*HEADER   DNA-BINDING DOMAIN                      22-APR-98   1BA5    
*TITLE    DNA-BINDING DOMAIN OF HUMAN TELOMERIC PROTEIN, HTRF1,       
*TITLE   2 NMR, 18 STRUCTURES                                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: HTRF1;                                           
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: DNA-BINDING DOMAIN;                              
*COMPND  5 SYNONYM: TELOMERIC REPEAT BINDING FACTOR 1;                
*COMPND  6 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  4 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  5 CELLULAR_LOCATION: NUCLEUS                                 
*KEYWDS   DNA-BINDING DOMAIN, MYB REPEATS, NMR, TELOMERES, TRF        
*EXPDTA   NMR, 18 STRUCTURES                                          
*AUTHOR   T.NISHIKAWA,A.NAGADOI,S.YOSHIMURA,S.AIMOTO,Y.NISHIMURA      
*REVDAT  1   27-APR-99 1BA5    0                                      
 
RDDSTC> LIST
;TRF NOE 40 
;4D-SA
;HA(I)-HN(I+1)
    1    4   GLN   HA      1   5   ALA   HN   1.0  1.0  -2.0  5.0
    1    5   ALA   HA      1   6   TRP   HN   1.0  1.0  -2.0  4.0
    1    6   TRP   HA      1   7   LEU   HN   1.0  1.0  -2.0  3.0
    1    7   LEU   HA      1   8   TRP   HN   1.0  1.0  -2.0  4.0
    1    8   TRP   HA      1   9   GLU-  HN   1.0  1.0  -2.0  5.0
    1    9   GLU-  HA      1  10   GLU-  HN   1.0  1.0  -2.0  5.0
    1   10   GLU-  HA      1  11   ASP-  HN   1.0  1.0  -2.0  5.0
    1   11   ASP-  HA      1  12   LYS+  HN   1.0  1.0  -2.0  5.0
    1   12   LYS+  HA      1  13   ASN   HN   1.0  1.0  -2.0  5.0
    1   13   ASN   HA      1  14   LEU   HN   1.0  1.0  -2.0  5.0 
    1   14   LEU   HA      1  15   ARG+  HN   1.0  1.0  -2.0  5.0
    1   15   ARG+  HA      1  16   SER   HN   1.0  1.0  -2.0  5.0
    1   16   SER   HA      1  17   GLY   HN   1.0  1.0  -2.0  5.0
    1   17   GLY   HA*     1  18   VAL   HN   1.0  1.0  -2.0  6.0 ;1.0
    1   18   VAL   HA      1  19   ARG+  HN   1.0  1.0  -2.0  5.0
    1   19   ARG+  HA      1  20   LYS+  HN   1.0  1.0  -2.0  5.0 ;OVERLAP
    1   20   LYS+  HA      1  21   TYR   HN   1.0  1.0  -2.0  5.0
    1   21   TYR   HA      1  22   GLY   HN   1.0  1.0  -2.0  4.0 ;OVERLAP
    1   22   GLY   HA*     1  23   GLU-  HN   1.0  1.0  -2.0  4.0 ;1.0
    1   23   GLU-  HA      1  24   GLY   HN   1.0  1.0  -2.0  4.0 
    1   24   GLY   HA*     1  25   ASN   HN   1.0  1.0  -2.0  6.0 ;1.0
    1   25   ASN   HA      1  26   TRP   HN   1.0  1.0  -2.0  3.0
    1   26   TRP   HA      1  27   SER   HN   1.0  1.0  -2.0  5.0 ;OVERLAP
    1   27   SER   HA      1  28   LYS+  HN   1.0  1.0  -2.0  5.0
    1   28   LYS+  HA      1  29   ILE   HN   1.0  1.0  -2.0  5.0
    1   29   ILE   HA      1  30   LEU   HN   1.0  1.0  -2.0  5.0
    1   31   LEU   HA      1  32   HIS   HN   1.0  1.0  -2.0  4.0
    1   32   HIS   HA      1  33   TYR   HN   1.0  1.0  -2.0  5.0
    1   33   TYR   HA      1  34   LYS+  HN   1.0  1.0  -2.0  3.0
    1   34   LYS+  HA      1  35   PHE   HN   1.0  1.0  -2.0  3.0
    1   35   PHE   HA      1  36   ASN   HN   1.0  1.0  -2.0  3.0
    1   37   ASN   HA      1  38   ARG+  HN   1.0  1.0  -2.0  3.0
    1   38   ARG+  HA      1  39   THR   HN   1.0  1.0  -2.0  3.0
    1   39   THR   HA      1  40   SER   HN   1.0  1.0  -2.0  4.0 ;mod8/8
    1   40   SER   HA      1  41   VAL   HN   1.0  1.0  -2.0  5.0
    1   41   VAL   HA      1  42   MET   HN   1.0  1.0  -2.0  5.0
    1   42   MET   HA      1  43   LEU   HN   1.0  1.0  -2.0  4.0
    1   43   LEU   HA      1  44   LYS+  HN   1.0  1.0  -2.0  5.0
    1   44   LYS+  HA      1  45   ASP-  HN   1.0  1.0  -2.0  5.0 ;12new
    1   45   ASP-  HA      1  46   ARG+  HN   1.0  1.0  -2.0  5.0
    1   46   ARG+  HA      1  47   TRP   HN   1.0  1.0  -2.0  5.0
    1   47   TRP   HA      1  48   ARG+  HN   1.0  1.0  -2.0  5.0
    1   48   ARG+  HA      1  49   THR   HN   1.0  1.0  -2.0  4.0 ;12new
    1   49   THR   HA      1  50   MET   HN   1.0  1.0  -2.0  4.0
    1   50   MET   HA      1  51   LYS+  HN   1.0  1.0  -2.0  5.0
    1   51   LYS+  HA      1  52   LYS+  HN   1.0  1.0  -2.0  4.0
    1   52   LYS+  HA      1  53   LEU   HN   1.0  1.0  -2.0  4.0
;HA(I)-HN(I+3)
    1    8   TRP   HA      1  11   ASP-  HN   1.0  1.0  -2.0  5.0
    1    9   GLU-  HA      1  12   LYS+  HN   1.0  1.0  -2.0  4.0
    1   10   GLU-  HA      1  13   ASN   HN   1.0  1.0  -2.0  5.0
    1   11   ASP-  HA      1  14   LEU   HN   1.0  1.0  -2.0  4.0  ;OVERLAP
    1   12   LYS+  HA      1  15   ARG+  HN   1.0  1.0  -2.0  4.0  ;OVERLAP
    1   13   ASN   HA      1  16   SER   HN   1.0  1.0  -2.0  5.0
    1   14   LEU   HA      1  17   GLY   HN   1.0  1.0  -2.0  5.0
    1   15   ARG+  HA      1  18   VAL   HN   1.0  1.0  -2.0  5.0
    1   16   SER   HA      1  19   ARG+  HN   1.0  1.0  -2.0  5.0
