  453   HG11  VAL  58          HG11      VAL  58   9.429   7.973   6.527
  454   HG12  VAL  58          HG12      VAL  58   9.951   7.392   4.929
  455   HG13  VAL  58          HG13      VAL  58  10.495   6.592   6.383
  456   HG21  VAL  58          HG21      VAL  58   8.119   6.142   8.016
  457   HG22  VAL  58          HG22      VAL  58   9.319   4.970   7.469
  458   HG23  VAL  58          HG23      VAL  58   7.601   4.671   7.190
  459    H    ASP  59           H        ASP  59   8.716   8.148   4.201
  460    HA   ASP  59           HA       ASP  59   7.032   8.918   2.085
  461    HB2  ASP  59           HB2      ASP  59  10.044   9.012   2.293
  462    HB3  ASP  59           HB3      ASP  59   9.166   9.638   0.906
  463    H    GLY  60           H        GLY  60   6.185   7.448   0.960
  464    HA2  GLY  60           HA2      GLY  60   7.684   5.125   0.205
  465    HA3  GLY  60           HA3      GLY  60   5.925   5.242   0.214
  466    H    GLU  61           H        GLU  61   6.745   8.082  -1.011
  467    HA   GLU  61           HA       GLU  61   6.345   7.521  -3.731
  468    HB2  GLU  61           HB2      GLU  61   7.197   9.831  -4.096
  469    HB3  GLU  61           HB3      GLU  61   6.006   9.767  -2.806
  470    HG2  GLU  61           HG2      GLU  61   7.738   9.914  -1.135
  471    HG3  GLU  61           HG3      GLU  61   8.989   9.805  -2.368
  472    H    GLU  62           H        GLU  62   8.986   7.293  -1.646
  473    HA   GLU  62           HA       GLU  62  10.956   7.217  -3.692
  474    HB2  GLU  62           HB2      GLU  62  11.370   8.402  -1.594
  475    HB3  GLU  62           HB3      GLU  62  11.153   6.907  -0.704
  476    HG2  GLU  62           HG2      GLU  62  13.115   5.975  -1.808
  477    HG3  GLU  62           HG3      GLU  62  13.342   7.490  -2.682
  478    H    LEU  63           H        LEU  63   8.784   4.970  -2.236
  479    HA   LEU  63           HA       LEU  63  10.593   2.731  -2.362
  480    HB2  LEU  63           HB2      LEU  63   7.523   2.464  -2.568
  481    HB3  LEU  63           HB3      LEU  63   8.718   1.231  -2.302
  482    HG   LEU  63           HG       LEU  63   8.285   3.447  -0.350
  483   HD11  LEU  63          HD11      LEU  63   6.284   2.115  -0.501
  484   HD12  LEU  63          HD12      LEU  63   7.134   1.763   1.001
  485   HD13  LEU  63          HD13      LEU  63   7.225   0.631  -0.353
  486   HD21  LEU  63          HD21      LEU  63   9.537   1.967   1.145
  487   HD22  LEU  63          HD22      LEU  63  10.493   2.457  -0.253
  488   HD23  LEU  63          HD23      LEU  63   9.785   0.842  -0.191
  489    H    ASP  64           H        ASP  64  11.494   1.981  -3.994
  490    HA   ASP  64           HA       ASP  64  10.592   2.776  -6.644
  491    HB2  ASP  64           HB2      ASP  64  12.999   2.898  -5.394
  492    HB3  ASP  64           HB3      ASP  64  13.163   1.368  -6.234
  493    H    GLN  65           H        GLN  65   9.167   1.346  -7.383
  494    HA   GLN  65           HA       GLN  65   8.565  -1.256  -6.539
  495    HB2  GLN  65           HB2      GLN  65   7.988   0.171  -9.107
  496    HB3  GLN  65           HB3      GLN  65   7.430  -1.446  -8.793
  497    HG2  GLN  65           HG2      GLN  65   5.966   0.447  -8.563
  498    HG3  GLN  65           HG3      GLN  65   5.871  -0.734  -7.241
  499   HE21  GLN  65          HE21      GLN  65   6.787  -0.122  -5.206
  500   HE22  GLN  65          HE22      GLN  65   7.052   1.557  -4.803
  501    H    GLU  66           H        GLU  66  10.365  -0.169  -9.303
  502    HA   GLU  66           HA       GLU  66  10.500  -2.812 -10.359
  503    HB2  GLU  66           HB2      GLU  66  12.116  -0.498 -11.373
  504    HB3  GLU  66           HB3      GLU  66  11.455  -1.858 -12.273
  505    HG2  GLU  66           HG2      GLU  66   9.878  -0.289 -12.910
  506    HG3  GLU  66           HG3      GLU  66   9.145  -0.722 -11.356
  507    H    LYS  67           H        LYS  67  12.190  -1.309  -7.985
  508    HA   LYS  67           HA       LYS  67  14.600  -2.900  -8.470
  509    HB2  LYS  67           HB2      LYS  67  14.222  -0.470  -6.680
  510    HB3  LYS  67           HB3      LYS  67  15.710  -1.391  -6.806
  511    HG2  LYS  67           HG2      LYS  67  15.958   0.598  -8.124
  512    HG3  LYS  67           HG3      LYS  67  15.830  -0.768  -9.227
  513    HD2  LYS  67           HD2      LYS  67  13.372  -0.189  -9.510
  514    HD3  LYS  67           HD3      LYS  67  13.672   1.190  -8.491
  515    HE2  LYS  67           HE2      LYS  67  15.106   0.721 -11.074
  516    HE3  LYS  67           HE3      LYS  67  13.655   1.709 -10.886
  517    HZ1  LYS  67           HZ1      LYS  67  16.315   2.227  -9.635
  518    HZ2  LYS  67           HZ2      LYS  67  14.887   3.034  -9.246
  519    HZ3  LYS  67           HZ3      LYS  67  15.510   3.162 -10.793
  520    H    PHE  68           H        PHE  68  11.827  -3.161  -7.141
  521    HA   PHE  68           HA       PHE  68  12.347  -4.299  -4.569
  522    HB2  PHE  68           HB2      PHE  68   9.975  -3.707  -6.202
  523    HB3  PHE  68           HB3      PHE  68   9.844  -5.196  -5.256
  524    HD1  PHE  68           HD1      PHE  68  11.184  -1.748  -4.584
  525    HD2  PHE  68           HD2      PHE  68   8.500  -4.861  -3.336
  526    HE1  PHE  68           HE1      PHE  68  10.488  -0.432  -2.608
  527    HE2  PHE  68           HE2      PHE  68   7.860  -3.558  -1.454
  528    HZ   PHE  68           HZ       PHE  68   8.780  -1.406  -1.029
  529    H    VAL  69           H        VAL  69  11.951  -6.479  -4.062
  530    HA   VAL  69           HA       VAL  69  12.684  -8.407  -6.184
  531    HB   VAL  69           HB       VAL  69  13.192  -8.536  -3.168
  532   HG11  VAL  69          HG11      VAL  69  13.122 -10.709  -4.196
  533   HG12  VAL  69          HG12      VAL  69  14.765 -10.337  -3.667
  534   HG13  VAL  69          HG13      VAL  69  14.343 -10.229  -5.378
  535   HG21  VAL  69          HG21      VAL  69  15.172  -7.769  -5.300
  536   HG22  VAL  69          HG22      VAL  69  15.559  -8.052  -3.602
  537   HG23  VAL  69          HG23      VAL  69  14.509  -6.709  -4.058
  538    H    VAL  70           H        VAL  70  11.556 -10.627  -5.404
  539    HA   VAL  70           HA       VAL  70   8.928  -9.626  -4.656
  540    HB   VAL  70           HB       VAL  70   9.690 -12.051  -6.087
  541   HG11  VAL  70          HG11      VAL  70   6.899 -10.986  -5.510
  542   HG12  VAL  70          HG12      VAL  70   7.585 -12.487  -4.892
  543   HG13  VAL  70          HG13      VAL  70   7.225 -12.325  -6.611
  544   HG21  VAL  70          HG21      VAL  70  10.034 -10.114  -7.429
  545   HG22  VAL  70          HG22      VAL  70   8.421  -9.516  -7.057
  546   HG23  VAL  70          HG23      VAL  70   8.615 -10.959  -8.055
  547    H    ASP  71           H        ASP  71   8.327  -9.855  -2.596
  548    HA   ASP  71           HA       ASP  71   8.281 -12.620  -1.663
  549    HB2  ASP  71           HB2      ASP  71   8.143 -10.022  -0.119
  550    HB3  ASP  71           HB3      ASP  71   7.484 -11.511   0.570
  551    H    GLU  72           H        GLU  72   6.706 -13.555  -2.278
  552    HA   GLU  72           HA       GLU  72   4.679 -12.538  -3.917
  553    HB2  GLU  72           HB2      GLU  72   4.888 -15.206  -2.575
  554    HB3  GLU  72           HB3      GLU  72   3.910 -14.812  -3.980
  555    HG2  GLU  72           HG2      GLU  72   5.825 -14.504  -5.331
  556    HG3  GLU  72           HG3      GLU  72   6.894 -14.538  -3.930
  557    H    ASN  73           H        ASN  73   4.664 -13.093  -0.473
  558    HA   ASN  73           HA       ASN  73   1.945 -13.779  -0.231
  559    HB2  ASN  73           HB2      ASN  73   2.345 -13.440   2.185
  560    HB3  ASN  73           HB3      ASN  73   3.513 -14.501   1.410
  561   HD21  ASN  73          HD21      ASN  73   3.838 -13.133   3.844
  562   HD22  ASN  73          HD22      ASN  73   5.204 -12.076   3.598
  563    H    PHE  74           H        PHE  74   3.470 -10.755  -0.553
  564    HA   PHE  74           HA       PHE  74   0.942  -9.451   0.240
  565    HB2  PHE  74           HB2      PHE  74   3.706  -8.223   0.324
  566    HB3  PHE  74           HB3      PHE  74   2.220  -7.332   0.476
  567    HD1  PHE  74           HD1      PHE  74   4.184 -10.013   2.079
  568    HD2  PHE  74           HD2      PHE  74   1.112  -7.139   2.447
  569    HE1  PHE  74           HE1      PHE  74   4.092 -10.437   4.489
  570    HE2  PHE  74           HE2      PHE  74   1.016  -7.553   4.838
  571    HZ   PHE  74           HZ       PHE  74   2.497  -9.200   5.871
  572    H    THR  75           H        THR  75   0.466  -7.458  -0.906
  573    HA   THR  75           HA       THR  75   1.163  -7.691  -3.753
  574    HB   THR  75           HB       THR  75  -1.134  -6.773  -4.055
  575    HG1  THR  75           HG1      THR  75  -1.576  -7.231  -1.289
  576   HG21  THR  75          HG21      THR  75  -0.860  -9.208  -4.023
  577   HG22  THR  75          HG22      THR  75  -2.415  -8.731  -3.342
  578   HG23  THR  75          HG23      THR  75  -1.093  -9.209  -2.275
  579    H    GLU  76           H        GLU  76   2.064  -5.768  -4.627
  580    HA   GLU  76           HA       GLU  76   2.359  -3.696  -2.677
  581    HB2  GLU  76           HB2      GLU  76   4.474  -4.379  -3.572
  582    HB3  GLU  76           HB3      GLU  76   3.865  -4.329  -5.219
  583    HG2  GLU  76           HG2      GLU  76   3.604  -1.841  -4.939
  584    HG3  GLU  76           HG3      GLU  76   4.461  -2.006  -3.411
  585    H    ASN  77           H        ASN  77   1.094  -1.887  -2.924
  586    HA   ASN  77           HA       ASN  77   0.544  -1.111  -5.584
  587    HB2  ASN  77           HB2      ASN  77  -1.910  -1.363  -5.550
  588    HB3  ASN  77           HB3      ASN  77  -1.052  -2.742  -4.914
  589   HD21  ASN  77          HD21      ASN  77  -0.631  -2.059  -2.262
  590   HD22  ASN  77          HD22      ASN  77  -2.198  -2.027  -1.541
  591    H    TYR  78           H        TYR  78   0.270   0.949  -5.900
  592    HA   TYR  78           HA       TYR  78   0.702   2.589  -3.496
  593    HB2  TYR  78           HB2      TYR  78   2.682   3.625  -4.401
  594    HB3  TYR  78           HB3      TYR  78   2.883   1.875  -4.331
  595    HD1  TYR  78           HD1      TYR  78   1.791   0.958  -6.881
  596    HD2  TYR  78           HD2      TYR  78   4.003   4.468  -5.982
  597    HE1  TYR  78           HE1      TYR  78   2.584   1.038  -9.203
  598    HE2  TYR  78           HE2      TYR  78   4.785   4.577  -8.317
  599    HH   TYR  78           HH       TYR  78   5.136   2.876 -10.183
  600    H    LEU  79           H        LEU  79   0.258   4.769  -3.571
  601    HA   LEU  79           HA       LEU  79  -1.868   5.595  -5.146
  602    HB2  LEU  79           HB2      LEU  79  -1.558   6.524  -2.986
  603    HB3  LEU  79           HB3      LEU  79   0.033   7.118  -3.409
  604    HG   LEU  79           HG       LEU  79  -0.958   8.788  -4.902
  605   HD11  LEU  79          HD11      LEU  79  -2.941   7.612  -5.601
  606   HD12  LEU  79          HD12      LEU  79  -3.362   9.183  -4.917
  607   HD13  LEU  79          HD13      LEU  79  -3.601   7.714  -3.971
  608   HD21  LEU  79          HD21      LEU  79  -2.131   8.783  -2.131
  609   HD22  LEU  79          HD22      LEU  79  -2.012  10.189  -3.186
  610   HD23  LEU  79          HD23      LEU  79  -0.549   9.405  -2.602
  611    H    THR  80           H        THR  80  -1.973   6.209  -7.127
  612    HA   THR  80           HA       THR  80   0.072   8.017  -8.138
  613    HB   THR  80           HB       THR  80  -1.347   5.866  -9.746
  614    HG1  THR  80           HG1      THR  80   0.865   5.874  -8.264
  615   HG21  THR  80          HG21      THR  80   0.106   6.574 -11.594
  616   HG22  THR  80          HG22      THR  80   0.776   7.860 -10.591
  617   HG23  THR  80          HG23      THR  80  -0.920   7.910 -11.072
  618    H    ASP  81           H        ASP  81  -0.716   9.955  -8.916
  619    HA   ASP  81           HA       ASP  81  -1.938  11.411 -10.077
  620    HB2  ASP  81           HB2      ASP  81  -2.881   9.754 -11.567
  621    HB3  ASP  81           HB3      ASP  81  -4.054   9.269 -10.351
  622    H    CYS  82           H        CYS  82  -4.438   9.755  -8.185
  623    HA   CYS  82           HA       CYS  82  -5.339  12.336  -7.387
  624    HB2  CYS  82           HB2      CYS  82  -6.988  10.724  -5.973
  625    HB3  CYS  82           HB3      CYS  82  -7.270  11.192  -7.645
  626    H    GLU  83           H        GLU  83  -3.424  12.910  -6.363
  627    HA   GLU  83           HA       GLU  83  -2.659  11.839  -3.872
  628    HB2  GLU  83           HB2      GLU  83  -1.266  13.399  -5.247
  629    HB3  GLU  83           HB3      GLU  83  -2.342  14.707  -4.781
  630    HG2  GLU  83           HG2      GLU  83  -1.697  14.489  -2.474
  631    HG3  GLU  83           HG3      GLU  83  -0.736  13.058  -2.842
  632    H    GLY  84           H        GLY  84  -5.078  14.129  -4.834
  633    HA2  GLY  84           HA2      GLY  84  -6.068  14.211  -2.070
  634    HA3  GLY  84           HA3      GLY  84  -6.449  15.404  -3.315
  635    H    LYS  85           H        LYS  85  -8.085  13.234  -1.713
  636    HA   LYS  85           HA       LYS  85  -9.528  12.503  -4.091
  637    HB2  LYS  85           HB2      LYS  85  -9.945  10.170  -3.416
  638    HB3  LYS  85           HB3      LYS  85  -8.256  10.476  -3.723
  639    HG2  LYS  85           HG2      LYS  85  -9.509  10.254  -0.973
  640    HG3  LYS  85           HG3      LYS  85  -8.687   8.940  -1.800
  641    HD2  LYS  85           HD2      LYS  85  -7.482  11.541  -0.841
  642    HD3  LYS  85           HD3      LYS  85  -7.210   9.936  -0.159
  643    HE2  LYS  85           HE2      LYS  85  -6.278   9.273  -2.406
  644    HE3  LYS  85           HE3      LYS  85  -6.354  10.977  -2.850
  645    HZ1  LYS  85           HZ1      LYS  85  -4.191  10.272  -2.081
  646    HZ2  LYS  85           HZ2      LYS  85  -4.827   9.809  -0.613
  647    HZ3  LYS  85           HZ3      LYS  85  -4.785  11.475  -1.040
  648    H    ASP  86           H        ASP  86 -10.909  14.068  -3.603
  649    HA   ASP  86           HA       ASP  86 -12.623  13.877  -1.287
  650    HB2  ASP  86           HB2      ASP  86 -12.233  16.063  -2.352
  651    HB3  ASP  86           HB3      ASP  86 -12.926  15.461  -3.852
  652    H    ALA  87           H        ALA  87 -12.895  13.357  -4.750
  653    HA   ALA  87           HA       ALA  87 -14.918  11.323  -4.214
  654    HB1  ALA  87           HB1      ALA  87 -14.654  13.090  -6.663
  655    HB2  ALA  87           HB2      ALA  87 -15.909  13.227  -5.431
  656    HB3  ALA  87           HB3      ALA  87 -15.828  11.795  -6.457
  657    H    GLY  88           H        GLY  88 -13.823   9.473  -4.328
  658    HA2  GLY  88           HA2      GLY  88 -12.940   8.255  -6.481
  659    HA3  GLY  88           HA3      GLY  88 -11.538   9.234  -6.047
  660    H    ASN  89           H        ASN  89 -11.529   6.458  -6.098
  661    HA   ASN  89           HA       ASN  89 -10.323   5.824  -3.656
  662    HB2  ASN  89           HB2      ASN  89 -11.863   4.250  -2.688
  663    HB3  ASN  89           HB3      ASN  89 -12.836   5.680  -3.003
  664   HD21  ASN  89          HD21      ASN  89 -14.249   5.631  -4.806
  665   HD22  ASN  89          HD22      ASN  89 -14.788   4.116  -5.463
  666    H    ALA  90           H        ALA  90  -9.124   3.893  -4.019
  667    HA   ALA  90           HA       ALA  90  -9.988   2.048  -5.968
  668    HB1  ALA  90           HB1      ALA  90  -7.514   3.638  -6.703
  669    HB2  ALA  90           HB2      ALA  90  -9.091   3.793  -7.471
  670    HB3  ALA  90           HB3      ALA  90  -8.198   2.280  -7.601
  671    H    ALA  91           H        ALA  91  -9.649   0.540  -4.283
  672    HA   ALA  91           HA       ALA  91  -6.926   0.250  -3.323