    1   17   GLY   HA*     1  20   LYS+  HN   1.0  1.0  -2.0  6.0 ;1.0
;    1   18   VAL   HA      1  21   TYR   HN   1.0  1.0  -2.0  5.0  ;17bdel
;   1   19   ARG+  HA      1  22   GLY   HN   1.0  1.0  -2.0  5.0  ;17bdel
    1   25   ASN   HA      1  28   LYS+  HN   1.0  1.0  -2.0  5.0
    1   26   TRP   HA      1  29   ILE   HN   1.0  1.0  -2.0  5.0
    1   27   SER   HA      1  30   LEU   HN   1.0  1.0  -2.0  5.0
    1   28   LYS+  HA      1  31   LEU   HN   1.0  1.0  -2.0  5.0
    1   29   ILE   HA      1  32   HIS   HN   1.0  1.0  -2.0  4.0
    1   30   LEU   HA      1  33   TYR   HN   1.0  1.0  -2.0  5.0 ;12new
    1   40   SER   HA      1  43   LEU   HN   1.0  1.0  -2.0  5.0 ;30overlap
    1   41   VAL   HA      1  44   LYS+  HN   1.0  1.0  -2.0  4.0
    1   42   MET   HA      1  45   ASP-  HN   1.0  1.0  -2.0  5.0
    1   43   LEU   HA      1  46   ARG+  HN   1.0  1.0  -2.0  5.0
    1   44   LYS+  HA      1  47   TRP   HN   1.0  1.0  -2.0  5.0 ;12new
    1   45   ASP-  HA      1  48   ARG+  HN   1.0  1.0  -2.0  4.0
    1   46   ARG+  HA      1  49   THR   HN   1.0  1.0  -2.0  5.0
    1   47   TRP   HA      1  50   MET   HN   1.0  1.0  -2.0  5.0
    1   48   ARG+  HA      1  51   LYS+  HN   1.0  1.0  -2.0  5.0
    1   49   THR   HA      1  52   LYS+  HN   1.0  1.0  -2.0  5.0
    1   50   MET   HA      1  53   LEU   HN   1.0  1.0  -2.0  5.0
;HA(I)-HN(I+4)
;   1    6   TRP   HA      1  10   GLU-  HN   1.0  1.0  -2.0  5.0  ;17bdel
    1    8   TRP   HA      1  12   LYS+  HN   1.0  1.0  -2.0  5.0
    1    9   GLU-  HA      1  13   ASN   HN   1.0  1.0  -2.0  5.0
    1   10   GLU-  HA      1  14   LEU   HN   1.0  1.0  -2.0  5.0
    1   11   ASP-  HA      1  15   ARG+  HN   1.0  1.0  -2.0  5.0
    1   13   ASN   HA      1  17   GLY   HN   1.0  1.0  -2.0  5.0   ;OVERLAP
    1   14   LEU   HA      1  18   VAL   HN   1.0  1.0  -2.0  5.0
    1   16   SER   HA      1  20   LYS+  HN   1.0  1.0  -2.0  5.0
;    1   17   GLY   HA*     1  21   TYR   HN   1.0  1.0  -2.0  6.0 ;1.0
    1   26   TRP   HA      1  30   LEU   HN   1.0  1.0  -2.0  5.0
    1   40   SER   HA      1  44   LYS+  HN   1.0  1.0  -2.0  5.0 ;30overlap
    1   41   VAL   HA      1  45   ASP-  HN   1.0  1.0  -2.0  5.0
    1   42   MET   HA      1  46   ARG+  HN   1.0  1.0  -2.0  5.0
    1   43   LEU   HA      1  47   TRP   HN   1.0  1.0  -2.0  5.0
    1   46   ARG+  HA      1  50   MET   HN   1.0  1.0  -2.0  5.0
    1   47   TRP   HA      1  51   LYS+  HN   1.0  1.0  -2.0  5.0
;HA(I)-HN(I+2)
;   1    3   ARG+  HA      1   5   ALA   HN   1.0  1.0  -2.0  5.0
    1    7   LEU   HA      1   9   GLU-  HN   1.0  1.0  -2.0  6.0
    1    8   TRP   HA      1  10   GLU-  HN   1.0  1.0  -2.0  5.0
    1    9   GLU-  HA      1  11   ASP-  HN   1.0  1.0  -2.0  5.0
    1   13   ASN   HA      1  15   ARG+  HN   1.0  1.0  -2.0  5.0
    1   23   GLU-  HA      1  25   ASN   HN   1.0  1.0  -2.0  5.0
    1   28   LYS+  HA      1  30   LEU   HN   1.0  1.0  -2.0  5.0
;    1   30   LEU   HA      1  32   HIS   HN   1.0  1.0  -2.0  5.0
;    1   31   LEU   HA      1  33   TYR   HN   1.0  1.0  -2.0  5.0
;    1   39   THR   HA      1  41   VAL   HN   1.0  1.0  -2.0  5.0  ;CHECK!HAorHB
    1   40   SER   HA      1  42   MET   HN   1.0  1.0  -2.0  5.0   ;37-5
    1   41   VAL   HA      1  43   LEU   HN   1.0  1.0  -2.0  5.0
    1   45   ASP-  HA      1  47   TRP   HN   1.0  1.0  -2.0  5.0
    1   49   THR   HA      1  51   LYS+  HN   1.0  1.0  -2.0  5.0 
    1   50   MET   HA      1  52   LYS+  HN   1.0  1.0  -2.0  5.0 ;17new 
    1   51   LYS+  HA      1  53   LEU   HN   1.0  1.0  -2.0  5.0 ;17new
;HB(I)-HN(I+1)
    1    3   ARG+  HB*     1   4   GLN   HN   1.0  1.0  -2.0  6.5 ;.1.0;17new
    1    5   ALA   HB*     1   6   TRP   HN   1.0  1.0  -2.0  6.0 ;1.5
    1    6   TRP   HB1     1   7   LEU   HN   1.0  1.0  -2.0  5.5
    1    6   TRP   HB2     1   7   LEU   HN   1.0  1.0  -2.0  5.5
    1    7   LEU   HB*     1   8   TRP   HN   1.0  1.0  -2.0  5.5 ;1.0
    1    8   TRP   HB*     1   9   GLU-  HN   1.0  1.0  -2.0  5.5 
;    1    8   TRP   HB2     1   9   GLU-  HN   1.0  1.0  -2.0  5.0
    1    9   GLU-  HB*     1  10   GLU-  HN   1.0  1.0  -2.0  5.5 ;1.0
    1   10   GLU-  HB1     1  11   ASP-  HN   1.0  1.0  -2.0  4.5
    1   10   GLU-  HB2     1  11   ASP-  HN   1.0  1.0  -2.0  5.5 
    1   11   ASP-  HB1     1  12   LYS+  HN   1.0  1.0  -2.0  5.5 
    1   11   ASP-  HB2     1  12   LYS+  HN   1.0  1.0  -2.0  5.5 
    1   12   LYS+  HB*     1  13   ASN   HN   1.0  1.0  -2.0  6.5 ;1.0
    1   13   ASN   HB1     1  14   LEU   HN   1.0  1.0  -2.0  5.5 
    1   13   ASN   HB2     1  14   LEU   HN   1.0  1.0  -2.0  4.5
    1   14   LEU   HB1     1  15   ARG+  HN   1.0  1.0  -2.0  5.5
    1   14   LEU   HB2     1  15   ARG+  HN   1.0  1.0  -2.0  4.5 