  673    HB1  ALA  91           HB1      ALA  91  -7.806  -1.597  -1.962
  674    HB2  ALA  91           HB2      ALA  91  -9.364  -1.462  -2.766
  675    HB3  ALA  91           HB3      ALA  91  -8.786  -0.149  -1.735
  676    H    GLY  92           H        GLY  92  -5.642  -0.469  -4.860
  677    HA2  GLY  92           HA2      GLY  92  -6.672  -2.278  -6.880
  678    HA3  GLY  92           HA3      GLY  92  -5.142  -1.419  -6.916
  679    H    THR  93           H        THR  93  -6.089  -3.201  -4.102
  680    HA   THR  93           HA       THR  93  -3.862  -4.620  -3.659
  681    HB   THR  93           HB       THR  93  -6.654  -5.621  -3.163
  682    HG1  THR  93           HG1      THR  93  -5.830  -4.042  -1.168
  683   HG21  THR  93          HG21      THR  93  -4.814  -7.061  -2.405
  684   HG22  THR  93          HG22      THR  93  -5.644  -6.347  -1.020
  685   HG23  THR  93          HG23      THR  93  -4.092  -5.695  -1.557
  686    H    GLY  94           H        GLY  94  -2.835  -6.149  -4.935
  687    HA2  GLY  94           HA2      GLY  94  -4.193  -7.527  -7.069
  688    HA3  GLY  94           HA3      GLY  94  -2.523  -7.758  -6.581
  689    H    ASP  95           H        ASP  95  -5.576  -8.207  -4.948
  690    HA   ASP  95           HA       ASP  95  -4.791 -10.909  -4.091
  691    HB2  ASP  95           HB2      ASP  95  -5.230  -9.303  -2.276
  692    HB3  ASP  95           HB3      ASP  95  -6.805  -8.933  -2.968
  693    H    GLU  96           H        GLU  96  -6.579 -12.515  -4.134
  694    HA   GLU  96           HA       GLU  96  -8.042 -12.264  -6.566
  695    HB2  GLU  96           HB2      GLU  96  -7.918 -14.491  -4.549
  696    HB3  GLU  96           HB3      GLU  96  -9.006 -14.530  -5.920
  697    HG2  GLU  96           HG2      GLU  96  -7.101 -15.820  -6.459
  698    HG3  GLU  96           HG3      GLU  96  -7.031 -14.347  -7.410
  699    H    SER  97           H        SER  97  -9.262 -10.412  -5.945
  700    HA   SER  97           HA       SER  97 -11.643 -11.114  -4.439
  701    HB2  SER  97           HB2      SER  97 -12.022  -8.594  -4.562
  702    HB3  SER  97           HB3      SER  97 -10.630  -9.107  -3.608
  703    HG   SER  97           HG       SER  97 -10.278  -7.334  -5.093
  704    H    ASP  98           H        ASP  98 -13.401 -11.616  -5.580
  705    HA   ASP  98           HA       ASP  98 -13.309 -11.363  -8.497
  706    HB2  ASP  98           HB2      ASP  98 -15.563 -12.504  -6.823
  707    HB3  ASP  98           HB3      ASP  98 -15.346 -12.689  -8.554
  708    H    GLU  99           H        GLU  99 -14.879 -10.099  -5.760
  709    HA   GLU  99           HA       GLU  99 -15.928  -8.140  -5.330
  710    HB2  GLU  99           HB2      GLU  99 -15.450  -7.457  -8.228
  711    HB3  GLU  99           HB3      GLU  99 -16.104  -6.352  -7.032
  712    HG2  GLU  99           HG2      GLU  99 -14.025  -6.475  -5.773
  713    HG3  GLU  99           HG3      GLU  99 -13.373  -7.614  -6.956
  714    H    VAL 100           H        VAL 100 -17.216 -10.573  -6.735
  715    HA   VAL 100           HA       VAL 100 -19.610  -9.479  -7.879
  716    HB   VAL 100           HB       VAL 100 -19.176 -12.287  -6.777
  717   HG11  VAL 100          HG11      VAL 100 -21.530 -11.744  -7.055
  718   HG12  VAL 100          HG12      VAL 100 -21.021 -12.943  -8.244
  719   HG13  VAL 100          HG13      VAL 100 -21.235 -11.259  -8.724
  720   HG21  VAL 100          HG21      VAL 100 -18.699 -12.956  -9.089
  721   HG22  VAL 100          HG22      VAL 100 -17.529 -11.767  -8.512
  722   HG23  VAL 100          HG23      VAL 100 -18.826 -11.273  -9.601
  723    H    ASP 101           H        ASP 101 -18.933 -11.207  -4.884
  724    HA   ASP 101           HA       ASP 101 -21.139  -9.765  -3.566
  725    HB2  ASP 101           HB2      ASP 101 -21.213 -12.323  -3.633
  726    HB3  ASP 101           HB3      ASP 101 -19.731 -12.324  -2.688
  727    H    GLU 102           H        GLU 102 -18.865  -8.471  -4.140
  728    HA   GLU 102           HA       GLU 102 -16.871  -7.655  -3.549
  729    HB2  GLU 102           HB2      GLU 102 -16.886  -6.279  -1.398
  730    HB3  GLU 102           HB3      GLU 102 -18.116  -5.910  -2.581
  731    HG2  GLU 102           HG2      GLU 102 -18.715  -7.685  -0.233
  732    HG3  GLU 102           HG3      GLU 102 -18.725  -5.933  -0.072
  733    H    ASP 103           H        ASP 103 -16.082  -9.913  -3.601
  734    HA   ASP 103           HA       ASP 103 -14.193 -10.283  -1.563
  735    HB2  ASP 103           HB2      ASP 103 -16.182 -11.350  -0.490
  736    HB3  ASP 103           HB3      ASP 103 -16.440 -12.301  -1.946
  Start of MODEL    9
    1    H1   GLU   1           H1       GLU   1 -11.462  14.004   3.310
    2    H2   GLU   1           H2       GLU   1 -10.973  12.609   4.148
    3    H3   GLU   1           H3       GLU   1 -12.596  13.019   4.128
    4    HA   GLU   1           HA       GLU   1 -12.667  12.612   1.764
    5    HB2  GLU   1           HB2      GLU   1  -9.809  11.644   2.216
    6    HB3  GLU   1           HB3      GLU   1 -10.744  11.342   0.769
    7    HG2  GLU   1           HG2      GLU   1  -9.121  13.118   0.409
    8    HG3  GLU   1           HG3      GLU   1 -10.764  13.736   0.266
    9    H    GLU   2           H        GLU   2 -14.175  11.107   2.156
   10    HA   GLU   2           HA       GLU   2 -13.348   8.847   3.809
   11    HB2  GLU   2           HB2      GLU   2 -16.045  10.227   3.626
   12    HB3  GLU   2           HB3      GLU   2 -15.858   8.634   4.329
   13    HG2  GLU   2           HG2      GLU   2 -15.989  10.315   6.077
   14    HG3  GLU   2           HG3      GLU   2 -14.394   9.585   6.065
   15    H    ARG   3           H        ARG   3 -12.542   8.380   1.666
   16    HA   ARG   3           HA       ARG   3 -14.228   6.627   0.160
   17    HB2  ARG   3           HB2      ARG   3 -14.749   9.026  -0.540
   18    HB3  ARG   3           HB3      ARG   3 -13.088   9.127  -1.068
   19    HG2  ARG   3           HG2      ARG   3 -13.474   7.452  -2.743
   20    HG3  ARG   3           HG3      ARG   3 -15.139   7.230  -2.168
   21    HD2  ARG   3           HD2      ARG   3 -15.456   9.664  -2.481
   22    HD3  ARG   3           HD3      ARG   3 -13.908   9.720  -3.282
   23    HE   ARG   3           HE       ARG   3 -15.370   7.766  -4.599
   24   HH11  ARG   3          HH11      ARG   3 -15.608  11.255  -4.077
   25   HH12  ARG   3          HH12      ARG   3 -16.351  11.573  -5.581
   26   HH21  ARG   3          HH21      ARG   3 -16.414   8.229  -6.687
   27   HH22  ARG   3          HH22      ARG   3 -16.804   9.827  -7.081
   28    H    GLU   4           H        GLU   4 -12.771   5.104  -0.392
   29    HA   GLU   4           HA       GLU   4 -10.158   5.197   0.491
   30    HB2  GLU   4           HB2      GLU   4 -10.768   3.223  -1.701
   31    HB3  GLU   4           HB3      GLU   4  -9.794   3.139  -0.319
   32    HG2  GLU   4           HG2      GLU   4 -11.581   1.707   0.194
   33    HG3  GLU   4           HG3      GLU   4 -11.764   3.145   1.185
   34    H    ASP   5           H        ASP   5  -8.347   5.723  -0.177
   35    HA   ASP   5           HA       ASP   5  -7.895   7.399  -2.391
   36    HB2  ASP   5           HB2      ASP   5  -6.556   7.563  -0.388
   37    HB3  ASP   5           HB3      ASP   5  -5.967   5.930  -0.555
   38    H    CYS   6           H        CYS   6  -6.122   6.909  -4.075
   39    HA   CYS   6           HA       CYS   6  -7.004   4.409  -5.320
   40    HB2  CYS   6           HB2      CYS   6  -5.499   6.430  -6.852
   41    HB3  CYS   6           HB3      CYS   6  -6.755   5.311  -7.388
   42    H    TRP   7           H        TRP   7  -5.561   2.906  -4.786
   43    HA   TRP   7           HA       TRP   7  -2.764   3.611  -5.105
   44    HB2  TRP   7           HB2      TRP   7  -3.589   0.871  -4.078
   45    HB3  TRP   7           HB3      TRP   7  -2.228   1.881  -3.634
   46    HD1  TRP   7           HD1      TRP   7  -4.028   4.467  -2.847
   47    HE1  TRP   7           HE1      TRP   7  -5.395   4.431  -0.771
   48    HE3  TRP   7           HE3      TRP   7  -4.007  -0.541  -2.050
   49    HZ2  TRP   7           HZ2      TRP   7  -6.358   2.505   1.084
   50    HZ3  TRP   7           HZ3      TRP   7  -5.122  -1.412  -0.045
   51    HH2  TRP   7           HH2      TRP   7  -6.243   0.077   1.500
   52    H    THR   8           H        THR   8  -1.660   2.774  -6.782
   53    HA   THR   8           HA       THR   8  -3.210   1.245  -8.671
   54    HB   THR   8           HB       THR   8  -1.440   1.914 -10.221
   55    HG1  THR   8           HG1      THR   8  -0.176   2.668  -7.895
   56   HG21  THR   8          HG21      THR   8  -3.400   3.353  -9.957
   57   HG22  THR   8          HG22      THR   8  -1.950   4.317 -10.291
   58   HG23  THR   8          HG23      THR   8  -2.572   4.192  -8.642
   59    H    PHE   9           H        PHE   9  -2.579  -0.778  -9.224
   60    HA   PHE   9           HA       PHE   9  -0.640  -1.923  -7.407
   61    HB2  PHE   9           HB2      PHE   9  -3.050  -2.781  -7.686
   62    HB3  PHE   9           HB3      PHE   9  -2.460  -3.467  -9.220
   63    HD1  PHE   9           HD1      PHE   9  -1.662  -3.199  -5.701
   64    HD2  PHE   9           HD2      PHE   9  -1.437  -5.569  -9.183
   65    HE1  PHE   9           HE1      PHE   9  -0.641  -4.954  -4.393
   66    HE2  PHE   9           HE2      PHE   9  -0.384  -7.379  -7.875
   67    HZ   PHE   9           HZ       PHE   9   0.015  -7.014  -5.414
   68    H    TYR  10           H        TYR  10   1.233  -2.826  -8.130
   69    HA   TYR  10           HA       TYR  10   1.553  -2.717 -11.006
   70    HB2  TYR  10           HB2      TYR  10   3.122  -1.354  -9.688
   71    HB3  TYR  10           HB3      TYR  10   3.671  -2.789  -8.845
   72    HD1  TYR  10           HD1      TYR  10   3.487  -1.217 -12.200
   73    HD2  TYR  10           HD2      TYR  10   5.462  -4.052  -9.721
   74    HE1  TYR  10           HE1      TYR  10   5.210  -1.494 -13.908
   75    HE2  TYR  10           HE2      TYR  10   7.201  -4.333 -11.431
   76    HH   TYR  10           HH       TYR  10   7.433  -2.221 -14.137
   77    H    ALA  11           H        ALA  11   2.565  -4.846  -8.239
   78    HA   ALA  11           HA       ALA  11   1.795  -7.207  -9.622
   79    HB1  ALA  11           HB1      ALA  11   4.079  -8.129  -9.925
   80    HB2  ALA  11           HB2      ALA  11   4.754  -6.559  -9.482
   81    HB3  ALA  11           HB3      ALA  11   3.802  -6.725 -10.953
   82    H    ASN  12           H        ASN  12   2.525  -9.177  -8.157
   83    HA   ASN  12           HA       ASN  12   2.688  -7.980  -5.464
   84    HB2  ASN  12           HB2      ASN  12   2.761 -10.904  -6.348
   85    HB3  ASN  12           HB3      ASN  12   2.861 -10.380  -4.659
   86   HD21  ASN  12          HD21      ASN  12   0.712  -8.900  -6.993
   87   HD22  ASN  12          HD22      ASN  12  -0.758  -9.529  -6.299
   88    H    ARG  13           H        ARG  13   4.595  -7.255  -4.914
   89    HA   ARG  13           HA       ARG  13   6.997  -8.746  -5.301
   90    HB2  ARG  13           HB2      ARG  13   6.682  -6.017  -6.556
   91    HB3  ARG  13           HB3      ARG  13   8.222  -6.815  -6.302
   92    HG2  ARG  13           HG2      ARG  13   7.559  -8.608  -7.810
   93    HG3  ARG  13           HG3      ARG  13   6.013  -7.808  -8.084
   94    HD2  ARG  13           HD2      ARG  13   7.210  -5.869  -9.008
   95    HD3  ARG  13           HD3      ARG  13   8.743  -6.714  -8.766
   96    HE   ARG  13           HE       ARG  13   7.037  -8.359 -10.224
   97   HH11  ARG  13          HH11      ARG  13   8.921  -5.401 -10.678
   98   HH12  ARG  13          HH12      ARG  13   9.033  -5.544 -12.367
   99   HH21  ARG  13          HH21      ARG  13   7.119  -8.549 -12.529
  100   HH22  ARG  13          HH22      ARG  13   7.960  -7.406 -13.469
  101    H    LYS  14           H        LYS  14   8.796  -7.649  -4.216
  102    HA   LYS  14           HA       LYS  14   8.161  -5.418  -2.530
  103    HB2  LYS  14           HB2      LYS  14   7.208  -7.483  -1.577
  104    HB3  LYS  14           HB3      LYS  14   8.868  -7.972  -1.317
  105    HG2  LYS  14           HG2      LYS  14   9.207  -6.483   0.284
  106    HG3  LYS  14           HG3      LYS  14   7.944  -5.375  -0.271
  107    HD2  LYS  14           HD2      LYS  14   7.373  -8.135   0.378
  108    HD3  LYS  14           HD3      LYS  14   7.418  -6.991   1.788
  109    HE2  LYS  14           HE2      LYS  14   5.113  -7.014   1.189
  110    HE3  LYS  14           HE3      LYS  14   5.722  -5.739   0.133
  111    HZ1  LYS  14           HZ1      LYS  14   5.490  -8.558  -0.742
  112    HZ2  LYS  14           HZ2      LYS  14   5.662  -7.211  -1.765
  113    HZ3  LYS  14           HZ3      LYS  14   4.230  -7.471  -0.932
  114    H    TYR  15           H        TYR  15  10.026  -4.320  -2.220
  115    HA   TYR  15           HA       TYR  15  12.510  -5.799  -2.268
  116    HB2  TYR  15           HB2      TYR  15  12.389  -3.416  -3.125
  117    HB3  TYR  15           HB3      TYR  15  11.895  -2.902  -1.525
  118    HD1  TYR  15           HD1      TYR  15  13.576  -2.843   0.312
  119    HD2  TYR  15           HD2      TYR  15  14.672  -3.978  -3.640
  120    HE1  TYR  15           HE1      TYR  15  15.950  -2.553   0.891
  121    HE2  TYR  15           HE2      TYR  15  17.042  -3.693  -3.072
  122    HH   TYR  15           HH       TYR  15  18.405  -2.445  -1.434
  123    H    THR  16           H        THR  16  12.435  -7.168  -0.614
  124    HA   THR  16           HA       THR  16  10.782  -6.954   1.561
  125    HB   THR  16           HB       THR  16  12.149  -9.010   2.323
  126    HG1  THR  16           HG1      THR  16  13.999  -8.588   1.033
  127   HG21  THR  16          HG21      THR  16  10.761  -8.944  -0.365
  128   HG22  THR  16          HG22      THR  16   9.950  -9.097   1.194
  129   HG23  THR  16          HG23      THR  16  11.014 -10.385   0.622
  130    H    ASP  17           H        ASP  17  11.570  -4.845   2.118
  131    HA   ASP  17           HA       ASP  17  13.343  -5.073   4.454
  132    HB2  ASP  17           HB2      ASP  17  14.310  -3.700   2.579
  133    HB3  ASP  17           HB3      ASP  17  12.933  -2.618   2.746
  134    H    PHE  18           H        PHE  18  11.905  -5.159   6.079
  135    HA   PHE  18           HA       PHE  18   9.586  -3.406   5.977
  136    HB2  PHE  18           HB2      PHE  18  10.182  -5.880   7.560
  137    HB3  PHE  18           HB3      PHE  18   8.936  -4.763   8.115
  138    HD1  PHE  18           HD1      PHE  18   9.964  -6.818   5.192
  139    HD2  PHE  18           HD2      PHE  18   6.824  -4.775   7.182
  140    HE1  PHE  18           HE1      PHE  18   8.340  -7.778   3.603
  141    HE2  PHE  18           HE2      PHE  18   5.188  -5.720   5.599
  142    HZ   PHE  18           HZ       PHE  18   5.941  -7.219   3.810
  143    H    ASP  19           H        ASP  19  12.470  -2.836   6.655
  144    HA   ASP  19           HA       ASP  19  12.408  -1.745   9.312
  145    HB2  ASP  19           HB2      ASP  19  14.526  -2.494   8.365
  146    HB3  ASP  19           HB3      ASP  19  14.338  -1.402   7.003
  147    H    LYS  20           H        LYS  20  11.467  -0.875   6.210
  148    HA   LYS  20           HA       LYS  20  11.628   1.899   6.172
  149    HB2  LYS  20           HB2      LYS  20   9.505   0.196   4.863
  150    HB3  LYS  20           HB3      LYS  20   9.949   1.834   4.406
  151    HG2  LYS  20           HG2      LYS  20  11.725  -0.591   4.234
  152    HG3  LYS  20           HG3      LYS  20  10.902   0.153   2.872
  153    HD2  LYS  20           HD2      LYS  20  12.212   2.218   3.249
  154    HD3  LYS  20           HD3      LYS  20  13.012   1.456   4.622
  155    HE2  LYS  20           HE2      LYS  20  13.838  -0.312   3.053
  156    HE3  LYS  20           HE3      LYS  20  13.171   0.628   1.725
  157    HZ1  LYS  20           HZ1      LYS  20  15.263   1.547   3.615
  158    HZ2  LYS  20           HZ2      LYS  20  14.677   2.453   2.320
  159    HZ3  LYS  20           HZ3      LYS  20  15.535   1.038   2.033
  160    H    SER  21           H        SER  21   9.623  -0.064   8.079
  161    HA   SER  21           HA       SER  21   8.337   0.377   9.823
  162    HB2  SER  21           HB2      SER  21   8.575   3.273   9.115
  163    HB3  SER  21           HB3      SER  21   7.842   2.633  10.592
  164    HG   SER  21           HG       SER  21  10.431   1.841   9.837
  165    H    PHE  22           H        PHE  22   6.645  -0.666   9.409
  166    HA   PHE  22           HA       PHE  22   4.421   0.655   8.012
  167    HB2  PHE  22           HB2      PHE  22   5.155  -2.292   8.004
  168    HB3  PHE  22           HB3      PHE  22   3.776  -1.552   7.178
  169    HD1  PHE  22           HD1      PHE  22   5.456   0.898   6.372
  170    HD2  PHE  22           HD2      PHE  22   6.043  -3.252   5.978
  171    HE1  PHE  22           HE1      PHE  22   6.729   1.354   4.449
  172    HE2  PHE  22           HE2      PHE  22   7.436  -2.866   3.989
  173    HZ   PHE  22           HZ       PHE  22   7.793  -0.584   3.174
  174    H    LYS  23           H        LYS  23   2.366   0.028   8.894
  175    HA   LYS  23           HA       LYS  23   2.580  -1.249  11.528
  176    HB2  LYS  23           HB2      LYS  23   0.711   1.015  10.786
  177    HB3  LYS  23           HB3      LYS  23   0.744   0.196  12.336
  178    HG2  LYS  23           HG2      LYS  23   3.073   0.992  12.647
  179    HG3  LYS  23           HG3      LYS  23   2.916   1.915  11.152
  180    HD2  LYS  23           HD2      LYS  23   0.994   3.119  12.171
  181    HD3  LYS  23           HD3      LYS  23   1.291   2.243  13.673
  182    HE2  LYS  23           HE2      LYS  23   3.180   4.157  12.299
  183    HE3  LYS  23           HE3      LYS  23   2.293   4.441  13.787
  184    HZ1  LYS  23           HZ1      LYS  23   4.586   3.864  14.193
  185    HZ2  LYS  23           HZ2      LYS  23   4.423   2.382  13.438
  186    HZ3  LYS  23           HZ3      LYS  23   3.602   2.713  14.877
  187    H    LYS  24           H        LYS  24   0.977  -2.690  12.069
  188    HA   LYS  24           HA       LYS  24  -0.884  -3.385   9.902
  189    HB2  LYS  24           HB2      LYS  24   0.746  -5.040   9.883
  190    HB3  LYS  24           HB3      LYS  24   0.753  -5.223  11.651
  191    HG2  LYS  24           HG2      LYS  24  -1.582  -6.076  11.464
  192    HG3  LYS  24           HG3      LYS  24  -1.469  -5.918   9.716
  193    HD2  LYS  24           HD2      LYS  24  -1.089  -8.208  10.304
  194    HD3  LYS  24           HD3      LYS  24   0.422  -7.504   9.748
  195    HE2  LYS  24           HE2      LYS  24   1.136  -7.232  12.086
  196    HE3  LYS  24           HE3      LYS  24  -0.378  -7.974  12.617
  197    HZ1  LYS  24           HZ1      LYS  24   1.346  -9.641  12.557
  198    HZ2  LYS  24           HZ2      LYS  24   1.710  -9.241  10.953
  199    HZ3  LYS  24           HZ3      LYS  24   0.219  -9.933  11.317
  200    H    SER  25           H        SER  25  -2.801  -3.308  10.383
  201    HA   SER  25           HA       SER  25  -3.832  -4.439  12.809
  202    HB2  SER  25           HB2      SER  25  -4.728  -1.737  11.694
  203    HB3  SER  25           HB3      SER  25  -5.328  -2.519  13.154
  204    HG   SER  25           HG       SER  25  -2.806  -2.366  13.535
  205    H    SER  26           H        SER  26  -5.560  -5.824  11.836
  206    HA   SER  26           HA       SER  26  -5.814  -5.075   9.033
  207    HB2  SER  26           HB2      SER  26  -6.613  -7.655  10.395
  208    HB3  SER  26           HB3      SER  26  -6.687  -7.340   8.660
  209    HG   SER  26           HG       SER  26  -4.491  -7.845  10.292
  210    H    ASP  27           H        ASP  27  -7.063  -3.497   9.138
  211    HA   ASP  27           HA       ASP  27  -9.984  -3.922   9.322
  212    HB2  ASP  27           HB2      ASP  27  -8.416  -1.488  10.036
  213    HB3  ASP  27           HB3      ASP  27 -10.183  -1.642  10.028
  214    H    LEU  28           H        LEU  28 -10.155  -4.315   7.202
  215    HA   LEU  28           HA       LEU  28  -8.538  -3.132   5.285
  216    HB2  LEU  28           HB2      LEU  28 -10.058  -5.045   4.867
  217    HB3  LEU  28           HB3      LEU  28 -11.426  -3.959   4.949
  218    HG   LEU  28           HG       LEU  28 -10.640  -2.795   2.931
  219   HD11  LEU  28          HD11      LEU  28  -8.468  -4.892   2.913
  220   HD12  LEU  28          HD12      LEU  28  -8.243  -3.159   3.168
  221   HD13  LEU  28          HD13      LEU  28  -8.812  -3.754   1.611
  222   HD21  LEU  28          HD21      LEU  28 -10.837  -5.788   2.628
  223   HD22  LEU  28          HD22      LEU  28 -11.103  -4.602   1.353
  224   HD23  LEU  28          HD23      LEU  28 -12.192  -4.669   2.740
  225    H    ASP  29           H        ASP  29 -11.640  -2.035   6.479
  226    HA   ASP  29           HA       ASP  29 -11.855   0.338   4.986
  227    HB2  ASP  29           HB2      ASP  29 -12.854  -0.366   7.683
  228    HB3  ASP  29           HB3      ASP  29 -13.368   1.083   6.824
  229    H    GLU  30           H        GLU  30 -10.600  -0.212   8.264
  230    HA   GLU  30           HA       GLU  30  -9.995   2.465   8.631
  231    HB2  GLU  30           HB2      GLU  30  -9.343   0.082  10.281
  232    HB3  GLU  30           HB3      GLU  30  -8.456   1.565  10.572
  233    HG2  GLU  30           HG2      GLU  30 -10.374   1.293  12.059
  234    HG3  GLU  30           HG3      GLU  30 -10.500   2.733  11.073
  235    H    CYS  31           H        CYS  31  -8.080  -0.056   7.365
  236    HA   CYS  31           HA       CYS  31  -5.626   1.310   7.457
  237    HB2  CYS  31           HB2      CYS  31  -6.632  -0.614   5.325
  238    HB3  CYS  31           HB3      CYS  31  -4.968   0.000   5.397
  239    H    LYS  32           H        LYS  32  -8.283   1.777   5.220
  240    HA   LYS  32           HA       LYS  32  -6.751   3.420   3.386
  241    HB2  LYS  32           HB2      LYS  32  -9.795   3.363   3.732
  242    HB3  LYS  32           HB3      LYS  32  -8.937   4.377   2.627
  243    HG2  LYS  32           HG2      LYS  32  -9.949   2.377   1.640
  244    HG3  LYS  32           HG3      LYS  32  -8.236   2.574   1.301
  245    HD2  LYS  32           HD2      LYS  32  -7.779   1.089   3.138
  246    HD3  LYS  32           HD3      LYS  32  -9.495   0.840   3.391
  247    HE2  LYS  32           HE2      LYS  32  -8.021   0.059   0.842
  248    HE3  LYS  32           HE3      LYS  32  -8.685  -1.062   2.035
  249    HZ1  LYS  32           HZ1      LYS  32 -10.147   0.717   0.160
  250    HZ2  LYS  32           HZ2      LYS  32 -10.909  -0.116   1.426
  251    HZ3  LYS  32           HZ3      LYS  32 -10.128  -0.940   0.205
  252    H    LYS  33           H        LYS  33  -8.839   3.857   6.081
  253    HA   LYS  33           HA       LYS  33  -8.895   6.607   6.008
  254    HB2  LYS  33           HB2      LYS  33 -10.321   6.400   7.831
  255    HB3  LYS  33           HB3      LYS  33 -10.184   4.674   7.454
  256    HG2  LYS  33           HG2      LYS  33  -8.643   4.289   8.939
  257    HG3  LYS  33           HG3      LYS  33  -8.309   6.002   9.307
  258    HD2  LYS  33           HD2      LYS  33 -10.724   6.131  10.139
  259    HD3  LYS  33           HD3      LYS  33 -10.805   4.380   9.987
  260    HE2  LYS  33           HE2      LYS  33 -10.333   4.972  12.294
  261    HE3  LYS  33           HE3      LYS  33  -8.924   4.191  11.585
  262    HZ1  LYS  33           HZ1      LYS  33  -9.260   7.127  11.846
  263    HZ2  LYS  33           HZ2      LYS  33  -7.861   6.335  11.331
  264    HZ3  LYS  33           HZ3      LYS  33  -8.383   6.179  12.917
  265    H    THR  34           H        THR  34  -6.750   4.304   7.803
  266    HA   THR  34           HA       THR  34  -5.276   6.210   9.150
  267    HB   THR  34           HB       THR  34  -4.300   3.503   8.204
  268    HG1  THR  34           HG1      THR  34  -5.565   4.060  10.679
  269   HG21  THR  34          HG21      THR  34  -3.652   5.193  10.630
  270   HG22  THR  34          HG22      THR  34  -2.616   4.983   9.218
  271   HG23  THR  34          HG23      THR  34  -2.969   3.609  10.266
  272    H    CYS  35           H        CYS  35  -4.919   4.661   5.954
  273    HA   CYS  35           HA       CYS  35  -2.590   5.993   5.631
  274    HB2  CYS  35           HB2      CYS  35  -4.145   4.311   3.768
  275    HB3  CYS  35           HB3      CYS  35  -2.768   5.280   3.120
  276    H    PHE  36           H        PHE  36  -5.729   7.166   4.745
  277    HA   PHE  36           HA       PHE  36  -4.780   9.456   3.320
  278    HB2  PHE  36           HB2      PHE  36  -7.055   9.657   5.286
  279    HB3  PHE  36           HB3      PHE  36  -6.810  10.568   3.816
  280    HD1  PHE  36           HD1      PHE  36  -6.669   8.704   1.709
  281    HD2  PHE  36           HD2      PHE  36  -8.905   8.499   5.302
  282    HE1  PHE  36           HE1      PHE  36  -8.300   7.219   0.629
  283    HE2  PHE  36           HE2      PHE  36 -10.526   7.014   4.226
  284    HZ   PHE  36           HZ       PHE  36 -10.232   6.375   1.913
  285    H    LYS  37           H        LYS  37  -5.189   8.572   6.691
  286    HA   LYS  37           HA       LYS  37  -5.033  11.041   7.755
  287    HB2  LYS  37           HB2      LYS  37  -4.494   8.390   8.973
  288    HB3  LYS  37           HB3      LYS  37  -4.298   9.874   9.888
  289    HG2  LYS  37           HG2      LYS  37  -6.867   9.365   8.444
  290    HG3  LYS  37           HG3      LYS  37  -6.549   8.542   9.961
  291    HD2  LYS  37           HD2      LYS  37  -7.861  10.554  10.350
  292    HD3  LYS  37           HD3      LYS  37  -6.277  10.728  11.081
  293    HE2  LYS  37           HE2      LYS  37  -7.025  12.771  10.041
  294    HE3  LYS  37           HE3      LYS  37  -5.596  12.184   9.210
  295    HZ1  LYS  37           HZ1      LYS  37  -8.425  11.943   8.301
  296    HZ2  LYS  37           HZ2      LYS  37  -7.118  11.344   7.438
  297    HZ3  LYS  37           HZ3      LYS  37  -7.292  12.989   7.685
  298    H    THR  38           H        THR  38  -1.923   8.957   7.319
  299    HA   THR  38           HA       THR  38  -0.598  11.118   8.759
  300    HB   THR  38           HB       THR  38   0.737   9.310   6.759
  301    HG1  THR  38           HG1      THR  38  -0.739   8.700   9.053
  302   HG21  THR  38          HG21      THR  38   1.439  10.106   9.590
  303   HG22  THR  38          HG22      THR  38   2.099  10.889   8.155
  304   HG23  THR  38          HG23      THR  38   2.456   9.195   8.478
  305    H    GLU  39           H        GLU  39   1.547  12.085   6.935
  306    HA   GLU  39           HA       GLU  39   0.413  12.859   4.434
  307    HB2  GLU  39           HB2      GLU  39   3.349  12.786   5.134
  308    HB3  GLU  39           HB3      GLU  39   2.610  13.643   3.796
  309    HG2  GLU  39           HG2      GLU  39   3.051  15.336   5.281
  310    HG3  GLU  39           HG3      GLU  39   1.373  14.961   5.655
  311    H    TYR  40           H        TYR  40   2.427  10.634   5.574
  312    HA   TYR  40           HA       TYR  40   3.634   9.883   3.238
  313    HB2  TYR  40           HB2      TYR  40   3.762   8.502   5.889
  314    HB3  TYR  40           HB3      TYR  40   4.838   8.291   4.504
  315    HD1  TYR  40           HD1      TYR  40   6.467   9.984   3.908
  316    HD2  TYR  40           HD2      TYR  40   3.943  10.489   7.287
  317    HE1  TYR  40           HE1      TYR  40   7.937  11.772   4.733
  318    HE2  TYR  40           HE2      TYR  40   5.406  12.278   8.122
  319    HH   TYR  40           HH       TYR  40   7.872  13.665   6.196
  320    H    CYS  41           H        CYS  41   0.792   8.618   4.666
  321    HA   CYS  41           HA       CYS  41   1.621   6.067   3.568
  322    HB2  CYS  41           HB2      CYS  41   0.217   5.988   5.651
  323    HB3  CYS  41           HB3      CYS  41  -1.153   6.375   4.574
  324    H    TYR  42           H        TYR  42   1.947   6.280   1.636
  325    HA   TYR  42           HA       TYR  42  -0.388   5.956  -0.065
  326    HB2  TYR  42           HB2      TYR  42   1.271   6.807  -1.930
  327    HB3  TYR  42           HB3      TYR  42   0.329   7.953  -0.976
  328    HD1  TYR  42           HD1      TYR  42   3.660   6.162  -0.650
  329    HD2  TYR  42           HD2      TYR  42   1.484   9.817  -0.404
  330    HE1  TYR  42           HE1      TYR  42   5.683   7.336  -0.066
  331    HE2  TYR  42           HE2      TYR  42   3.533  10.991   0.213
  332    HH   TYR  42           HH       TYR  42   5.669  10.516   1.168
  333    H    ILE  43           H        ILE  43   1.791   4.194   1.433
  334    HA   ILE  43           HA       ILE  43   1.904   2.370  -0.870
  335    HB   ILE  43           HB       ILE  43   4.066   2.509   1.295
  336   HG12  ILE  43          HG12      ILE  43   4.279   4.284  -0.460
  337   HG13  ILE  43          HG13      ILE  43   5.633   3.171  -0.374
  338   HG21  ILE  43          HG21      ILE  43   3.829   0.635  -1.026
  339   HG22  ILE  43          HG22      ILE  43   3.615   0.242   0.678
  340   HG23  ILE  43          HG23      ILE  43   5.198   0.735   0.080
  341   HD11  ILE  43          HD11      ILE  43   5.059   3.665  -2.651
  342   HD12  ILE  43          HD12      ILE  43   3.410   3.103  -2.352
  343   HD13  ILE  43          HD13      ILE  43   4.762   1.964  -2.279
  344    H    VAL  44           H        VAL  44   1.040   0.439  -0.389
  345    HA   VAL  44           HA       VAL  44   0.710  -0.197   2.435
  346    HB   VAL  44           HB       VAL  44  -1.284  -0.703   0.338
  347   HG11  VAL  44          HG11      VAL  44  -1.583  -0.891   3.326
  348   HG12  VAL  44          HG12      VAL  44  -1.549  -2.216   2.166
  349   HG13  VAL  44          HG13      VAL  44  -2.923  -1.111   2.199
  350   HG21  VAL  44          HG21      VAL  44  -1.365   1.656   0.453
  351   HG22  VAL  44          HG22      VAL  44  -1.426   1.650   2.224
  352   HG23  VAL  44          HG23      VAL  44  -2.800   1.071   1.269
  353    H    PHE  45           H        PHE  45   0.855  -2.439   2.789
  354    HA   PHE  45           HA       PHE  45   1.287  -4.102   0.419
  355    HB2  PHE  45           HB2      PHE  45   2.858  -4.208   3.018
  356    HB3  PHE  45           HB3      PHE  45   2.921  -5.442   1.770
  357    HD1  PHE  45           HD1      PHE  45   3.305  -4.223  -0.666
  358    HD2  PHE  45           HD2      PHE  45   4.765  -2.871   3.100
  359    HE1  PHE  45           HE1      PHE  45   5.121  -3.002  -1.779
  360    HE2  PHE  45           HE2      PHE  45   6.535  -1.690   1.991
  361    HZ   PHE  45           HZ       PHE  45   6.738  -1.733  -0.448
  362    H    GLU  46           H        GLU  46   0.015  -5.855   0.471
  363    HA   GLU  46           HA       GLU  46  -1.174  -6.449   3.111
  364    HB2  GLU  46           HB2      GLU  46  -2.524  -6.762   0.454
  365    HB3  GLU  46           HB3      GLU  46  -3.215  -7.145   2.032
  366    HG2  GLU  46           HG2      GLU  46  -3.014  -4.683   2.582
  367    HG3  GLU  46           HG3      GLU  46  -2.535  -4.453   0.907
  368    H    ASP  47           H        ASP  47  -1.351  -8.528   3.696
  369    HA   ASP  47           HA       ASP  47   0.235 -10.393   2.085
  370    HB2  ASP  47           HB2      ASP  47   0.687 -10.219   4.544
  371    HB3  ASP  47           HB3      ASP  47  -0.965 -10.788   4.845
  372    H    THR  48           H        THR  48  -0.779 -11.709   0.752
  373    HA   THR  48           HA       THR  48  -3.642 -11.700   0.585
  374    HB   THR  48           HB       THR  48  -1.738 -13.462  -0.958