    1   15   ARG+  HB1     1  16   SER   HN   1.0  1.0  -2.0  4.5
    1   15   ARG+  HB2     1  16   SER   HN   1.0  1.0  -2.0  5.5
    1   16   SER   HB*     1  17   GLY   HN   1.0  1.0  -2.0  6.5 ;1.0
    1   18   VAL   HB      1  19   ARG+  HN   1.0  1.0  -2.0  4.5
    1   19   ARG+  HB*     1  20   LYS+  HN   1.0  1.0  -2.0  5.5 ;1.0
    1   20   LYS+  HB*     1  21   TYR   HN   1.0  1.0  -2.0  5.5 ;1.0
    1   21   TYR   HB1     1  22   GLY   HN   1.0  1.0  -2.0  5.5 
    1   21   TYR   HB2     1  22   GLY   HN   1.0  1.0  -2.0  4.0
    1   23   GLU-  HB*     1  24   GLY   HN   1.0  1.0  -2.0  6.5 ;1.0;12new
    1   25   ASN   HB*     1  26   TRP   HN   1.0  1.0  -2.0  6.5 ;1.0
    1   26   TRP   HB1     1  27   SER   HN   1.0  1.0  -2.0  5.5 
    1   28   LYS+  HB*     1  29   ILE   HN   1.0  1.0  -2.0  6.5 ;1.0
    1   29   ILE   HB      1  30   LEU   HN   1.0  1.0  -2.0  5.5 
    1   30   LEU   HB*     1  31   LEU   HN   1.0  1.0  -2.0  5.5 ;1.0
    1   31   LEU   HB1     1  32   HIS   HN   1.0  1.0  -2.0  5.5
    1   31   LEU   HB2     1  32   HIS   HN   1.0  1.0  -2.0  5.5
    1   32   HIS   HB*     1  33   TYR   HN   1.0  1.0  -2.0  5.5
;    1   32   HIS   HB2     1  33   TYR   HN   1.0  1.0  -2.0  5.5
    1   33   TYR   HB*     1  34   LYS+  HN   1.0  1.0  -2.0  5.0 ;1.0
    1   34   LYS+  HB*     1  35   PHE   HN   1.0  1.0  -2.0  5.0 ;1.0
    1   35   PHE   HB1     1  36   ASN   HN   1.0  1.0  -2.0  5.0 ;1.0
    1   35   PHE   HB2     1  36   ASN   HN   1.0  1.0  -2.0  4.0 
    1   37   ASN   HB*     1  38   ARG+  HN   1.0  1.0  -2.0  5.5
    1   38   ARG+  HB1     1  39   THR   HN   1.0  1.0  -2.0  5.5 
    1   38   ARG+  HB2     1  39   THR   HN   1.0  1.0  -2.0  4.5
;    1   39   THR   HB      1  40   SER   HN   1.0  1.0  -2.0  5.0
    1   40   SER   HB*     1  41   VAL   HN   1.0  1.0  -2.0  6.5 ;1.0
    1   41   VAL   HB      1  42   MET   HN   1.0  1.0  -2.0  4.5 ;1.0
    1   42   MET   HB*     1  43   LEU   HN   1.0  1.0  -2.0  5.5 ;1.0
    1   43   LEU   HB1     1  44   LYS+  HN   1.0  1.0  -2.0  4.0
    1   43   LEU   HB2     1  44   LYS+  HN   1.0  1.0  -2.0  5.5
    1   44   LYS+  HB*     1  45   ASP-  HN   1.0  1.0  -2.0  5.0 ;1.0
    1   45   ASP-  HB*     1  46   ARG+  HN   1.0  1.0  -2.0  6.5 ;1.0
    1   46   ARG+  HB*     1  47   TRP   HN   1.0  1.0  -2.0  5.5 ;1.0
    1   47   TRP  HB*      1  48   ARG+  HN   1.0  1.0  -2.0  5.5 ;1.0
    1   48   ARG+  HB*     1  49   THR   HN   1.0  1.0  -2.0  6.5 ;1.0   
;    1   49   THR  HB       1  50   MET   HN   1.0  1.0  -2.0  5.0  
    1   50   MET   HB*     1  51   LYS+  HN   1.0  1.0  -2.0  5.0 ;1.0
    1   51   LYS+  HB*     1  52   LYS+  HN   1.0  1.0  -2.0  5.5
;HN(I)-HN(I+1)
    1    6   TRP   HN      1   7   LEU   HN   1.0  1.0  -2.0  5.0 
    1    8   TRP   HN      1   9   GLU-  HN   1.0  1.0  -2.0  4.0
    1    9   GLU-  HN      1  10   GLU-  HN   1.0  1.0  -2.0  3.0
    1   10   GLU-  HN      1  11   ASP-  HN   1.0  1.0  -2.0  3.0
    1   11   ASP-  HN      1  12   LYS+  HN   1.0  1.0  -2.0  4.0
    1   12   LYS+  HN      1  13   ASN   HN   1.0  1.0  -2.0  5.0
    1   13   ASN   HN      1  14   LEU   HN   1.0  1.0  -2.0  3.0
    1   14   LEU   HN      1  15   ARG+  HN   1.0  1.0  -2.0  3.0
    1   15   ARG+  HN      1  16   SER   HN   1.0  1.0  -2.0  3.0
    1   16   SER   HN      1  17   GLY   HN   1.0  1.0  -2.0  5.0
    1   17   GLY   HN      1  18   VAL   HN   1.0  1.0  -2.0  4.0
    1   18   VAL   HN      1  19   ARG+  HN   1.0  1.0  -2.0  3.0
    1   19   ARG+  HN      1  20   LYS+  HN   1.0  1.0  -2.0  4.0
    1   20   LYS+  HN      1  21   TYR   HN   1.0  1.0  -2.0  3.0
    1   21   TYR   HN      1  22   GLY   HN   1.0  1.0  -2.0  3.0
    1   22   GLY   HN      1  23   GLU-  HN   1.0  1.0  -2.0  5.0
    1   23   GLU-  HN      1  24   GLY   HN   1.0  1.0  -2.0  5.0
    1   24   GLY   HN      1  25   ASN   HN   1.0  1.0  -2.0  3.0
    1   25   ASN   HN      1  26   TRP   HN   1.0  1.0  -2.0  5.0 ;12new
    1   26   TRP   HN      1  27   SER   HN   1.0  1.0  -2.0  5.0 ;12new
    1   27   SER   HN      1  28   LYS+  HN   1.0  1.0  -2.0  5.0
    1   28   LYS+  HN      1  29   ILE   HN   1.0  1.0  -2.0  4.0
    1   29   ILE   HN      1  30   LEU   HN   1.0  1.0  -2.0  3.0
    1   30   LEU   HN      1  31   LEU   HN   1.0  1.0  -2.0  3.0
    1   31   LEU   HN      1  32   HIS   HN   1.0  1.0  -2.0  3.0
    1   32   HIS   HN      1  33   TYR   HN   1.0  1.0  -2.0  3.0
    1   34   LYS+  HN      1  35   PHE   HN   1.0  1.0  -2.0  5.0
    1   35   PHE   HN      1  36   ASN   HN   1.0  1.0  -2.0  5.0
    1   37   ASN   HN      1  38   ARG+  HN   1.0  1.0  -2.0  4.0
    1   38   ARG+  HN      1  39   THR   HN   1.0  1.0  -2.0  5.0 ;12new
    1   40   SER   HN      1  41   VAL   HN   1.0  1.0  -2.0  5.0