  375    HG1  THR  48           HG1      THR  48  -1.133 -11.757  -2.067
  376   HG21  THR  48          HG21      THR  48  -4.151 -13.880  -1.281
  377   HG22  THR  48          HG22      THR  48  -3.421 -13.204  -2.737
  378   HG23  THR  48          HG23      THR  48  -4.390 -12.179  -1.680
  379    H    VAL  49           H        VAL  49  -1.308 -13.714   2.083
  380    HA   VAL  49           HA       VAL  49  -2.791 -16.188   1.854
  381    HB   VAL  49           HB       VAL  49  -0.317 -15.537   3.481
  382   HG11  VAL  49          HG11      VAL  49  -1.437 -18.207   2.674
  383   HG12  VAL  49          HG12      VAL  49  -1.483 -17.510   4.291
  384   HG13  VAL  49          HG13      VAL  49   0.064 -17.937   3.557
  385   HG21  VAL  49          HG21      VAL  49   0.954 -16.627   1.676
  386   HG22  VAL  49          HG22      VAL  49   0.113 -15.183   1.112
  387   HG23  VAL  49          HG23      VAL  49  -0.532 -16.782   0.739
  388    H    ASN  50           H        ASN  50  -1.848 -13.896   4.210
  389    HA   ASN  50           HA       ASN  50  -3.431 -15.107   6.339
  390    HB2  ASN  50           HB2      ASN  50  -1.458 -12.862   6.245
  391    HB3  ASN  50           HB3      ASN  50  -2.243 -13.335   7.731
  392   HD21  ASN  50          HD21      ASN  50   0.071 -14.133   5.311
  393   HD22  ASN  50          HD22      ASN  50   0.801 -15.474   6.130
  394    H    LYS  51           H        LYS  51  -3.675 -12.606   4.039
  395    HA   LYS  51           HA       LYS  51  -5.110 -10.918   3.656
  396    HB2  LYS  51           HB2      LYS  51  -6.863 -12.440   5.625
  397    HB3  LYS  51           HB3      LYS  51  -7.398 -10.974   4.844
  398    HG2  LYS  51           HG2      LYS  51  -8.339 -12.818   3.641
  399    HG3  LYS  51           HG3      LYS  51  -7.101 -12.095   2.630
  400    HD2  LYS  51           HD2      LYS  51  -6.906 -14.473   2.451
  401    HD3  LYS  51           HD3      LYS  51  -5.537 -13.894   3.397
  402    HE2  LYS  51           HE2      LYS  51  -6.393 -15.884   4.435
  403    HE3  LYS  51           HE3      LYS  51  -6.783 -14.512   5.462
  404    HZ1  LYS  51           HZ1      LYS  51  -8.646 -15.865   3.590
  405    HZ2  LYS  51           HZ2      LYS  51  -9.019 -14.505   4.507
  406    HZ3  LYS  51           HZ3      LYS  51  -8.680 -15.948   5.280
  407    H    GLU  52           H        GLU  52  -3.086 -10.426   5.264
  408    HA   GLU  52           HA       GLU  52  -4.120  -8.815   7.488
  409    HB2  GLU  52           HB2      GLU  52  -1.276  -9.774   6.973
  410    HB3  GLU  52           HB3      GLU  52  -1.716  -8.702   8.278
  411    HG2  GLU  52           HG2      GLU  52  -3.263 -10.376   9.148
  412    HG3  GLU  52           HG3      GLU  52  -2.728 -11.478   7.885
  413    H    CYS  53           H        CYS  53  -2.928  -6.589   7.878
  414    HA   CYS  53           HA       CYS  53  -2.680  -5.372   5.239
  415    HB2  CYS  53           HB2      CYS  53  -4.949  -4.977   6.099
  416    HB3  CYS  53           HB3      CYS  53  -4.272  -4.370   7.614
  417    H    TYR  54           H        TYR  54  -0.729  -4.407   5.113
  418    HA   TYR  54           HA       TYR  54   0.268  -3.131   7.556
  419    HB2  TYR  54           HB2      TYR  54   1.796  -4.403   5.263
  420    HB3  TYR  54           HB3      TYR  54   2.535  -3.343   6.447
  421    HD1  TYR  54           HD1      TYR  54   0.639  -6.533   6.178
  422    HD2  TYR  54           HD2      TYR  54   3.483  -4.257   8.361
  423    HE1  TYR  54           HE1      TYR  54   1.115  -8.492   7.584
  424    HE2  TYR  54           HE2      TYR  54   3.966  -6.201   9.781
  425    HH   TYR  54           HH       TYR  54   2.922  -9.334   9.004
  426    H    TYR  55           H        TYR  55   0.408  -1.070   7.322
  427    HA   TYR  55           HA       TYR  55   0.317  -0.037   4.612
  428    HB2  TYR  55           HB2      TYR  55  -1.148   1.939   5.547
  429    HB3  TYR  55           HB3      TYR  55  -1.806   0.353   5.495
  430    HD1  TYR  55           HD1      TYR  55  -0.115   2.571   7.972
  431    HD2  TYR  55           HD2      TYR  55  -2.840  -0.615   7.267
  432    HE1  TYR  55           HE1      TYR  55  -0.759   2.594  10.344
  433    HE2  TYR  55           HE2      TYR  55  -3.489  -0.605   9.636
  434    HH   TYR  55           HH       TYR  55  -2.664   0.098  11.764
  435    H    ASN  56           H        ASN  56   1.714   1.357   3.967
  436    HA   ASN  56           HA       ASN  56   4.122   1.785   5.597
  437    HB2  ASN  56           HB2      ASN  56   4.421   1.422   3.234
  438    HB3  ASN  56           HB3      ASN  56   3.285   2.760   2.932
  439   HD21  ASN  56          HD21      ASN  56   4.576   4.061   1.826
  440   HD22  ASN  56          HD22      ASN  56   5.966   4.867   2.491
  441    H    VAL  57           H        VAL  57   4.535   3.244   6.871
  442    HA   VAL  57           HA       VAL  57   2.703   5.566   6.862
  443    HB   VAL  57           HB       VAL  57   3.094   5.865   9.268
  444   HG11  VAL  57          HG11      VAL  57   1.859   3.912  10.062
  445   HG12  VAL  57          HG12      VAL  57   2.203   3.084   8.547
  446   HG13  VAL  57          HG13      VAL  57   1.200   4.533   8.549
  447   HG21  VAL  57          HG21      VAL  57   4.701   3.317   9.082
  448   HG22  VAL  57          HG22      VAL  57   4.249   4.132  10.580
  449   HG23  VAL  57          HG23      VAL  57   5.339   4.920   9.439
  450    H    VAL  58           H        VAL  58   5.703   4.868   5.987
  451    HA   VAL  58           HA       VAL  58   6.651   7.592   6.653
  452    HB   VAL  58           HB       VAL  58   8.516   5.233   6.124
  453   HG11  VAL  58          HG11      VAL  58   9.752   7.263   5.861
  454   HG12  VAL  58          HG12      VAL  58  10.159   6.636   7.451
  455   HG13  VAL  58          HG13      VAL  58   9.010   7.960   7.297
  456   HG21  VAL  58          HG21      VAL  58   7.277   4.633   8.088
  457   HG22  VAL  58          HG22      VAL  58   7.564   6.227   8.795
  458   HG23  VAL  58          HG23      VAL  58   8.915   5.131   8.552
  459    H    ASP  59           H        ASP  59   8.629   7.819   4.888
  460    HA   ASP  59           HA       ASP  59   7.129   8.455   2.594
  461    HB2  ASP  59           HB2      ASP  59   9.120   9.758   3.392
  462    HB3  ASP  59           HB3      ASP  59  10.140   8.451   2.793
  463    H    GLY  60           H        GLY  60   6.523   7.074   1.341
  464    HA2  GLY  60           HA2      GLY  60   8.091   4.701   0.744
  465    HA3  GLY  60           HA3      GLY  60   6.342   4.797   0.588
  466    H    GLU  61           H        GLU  61   7.748   7.649  -0.517
  467    HA   GLU  61           HA       GLU  61   7.380   6.949  -3.262
  468    HB2  GLU  61           HB2      GLU  61   7.157   9.283  -2.501
  469    HB3  GLU  61           HB3      GLU  61   8.832   9.282  -1.976
  470    HG2  GLU  61           HG2      GLU  61   8.578  10.458  -4.084
  471    HG3  GLU  61           HG3      GLU  61   9.563   9.007  -4.283
  472    H    GLU  62           H        GLU  62   9.878   7.078  -0.902
  473    HA   GLU  62           HA       GLU  62  12.029   6.361  -2.517
  474    HB2  GLU  62           HB2      GLU  62  11.531   5.848   0.405
  475    HB3  GLU  62           HB3      GLU  62  13.036   5.436  -0.408
  476    HG2  GLU  62           HG2      GLU  62  11.855   8.178  -0.089
  477    HG3  GLU  62           HG3      GLU  62  13.278   7.531   0.734
  478    H    LEU  63           H        LEU  63   9.231   4.502  -1.654
  479    HA   LEU  63           HA       LEU  63  10.716   2.085  -2.162
  480    HB2  LEU  63           HB2      LEU  63   7.762   2.574  -1.706
  481    HB3  LEU  63           HB3      LEU  63   8.488   0.982  -1.958
  482    HG   LEU  63           HG       LEU  63   9.053   2.833   0.362
  483   HD11  LEU  63          HD11      LEU  63   6.861   1.858   0.541
  484   HD12  LEU  63          HD12      LEU  63   7.951   1.120   1.712
  485   HD13  LEU  63          HD13      LEU  63   7.519   0.252   0.239
  486   HD21  LEU  63          HD21      LEU  63  10.064   0.043  -0.185
  487   HD22  LEU  63          HD22      LEU  63  10.311   0.981   1.286
  488   HD23  LEU  63          HD23      LEU  63  11.018   1.532  -0.224
  489    H    ASP  64           H        ASP  64  11.371   1.898  -4.104
  490    HA   ASP  64           HA       ASP  64   9.826   3.150  -6.200
  491    HB2  ASP  64           HB2      ASP  64  12.335   3.482  -5.916
  492    HB3  ASP  64           HB3      ASP  64  12.510   1.843  -6.538
  493    H    GLN  65           H        GLN  65   8.491   2.137  -7.157
  494    HA   GLN  65           HA       GLN  65   7.560  -0.398  -6.775
  495    HB2  GLN  65           HB2      GLN  65   6.237   1.411  -7.475
  496    HB3  GLN  65           HB3      GLN  65   7.184   1.631  -8.930
  497    HG2  GLN  65           HG2      GLN  65   6.320  -0.509  -9.754
  498    HG3  GLN  65           HG3      GLN  65   5.314  -0.624  -8.306
  499   HE21  GLN  65          HE21      GLN  65   5.963   1.233 -11.165
  500   HE22  GLN  65          HE22      GLN  65   4.408   1.996 -11.274
  501    H    GLU  66           H        GLU  66   9.584   0.710  -9.517
  502    HA   GLU  66           HA       GLU  66   9.254  -1.855 -10.808
  503    HB2  GLU  66           HB2      GLU  66  11.187   0.336 -11.565
  504    HB3  GLU  66           HB3      GLU  66  10.871  -1.110 -12.503
  505    HG2  GLU  66           HG2      GLU  66   9.662   0.584 -13.562
  506    HG3  GLU  66           HG3      GLU  66   8.462  -0.304 -12.625
  507    H    LYS  67           H        LYS  67  11.379  -0.676  -8.464
  508    HA   LYS  67           HA       LYS  67  13.422  -2.613  -9.222
  509    HB2  LYS  67           HB2      LYS  67  13.604  -0.335  -7.222
  510    HB3  LYS  67           HB3      LYS  67  14.918  -1.430  -7.614
  511    HG2  LYS  67           HG2      LYS  67  15.360   0.534  -8.857
  512    HG3  LYS  67           HG3      LYS  67  14.694  -0.601 -10.028
  513    HD2  LYS  67           HD2      LYS  67  12.436   0.505  -9.641
  514    HD3  LYS  67           HD3      LYS  67  13.286   1.681  -8.670
  515    HE2  LYS  67           HE2      LYS  67  14.660   2.294 -10.648
  516    HE3  LYS  67           HE3      LYS  67  13.684   1.159 -11.587
  517    HZ1  LYS  67           HZ1      LYS  67  12.599   3.484 -10.114
  518    HZ2  LYS  67           HZ2      LYS  67  11.699   2.505 -11.139
  519    HZ3  LYS  67           HZ3      LYS  67  12.901   3.511 -11.771
  520    H    PHE  68           H        PHE  68  10.791  -2.894  -7.783
  521    HA   PHE  68           HA       PHE  68  11.516  -4.208  -5.360
  522    HB2  PHE  68           HB2      PHE  68   8.976  -3.587  -6.782
  523    HB3  PHE  68           HB3      PHE  68   8.975  -5.030  -5.758
  524    HD1  PHE  68           HD1      PHE  68  10.905  -1.938  -5.065
  525    HD2  PHE  68           HD2      PHE  68   7.474  -4.268  -4.071
  526    HE1  PHE  68           HE1      PHE  68  10.577  -0.610  -3.019
  527    HE2  PHE  68           HE2      PHE  68   7.163  -2.964  -2.056
  528    HZ   PHE  68           HZ       PHE  68   8.701  -1.153  -1.488
  529    H    VAL  69           H        VAL  69  11.298  -6.470  -4.943
  530    HA   VAL  69           HA       VAL  69  11.938  -8.150  -7.306
  531    HB   VAL  69           HB       VAL  69  12.792  -8.447  -4.389
  532   HG11  VAL  69          HG11      VAL  69  14.393 -10.105  -5.187
  533   HG12  VAL  69          HG12      VAL  69  13.764  -9.914  -6.827
  534   HG13  VAL  69          HG13      VAL  69  12.722 -10.547  -5.549
  535   HG21  VAL  69          HG21      VAL  69  15.050  -7.762  -5.087
  536   HG22  VAL  69          HG22      VAL  69  13.859  -6.476  -5.299
  537   HG23  VAL  69          HG23      VAL  69  14.419  -7.399  -6.694
  538    H    VAL  70           H        VAL  70  11.101 -10.495  -6.773
  539    HA   VAL  70           HA       VAL  70   8.484  -9.880  -5.819
  540    HB   VAL  70           HB       VAL  70   8.543 -10.975  -7.820
  541   HG11  VAL  70          HG11      VAL  70   9.821 -13.356  -6.440
  542   HG12  VAL  70          HG12      VAL  70  10.598 -12.308  -7.620
  543   HG13  VAL  70          HG13      VAL  70   9.270 -13.357  -8.116
  544   HG21  VAL  70          HG21      VAL  70   6.971 -12.884  -7.445
  545   HG22  VAL  70          HG22      VAL  70   6.573 -11.434  -6.521
  546   HG23  VAL  70          HG23      VAL  70   7.361 -12.797  -5.727
  547    H    ASP  71           H        ASP  71   7.920  -9.849  -3.804
  548    HA   ASP  71           HA       ASP  71   8.202 -12.260  -2.198
  549    HB2  ASP  71           HB2      ASP  71   8.848 -10.216  -1.045
  550    HB3  ASP  71           HB3      ASP  71   7.494  -9.379  -1.779
  551    H    GLU  72           H        GLU  72   6.571 -13.564  -2.595
  552    HA   GLU  72           HA       GLU  72   4.364 -12.702  -4.231
  553    HB2  GLU  72           HB2      GLU  72   5.534 -14.738  -4.777
  554    HB3  GLU  72           HB3      GLU  72   5.185 -15.405  -3.193
  555    HG2  GLU  72           HG2      GLU  72   2.813 -15.460  -3.730
  556    HG3  GLU  72           HG3      GLU  72   3.148 -14.758  -5.312
  557    H    ASN  73           H        ASN  73   4.846 -13.546  -0.899
  558    HA   ASN  73           HA       ASN  73   2.100 -14.134  -0.495
  559    HB2  ASN  73           HB2      ASN  73   2.642 -14.013   2.012
  560    HB3  ASN  73           HB3      ASN  73   3.391 -15.281   1.065
  561   HD21  ASN  73          HD21      ASN  73   4.501 -11.968   1.002
  562   HD22  ASN  73          HD22      ASN  73   6.008 -12.246   1.779
  563    H    PHE  74           H        PHE  74   3.628 -11.179  -0.780
  564    HA   PHE  74           HA       PHE  74   1.228  -9.913   0.332
  565    HB2  PHE  74           HB2      PHE  74   4.064  -8.905   0.376
  566    HB3  PHE  74           HB3      PHE  74   2.706  -7.815   0.513
  567    HD1  PHE  74           HD1      PHE  74   4.402 -10.682   2.152
  568    HD2  PHE  74           HD2      PHE  74   1.764  -7.399   2.576
  569    HE1  PHE  74           HE1      PHE  74   4.474 -10.937   4.599
  570    HE2  PHE  74           HE2      PHE  74   1.819  -7.654   4.999
  571    HZ   PHE  74           HZ       PHE  74   3.156  -9.415   6.027
  572    H    THR  75           H        THR  75   0.796  -7.796  -0.678
  573    HA   THR  75           HA       THR  75   1.153  -7.768  -3.635
  574    HB   THR  75           HB       THR  75  -1.060  -6.657  -3.535
  575    HG1  THR  75           HG1      THR  75  -2.167  -6.890  -1.454
  576   HG21  THR  75          HG21      THR  75  -0.925  -9.309  -2.112
  577   HG22  THR  75          HG22      THR  75  -1.002  -9.066  -3.853
  578   HG23  THR  75          HG23      THR  75  -2.381  -8.634  -2.831
  579    H    GLU  76           H        GLU  76   1.952  -5.693  -4.541
  580    HA   GLU  76           HA       GLU  76   2.362  -3.818  -2.435
  581    HB2  GLU  76           HB2      GLU  76   4.351  -2.930  -3.738
  582    HB3  GLU  76           HB3      GLU  76   4.543  -4.521  -3.036
  583    HG2  GLU  76           HG2      GLU  76   5.562  -4.706  -5.103
  584    HG3  GLU  76           HG3      GLU  76   3.977  -5.403  -5.368
  585    H    ASN  77           H        ASN  77   1.463  -1.908  -2.566
  586    HA   ASN  77           HA       ASN  77   0.576  -1.140  -5.220
  587    HB2  ASN  77           HB2      ASN  77  -1.766  -0.819  -4.397
  588    HB3  ASN  77           HB3      ASN  77  -1.108  -2.379  -3.995
  589   HD21  ASN  77          HD21      ASN  77  -1.158  -3.118  -2.082
  590   HD22  ASN  77          HD22      ASN  77  -1.499  -2.201  -0.649
  591    H    TYR  78           H        TYR  78   0.565   1.072  -5.609
  592    HA   TYR  78           HA       TYR  78   1.413   2.865  -3.458
  593    HB2  TYR  78           HB2      TYR  78   3.578   2.554  -4.251
  594    HB3  TYR  78           HB3      TYR  78   3.063   2.158  -5.889