    1   41   VAL   HN      1  42   MET   HN   1.0  1.0  -2.0  5.0
    1   42   MET   HN      1  43   LEU   HN   1.0  1.0  -2.0  4.0
    1   43   LEU   HN      1  44   LYS+  HN   1.0  1.0  -2.0  5.0
    1   44   LYS+  HN      1  45   ASP-  HN   1.0  1.0  -2.0  3.0
    1   45   ASP-  HN      1  46   ARG+  HN   1.0  1.0  -2.0  5.0 ;37-5
    1   46   ARG+  HN      1  47   TRP   HN   1.0  1.0  -2.0  3.0
    1   47   TRP   HN      1  48   ARG+  HN   1.0  1.0  -2.0  3.0
    1   48   ARG+  HN      1  49   THR   HN   1.0  1.0  -2.0  5.0
    1   49   THR   HN      1  50   MET   HN   1.0  1.0  -2.0  3.0
    1   50   MET   HN      1  51   LYS+  HN   1.0  1.0  -2.0  4.0
    1   51   LYS+  HN      1  52   LYS+  HN   1.0  1.0  -2.0  4.0
;HN(I)-HN(I+2)
    1    8   TRP   HN      1  10   GLU-  HN   1.0  1.0  -2.0  5.0 
    1    9   GLU-  HN      1  11   ASP-  HN   1.0  1.0  -2.0  5.0
    1   10   GLU-  HN      1  12   LYS+  HN   1.0  1.0  -2.0  5.0
    1   14   LEU   HN      1  16   SER   HN   1.0  1.0  -2.0  5.0
    1   15   ARG+  HN      1  17   GLY   HN   1.0  1.0  -2.0  5.0
    1   17   GLY   HN      1  19   ARG+  HN   1.0  1.0  -2.0  5.0
    1   18   VAL   HN      1  20   LYS+  HN   1.0  1.0  -2.0  5.0
;    1   26   TRP   HN      1  28   LYS+  HN   1.0  1.0  -2.0  5.0
    1   28   LYS+  HN      1  30   LEU   HN   1.0  1.0  -2.0  5.0
;    1   30   LEU   HN      1  32   HIS   HN   1.0  1.0  -2.0  5.0
    1   31   LEU   HN      1  33   TYR   HN   1.o  1.o  -2.0  5.0 ;17new
    1   36   ASN   HN      1  38   ARG+  HN   1.0  1.0  -2.0  4.0 ;;;3/11,1
;   1   39   THR   HN      1  41   VAL   HN   1.0  1.0  -2.0  5.0 ;27-5
;    1   42   MET   HN      1  44   LYS+  HN   1.0  1.0  -2.0  5.0
    1   44   LYS+  HN      1  46   ARG+  HN   1.0  1.0  -2.0  5.0
    1   45   ASP-  HN      1  47   TRP   HN   1.0  1.0  -2.0  5.0
    1   46   ARG+  HN      1  48   ARG+  HN   1.0  1.0  -2.0  5.0 ;12new
;    1   47   TRP   HN      1  49   THR   HN   1.0  1.0  -2.0  5.0
    1   48   ARG+  HN      1  50   MET   HN   1.0  1.0  -2.0  5.0
;HN(I)-HN(I+3)
    1    7   LEU   HN      1  10   GLU-  HN   1.0  1.0  -2.0  5.0
    1    9   GLU-  HN      1  12   LYS+  HN   1.0  1.0  -2.0  5.0 
;   1   13   ASN   HN      1  16   SER   HN   1.0  1.0  -2.0  5.0 ;12del
;    1   32   HIS   HN      1  35   PHE   HN   1.0  1.0  -2.0  5.0 ;22new
    1   39   THR   HN      1  42   MET   HN   1.0  1.0  -2.0  5.0 
;HA(I)-HB(I+3)
    1    8   TRP   HA      1  11   ASP-  HB1  1.0  1.0  -2.0  4.0
    1    8   TRP   HA      1  11   ASP-  HB2  1.0  1.0  -2.0  5.5 
    1    9   GLU-  HA      1  12   LYS+  HB*  1.0  1.0  -2.0  5.0 ;1.0
    1   10   GLU-  HA      1  13   ASN   HB*  1.0  1.0  -2.0  6.0  ;12new
    1   11   ASP-  HA      1  14   LEU   HB1  1.0  1.0  -2.0  5.5
    1   11   ASP-  HA      1  14   LEU   HB2  1.0  1.0  -2.0  4.5
    1   12   LYS+  HA      1  15   ARG+  HB1  1.0  1.0  -2.0  5.0
    1   13   ASN   HA      1  16   SER   HB*  1.0  1.0  -2.0  6.0 
    1   15   ARG+  HA      1  18   VAL   HB   1.0  1.0  -2.0  5.0
    1   16   SER   HA      1  19   ARG+  HB*  1.0  1.0  -2.0  6.0 ;1.0
    1   17   GLY   HA*     1  20   LYS+  HB*  1.0  1.0  -2.0  7.0
    1   26   TRP   HA      1  29   ILE   HB   1.0  1.0  -2.0  5.0
    1   27   SER   HA      1  30   LEU   HB*  1.0  1.0  -2.0  6.0 ;1.0
    1   28   LYS+  HA      1  31   LEU   HB1  1.0  1.0  -2.0  5.0 
;    1   29   ILE   HA      1  32   HIS   HB*  1.0  1.0  -2.0  5.0 ;1.0
;   1   39   THR   HA      1  42   MET   HB*  1.0  1.0  -2.0  6.0 ;1.0 ;17bdel
    1   41   VAL   HA      1  44   LYS+  HB*  1.0  1.0  -2.0  5.0 ;1.0
;    1   42   MET   HA      1  45   ASP-  HB*  1.0  1.0  -2.0  6.0 ;1.0
;    1   43   LEU   HA      1  46   ARG+  HB*  1.0  1.0  -2.0  6.0 ;1.0 ;12new
    1   44   LYS+  HA      1  47   TRP   HB*  1.0  1.0  -2.0  6.5 ;1.0 ;12new
    1   45   ASP-  HA      1  48   ARG+  HB*  1.0  1.0  -2.0  6.0 ;1.0
    1   47   TRP   HA      1  50   MET   HB*  1.0  1.0  -2.0  5.0 ;1.0
    1   47   TRP   HA      1  50   MET   HG*  1.0  1.0  -2.0  6.0 ;1.0
    1   48   ARG+  HA      1  51   LYS+  HB*  1.0  1.0  -2.0  6.0 ;1.0 ;17bnew

;OTHERS
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1    6   TRP   HN      1   6   TRP   HB1  1.0  1.0  -2.0  4.0  ;20NEW
    1    6   TRP   HN      1   6   TRP   HB2  1.0  1.0  -2.0  4.5  ;20NEW
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
;    1    6   TRP   HZ3     1  14   LEU   HN   1.0  1.0  -2.0  5.0 ;22del
    1    6   TRP   HZ3     1  14   LEU   HB1  1.0  1.0  -2.0  5.5 ;20NEW
    1    6   TRP   HZ3     1  14   LEU   HB2  1.0  1.0  -2.0  5.5 ;20NEW
    1    6   TRP   HZ3     1  14   LEU   HD1* 1.0  1.0  -2.0  8.0 ;1.5
    1    6   TRP   HZ3     1  14   LEU   HD2* 1.0  1.0  -2.0  7.0.0 ;1.5 ;27-5NEW