  595    HD1  TYR  78           HD1      TYR  78   3.517   4.956  -3.438
  596    HD2  TYR  78           HD2      TYR  78   3.381   3.782  -7.528
  597    HE1  TYR  78           HE1      TYR  78   4.356   7.165  -4.096
  598    HE2  TYR  78           HE2      TYR  78   4.223   5.987  -8.184
  599    HH   TYR  78           HH       TYR  78   5.522   8.248  -5.999
  600    H    LEU  79           H        LEU  79   0.733   4.862  -3.629
  601    HA   LEU  79           HA       LEU  79  -1.418   5.466  -5.486
  602    HB2  LEU  79           HB2      LEU  79  -1.817   6.298  -3.330
  603    HB3  LEU  79           HB3      LEU  79  -0.200   6.950  -3.186
  604    HG   LEU  79           HG       LEU  79  -0.827   8.612  -4.977
  605   HD11  LEU  79          HD11      LEU  79  -2.750   7.563  -5.923
  606   HD12  LEU  79          HD12      LEU  79  -3.162   9.161  -5.300
  607   HD13  LEU  79          HD13      LEU  79  -3.623   7.719  -4.395
  608   HD21  LEU  79          HD21      LEU  79  -2.279   8.736  -2.345
  609   HD22  LEU  79          HD22      LEU  79  -1.977  10.107  -3.415
  610   HD23  LEU  79          HD23      LEU  79  -0.622   9.258  -2.673
  611    H    THR  80           H        THR  80  -0.861   5.999  -7.504
  612    HA   THR  80           HA       THR  80   0.861   8.298  -7.700
  613    HB   THR  80           HB       THR  80   2.194   6.400  -8.540
  614    HG1  THR  80           HG1      THR  80   2.428   8.453  -9.480
  615   HG21  THR  80          HG21      THR  80   1.593   5.250 -10.637
  616   HG22  THR  80          HG22      THR  80   0.047   6.097 -10.652
  617   HG23  THR  80          HG23      THR  80   0.404   4.940  -9.372
  618    H    ASP  81           H        ASP  81  -0.147   9.981  -8.436
  619    HA   ASP  81           HA       ASP  81  -1.559  11.341  -9.402
  620    HB2  ASP  81           HB2      ASP  81  -0.224  10.809 -11.347
  621    HB3  ASP  81           HB3      ASP  81  -1.275   9.452 -11.733
  622    H    CYS  82           H        CYS  82  -3.128  10.729  -7.842
  623    HA   CYS  82           HA       CYS  82  -5.693  10.650  -9.134
  624    HB2  CYS  82           HB2      CYS  82  -5.022   8.159  -8.800
  625    HB3  CYS  82           HB3      CYS  82  -5.186   8.485  -7.076
  626    H    GLU  83           H        GLU  83  -4.132  12.413  -7.670
  627    HA   GLU  83           HA       GLU  83  -4.892  12.409  -4.943
  628    HB2  GLU  83           HB2      GLU  83  -3.573  14.535  -6.626
  629    HB3  GLU  83           HB3      GLU  83  -3.866  14.705  -4.906
  630    HG2  GLU  83           HG2      GLU  83  -1.590  14.048  -5.160
  631    HG3  GLU  83           HG3      GLU  83  -2.456  12.651  -4.549
  632    H    GLY  84           H        GLY  84  -6.394  13.533  -3.882
  633    HA2  GLY  84           HA2      GLY  84  -8.047  15.385  -3.960
  634    HA3  GLY  84           HA3      GLY  84  -8.498  14.763  -5.549
  635    H    LYS  85           H        LYS  85  -8.190  12.050  -4.873
  636    HA   LYS  85           HA       LYS  85  -9.255  10.225  -4.158
  637    HB2  LYS  85           HB2      LYS  85 -10.277  11.710  -1.723
  638    HB3  LYS  85           HB3      LYS  85  -9.999   9.991  -1.888
  639    HG2  LYS  85           HG2      LYS  85  -8.048  12.189  -1.283
  640    HG3  LYS  85           HG3      LYS  85  -8.297  10.599  -0.541
  641    HD2  LYS  85           HD2      LYS  85  -7.203   9.504  -2.364
  642    HD3  LYS  85           HD3      LYS  85  -7.063  11.025  -3.249
  643    HE2  LYS  85           HE2      LYS  85  -5.719  11.929  -1.337
  644    HE3  LYS  85           HE3      LYS  85  -5.754  10.321  -0.633
  645    HZ1  LYS  85           HZ1      LYS  85  -3.713  10.633  -1.819
  646    HZ2  LYS  85           HZ2      LYS  85  -4.529  11.028  -3.248
  647    HZ3  LYS  85           HZ3      LYS  85  -4.657   9.471  -2.605
  648    H    ASP  86           H        ASP  86 -10.511  11.956  -5.876
  649    HA   ASP  86           HA       ASP  86 -13.348  11.785  -5.177
  650    HB2  ASP  86           HB2      ASP  86 -13.780  13.232  -7.139
  651    HB3  ASP  86           HB3      ASP  86 -12.730  13.989  -5.956
  652    H    ALA  87           H        ALA  87 -11.142   9.914  -6.572
  653    HA   ALA  87           HA       ALA  87 -13.004   8.808  -8.538
  654    HB1  ALA  87           HB1      ALA  87 -10.107   8.111  -8.002
  655    HB2  ALA  87           HB2      ALA  87 -10.686   9.152  -9.300
  656    HB3  ALA  87           HB3      ALA  87 -11.110   7.438  -9.288
  657    H    GLY  88           H        GLY  88 -13.819   6.713  -8.283
  658    HA2  GLY  88           HA2      GLY  88 -13.921   5.907  -5.520
  659    HA3  GLY  88           HA3      GLY  88 -14.910   5.300  -6.830
  660    H    ASN  89           H        ASN  89 -11.439   5.366  -6.122
  661    HA   ASN  89           HA       ASN  89 -11.187   2.626  -7.039
  662    HB2  ASN  89           HB2      ASN  89  -9.283   4.084  -7.495
  663    HB3  ASN  89           HB3      ASN  89  -9.144   4.490  -5.785
  664   HD21  ASN  89          HD21      ASN  89  -8.163   3.052  -4.388
  665   HD22  ASN  89          HD22      ASN  89  -7.359   1.601  -4.899
  666    H    ALA  90           H        ALA  90 -11.938   1.127  -5.770
  667    HA   ALA  90           HA       ALA  90 -12.220   1.631  -2.973
  668    HB1  ALA  90           HB1      ALA  90 -12.821  -0.891  -4.491
  669    HB2  ALA  90           HB2      ALA  90 -13.943   0.449  -4.254
  670    HB3  ALA  90           HB3      ALA  90 -13.374  -0.477  -2.869
  671    H    ALA  91           H        ALA  91 -10.274  -0.594  -4.916
  672    HA   ALA  91           HA       ALA  91  -8.721  -1.047  -2.485
  673    HB1  ALA  91           HB1      ALA  91  -9.161  -3.036  -4.710
  674    HB2  ALA  91           HB2      ALA  91  -9.965  -3.060  -3.145
  675    HB3  ALA  91           HB3      ALA  91  -8.224  -3.308  -3.240
  676    H    GLY  92           H        GLY  92  -7.994  -2.006  -5.816
  677    HA2  GLY  92           HA2      GLY  92  -6.292  -1.334  -7.213
  678    HA3  GLY  92           HA3      GLY  92  -5.961   0.012  -6.120
  679    H    THR  93           H        THR  93  -6.186  -3.325  -5.196
  680    HA   THR  93           HA       THR  93  -3.362  -3.562  -4.824
  681    HB   THR  93           HB       THR  93  -3.849  -2.374  -2.825
  682    HG1  THR  93           HG1      THR  93  -3.898  -4.537  -1.359
  683   HG21  THR  93          HG21      THR  93  -6.134  -4.302  -2.404
  684   HG22  THR  93          HG22      THR  93  -6.260  -2.581  -2.754
  685   HG23  THR  93          HG23      THR  93  -5.593  -3.126  -1.208
  686    H    GLY  94           H        GLY  94  -2.725  -5.676  -4.506
  687    HA2  GLY  94           HA2      GLY  94  -2.890  -7.966  -4.688
  688    HA3  GLY  94           HA3      GLY  94  -4.550  -7.833  -4.114
  689    H    ASP  95           H        ASP  95  -6.190  -7.651  -5.559
  690    HA   ASP  95           HA       ASP  95  -7.371  -8.245  -7.311
  691    HB2  ASP  95           HB2      ASP  95  -6.724  -6.041  -8.097
  692    HB3  ASP  95           HB3      ASP  95  -5.245  -6.688  -8.791
  693    H    GLU  96           H        GLU  96  -4.583  -8.487  -9.409
  694    HA   GLU  96           HA       GLU  96  -3.865 -10.147 -10.746
  695    HB2  GLU  96           HB2      GLU  96  -4.191 -11.744  -8.195
  696    HB3  GLU  96           HB3      GLU  96  -3.347 -12.328  -9.620
  697    HG2  GLU  96           HG2      GLU  96  -2.582  -9.852  -8.105
  698    HG3  GLU  96           HG3      GLU  96  -1.879 -11.445  -7.818
  699    H    SER  97           H        SER  97  -5.649 -12.537  -9.008
  700    HA   SER  97           HA       SER  97  -8.014 -12.672 -10.480
  701    HB2  SER  97           HB2      SER  97  -5.881 -14.790 -11.038
  702    HB3  SER  97           HB3      SER  97  -7.544 -14.837 -11.603
  703    HG   SER  97           HG       SER  97  -6.325 -12.542 -12.327
  704    H    ASP  98           H        ASP  98  -8.992 -14.921  -9.666
  705    HA   ASP  98           HA       ASP  98  -8.224 -15.178  -6.899
  706    HB2  ASP  98           HB2      ASP  98 -10.626 -15.303  -7.493
  707    HB3  ASP  98           HB3      ASP  98 -10.285 -16.714  -8.492
  708    H    GLU  99           H        GLU  99  -6.161 -15.869  -7.203
  709    HA   GLU  99           HA       GLU  99  -5.612 -18.276  -8.648
  710    HB2  GLU  99           HB2      GLU  99  -4.008 -16.376  -8.539
  711    HB3  GLU  99           HB3      GLU  99  -3.854 -16.610  -6.817
  712    HG2  GLU  99           HG2      GLU  99  -3.049 -18.736  -8.802
  713    HG3  GLU  99           HG3      GLU  99  -1.965 -17.443  -8.309
  714    H    VAL 100           H        VAL 100  -6.423 -20.030  -7.863
  715    HA   VAL 100           HA       VAL 100  -5.761 -20.666  -5.097
  716    HB   VAL 100           HB       VAL 100  -7.798 -22.239  -5.101
  717   HG11  VAL 100          HG11      VAL 100  -8.290 -19.266  -5.221
  718   HG12  VAL 100          HG12      VAL 100  -7.756 -20.178  -3.807
  719   HG13  VAL 100          HG13      VAL 100  -9.361 -20.456  -4.483
  720   HG21  VAL 100          HG21      VAL 100  -8.618 -20.470  -7.408
  721   HG22  VAL 100          HG22      VAL 100  -9.650 -21.644  -6.590
  722   HG23  VAL 100          HG23      VAL 100  -8.248 -22.189  -7.515
  723    H    ASP 101           H        ASP 101  -4.151 -21.889  -5.150
  724    HA   ASP 101           HA       ASP 101  -2.852 -23.706  -5.306
  725    HB2  ASP 101           HB2      ASP 101  -4.719 -25.205  -5.150
  726    HB3  ASP 101           HB3      ASP 101  -5.167 -24.909  -6.821
  727    H    GLU 102           H        GLU 102  -4.270 -22.771  -8.337
  728    HA   GLU 102           HA       GLU 102  -1.576 -22.701  -9.430
  729    HB2  GLU 102           HB2      GLU 102  -2.439 -23.608 -11.625
  730    HB3  GLU 102           HB3      GLU 102  -2.281 -24.760 -10.313
  731    HG2  GLU 102           HG2      GLU 102  -4.715 -24.570  -9.918
  732    HG3  GLU 102           HG3      GLU 102  -4.823 -23.488 -11.307
  733    H    ASP 103           H        ASP 103  -4.960 -21.716  -9.915
  734    HA   ASP 103           HA       ASP 103  -4.517 -19.039 -10.183
  735    HB2  ASP 103           HB2      ASP 103  -3.398 -19.777 -12.399
  736    HB3  ASP 103           HB3      ASP 103  -4.997 -20.294 -12.915
  Start of MODEL   10
    1    H1   GLU   1           H1       GLU   1 -11.280  11.196   7.717
    2    H2   GLU   1           H2       GLU   1 -10.456   9.747   7.479
    3    H3   GLU   1           H3       GLU   1 -11.864   9.745   8.364
    4    HA   GLU   1           HA       GLU   1 -13.135  10.342   6.398
    5    HB2  GLU   1           HB2      GLU   1 -10.446   9.952   5.069
    6    HB3  GLU   1           HB3      GLU   1 -11.964  10.129   4.221
    7    HG2  GLU   1           HG2      GLU   1 -12.211  12.377   4.976
    8    HG3  GLU   1           HG3      GLU   1 -10.811  12.230   6.039
    9    H    GLU   2           H        GLU   2 -13.962   8.561   5.098
   10    HA   GLU   2           HA       GLU   2 -12.677   6.015   5.684
   11    HB2  GLU   2           HB2      GLU   2 -14.395   6.513   7.390
   12    HB3  GLU   2           HB3      GLU   2 -15.592   6.629   6.113
   13    HG2  GLU   2           HG2      GLU   2 -15.171   4.288   5.540
   14    HG3  GLU   2           HG3      GLU   2 -14.028   4.188   6.882
   15    H    ARG   3           H        ARG   3 -12.136   5.551   3.663
   16    HA   ARG   3           HA       ARG   3 -14.033   4.723   1.700
   17    HB2  ARG   3           HB2      ARG   3 -12.361   7.205   1.312
   18    HB3  ARG   3           HB3      ARG   3 -12.680   6.143  -0.036
   19    HG2  ARG   3           HG2      ARG   3 -15.030   6.589   0.130
   20    HG3  ARG   3           HG3      ARG   3 -14.766   7.540   1.600
   21    HD2  ARG   3           HD2      ARG   3 -13.434   9.134   0.382
   22    HD3  ARG   3           HD3      ARG   3 -13.506   8.147  -1.071
   23    HE   ARG   3           HE       ARG   3 -15.972   8.608  -0.961
   24   HH11  ARG   3          HH11      ARG   3 -13.617  10.951   0.319
   25   HH12  ARG   3          HH12      ARG   3 -14.512  12.314  -0.174
   26   HH21  ARG   3          HH21      ARG   3 -17.135  10.471  -1.661
   27   HH22  ARG   3          HH22      ARG   3 -16.586  12.050  -1.308
   28    H    GLU   4           H        GLU   4 -12.601   3.958  -0.187
   29    HA   GLU   4           HA       GLU   4  -9.816   3.667   0.689
   30    HB2  GLU   4           HB2      GLU   4 -10.417   1.816  -1.463
   31    HB3  GLU   4           HB3      GLU   4  -9.579   1.536   0.006
   32    HG2  GLU   4           HG2      GLU   4 -11.327  -0.003   0.055
   33    HG3  GLU   4           HG3      GLU   4 -11.872   1.292   1.119
   34    H    ASP   5           H        ASP   5  -8.469   4.579  -0.638
   35    HA   ASP   5           HA       ASP   5  -9.686   5.818  -2.973
   36    HB2  ASP   5           HB2      ASP   5  -8.023   7.015  -1.322
   37    HB3  ASP   5           HB3      ASP   5  -6.785   6.252  -2.325
   38    H    CYS   6           H        CYS   6  -7.874   5.920  -4.902
   39    HA   CYS   6           HA       CYS   6  -7.766   3.089  -5.454
   40    HB2  CYS   6           HB2      CYS   6  -7.165   4.013  -7.772
   41    HB3  CYS   6           HB3      CYS   6  -8.875   3.703  -7.332
   42    H    TRP   7           H        TRP   7  -6.087   2.129  -5.203
   43    HA   TRP   7           HA       TRP   7  -3.617   3.585  -5.590
   44    HB2  TRP   7           HB2      TRP   7  -3.743   0.824  -4.242
   45    HB3  TRP   7           HB3      TRP   7  -2.566   2.106  -4.101
   46    HD1  TRP   7           HD1      TRP   7  -5.006   4.311  -3.556
   47    HE1  TRP   7           HE1      TRP   7  -5.978   4.386  -1.208
   48    HE3  TRP   7           HE3      TRP   7  -3.400  -0.186  -1.980
   49    HZ2  TRP   7           HZ2      TRP   7  -5.998   2.694   1.093
   50    HZ3  TRP   7           HZ3      TRP   7  -3.908  -0.900   0.292
   51    HH2  TRP   7           HH2      TRP   7  -5.170   0.511   1.795
   52    H    THR   8           H        THR   8  -2.066   2.625  -6.803
   53    HA   THR   8           HA       THR   8  -3.187   1.162  -9.079
   54    HB   THR   8           HB       THR   8  -0.530   2.579  -8.809
   55    HG1  THR   8           HG1      THR   8  -3.098   3.524  -9.141
   56   HG21  THR   8          HG21      THR   8  -2.150   1.773 -11.237
   57   HG22  THR   8          HG22      THR   8  -0.671   0.996 -10.671
   58   HG23  THR   8          HG23      THR   8  -0.618   2.657 -11.262
   59    H    PHE   9           H        PHE   9  -2.574  -0.887  -9.504
   60    HA   PHE   9           HA       PHE   9  -0.712  -2.105  -7.660
   61    HB2  PHE   9           HB2      PHE   9  -3.018  -3.116  -8.172
   62    HB3  PHE   9           HB3      PHE   9  -2.313  -3.593  -9.738
   63    HD1  PHE   9           HD1      PHE   9  -1.414  -3.463  -6.300
   64    HD2  PHE   9           HD2      PHE   9  -1.379  -5.795  -9.778
   65    HE1  PHE   9           HE1      PHE   9  -0.268  -5.192  -5.066
   66    HE2  PHE   9           HE2      PHE   9  -0.204  -7.614  -8.530
   67    HZ   PHE   9           HZ       PHE   9   0.358  -7.172  -6.045
   68    H    TYR  10           H        TYR  10   1.237  -2.697  -8.233
   69    HA   TYR  10           HA       TYR  10   1.802  -2.639 -11.120
   70    HB2  TYR  10           HB2      TYR  10   3.139  -1.088  -9.674
   71    HB3  TYR  10           HB3      TYR  10   3.851  -2.502  -8.907
   72    HD1  TYR  10           HD1      TYR  10   5.454  -3.933 -10.181
   73    HD2  TYR  10           HD2      TYR  10   3.801  -0.406 -11.891
   74    HE1  TYR  10           HE1      TYR  10   7.199  -3.965 -11.929
   75    HE2  TYR  10           HE2      TYR  10   5.531  -0.424 -13.624
   76    HH   TYR  10           HH       TYR  10   7.858  -1.313 -13.874
   77    H    ALA  11           H        ALA  11   2.723  -4.522  -8.183
   78    HA   ALA  11           HA       ALA  11   2.664  -6.986  -9.537
   79    HB1  ALA  11           HB1      ALA  11   5.389  -5.779  -9.000
   80    HB2  ALA  11           HB2      ALA  11   4.706  -6.124 -10.590
   81    HB3  ALA  11           HB3      ALA  11   5.084  -7.447  -9.486
   82    H    ASN  12           H        ASN  12   3.588  -8.694  -8.059
   83    HA   ASN  12           HA       ASN  12   3.000  -8.027  -5.278
   84    HB2  ASN  12           HB2      ASN  12   4.207 -10.532  -6.562
   85    HB3  ASN  12           HB3      ASN  12   3.669 -10.377  -4.879
   86   HD21  ASN  12          HD21      ASN  12   1.212  -9.172  -5.244
   87   HD22  ASN  12          HD22      ASN  12   0.172 -10.255  -6.121
   88    H    ARG  13           H        ARG  13   4.631  -7.217  -3.974
   89    HA   ARG  13           HA       ARG  13   7.452  -7.557  -4.820
   90    HB2  ARG  13           HB2      ARG  13   6.010  -4.966  -4.869
   91    HB3  ARG  13           HB3      ARG  13   7.741  -5.035  -4.708
   92    HG2  ARG  13           HG2      ARG  13   6.120  -6.078  -7.019
   93    HG3  ARG  13           HG3      ARG  13   7.025  -4.560  -6.989
   94    HD2  ARG  13           HD2      ARG  13   9.071  -5.949  -6.511
   95    HD3  ARG  13           HD3      ARG  13   8.091  -7.364  -6.879
   96    HE   ARG  13           HE       ARG  13   8.832  -5.214  -8.690
   97   HH11  ARG  13          HH11      ARG  13   7.420  -8.438  -8.221
   98   HH12  ARG  13          HH12      ARG  13   7.706  -8.976  -9.801
   99   HH21  ARG  13          HH21      ARG  13   9.248  -5.972 -10.942
  100   HH22  ARG  13          HH22      ARG  13   8.764  -7.537 -11.379
  101    H    LYS  14           H        LYS  14   8.943  -7.309  -3.393
  102    HA   LYS  14           HA       LYS  14   8.971  -5.264  -1.324
  103    HB2  LYS  14           HB2      LYS  14   8.980  -8.069  -0.367
  104    HB3  LYS  14           HB3      LYS  14  10.266  -7.046   0.241
  105    HG2  LYS  14           HG2      LYS  14   8.689  -6.702   1.819
  106    HG3  LYS  14           HG3      LYS  14   8.282  -5.399   0.674
  107    HD2  LYS  14           HD2      LYS  14   6.850  -7.179  -0.468
  108    HD3  LYS  14           HD3      LYS  14   7.093  -8.074   1.000
  109    HE2  LYS  14           HE2      LYS  14   5.956  -6.546   2.258
  110    HE3  LYS  14           HE3      LYS  14   6.023  -5.337   0.940
  111    HZ1  LYS  14           HZ1      LYS  14   4.910  -7.968   0.555
  112    HZ2  LYS  14           HZ2      LYS  14   4.725  -6.610  -0.387
  113    HZ3  LYS  14           HZ3      LYS  14   3.916  -6.721   1.138
  114    H    TYR  15           H        TYR  15  10.919  -4.475  -0.864
  115    HA   TYR  15           HA       TYR  15  13.104  -5.778  -2.244
  116    HB2  TYR  15           HB2      TYR  15  12.777  -3.282  -2.480
  117    HB3  TYR  15           HB3      TYR  15  13.099  -3.126  -0.763
  118    HD1  TYR  15           HD1      TYR  15  14.846  -5.239  -3.297
  119    HD2  TYR  15           HD2      TYR  15  15.124  -1.902  -0.666
  120    HE1  TYR  15           HE1      TYR  15  17.229  -5.029  -3.820
  121    HE2  TYR  15           HE2      TYR  15  17.514  -1.692  -1.188
  122    HH   TYR  15           HH       TYR  15  19.325  -2.958  -2.047
  123    H    THR  16           H        THR  16  12.187  -7.307  -0.415
  124    HA   THR  16           HA       THR  16  12.632  -8.683   1.165
  125    HB   THR  16           HB       THR  16  14.990  -8.982   1.989
  126    HG1  THR  16           HG1      THR  16  15.314  -6.508   0.919
  127   HG21  THR  16          HG21      THR  16  14.109 -10.195   0.058
  128   HG22  THR  16          HG22      THR  16  15.803  -9.772  -0.193
  129   HG23  THR  16          HG23      THR  16  14.532  -8.847  -0.994
  130    H    ASP  17           H        ASP  17  13.682  -5.467   2.362
  131    HA   ASP  17           HA       ASP  17  13.123  -6.570   5.006
  132    HB2  ASP  17           HB2      ASP  17  15.516  -6.035   4.605
  133    HB3  ASP  17           HB3      ASP  17  15.064  -4.350   4.395
  134    H    PHE  18           H        PHE  18  12.009  -5.530   6.358
  135    HA   PHE  18           HA       PHE  18  10.263  -3.327   5.504
  136    HB2  PHE  18           HB2      PHE  18  10.071  -5.398   7.635
  137    HB3  PHE  18           HB3      PHE  18   9.168  -3.909   7.826
  138    HD1  PHE  18           HD1      PHE  18   9.103  -4.289   4.393
  139    HD2  PHE  18           HD2      PHE  18   7.611  -6.186   7.915
  140    HE1  PHE  18           HE1      PHE  18   7.233  -5.189   3.126
  141    HE2  PHE  18           HE2      PHE  18   5.736  -7.096   6.621
  142    HZ   PHE  18           HZ       PHE  18   5.544  -6.592   4.224
  143    H    ASP  19           H        ASP  19  13.142  -2.819   6.546
  144    HA   ASP  19           HA       ASP  19  13.151  -1.431   8.976
  145    HB2  ASP  19           HB2      ASP  19  15.093  -0.256   8.173
  146    HB3  ASP  19           HB3      ASP  19  15.128  -1.847   7.423
  147    H    LYS  20           H        LYS  20  11.863  -0.648   6.037
  148    HA   LYS  20           HA       LYS  20  11.467   2.114   6.208
  149    HB2  LYS  20           HB2      LYS  20   9.774   1.604   4.310
  150    HB3  LYS  20           HB3      LYS  20  11.491   1.313   4.064
  151    HG2  LYS  20           HG2      LYS  20  11.016  -1.122   4.721
  152    HG3  LYS  20           HG3      LYS  20   9.314  -0.700   4.576
  153    HD2  LYS  20           HD2      LYS  20  10.124  -1.743   2.555
  154    HD3  LYS  20           HD3      LYS  20   9.687  -0.066   2.248
  155    HE2  LYS  20           HE2      LYS  20  11.749  -0.728   1.125
  156    HE3  LYS  20           HE3      LYS  20  12.030   0.592   2.247
  157    HZ1  LYS  20           HZ1      LYS  20  13.717  -1.236   2.198
  158    HZ2  LYS  20           HZ2      LYS  20  12.638  -2.279   2.898
  159    HZ3  LYS  20           HZ3      LYS  20  13.210  -0.922   3.733
  160    H    SER  21           H        SER  21   9.904  -0.270   7.981
  161    HA   SER  21           HA       SER  21   8.447  -0.155   9.631
  162    HB2  SER  21           HB2      SER  21   8.644   2.818   9.285
  163    HB3  SER  21           HB3      SER  21   7.999   1.980  10.700
  164    HG   SER  21           HG       SER  21  10.560   1.376   9.705
  165    H    PHE  22           H        PHE  22   6.689  -1.127   9.105
  166    HA   PHE  22           HA       PHE  22   4.506   0.417   7.885
  167    HB2  PHE  22           HB2      PHE  22   5.068  -2.561   7.632
  168    HB3  PHE  22           HB3      PHE  22   3.674  -1.707   6.956
  169    HD1  PHE  22           HD1      PHE  22   5.737   0.698   6.356
  170    HD2  PHE  22           HD2      PHE  22   5.459  -3.383   5.308
  171    HE1  PHE  22           HE1      PHE  22   6.944   1.193   4.410
  172    HE2  PHE  22           HE2      PHE  22   6.750  -2.925   3.269
  173    HZ   PHE  22           HZ       PHE  22   7.507  -0.643   2.782
  174    H    LYS  23           H        LYS  23   2.435  -0.139   8.743
  175    HA   LYS  23           HA       LYS  23   2.568  -1.440  11.385
  176    HB2  LYS  23           HB2      LYS  23   0.663   0.719  10.439
  177    HB3  LYS  23           HB3      LYS  23   0.611  -0.073  12.005
  178    HG2  LYS  23           HG2      LYS  23   2.745   0.877  12.606
  179    HG3  LYS  23           HG3      LYS  23   2.916   1.576  11.003
  180    HD2  LYS  23           HD2      LYS  23   2.241   3.346  12.461
  181    HD3  LYS  23           HD3      LYS  23   0.848   2.942  11.478
  182    HE2  LYS  23           HE2      LYS  23   1.265   1.919  14.287
  183    HE3  LYS  23           HE3      LYS  23   0.398   3.397  13.917
  184    HZ1  LYS  23           HZ1      LYS  23  -1.153   1.678  14.245
  185    HZ2  LYS  23           HZ2      LYS  23  -0.379   0.611  13.213
  186    HZ3  LYS  23           HZ3      LYS  23  -1.187   1.968  12.602
  187    H    LYS  24           H        LYS  24   1.041  -3.008  11.826
  188    HA   LYS  24           HA       LYS  24  -0.726  -3.651   9.607
  189    HB2  LYS  24           HB2      LYS  24   0.918  -5.276   9.411
  190    HB3  LYS  24           HB3      LYS  24   0.992  -5.633  11.151
  191    HG2  LYS  24           HG2      LYS  24  -1.330  -6.264   9.290
  192    HG3  LYS  24           HG3      LYS  24   0.011  -7.364   9.548
  193    HD2  LYS  24           HD2      LYS  24  -1.856  -6.379  11.717
  194    HD3  LYS  24           HD3      LYS  24  -2.045  -7.902  10.853
  195    HE2  LYS  24           HE2      LYS  24   0.351  -7.139  12.533
  196    HE3  LYS  24           HE3      LYS  24  -0.982  -8.153  13.073
  197    HZ1  LYS  24           HZ1      LYS  24  -0.413  -9.697  11.231
  198    HZ2  LYS  24           HZ2      LYS  24   0.780  -9.553  12.406
  199    HZ3  LYS  24           HZ3      LYS  24   0.995  -8.796  10.941
  200    H    SER  25           H        SER  25  -2.656  -3.488  10.082
  201    HA   SER  25           HA       SER  25  -3.759  -4.991  12.224
  202    HB2  SER  25           HB2      SER  25  -5.312  -2.980  12.726
  203    HB3  SER  25           HB3      SER  25  -3.664  -2.832  13.334
  204    HG   SER  25           HG       SER  25  -4.928  -1.606  11.179
  205    H    SER  26           H        SER  26  -5.655  -6.015  11.211
  206    HA   SER  26           HA       SER  26  -5.787  -5.117   8.443
  207    HB2  SER  26           HB2      SER  26  -7.006  -7.579   9.704
  208    HB3  SER  26           HB3      SER  26  -6.833  -7.236   7.978
  209    HG   SER  26           HG       SER  26  -5.055  -8.350   9.639
  210    H    ASP  27           H        ASP  27  -6.928  -3.406   8.467
  211    HA   ASP  27           HA       ASP  27  -9.833  -3.489   9.057
  212    HB2  ASP  27           HB2      ASP  27  -7.997  -1.150   9.431
  213    HB3  ASP  27           HB3      ASP  27  -9.713  -1.268   9.792
  214    H    LEU  28           H        LEU  28 -10.710  -3.478   7.109
  215    HA   LEU  28           HA       LEU  28  -9.163  -2.483   4.924
  216    HB2  LEU  28           HB2      LEU  28 -11.020  -4.257   4.821
  217    HB3  LEU  28           HB3      LEU  28 -12.158  -2.945   4.963
  218    HG   LEU  28           HG       LEU  28 -10.245  -3.275   2.634
  219   HD11  LEU  28          HD11      LEU  28 -11.767  -5.133   2.726
  220   HD12  LEU  28          HD12      LEU  28 -12.233  -4.046   1.412
  221   HD13  LEU  28          HD13      LEU  28 -13.131  -4.038   2.926
  222   HD21  LEU  28          HD21      LEU  28 -11.715  -1.707   1.484
  223   HD22  LEU  28          HD22      LEU  28 -11.068  -0.965   2.948
  224   HD23  LEU  28          HD23      LEU  28 -12.725  -1.574   2.922
  225    H    ASP  29           H        ASP  29 -11.969  -1.163   6.685
  226    HA   ASP  29           HA       ASP  29 -12.031   1.313   5.325
  227    HB2  ASP  29           HB2      ASP  29 -12.682   0.651   8.153
  228    HB3  ASP  29           HB3      ASP  29 -13.172   2.145   7.364
  229    H    GLU  30           H        GLU  30 -10.542   0.232   8.306
  230    HA   GLU  30           HA       GLU  30  -9.575   2.775   8.821
  231    HB2  GLU  30           HB2      GLU  30  -8.913   0.363  10.494
  232    HB3  GLU  30           HB3      GLU  30  -8.567   2.035  10.890
  233    HG2  GLU  30           HG2      GLU  30 -11.026   2.515  10.629
  234    HG3  GLU  30           HG3      GLU  30 -11.264   0.773  10.571
  235    H    CYS  31           H        CYS  31  -7.953   0.114   7.476
  236    HA   CYS  31           HA       CYS  31  -5.350   1.281   7.601
  237    HB2  CYS  31           HB2      CYS  31  -6.595  -0.591   5.578
  238    HB3  CYS  31           HB3      CYS  31  -4.931   0.008   5.386
  239    H    LYS  32           H        LYS  32  -7.926   1.787   5.381
  240    HA   LYS  32           HA       LYS  32  -6.347   3.258   3.551
  241    HB2  LYS  32           HB2      LYS  32  -9.373   3.009   3.824
  242    HB3  LYS  32           HB3      LYS  32  -8.569   4.013   2.674
  243    HG2  LYS  32           HG2      LYS  32  -9.392   1.704   1.979
  244    HG3  LYS  32           HG3      LYS  32  -7.845   2.267   1.375
  245    HD2  LYS  32           HD2      LYS  32  -6.751   0.930   3.143
  246    HD3  LYS  32           HD3      LYS  32  -8.331   0.369   3.669
  247    HE2  LYS  32           HE2      LYS  32  -8.793  -0.728   1.578
  248    HE3  LYS  32           HE3      LYS  32  -7.358  -0.036   0.835
  249    HZ1  LYS  32           HZ1      LYS  32  -5.964  -1.463   2.171
  250    HZ2  LYS  32           HZ2      LYS  32  -7.087  -2.355   1.398
  251    HZ3  LYS  32           HZ3      LYS  32  -7.263  -2.092   3.033
  252    H    LYS  33           H        LYS  33  -8.511   3.938   6.159
  253    HA   LYS  33           HA       LYS  33  -8.470   6.689   5.936
  254    HB2  LYS  33           HB2      LYS  33  -9.749   6.714   7.894
  255    HB3  LYS  33           HB3      LYS  33  -9.880   5.000   7.491
  256    HG2  LYS  33           HG2      LYS  33  -8.172   4.436   8.929
  257    HG3  LYS  33           HG3      LYS  33  -7.823   6.122   9.328
  258    HD2  LYS  33           HD2      LYS  33 -10.186   6.269  10.236
  259    HD3  LYS  33           HD3      LYS  33 -10.278   4.513  10.069
  260    HE2  LYS  33           HE2      LYS  33  -8.302   4.283  11.514
  261    HE3  LYS  33           HE3      LYS  33  -8.250   6.032  11.705
  262    HZ1  LYS  33           HZ1      LYS  33  -9.347   5.174  13.596
  263    HZ2  LYS  33           HZ2      LYS  33 -10.308   4.147  12.678
  264    HZ3  LYS  33           HZ3      LYS  33 -10.573   5.802  12.627
  265    H    THR  34           H        THR  34  -6.324   4.389   7.685
  266    HA   THR  34           HA       THR  34  -4.872   6.333   9.030
  267    HB   THR  34           HB       THR  34  -3.902   3.563   8.266
  268    HG1  THR  34           HG1      THR  34  -5.864   3.395   9.406
  269   HG21  THR  34          HG21      THR  34  -2.170   5.076   9.113
  270   HG22  THR  34          HG22      THR  34  -2.539   3.830  10.303
  271   HG23  THR  34          HG23      THR  34  -3.173   5.464  10.512
  272    H    CYS  35           H        CYS  35  -4.413   4.724   5.915
  273    HA   CYS  35           HA       CYS  35  -2.156   6.233   5.558
  274    HB2  CYS  35           HB2      CYS  35  -3.524   4.360   3.769
  275    HB3  CYS  35           HB3      CYS  35  -2.567   5.615   2.945
  276    H    PHE  36           H        PHE  36  -5.360   7.097   4.726
  277    HA   PHE  36           HA       PHE  36  -4.651   9.356   3.186
  278    HB2  PHE  36           HB2      PHE  36  -7.063   9.063   4.985
  279    HB3  PHE  36           HB3      PHE  36  -6.871  10.241   3.702
  280    HD1  PHE  36           HD1      PHE  36  -5.628   8.135   1.733
  281    HD2  PHE  36           HD2      PHE  36  -9.105   8.222   4.188
  282    HE1  PHE  36           HE1      PHE  36  -6.734   6.565   0.220
  283    HE2  PHE  36           HE2      PHE  36 -10.218   6.651   2.673
  284    HZ   PHE  36           HZ       PHE  36  -9.037   5.821   0.685
  285    H    LYS  37           H        LYS  37  -4.963   8.800   6.644
  286    HA   LYS  37           HA       LYS  37  -4.906  11.477   7.242
  287    HB2  LYS  37           HB2      LYS  37  -4.594  10.963   9.573
  288    HB3  LYS  37           HB3      LYS  37  -5.857   9.986   8.846
  289    HG2  LYS  37           HG2      LYS  37  -4.098   8.162   8.683
  290    HG3  LYS  37           HG3      LYS  37  -3.120   9.171   9.740
  291    HD2  LYS  37           HD2      LYS  37  -5.901   8.169  10.396
  292    HD3  LYS  37           HD3      LYS  37  -4.408   7.450  10.981
  293    HE2  LYS  37           HE2      LYS  37  -5.237  10.301  11.512
  294    HE3  LYS  37           HE3      LYS  37  -5.562   8.962  12.602
  295    HZ1  LYS  37           HZ1      LYS  37  -2.853   9.821  11.748
  296    HZ2  LYS  37           HZ2      LYS  37  -3.202   8.635  12.894
  297    HZ3  LYS  37           HZ3      LYS  37  -3.578  10.248  13.194