    1    6   TRP   HZ3     1  35   PHE   HD*  1.0  1.0  -2.0  6.5 ;2.0 ;21del
    1    6   TRP   HZ3     1  35   PHE   HE*  1.0  1.0  -2.0  6.5 ;2.0 ;21del
    1    6   TRP   HZ3     1  43   LEU   HD2*  1.0  1.0  -2.0 6.0 ;1.5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
    1    6   TRP   HH2     1  43   LEU   HD1*  1.0  1.0  -2.0  6.0 ;1.5
    1    6   TRP   HH2     1  43   LEU   HD2*  1.0  1.0  -2.0  5.5 ;1.5  
    1    6   TRP   HH2     1  43   LEU   HA   1.0  1.0  -2.0  4.5 
    1    6   TRP   HH2     1  43   LEU   HG   1.0  1.0  -2.0  4.5 ;23new
    1    6   TRP   HH2     1  42   MET   HB*  1.0  1.0  -2.0  5.5 ;1.0
    1    6   TRP   HH2     1  14   LEU   HD1*  1.0  1.0  -2.0  8.0 ;1.5;reserve
    1    6   TRP   HH2     1  14   LEU   HD2*  1.0  1.0  -2.0  7.0
;    1    6   TRP   HH2     1  38   ARG+  HD*   1.0  1.0  -2.0  7.5 ;17-5
    1    6   TRP   HH2     1  46   ARG+  HG*  1.0  1.0  -2.0  6.5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
     1    6   TRP   HE1     1  42   MET   HB*  1.0  1.0  -2.0  6.5 ;1.0
;    1    6   TRP   HE1     1  46   ARG+  HG*  1.0  1.0  -2.0  5.0 ;1.0 ;18new
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
;    1    6   TRP   HZ2     1  38   ARG+  HB*  1.0  1.0  -2.0  6.0  ;27-5
    1    6   TRP   HZ2     1  38   ARG+  HD*  1.0  1.0  -2.0  7.5  ;27-5
    1    6   TRP   HZ2     1  42   MET   HA   1.0  1.0  -2.0  6.5 
    1    6   TRP   HZ2     1  42   MET   HB*  1.0  1.0  -2.0  5.0 ;1.0 
    1    6   TRP   HZ2     1  42   MET   HG*  1.0  1.0  -2.0  6.5 ;1.0 
    1    6   TRP   HZ2     1  43   LEU   HA   1.0  1.0  -2.0  5.5 
    1    6   TRP   HZ2     1  43   LEU   HD1*  1.0  1.0  -2.0  7.0 ;1.5
    1    6   TRP   HZ2     1  43   LEU   HD2*  1.0  1.0  -2.0  7.0 ;1.5
    1    6   TRP   HZ2     1  46   ARG+  HB*  1.0  1.0  -2.0  6.5 ;1.0
    1    6   TRP   HZ2     1  46   ARG+  HG*  1.0  1.0  -2.0  5.5 ;1.0
    1    6   TRP   HZ2     1  46   ARG+  HN   1.0  1.0  -2.0  6.5  ;26new
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
;   1    6   TRP   HD1     1  45   ASP-  HB*  1.0  1.0  -2.0  6.0 ;1.0
;    1    6   TRP   HD1     1   6   TRP   HB1   1.0  1.0  -2.0  5.0 
     1    6   TRP   HD1     1   6   TRP   HN   1.0  1.0  -2.0  4.0
;    1    6   TRP   HD1     1   6   TRP   HB2  1.0  1.0  -2.0  5.0 
    1    6   TRP   HD1     1   5   ALA    HA   1.0  1.0  -2.0  5.5 
    1    6   TRP   HD1     1   5    ALA   HB*  1.0  1.0  -2.0  7.0 ;1.5 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
    1    6   TRP   HE3     1  10   GLU-  HB1  1.0  1.0  -2.0  4.5
    1    6   TRP   HE3     1  10   GLU-  HB2  1.0  1.0  -2.0  4.5
    1    6   TRP   HE3     1  10   GLU-  HG*  1.0  1.0  -2.0  7.5 ;1.0
    1    6   TRP   HE3     1  10   GLU-  HA   1.0  1.0  -2.0  6.5 
    1    6   TRP   HE3     1  11   ASP-  HA   1.0  1.0  -2.0  5.5 ;20NEW
    1    6   TRP   HE3     1  11   ASP-  HN   1.0  1.0  -2.0  6.5 ;20NEW
    1    6   TRP   HE3     1   7   LEU   HN   1.0  1.0  -2.0  6.5 ;20NEW
;    1    6   TRP   HE3     1   6   TRP   HA   1.0  1.0  -2.0  5.0 ;20NEW
;    1    6   TRP   HE3     1   6   TRP   HB1  1.0  1.0  -2.0  4.5 ;20NEW
;    1    6   TRP   HE3     1   6   TRP   HB2  1.0  1.0  -2.0   4.5 ;20NEW
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
;    1    8   TRP   HN      1   7   LEU   HG   1.0  1.0  -2.0  5.5 
;    1    8   TRP   HN      1   7   LEU   HD*  1.0  1.0  -2.0  8.4 ;3.9
    1    8   TRP   HN      1   8   TRP   HD1  1.0  1.0  -2.0  5.5
    1    8   TRP   HN      1   8   TRP   HE3  1.0  1.0  -2.0  5.5 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
     1    8   TRP   HZ3     1   9   GLU-  HB*  1.0  1.0  -2.0  6.5 ;1.0 
     1    8   TRP   HZ3     1   9   GLU-  HG*  1.0  1.0  -2.0  7.5 ;1.0
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
     1    8   TRP   HD1     1   9   GLU-  HN   1.0  1.0  -2.0  6.5  ;20NEW 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
;     1    8   TRP   HE3     1  12   LYS+  HB*  1.0  1.0  -2.0  6.5 ;1.0 
;     1    8   TRP   HE3     1  12   LYS+  HG*  1.0  1.0  -2.0  6.5 ;1.0
     1    8   TRP   HE3     1   9   GLU-  HB*  1.0  1.0  -2.0  6.5 ;1.0
     1    8   TRP   HE3     1   9   GLU-  HG*  1.0  1.0  -2.0  6.5 ;1.0
     1    8   TRP   HE3     1   9   GLU-  HN   1.0  1.0  -2.0  5.5 ;1.0
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
    1   21   TYR   HD*      1  17   GLY   HA*  1.0  1.0  -2.0  7.5 ;2.0,1.0
    1   21   TYR   HD*      1  17   GLY   HN   1.0  1.0  -2.0  6.5 ;2.0 ;27-5
    1   21   TYR   HD*      1  20   LYS+  HA   1.0  1.0  -2.0  7.5 ;2.0
    1   21   TYR   HD*      1  20   LYS+  HB*  1.0  1.0  -2.0  7.5 ;2.0;1.0 
    1   21   TYR   HD*      1  20   LYS+  HD*  1.0  1.0  -2.0  8.5 ;2.0;1.0
    1   21   TYR   HD*      1  29   ILE   HA   1.0  1.0  -2.0  6.5 ;2.0 
    1   21   TYR   HD*      1  29   ILE   HD1* 1.0  1.0  -2.0  9.0 ;2.0;1.5
    1   21   TYR   HD*      1  29   ILE   HG1*  1.0  1.0  -2.0  7.0 ;2.0;1.0
    1   21   TYR   HD*      1  29   ILE   HG2*  1.0  1.0  -2.0  9.0 ;2.0;1.5 
;    1   21   TYR   HD*      1  28   LYS+  HD*  1.0  1.0  -2.0  8.0 ;2.0,1.0 
    1   21   TYR   HD*      1  33   TYR   HE*  1.0  1.0  -2.0  8.5 ;2.0;2.0;13ne
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   21   TYR   HN       1  20   LYS+  HD*  1.0  1.0  -2.0  7.5  ;1.0
    1   21   TYR   HN       1  20   LYS+  HG*  1.0  1.0  -2.0  7.5  ;1.0
    1   21   TYR   HN       1  29   ILE   HD1*  1.0  1.0  -2.0  8.0  ;1.5
    1   21   TYR   HN       1  22   GLY   HA*  1.0  1.0  -2.0  7.5  ;1.0
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   21   TYR   HE*      1  17   GLY   HA*  1.0  1.0  -2.0  8.5 ;2.0,1.0 
    1   21   TYR   HE*      1  20   LYS+  HG*  1.0  1.0  -2.0  9.5 ;2.0 ;1.0
    1   21   TYR   HE*      1  20   LYS+  HD*  1.0  1.0  -2.0  8.5 ;2.0,1.0 
    1   21   TYR   HE*      1  29   ILE   HA   1.0  1.0  -2.0  7.5 ;2.0 
    1   21   TYR   HE*      1  29   ILE   HD1*  1.0  1.0  -2.0  9.0 ;2.0;1.5
    1   21   TYR   HE*      1  29   ILE   HG1*  1.0  1.0  -2.0  8.5 ;2.0;1.0 
;    1   21   TYR   HE*      1  28   LYS+  HG*  1.0  1.0  -2.0  8.0 ;2.0,1.0 
;    1   21   TYR   HE*      1  28   LYS+  HD*  1.0  1.0  -2.0  8.0 ;2.0,1.0
    1   21   TYR   HE*      1  33   TYR   HE*  1.0  1.0  -2.0  8.5 ;2.0;2.0;13new
    1   21   TYR   HE*      1  33   TYR   HD*  1.0  1.0  -2.0  9.5 ;2.0;2.0;13new
    1   21   TYR   HE*      1  32   HIS   HB1  1.0  1.0  -2.0  7.0 ;2.0;;13new 
    1   21   TYR   HE*      1  32   HIS   HB2  1.0  1.0  -2.0  7.0 ;2.0 ;18bnew 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   26   TRP   HA      1  29   ILE   HD1* 1.0  1.0  -2.0  5.5 ;1.5;30
    1   26   TRP   HA      1  29   ILE   HG1* 1.0  1.0  -2.0  5.0 ;1.0;30
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   26   TRP   HB*     1  40   SER   HA   1.0  1.0  -2.0  6.5
    1   26   TRP   HB*     1  40   SER   HB*  1.0  1.0  -2.0  6.5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   26   TRP   HZ3     1  47   TRP   HB*  1.0  1.0  -2.0  5.5 ;1.0 
    1   26   TRP   HZ3     1  23   GLU-  HA   1.0  1.0  -2.0  6.5 
    1   26   TRP   HZ3     1  44   LYS+  HA   1.0  1.0  -2.0  6.5  
;    1   26   TRP   HZ3     1  43   LEU   HB*  1.0  1.0  -2.0  7.5 ;27-5 
    1   26   TRP   HZ3     1  43   LEU   HB2  1.0  1.0  -2.0  4.5 ;27-5
    1   26   TRP   HZ3     1  18   VAL   HG1*  1.0  1.0  -2.0  7.0 ;1.5
    1   26   TRP   HZ3     1  18   VAL   HG2*  1.0  1.0  -2.0  5.5 ;1.5
    1   26   TRP   HZ3     1  14   LEU   HD1*  1.0  1.0  -2.0  5.5 ;1.5 ;;13new
    1   26   TRP   HZ3     1  14   LEU   HD2*  1.0  1.0  -2.0  7.0 ;1.5 
    1   26   TRP   HZ3     1  29   ILE   HD1*  1.0  1.0  -2.0  6.0 ;1.5 
;   1   26   TRP   HZ3     1  44   LYS+  HD*  1.0  1.0  -2.0  6.0 ;1.0;;;3/5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
    1   26   TRP   HH2     1  47   TRP   HB*  1.0  1.0  -2.0  5.5 ;1.0
    1   26   TRP   HH2     1  47   TRP   HN   1.0  1.0  -2.0  6.5 
    1   26   TRP   HH2     1  23   GLU-  HA   1.0  1.0  -2.0  5.5 
    1   26   TRP   HH2     1  23   GLU-  HG*  1.0  1.0  -2.0  6.5 ;1.0 
    1   26   TRP   HH2     1  18   VAL   HG1*  1.0  1.0  -2.0 8.0 ;1.5
    1   26   TRP   HH2     1  18   VAL   HG2*  1.0  1.0  -2.0 6.0 ;1.5
    1   26   TRP   HH2     1  24   GLY   HN   1.0  1.0  -2.0  5.5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
    1   26   TRP   HE1     1  44   LYS+  HG*  1.0  1.0  -2.0  6.5 ;1.0 
    1   26   TRP   HE1     1  44   LYS+  HD*  1.0  1.0  -2.0  6.5 ;1.0  
;   1   26   TRP   HE1     1  48   ARG+  HG*  1.0  1.0  -2.0  6.0 ;1.0;;12del
;   1   26   TRP   HE1     1  23   GLU-  HA   1.0  1.0  -2.0  5.0 ;27-5;CHECK!
    1   26   TRP   HE1     1  24   GLY   HN   1.0  1.0  -2.0  6.5
    1   26   TRP   HE1     1  24   GLY   HA*  1.0  1.0  -2.0  6.5 ;1.0
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   26   TRP   HE3     1  14   LEU   HD1*  1.0  1.0  -2.0  6.0 ;1.5 ;27-3
    1   26   TRP   HE3     1  14   LEU   HD2*  1.0  1.0  -2.0  8.0 ;1.5
;    1   26   TRP   HE3     1  23   GLU-  HB*   1.0  1.0  -2.0  5.0 ;1.0 ;27-3
    1   26   TRP   HE3     1  29   ILE   HG2*  1.0  1.0  -2.0  7.0 ;1.0
    1   26   TRP   HE3     1  29   ILE   HB    1.0  1.0  -2.0  5.5 ;27-5
    1   26   TRP   HE3     1  29   ILE   HD1*  1.0  1.0  -2.0  5.5 ;1.5
    1   26   TRP   HE3     1  43   LEU   HD1*  1.0  1.0  -2.0   6.0 ;1.5
    1   26   TRP   HE3     1  43   LEU   HD2*  1.0  1.0  -2.0  6.0 ;1.5 
    1   26   TRP   HE3     1  18   VAL   HG2*  1.0  1.0  -2.0 7.0 ;1.5 
;   1   26   TRP   HE3     1  43   LEU   HG   1.0  1.0  -2.0  5.5   ;CHECK!