  298    H    THR  38           H        THR  38  -1.773   9.386   7.200
  299    HA   THR  38           HA       THR  38  -0.474  11.718   8.434
  300    HB   THR  38           HB       THR  38   0.959   9.743   6.699
  301    HG1  THR  38           HG1      THR  38  -0.505   9.261   9.079
  302   HG21  THR  38          HG21      THR  38   2.274  11.344   8.009
  303   HG22  THR  38          HG22      THR  38   2.505   9.713   8.621
  304   HG23  THR  38          HG23      THR  38   1.452  10.834   9.486
  305    H    GLU  39           H        GLU  39   1.783  12.419   6.600
  306    HA   GLU  39           HA       GLU  39   0.758  12.835   3.968
  307    HB2  GLU  39           HB2      GLU  39   3.518  13.191   5.067
  308    HB3  GLU  39           HB3      GLU  39   3.121  13.412   3.372
  309    HG2  GLU  39           HG2      GLU  39   1.531  15.153   3.965
  310    HG3  GLU  39           HG3      GLU  39   1.942  14.946   5.667
  311    H    TYR  40           H        TYR  40   2.871  10.860   5.443
  312    HA   TYR  40           HA       TYR  40   4.145   9.756   3.254
  313    HB2  TYR  40           HB2      TYR  40   4.201   8.703   6.061
  314    HB3  TYR  40           HB3      TYR  40   5.355   8.452   4.743
  315    HD1  TYR  40           HD1      TYR  40   6.597  10.446   3.842
  316    HD2  TYR  40           HD2      TYR  40   4.476  10.560   7.512
  317    HE1  TYR  40           HE1      TYR  40   7.900  12.406   4.521
  318    HE2  TYR  40           HE2      TYR  40   5.774  12.532   8.207
  319    HH   TYR  40           HH       TYR  40   7.917  13.569   7.700
  320    H    CYS  41           H        CYS  41   1.378   8.809   4.899
  321    HA   CYS  41           HA       CYS  41   1.834   6.017   4.312
  322    HB2  CYS  41           HB2      CYS  41   0.628   7.018   6.315
  323    HB3  CYS  41           HB3      CYS  41  -0.733   7.237   5.218
  324    H    TYR  42           H        TYR  42   2.109   6.207   2.122
  325    HA   TYR  42           HA       TYR  42  -0.389   6.162   0.615
  326    HB2  TYR  42           HB2      TYR  42   0.949   7.241  -1.342
  327    HB3  TYR  42           HB3      TYR  42   0.347   8.275  -0.055
  328    HD1  TYR  42           HD1      TYR  42   3.368   6.132  -0.265
  329    HD2  TYR  42           HD2      TYR  42   1.856  10.059   0.170
  330    HE1  TYR  42           HE1      TYR  42   5.638   6.941   0.142
  331    HE2  TYR  42           HE2      TYR  42   4.142  10.896   0.592
  332    HH   TYR  42           HH       TYR  42   6.268  10.137   1.253
  333    H    ILE  43           H        ILE  43   2.170   4.335   1.534
  334    HA   ILE  43           HA       ILE  43   1.980   2.770  -0.965
  335    HB   ILE  43           HB       ILE  43   4.286   2.464   1.012
  336   HG12  ILE  43          HG12      ILE  43   4.563   4.700   0.099
  337   HG13  ILE  43          HG13      ILE  43   5.761   3.623  -0.561
  338   HG21  ILE  43          HG21      ILE  43   3.955   1.504  -1.809
  339   HG22  ILE  43          HG22      ILE  43   3.843   0.535  -0.340
  340   HG23  ILE  43          HG23      ILE  43   5.383   1.263  -0.803
  341   HD11  ILE  43          HD11      ILE  43   4.474   3.437  -2.639
  342   HD12  ILE  43          HD12      ILE  43   4.938   5.103  -2.272
  343   HD13  ILE  43          HD13      ILE  43   3.289   4.568  -1.970
  344    H    VAL  44           H        VAL  44   1.159   0.693  -0.610
  345    HA   VAL  44           HA       VAL  44   0.955  -0.056   2.205
  346    HB   VAL  44           HB       VAL  44  -1.203  -0.527   0.305
  347   HG11  VAL  44          HG11      VAL  44  -1.396  -1.755   2.317
  348   HG12  VAL  44          HG12      VAL  44  -2.684  -0.549   2.309
  349   HG13  VAL  44          HG13      VAL  44  -1.240  -0.293   3.287
  350   HG21  VAL  44          HG21      VAL  44  -1.118   1.825   0.065
  351   HG22  VAL  44          HG22      VAL  44  -1.012   2.089   1.817
  352   HG23  VAL  44          HG23      VAL  44  -2.499   1.478   1.067
  353    H    PHE  45           H        PHE  45   0.950  -2.347   2.495
  354    HA   PHE  45           HA       PHE  45   1.039  -3.911   0.019
  355    HB2  PHE  45           HB2      PHE  45   2.794  -4.332   2.461
  356    HB3  PHE  45           HB3      PHE  45   2.686  -5.421   1.087
  357    HD1  PHE  45           HD1      PHE  45   3.368  -4.535  -1.171
  358    HD2  PHE  45           HD2      PHE  45   4.325  -2.577   2.463
  359    HE1  PHE  45           HE1      PHE  45   5.148  -3.276  -2.310
  360    HE2  PHE  45           HE2      PHE  45   6.072  -1.304   1.322
  361    HZ   PHE  45           HZ       PHE  45   6.486  -1.654  -1.067
  362    H    GLU  46           H        GLU  46  -0.396  -5.487   0.109
  363    HA   GLU  46           HA       GLU  46  -1.367  -6.163   2.776
  364    HB2  GLU  46           HB2      GLU  46  -3.064  -5.569   0.385
  365    HB3  GLU  46           HB3      GLU  46  -3.713  -6.219   1.908
  366    HG2  GLU  46           HG2      GLU  46  -2.598  -4.145   3.017
  367    HG3  GLU  46           HG3      GLU  46  -2.430  -3.547   1.396
  368    H    ASP  47           H        ASP  47  -1.895  -8.154   3.214
  369    HA   ASP  47           HA       ASP  47  -0.622 -10.095   1.407
  370    HB2  ASP  47           HB2      ASP  47   0.082  -9.781   3.824
  371    HB3  ASP  47           HB3      ASP  47  -1.473 -10.502   4.262
  372    H    THR  48           H        THR  48  -1.842 -11.387   0.270
  373    HA   THR  48           HA       THR  48  -4.692 -11.428   0.717
  374    HB   THR  48           HB       THR  48  -3.124 -12.976  -1.370
  375    HG1  THR  48           HG1      THR  48  -3.215 -11.179  -2.625
  376   HG21  THR  48          HG21      THR  48  -5.507 -13.592  -1.122
  377   HG22  THR  48          HG22      THR  48  -5.211 -12.785  -2.662
  378   HG23  THR  48          HG23      THR  48  -5.961 -11.902  -1.331
  379    H    VAL  49           H        VAL  49  -1.995 -13.402   1.563
  380    HA   VAL  49           HA       VAL  49  -3.428 -15.919   1.623
  381    HB   VAL  49           HB       VAL  49  -0.716 -15.196   2.761
  382   HG11  VAL  49          HG11      VAL  49  -1.606 -17.242   3.701
  383   HG12  VAL  49          HG12      VAL  49  -0.242 -17.590   2.635
  384   HG13  VAL  49          HG13      VAL  49  -1.889 -17.885   2.082
  385   HG21  VAL  49          HG21      VAL  49  -0.762 -14.743   0.378
  386   HG22  VAL  49          HG22      VAL  49  -1.402 -16.358   0.071
  387   HG23  VAL  49          HG23      VAL  49   0.231 -16.163   0.713
  388    H    ASN  50           H        ASN  50  -2.060 -13.665   3.828
  389    HA   ASN  50           HA       ASN  50  -3.209 -14.929   6.192
  390    HB2  ASN  50           HB2      ASN  50  -1.469 -12.480   5.851
  391    HB3  ASN  50           HB3      ASN  50  -1.986 -13.130   7.399
  392   HD21  ASN  50          HD21      ASN  50   0.018 -13.655   4.594
  393   HD22  ASN  50          HD22      ASN  50   1.021 -14.864   5.333
  394    H    LYS  51           H        LYS  51  -4.030 -12.598   3.926
  395    HA   LYS  51           HA       LYS  51  -5.595 -10.979   3.715
  396    HB2  LYS  51           HB2      LYS  51  -6.832 -12.498   6.012
  397    HB3  LYS  51           HB3      LYS  51  -7.633 -11.129   5.264
  398    HG2  LYS  51           HG2      LYS  51  -6.850 -13.693   3.877
  399    HG3  LYS  51           HG3      LYS  51  -8.473 -13.269   4.410
  400    HD2  LYS  51           HD2      LYS  51  -6.844 -11.827   2.291
  401    HD3  LYS  51           HD3      LYS  51  -8.231 -12.872   2.014
  402    HE2  LYS  51           HE2      LYS  51  -9.652 -11.294   3.286
  403    HE3  LYS  51           HE3      LYS  51  -8.256 -10.247   3.508
  404    HZ1  LYS  51           HZ1      LYS  51  -9.633  -9.486   1.708
  405    HZ2  LYS  51           HZ2      LYS  51  -9.516 -10.966   0.928
  406    HZ3  LYS  51           HZ3      LYS  51  -8.151  -9.977   1.077
  407    H    GLU  52           H        GLU  52  -3.308 -10.357   5.082
  408    HA   GLU  52           HA       GLU  52  -4.252  -8.632   7.248
  409    HB2  GLU  52           HB2      GLU  52  -1.445  -9.683   6.815
  410    HB3  GLU  52           HB3      GLU  52  -1.921  -8.569   8.089
  411    HG2  GLU  52           HG2      GLU  52  -3.573 -10.258   8.858
  412    HG3  GLU  52           HG3      GLU  52  -2.874 -11.383   7.711
  413    H    CYS  53           H        CYS  53  -2.984  -6.561   7.560
  414    HA   CYS  53           HA       CYS  53  -2.701  -5.333   4.927
  415    HB2  CYS  53           HB2      CYS  53  -4.935  -4.857   5.743
  416    HB3  CYS  53           HB3      CYS  53  -4.278  -4.401   7.321
  417    H    TYR  54           H        TYR  54  -0.718  -4.401   4.821
  418    HA   TYR  54           HA       TYR  54   0.348  -3.270   7.307
  419    HB2  TYR  54           HB2      TYR  54   1.805  -4.578   4.983
  420    HB3  TYR  54           HB3      TYR  54   2.608  -3.608   6.199
  421    HD1  TYR  54           HD1      TYR  54   0.270  -6.540   6.089
  422    HD2  TYR  54           HD2      TYR  54   3.730  -4.793   7.820
  423    HE1  TYR  54           HE1      TYR  54   0.636  -8.589   7.403
  424    HE2  TYR  54           HE2      TYR  54   4.101  -6.830   9.147
  425    HH   TYR  54           HH       TYR  54   2.559  -9.727   8.509
  426    H    TYR  55           H        TYR  55   0.590  -1.193   7.118
  427    HA   TYR  55           HA       TYR  55   0.629  -0.115   4.415
  428    HB2  TYR  55           HB2      TYR  55  -0.643   1.949   5.360
  429    HB3  TYR  55           HB3      TYR  55  -1.511   0.452   5.189
  430    HD1  TYR  55           HD1      TYR  55   0.110   2.625   7.688
  431    HD2  TYR  55           HD2      TYR  55  -2.537  -0.621   7.007
  432    HE1  TYR  55           HE1      TYR  55  -0.619   2.727  10.030
  433    HE2  TYR  55           HE2      TYR  55  -3.272  -0.533   9.351
  434    HH   TYR  55           HH       TYR  55  -2.463   0.236  11.442
  435    H    ASN  56           H        ASN  56   2.036   1.282   3.817
  436    HA   ASN  56           HA       ASN  56   4.417   1.673   5.487
  437    HB2  ASN  56           HB2      ASN  56   4.868   1.387   3.147
  438    HB3  ASN  56           HB3      ASN  56   3.609   2.570   2.751
  439   HD21  ASN  56          HD21      ASN  56   4.091   4.690   2.756
  440   HD22  ASN  56          HD22      ASN  56   5.684   5.349   2.976
  441    H    VAL  57           H        VAL  57   4.793   3.065   6.837
  442    HA   VAL  57           HA       VAL  57   2.926   5.343   6.858
  443    HB   VAL  57           HB       VAL  57   3.212   5.553   9.259
  444   HG11  VAL  57          HG11      VAL  57   1.457   4.125   8.422
  445   HG12  VAL  57          HG12      VAL  57   2.098   3.506   9.944
  446   HG13  VAL  57          HG13      VAL  57   2.555   2.747   8.419
  447   HG21  VAL  57          HG21      VAL  57   4.424   3.848  10.564
  448   HG22  VAL  57          HG22      VAL  57   5.505   4.764   9.512
  449   HG23  VAL  57          HG23      VAL  57   5.013   3.134   9.062
  450    H    VAL  58           H        VAL  58   6.031   4.705   6.162
  451    HA   VAL  58           HA       VAL  58   6.823   7.411   7.045
  452    HB   VAL  58           HB       VAL  58   8.851   5.302   6.254
  453   HG11  VAL  58          HG11      VAL  58   9.098   7.769   7.948
  454   HG12  VAL  58          HG12      VAL  58   9.908   7.416   6.404
  455   HG13  VAL  58          HG13      VAL  58  10.326   6.522   7.848
  456   HG21  VAL  58          HG21      VAL  58   9.154   4.716   8.624
  457   HG22  VAL  58          HG22      VAL  58   7.554   4.271   8.020
  458   HG23  VAL  58          HG23      VAL  58   7.751   5.707   9.025
  459    H    ASP  59           H        ASP  59   8.768   8.076   5.441
  460    HA   ASP  59           HA       ASP  59   7.490   8.781   3.041
  461    HB2  ASP  59           HB2      ASP  59   9.093  10.215   4.216
  462    HB3  ASP  59           HB3      ASP  59  10.357   9.019   3.919
  463    H    GLY  60           H        GLY  60   7.244   7.516   1.502
  464    HA2  GLY  60           HA2      GLY  60   9.324   5.684   0.704
  465    HA3  GLY  60           HA3      GLY  60   7.774   4.998   1.172
  466    H    GLU  61           H        GLU  61   7.872   8.095  -0.490
  467    HA   GLU  61           HA       GLU  61   6.465   7.030  -2.748
  468    HB2  GLU  61           HB2      GLU  61   6.349   9.452  -2.086
  469    HB3  GLU  61           HB3      GLU  61   8.048   9.626  -2.506
  470    HG2  GLU  61           HG2      GLU  61   7.460   8.973  -4.842
  471    HG3  GLU  61           HG3      GLU  61   5.766   9.035  -4.371
  472    H    GLU  62           H        GLU  62   9.607   7.460  -1.713
  473    HA   GLU  62           HA       GLU  62  11.084   6.960  -4.045
  474    HB2  GLU  62           HB2      GLU  62  11.839   8.068  -1.908
  475    HB3  GLU  62           HB3      GLU  62  11.840   6.477  -1.169
  476    HG2  GLU  62           HG2      GLU  62  14.075   7.059  -1.771
  477    HG3  GLU  62           HG3      GLU  62  13.524   5.778  -2.848
  478    H    LEU  63           H        LEU  63   8.970   4.902  -2.237
  479    HA   LEU  63           HA       LEU  63  10.624   2.565  -2.705
  480    HB2  LEU  63           HB2      LEU  63   7.646   2.602  -2.049
  481    HB3  LEU  63           HB3      LEU  63   8.730   1.222  -2.006
  482    HG   LEU  63           HG       LEU  63   8.829   3.588  -0.143
  483   HD11  LEU  63          HD11      LEU  63   8.053   0.723   0.339
  484   HD12  LEU  63          HD12      LEU  63   6.983   2.127   0.367
  485   HD13  LEU  63          HD13      LEU  63   8.244   1.955   1.583
  486   HD21  LEU  63          HD21      LEU  63  10.565   1.120  -0.214
  487   HD22  LEU  63          HD22      LEU  63  10.572   2.345   1.053
  488   HD23  LEU  63          HD23      LEU  63  11.078   2.769  -0.580
  489    H    ASP  64           H        ASP  64  11.065   2.189  -4.677
  490    HA   ASP  64           HA       ASP  64   9.042   2.480  -6.734
  491    HB2  ASP  64           HB2      ASP  64  11.233   3.565  -7.073
  492    HB3  ASP  64           HB3      ASP  64  11.999   1.979  -7.020
  493    H    GLN  65           H        GLN  65   8.333   0.919  -7.861
  494    HA   GLN  65           HA       GLN  65   7.895  -1.627  -6.755
  495    HB2  GLN  65           HB2      GLN  65   7.576  -0.973  -9.654
  496    HB3  GLN  65           HB3      GLN  65   6.658  -2.083  -8.677
  497    HG2  GLN  65           HG2      GLN  65   5.253  -0.404  -9.151
  498    HG3  GLN  65           HG3      GLN  65   5.749   0.014  -7.493
  499   HE21  GLN  65          HE21      GLN  65   4.548   1.574  -9.622
  500   HE22  GLN  65          HE22      GLN  65   5.605   2.908  -9.918
  501    H    GLU  66           H        GLU  66  10.100  -0.378  -9.091
  502    HA   GLU  66           HA       GLU  66  10.568  -2.965 -10.255
  503    HB2  GLU  66           HB2      GLU  66  11.660  -0.269 -11.012
  504    HB3  GLU  66           HB3      GLU  66  11.661  -1.730 -12.004
  505    HG2  GLU  66           HG2      GLU  66   9.271  -1.729 -12.131
  506    HG3  GLU  66           HG3      GLU  66   9.118  -0.372 -11.034
  507    H    LYS  67           H        LYS  67  12.005  -0.888  -7.948
  508    HA   LYS  67           HA       LYS  67  14.471  -2.450  -8.113
  509    HB2  LYS  67           HB2      LYS  67  13.864  -0.053  -6.342
  510    HB3  LYS  67           HB3      LYS  67  15.369  -0.957  -6.279
  511    HG2  LYS  67           HG2      LYS  67  15.847   0.927  -7.583
  512    HG3  LYS  67           HG3      LYS  67  15.626  -0.375  -8.756
  513    HD2  LYS  67           HD2      LYS  67  13.163   0.450  -8.833
  514    HD3  LYS  67           HD3      LYS  67  13.804   1.871  -8.037
  515    HE2  LYS  67           HE2      LYS  67  15.337   2.261  -9.885
  516    HE3  LYS  67           HE3      LYS  67  14.736   0.810 -10.686
  517    HZ1  LYS  67           HZ1      LYS  67  13.570   2.590 -11.647
  518    HZ2  LYS  67           HZ2      LYS  67  13.241   3.309 -10.139
  519    HZ3  LYS  67           HZ3      LYS  67  12.483   1.881 -10.545
  520    H    PHE  68           H        PHE  68  11.575  -2.516  -6.805
  521    HA   PHE  68           HA       PHE  68  12.118  -4.030  -4.458
  522    HB2  PHE  68           HB2      PHE  68   9.711  -3.020  -5.866
  523    HB3  PHE  68           HB3      PHE  68   9.551  -4.559  -5.008
  524    HD1  PHE  68           HD1      PHE  68  11.273  -1.311  -4.182
  525    HD2  PHE  68           HD2      PHE  68   8.434  -4.272  -3.034
  526    HE1  PHE  68           HE1      PHE  68  10.867  -0.139  -2.051
  527    HE2  PHE  68           HE2      PHE  68   8.050  -3.126  -0.951
  528    HZ   PHE  68           HZ       PHE  68   9.210  -1.099  -0.417
  529    H    VAL  69           H        VAL  69  11.571  -6.262  -4.257
  530    HA   VAL  69           HA       VAL  69  11.993  -7.763  -6.754
  531    HB   VAL  69           HB       VAL  69  12.867  -8.428  -3.896
  532   HG11  VAL  69          HG11      VAL  69  12.415 -10.403  -5.190
  533   HG12  VAL  69          HG12      VAL  69  14.152 -10.267  -4.874
  534   HG13  VAL  69          HG13      VAL  69  13.499  -9.857  -6.470
  535   HG21  VAL  69          HG21      VAL  69  14.570  -7.541  -6.222
  536   HG22  VAL  69          HG22      VAL  69  15.168  -8.033  -4.636
  537   HG23  VAL  69          HG23      VAL  69  14.176  -6.579  -4.799
  538    H    VAL  70           H        VAL  70  10.994 -10.099  -6.345
  539    HA   VAL  70           HA       VAL  70   8.366  -9.344  -5.636
  540    HB   VAL  70           HB       VAL  70   8.458 -10.128  -7.565
  541   HG11  VAL  70          HG11      VAL  70   9.830 -12.666  -6.552
  542   HG12  VAL  70          HG12      VAL  70  10.535 -11.457  -7.626
  543   HG13  VAL  70          HG13      VAL  70   9.263 -12.528  -8.213
  544   HG21  VAL  70          HG21      VAL  70   6.957 -12.190  -7.637
  545   HG22  VAL  70          HG22      VAL  70   6.457 -10.901  -6.537
  546   HG23  VAL  70          HG23      VAL  70   7.259 -12.337  -5.905
  547    H    ASP  71           H        ASP  71   7.431  -9.505  -4.058
  548    HA   ASP  71           HA       ASP  71   7.602 -11.802  -2.223
  549    HB2  ASP  71           HB2      ASP  71   8.199  -9.770  -1.083
  550    HB3  ASP  71           HB3      ASP  71   6.872  -8.900  -1.835
  551    H    GLU  72           H        GLU  72   6.061 -13.133  -2.741
  552    HA   GLU  72           HA       GLU  72   3.919 -12.289  -4.465
  553    HB2  GLU  72           HB2      GLU  72   3.429 -14.667  -4.750
  554    HB3  GLU  72           HB3      GLU  72   5.110 -14.295  -5.067
  555    HG2  GLU  72           HG2      GLU  72   4.093 -15.504  -2.490
  556    HG3  GLU  72           HG3      GLU  72   4.714 -16.436  -3.847
  557    H    ASN  73           H        ASN  73   4.228 -13.265  -1.173
  558    HA   ASN  73           HA       ASN  73   1.488 -13.891  -0.873
  559    HB2  ASN  73           HB2      ASN  73   1.905 -13.644   1.678
  560    HB3  ASN  73           HB3      ASN  73   2.734 -14.923   0.815
  561   HD21  ASN  73          HD21      ASN  73   3.717 -11.580   0.679
  562   HD22  ASN  73          HD22      ASN  73   5.221 -11.792   1.480
  563    H    PHE  74           H        PHE  74   3.050 -10.846  -0.878
  564    HA   PHE  74           HA       PHE  74   0.538  -9.615   0.015
  565    HB2  PHE  74           HB2      PHE  74   3.306  -8.461  -0.083
  566    HB3  PHE  74           HB3      PHE  74   1.865  -7.512   0.167
  567    HD1  PHE  74           HD1      PHE  74   4.199  -9.875   1.638
  568    HD2  PHE  74           HD2      PHE  74   0.786  -7.491   2.278
  569    HE1  PHE  74           HE1      PHE  74   4.465 -10.165   4.070
  570    HE2  PHE  74           HE2      PHE  74   1.049  -7.735   4.690
  571    HZ   PHE  74           HZ       PHE  74   2.873  -9.076   5.602
  572    H    THR  75           H        THR  75   0.141  -7.528  -1.059
  573    HA   THR  75           HA       THR  75   0.823  -7.634  -3.911
  574    HB   THR  75           HB       THR  75  -1.389  -6.499  -4.154
  575    HG1  THR  75           HG1      THR  75  -1.942  -7.296  -1.483
  576   HG21  THR  75          HG21      THR  75  -1.203  -8.939  -4.448
  577   HG22  THR  75          HG22      THR  75  -2.779  -8.475  -3.796
  578   HG23  THR  75          HG23      THR  75  -1.549  -9.155  -2.733
  579    H    GLU  76           H        GLU  76   1.846  -5.760  -4.762
  580    HA   GLU  76           HA       GLU  76   2.288  -3.814  -2.746
  581    HB2  GLU  76           HB2      GLU  76   4.291  -4.465  -3.798
  582    HB3  GLU  76           HB3      GLU  76   3.569  -4.408  -5.393
  583    HG2  GLU  76           HG2      GLU  76   3.410  -1.925  -5.143
  584    HG3  GLU  76           HG3      GLU  76   4.380  -2.060  -3.681
  585    H    ASN  77           H        ASN  77   1.109  -1.979  -2.809
  586    HA   ASN  77           HA       ASN  77   0.157  -1.112  -5.322
  587    HB2  ASN  77           HB2      ASN  77  -2.277  -1.196  -4.740
  588    HB3  ASN  77           HB3      ASN  77  -1.477  -2.762  -4.639
  589   HD21  ASN  77          HD21      ASN  77  -0.423  -2.188  -1.862
  590   HD22  ASN  77          HD22      ASN  77  -1.842  -2.359  -0.884
  591    H    TYR  78           H        TYR  78   0.202   1.031  -5.422
  592    HA   TYR  78           HA       TYR  78   0.485   2.418  -2.855
  593    HB2  TYR  78           HB2      TYR  78   2.458   3.657  -3.574
  594    HB3  TYR  78           HB3      TYR  78   2.767   1.985  -3.897
  595    HD1  TYR  78           HD1      TYR  78   1.393   1.687  -6.594
  596    HD2  TYR  78           HD2      TYR  78   3.833   4.776  -4.972
  597    HE1  TYR  78           HE1      TYR  78   2.074   2.326  -8.861
  598    HE2  TYR  78           HE2      TYR  78   4.503   5.442  -7.248
  599    HH   TYR  78           HH       TYR  78   2.948   4.255 -10.068
  600    H    LEU  79           H        LEU  79  -0.197   4.549  -2.735
  601    HA   LEU  79           HA       LEU  79  -2.219   5.147  -4.713
  602    HB2  LEU  79           HB2      LEU  79  -2.954   5.304  -2.437
  603    HB3  LEU  79           HB3      LEU  79  -1.632   6.384  -2.034
  604    HG   LEU  79           HG       LEU  79  -2.595   8.096  -3.520
  605   HD11  LEU  79          HD11      LEU  79  -4.836   7.909  -4.374
  606   HD12  LEU  79          HD12      LEU  79  -4.948   6.263  -3.779
  607   HD13  LEU  79          HD13      LEU  79  -3.795   6.660  -5.060
  608   HD21  LEU  79          HD21      LEU  79  -4.516   8.682  -2.090
  609   HD22  LEU  79          HD22      LEU  79  -3.122   8.158  -1.137
  610   HD23  LEU  79          HD23      LEU  79  -4.481   7.061  -1.415
  611    H    THR  80           H        THR  80  -1.484   6.039  -6.386
  612    HA   THR  80           HA       THR  80   0.090   8.467  -6.141
  613    HB   THR  80           HB       THR  80   1.614   6.744  -6.955
  614    HG1  THR  80           HG1      THR  80   0.896   8.304  -9.230
  615   HG21  THR  80          HG21      THR  80   1.240   5.553  -9.086
  616   HG22  THR  80          HG22      THR  80  -0.367   6.271  -9.196
  617   HG23  THR  80          HG23      THR  80   0.007   5.148  -7.890
  618    H    ASP  81           H        ASP  81  -0.975  10.136  -6.959
  619    HA   ASP  81           HA       ASP  81  -2.289  11.506  -8.132
  620    HB2  ASP  81           HB2      ASP  81  -2.302  11.302 -10.622
  621    HB3  ASP  81           HB3      ASP  81  -0.723  11.282  -9.859
  622    H    CYS  82           H        CYS  82  -3.607   8.383  -8.146
  623    HA   CYS  82           HA       CYS  82  -5.995   9.063  -9.587
  624    HB2  CYS  82           HB2      CYS  82  -5.022   6.737  -9.442
  625    HB3  CYS  82           HB3      CYS  82  -5.526   6.683  -7.763
  626    H    GLU  83           H        GLU  83  -4.919  10.010  -6.702
  627    HA   GLU  83           HA       GLU  83  -6.614   9.680  -4.632
  628    HB2  GLU  83           HB2      GLU  83  -5.381  12.275  -5.520
  629    HB3  GLU  83           HB3      GLU  83  -6.015  11.943  -3.915
  630    HG2  GLU  83           HG2      GLU  83  -4.351  10.272  -3.535
  631    HG3  GLU  83           HG3      GLU  83  -3.780  10.403  -5.197
  632    H    GLY  84           H        GLY  84  -8.669   9.852  -4.368
  633    HA2  GLY  84           HA2      GLY  84 -10.533  11.521  -4.241
  634    HA3  GLY  84           HA3      GLY  84 -10.171  11.852  -5.934
  635    H    LYS  85           H        LYS  85 -10.177   8.730  -4.370
  636    HA   LYS  85           HA       LYS  85 -11.809   7.565  -6.414
  637    HB2  LYS  85           HB2      LYS  85  -9.979   6.577  -4.765
  638    HB3  LYS  85           HB3      LYS  85 -11.406   6.260  -3.780
  639    HG2  LYS  85           HG2      LYS  85 -10.907   5.177  -6.573
  640    HG3  LYS  85           HG3      LYS  85 -10.647   4.355  -5.029
  641    HD2  LYS  85           HD2      LYS  85 -13.371   5.409  -5.708
  642    HD3  LYS  85           HD3      LYS  85 -12.826   3.892  -6.419
  643    HE2  LYS  85           HE2      LYS  85 -12.900   4.483  -3.457
  644    HE3  LYS  85           HE3      LYS  85 -14.155   3.607  -4.329
  645    HZ1  LYS  85           HZ1      LYS  85 -12.627   2.044  -3.252
  646    HZ2  LYS  85           HZ2      LYS  85 -11.314   2.756  -4.031
  647    HZ3  LYS  85           HZ3      LYS  85 -12.455   1.935  -4.927
  648    H    ASP  86           H        ASP  86 -13.962   7.704  -6.489
  649    HA   ASP  86           HA       ASP  86 -15.548   7.242  -4.175
  650    HB2  ASP  86           HB2      ASP  86 -15.151   9.739  -4.069
  651    HB3  ASP  86           HB3      ASP  86 -15.869   9.881  -5.669
  652    H    ALA  87           H        ALA  87 -17.997   7.411  -5.048
  653    HA   ALA  87           HA       ALA  87 -19.566   6.497  -6.346
  654    HB1  ALA  87           HB1      ALA  87 -18.872   8.139  -8.054
  655    HB2  ALA  87           HB2      ALA  87 -19.388   6.624  -8.798
  656    HB3  ALA  87           HB3      ALA  87 -17.671   6.997  -8.659
  657    H    GLY  88           H        GLY  88 -17.283   5.024  -5.226
  658    HA2  GLY  88           HA2      GLY  88 -17.973   2.454  -6.117
  659    HA3  GLY  88           HA3      GLY  88 -16.372   2.930  -6.699
  660    H    ASN  89           H        ASN  89 -16.594   0.831  -4.941
  661    HA   ASN  89           HA       ASN  89 -14.996   1.695  -2.780
  662    HB2  ASN  89           HB2      ASN  89 -16.536   1.174  -0.926
  663    HB3  ASN  89           HB3      ASN  89 -17.171   2.488  -1.901
  664   HD21  ASN  89          HD21      ASN  89 -17.648  -0.736  -0.797
  665   HD22  ASN  89          HD22      ASN  89 -19.222  -0.956  -1.497
  666    H    ALA  90           H        ALA  90 -14.915  -0.178  -1.146
  667    HA   ALA  90           HA       ALA  90 -14.619  -2.311  -0.516
  668    HB1  ALA  90           HB1      ALA  90 -15.847  -4.137  -1.545
  669    HB2  ALA  90           HB2      ALA  90 -16.246  -3.116  -2.926
  670    HB3  ALA  90           HB3      ALA  90 -16.901  -2.737  -1.334
  671    H    ALA  91           H        ALA  91 -12.737  -0.932  -2.393
  672    HA   ALA  91           HA       ALA  91 -11.289  -3.377  -3.030
  673    HB1  ALA  91           HB1      ALA  91 -11.727  -1.228  -5.072
  674    HB2  ALA  91           HB2      ALA  91 -12.502  -2.812  -5.057
  675    HB3  ALA  91           HB3      ALA  91 -10.755  -2.686  -5.267
  676    H    GLY  92           H        GLY  92  -9.387  -3.222  -2.120
  677    HA2  GLY  92           HA2      GLY  92  -7.648  -1.058  -2.757
  678    HA3  GLY  92           HA3      GLY  92  -8.194  -0.990  -1.088
  679    H    THR  93           H        THR  93  -6.902  -3.373  -3.407
  680    HA   THR  93           HA       THR  93  -4.597  -3.984  -1.842
  681    HB   THR  93           HB       THR  93  -5.064  -6.476  -2.009
  682    HG1  THR  93           HG1      THR  93  -7.686  -6.413  -1.765
  683   HG21  THR  93          HG21      THR  93  -5.184  -5.399   0.185
  684   HG22  THR  93          HG22      THR  93  -6.379  -6.690   0.059
  685   HG23  THR  93          HG23      THR  93  -6.875  -5.006  -0.104
  686    H    GLY  94           H        GLY  94  -3.264  -5.725  -3.369
  687    HA2  GLY  94           HA2      GLY  94  -3.991  -4.980  -6.041
  688    HA3  GLY  94           HA3      GLY  94  -2.569  -5.881  -5.557
  689    H    ASP  95           H        ASP  95  -5.423  -7.021  -4.191
  690    HA   ASP  95           HA       ASP  95  -5.583  -9.069  -6.277
  691    HB2  ASP  95           HB2      ASP  95  -5.209  -9.877  -3.894
  692    HB3  ASP  95           HB3      ASP  95  -6.813  -9.252  -3.516
  693    H    GLU  96           H        GLU  96  -7.450  -6.831  -4.269
  694    HA   GLU  96           HA       GLU  96  -9.772  -7.195  -5.902
  695    HB2  GLU  96           HB2      GLU  96  -9.156  -5.116  -3.788
  696    HB3  GLU  96           HB3      GLU  96 -10.683  -5.224  -4.645
  697    HG2  GLU  96           HG2      GLU  96  -9.508  -7.320  -2.844
  698    HG3  GLU  96           HG3      GLU  96 -10.825  -6.218  -2.444
  699    H    SER  97           H        SER  97  -8.587  -6.882  -7.784
  700    HA   SER  97           HA       SER  97  -8.747  -4.151  -8.797
  701    HB2  SER  97           HB2      SER  97  -6.353  -5.979  -9.247
  702    HB3  SER  97           HB3      SER  97  -6.541  -4.322  -9.825
  703    HG   SER  97           HG       SER  97  -6.870  -4.229  -7.218
  704    H    ASP  98           H        ASP  98 -10.280  -6.611  -8.830
  705    HA   ASP  98           HA       ASP  98  -9.694  -8.118 -11.203
  706    HB2  ASP  98           HB2      ASP  98 -10.609  -9.107  -9.090
  707    HB3  ASP  98           HB3      ASP  98 -12.111  -8.249  -9.384
  708    H    GLU  99           H        GLU  99 -11.168  -8.349 -12.956
  709    HA   GLU  99           HA       GLU  99 -12.248  -5.856 -13.805
  710    HB2  GLU  99           HB2      GLU  99 -11.063  -7.319 -15.379
  711    HB3  GLU  99           HB3      GLU  99 -12.275  -8.567 -15.154
  712    HG2  GLU  99           HG2      GLU  99 -13.947  -7.150 -16.189
  713    HG3  GLU  99           HG3      GLU  99 -12.767  -5.849 -16.349
  714    H    VAL 100           H        VAL 100 -13.624  -5.889 -11.947
  715    HA   VAL 100           HA       VAL 100 -16.272  -6.724 -12.765
  716    HB   VAL 100           HB       VAL 100 -16.828  -6.822 -10.162
  717   HG11  VAL 100          HG11      VAL 100 -15.297  -9.004 -11.576
  718   HG12  VAL 100          HG12      VAL 100 -17.029  -8.702 -11.719
  719   HG13  VAL 100          HG13      VAL 100 -16.349  -9.230 -10.180
  720   HG21  VAL 100          HG21      VAL 100 -14.995  -7.723  -8.824
  721   HG22  VAL 100          HG22      VAL 100 -14.550  -6.124  -9.422
  722   HG23  VAL 100          HG23      VAL 100 -13.901  -7.566 -10.195
  723    H    ASP 101           H        ASP 101 -15.298  -4.731  -9.953
  724    HA   ASP 101           HA       ASP 101 -16.615  -2.526 -11.357
  725    HB2  ASP 101           HB2      ASP 101 -16.492  -3.051  -8.368
  726    HB3  ASP 101           HB3      ASP 101 -17.105  -1.568  -9.088
  727    H    GLU 102           H        GLU 102 -13.743  -3.657 -10.802
  728    HA   GLU 102           HA       GLU 102 -12.564  -1.048 -10.252
  729    HB2  GLU 102           HB2      GLU 102 -11.356  -3.802 -10.184
  730    HB3  GLU 102           HB3      GLU 102 -10.388  -2.333 -10.105
  731    HG2  GLU 102           HG2      GLU 102 -12.539  -3.143  -8.173
  732    HG3  GLU 102           HG3      GLU 102 -10.795  -3.208  -7.890
  733    H    ASP 103           H        ASP 103 -13.240  -3.233 -12.740
  734    HA   ASP 103           HA       ASP 103 -12.079  -1.435 -14.622
  735    HB2  ASP 103           HB2      ASP 103 -10.350  -3.316 -14.094
  736    HB3  ASP 103           HB3      ASP 103 -11.472  -4.365 -14.955