    1   26   TRP   HE3     1  43   LEU   HB*  1.0  1.0  -2.0  5.5 
;    1   26   TRP   HE3     1  43   LEU   HB2  1.0  1.0  -2.0  4.0
;    1   26   TRP   HE3     1  44   LYS+  HA   1.0  1.0  -2.0  5.0 ;24new 
;   1   26   TRP   HE3     1  13   ASN   HD2* 1.0  1.0  -2.0  5.0 ;1.0CHECK!20
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   26   TRP   HD1     1  40   SER   HA  1.0  1.0  -2.0   5.0 ;30
    1   26   TRP   HD1     1  40   SER   HB* 1.0  1.0  -2.0   6.5 ;30
;    1   26   TRP   HD1     1  44   LYS+  HA  1.0  1.0  -2.0   5.0 ;30
;    1   26   TRP   HD1     1  44   LYS+  HB* 1.0  1.0  -2.0   6.0 ;30
    1   26   TRP   HD1     1  44   LYS+  HG* 1.0  1.0  -2.0   6.5 ;30
    1   26   TRP   HD1     1  25   ASN   HA   1.0  1.0  -2.0  6.5 ;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   26   TRP   HZ2     1  23   GLU-  HG*  1.0  1.0  -2.0  7.5 ;1.0 
;    1   26   TRP   HZ2     1  23   GLU-  HB*  1.0  1.0  -2.0  6.0 ;1.0 
    1   26   TRP   HZ2     1  44   LYS+  HA   1.0  1.0  -2.0  5.5
    1   26   TRP   HZ2     1  44   LYS+  HD*  1.0  1.0  -2.0  6.5 ;1.0 
;    1   26   TRP   HZ2     1  44   LYS+  HB*  1.0  1.0  -2.0  6.0 ;1.0 ;27-5
;    1   26   TRP   HZ2     1  18   VAL   HG*  1.0  1.0  -2.0  8.9 ;3.9 ;27-5
    1   26   TRP   HZ2     1  24   GLY   HA*  1.0  1.0  -2.0  7.5
    1   26   TRP   HZ2     1  24   GLY   HN   1.0  1.0  -2.0  4.5
    1   26   TRP   HZ2     1  47   TRP   HB*  1.0  1.0  -2.0  6.5 ;1.0
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   32   HIS   HN      1  31   LEU   HG   1.0  1.0   -2.0  6.5
    1   32   HIS   HN      1  31   LEU   HD*  1.0  1.0   -2.0  9.4    ;3.9
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   32   HIS   HE1     1  31   LEU   HB1  1.0  1.0  -2.0  6.5
    1   32   HIS   HE1     1  31   LEU   HB2  1.0  1.0  -2.0  6.5 
    1   32   HIS   HE1     1  31   LEU   HD*  1.0  1.0  -2.0  9.4 ;3.9 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
    1   32   HIS   HD2     1  28   LYS+  HA   1.0  1.0  -2.0  5.5 
    1   32   HIS   HD2     1  29   ILE   HA   1.0  1.0  -2.0  5.5 
    1   32   HIS   HD2     1  31   LEU   HB1  1.0  1.0  -2.0  5.5 
    1   32   HIS   HD2     1  31   LEU   HB2  1.0  1.0  -2.0  5.5 
    1   32   HIS   HD2     1  28   LYS+  HB*  1.0  1.0  -2.0  5.5 ;1.0 
    1   32   HIS   HD2     1  28   LYS+  HG*  1.0  1.0  -2.0  6.5 ;1.0  
    1   32   HIS   HD2     1  31   LEU   HD*  1.0  1.0  -2.0  9.4 ;3.9
    1   32   HIS   HD2     1  33   TYR   HD*  1.0  1.0  -2.0  7.0 ;2.0
    1   32   HIS   HD2     1  33   TYR   HN   1.0  1.0  -2.0  5.0 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   33   TYR   HD*      1  13   ASN   HA   1.0  1.0  -2.0  7.5 ;2.0
    1   33   TYR   HD*      1  13   ASN   HB*  1.0  1.0  -2.0  8.5 ;2.0
;    1   33   TYR   HD*      1  13   ASN   HB2  1.0  1.0  -2.0  7.0 ;2.0
    1   33   TYR   HD*      1  13   ASN   HD2* 1.0  1.0  -2.0  8.5 ;2.0,1.0;27-5
    1   33   TYR   HD*      1  32   HIS   HB*  1.0  1.0  -2.0  8.5 ;2.0,1.0
    1   33   TYR   HD*      1  32   HIS   HN   1.0  1.0  -2.0  6.5 ;2.0
    1   33   TYR   HD*      1  29   ILE   HG2* 1.0  1.0  -2.0  7.5 ;2.0,1.0
    1   33   TYR   HD*      1  29   ILE   HA   1.0  1.0  -2.0  6.5 ;2.0
    1   33   TYR   HD*      1  29   ILE   HG1* 1.0  1.0  -2.0  9.5 ;2.0;1.0
;    1   33   TYR   HD*      1  29   ILE   HD1* 1.0  1.0   1.9  8.5 ;2.0;1.5
;    1   33   TYR   HD*      1  33   TYR   HN   1.0  1.0  -2.0  5.0 ;2.0 ;27-5  
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   33   TYR   HE*      1  17   GLY   HA*  1.0  1.0  -2.0  7.5 ;2.0;1.0
    1   33   TYR   HE*      1  17   GLY   HN   1.0  1.0  -2.0  7.5 ;2.0
;    1   33   TYR   HE*      1  16   SER   HN   1.0  1.0  -2.0  7.0 ;2.0 ;27-5
    1   33   TYR   HE*      1  16   SER   HA   1.0  1.0  -2.0  7.5 ;2.0
    1   33   TYR   HE*      1  16   SER   HB*  1.0  1.0  -2.0  7.5 ;2.0;1.0
    1   33   TYR   HE*      1  32   HIS   HB*  1.0  1.0  -2.0  8.5 ;2.0;1.0
    1   33   TYR   HE*      1  29   ILE   HA   1.0  1.0  -2.0  7.5 ;2.0
    1   33   TYR   HE*      1  29   ILE   HG2*  1.0  1.0  -2.0 8.0 ;2.0;1.5
    1   33   TYR   HE*      1  29   ILE   HG1*  1.0  1.0  -2.0  8.5 ;2.0;1.0;CHECK!
    1   33   TYR   HE*      1  29   ILE   HD1*  1.0  1.0  -2.0 10.0 ;2.0;1.5;CHECK!
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
;    1   33   TYR   HN       1  33   TYR   HB1   1.0  1.0  -2.0  .0
;    1   33   TYR   HN       1  33   TYR   HB2   1.0  1.0  -2.0  .0
     1   33   TYR   HN      1  29   ILE   HG2*  1.0  1.0  -2.0  8.0 ;1.5 ;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
    1   35   PHE   HD*      1   6   TRP   HH2  1.0  1.0  -2.0  7.5 ;2.0 ;27-5
    1   35   PHE   HD*      1  10   GLU-  HA   1.0  1.0  -2.0  6.5 ;2.0 
    1   35   PHE   HD*      1  10   GLU-  HG*  1.0  1.0  -2.0  7.5 ;2.0;1.0   
    1   35   PHE   HD*      1  13   ASN   HB*  1.0  1.0  -2.0  8.5 ;2.0 
;   1   35   PHE   HD*      1  14   LEU   HB1  1.0  1.0  -2.0  7.0 ;2.0 ;20del 
;   1   35   PHE   HD*      1  33   TYR   HB*  1.0  1.0  -2.0  8.0 ;2.0,1.0;CHECK! 
    1   35   PHE   HD*      1  30   LEU   HA   1.0  1.0  -2.0  6.5 ;2.0 ;18bnew 
    1   35   PHE   HD*      1  30   LEU   HB*  1.0  1.0  -2.0  7.5 ;2.0,1.0
    1   35   PHE   HD*      1  38   ARG+  HN   1.0  1.0  -2.0  8.5 ;2.0;27-5  
    1   35   PHE   HD*      1  38   ARG+  HB2  1.0  1.0  -2.0  7.5 ;2.0
    1   35   PHE   HD*      1  38   ARG+  HG*  1.0  1.0  -2.0  7.5 ;2.0,1.0 
    1   35   PHE   HD*      1  36   ASN   HN  1.0  1.0   -2.0  6.5 ;2.0;27-5 
    1   35   PHE   HD*      1  30   LEU   HD*  1.0  1.0  -2.0 10.4 ;2.0,3.9 
    1   35   PHE   HD*      1  43   LEU   HD1*  1.0  1.0  -2.0  9.0 ;2.0,1.5
    1   35   PHE   HD*      1  43   LEU   HD2*  1.0  1.0  -2.0  8.0 ;2.0,1.5
    1   35   PHE   HD*      1  18   VAL   HG2*  1.0  1.0  -2.0  9.0  ;2.0,1.5;27-5  
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   35   PHE   HE*      1  29   ILE   HG2*  1.0  1.0  -2.0  7.5 ;1.5 
    1   35   PHE   HE*      1  30   LEU   HA   1.0  1.0  -2.0  6.0 ;2.0 
    1   35   PHE   HE*      1  30   LEU   HD*  1.0  1.0  -2.0  11.4 ;2.0,3.9;27-5
    1   35   PHE   HE*      1  10   GLU-  HA   1.0  1.0  -2.0  7.5 ;2.0 
    1   35   PHE   HE*      1  33   TYR   HB*  1.0  1.0  -2.0  7.5 ;2.0
;   1   35   PHE   HE*      1  33   TYR   HE*  1.0  1.0  -2.0  9.0 ;2.0;2.0
    1   35   PHE   HE*      1  13   ASN   HB*  1.0  1.0  -2.0  8.5 ;2.0
    1   35   PHE   HE*      1  14   LEU   HB1  1.0  1.0  -2.0  6.5 ;2.0
    1   35   PHE   HE*      1  14   LEU   HB2  1.0  1.0  -2.0  7.5 ;2.0  
    1   35   PHE   HE*      1  14   LEU   HG   1.0  1.0  -2.0  7.5 ;2.0 
    1   35   PHE   HE*      1  14   LEU   HD1* 1.0  1.0  -2.0  8.0 ;2.0;1.5
    1   35   PHE   HE*      1  14   LEU   HD2* 1.0  1.0  -2.0  9.0 ;2.0;1.5
    1   35   PHE   HE*      1  43   LEU   HD1*  1.0  1.0  -2.0  8.5 ;2.0,1.5
    1   35   PHE   HE*      1  43   LEU   HD2*  1.0  1.0  -2.0  7.5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
    1   35   PHE   HZ      1  14   LEU   HA   1.0  1.0  -2.0  4.0
    1   35   PHE   HZ      1  29   ILE   HG2*  1.0  1.0  -2.0 5.5 ;1.5 
    1   35   PHE   HZ      1  33   TYR   HB*  1.0  1.0  -2.0  6.5  ;CHECK!
    1   35   PHE   HZ      1  14   LEU   HB1  1.0  1.0  -2.0  5.5
    1   35   PHE   HZ      1  14   LEU   HB2  1.0  1.0  -2.0  6.5  
    1   35   PHE   HZ      1  14   LEU   HD1* 1.0  1.0  -2.0  6.0  ;1.5
    1   35   PHE   HZ      1  13   ASN   HB*  1.0  1.0  -2.0  5.5 
    1   35   PHE   HZ      1  43   LEU   HD1* 1.0  1.0  -2.0  7.0 ;1.5
    1   35   PHE   HZ      1  43   LEU   HD2* 1.0  1.0  -2.0  6.5 ;1.5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   35   PHE   HN      1  34   LYS+  HG*  1.0  1.0  -2.0  6.5 ;1.0 
    1   35   PHE   HN      1  34   LYS+  HD*  1.0  1.0  -2.0  6.5 ;1.0 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   35   PHE   HB1     1  38   ARG+  HB1  1.0  1.0  -2.0  5.5 ;1.0
    1   35   PHE   HB1     1  38   ARG+  HG*  1.0  1.0  -2.0  6.5 ;1.0
    1   35   PHE   HB2     1  38   ARG+  HG*  1.0  1.0  -2.0  6.5 ;1.0
    1   35   PHE   HB2     1  38   ARG+  HB1  1.0  1.0  -2.0  4.0 ;1.0
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
     1   47   TRP   HN      1  46   ARG+  HG*  1.0  1.0  -2.0  6.5 ;1.0 
    1   47   TRP   HN      1  14   LEU   HD1*  1.0  1.0  -2.0  8.0 ;1.5
    1   47   TRP   HN      1  14   LEU   HD2*  1.0  1.0  -2.0  7.0 ;1.5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   47   TRP   HB*     1  14   LEU   HD1*  1.0  1.0  -2.0  8.0 ;1.0;1.5
    1   47   TRP   HB*     1  14   LEU   HD2*  1.0  1.0  -2.0  7.0 ;1.0;1.5
    1   47   TRP   HB*     1  18   VAL   HG2*  1.0  1.0  -2.0  9.0 ;1.0;1.0
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   47   TRP   HE1     1  18   VAL   HG1*  1.0  1.0  -2.0  6.0 ;1.5
    1   47   TRP   HE1     1  18   VAL   HG2*  1.0  1.0  -2.0  7.0 ;1.5
    1   47   TRP   HE1     1  18   VAL   HB    1.0  1.0  -2.0  5.5 
;    1   47   TRP   HE1     1  51   LYS+  HG*  1.0  1.0  -2.0  6.5 ;1.0 
; ;   1   47   TRP   HE1     1  51   LYS+  HB*  1.0  1.0  -2.0  6.5 ;1.0 
    1   47   TRP   HE1     1  51   LYS+  HD*  1.0  1.0  -2.0  6.5 ;1.0
    1   47   TRP   HE1     1  23   GLU-  HB*  1.0  1.0  -2.0  7.5 ;1.0
    1   47   TRP   HE1     1  23   GLU-  HG*  1.0  1.0  -2.0  6.5 ;1.0
    1   47   TRP   HE1     1  26   TRP   HH2  1.0  1.0  -2.0  6.5 ;1.0
    1   47   TRP   HE1     1  47   TRP   HB*  1.0  1.0  -2.0  7.5 ;1.0
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
    1   47   TRP   HZ3     1  15   ARG+  HA   1.0  1.0  -2.0  4.5  
    1   47   TRP   HZ3     1  15   ARG+  HB1  1.0  1.0  -2.0  4.5 
    1   47   TRP   HZ3     1  15   ARG+  HB2  1.0  1.0  -2.0  4.5 ;37-2,-0.5
    1   47   TRP   HZ3     1  18   VAL   HG2* 1.0  1.0  -2.0  8.0 ;1.5   
;    1   47   TRP   HZ3     1  47   TRP   HA   1.0  1.0  -2.0  5.0 ;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
    1   47   TRP   HZ2     1  51   LYS+  HB*  1.0  1.0  -2.0  6.5 ;1.0
    1   47   TRP   HZ2     1  51   LYS+  HG*  1.0  1.0  -2.0  6.5 ;1.0
    1   47   TRP   HZ2     1  51   LYS+  HD*  1.0  1.0  -2.0  6.5 ;1.0 ;27-5
    1   47   TRP   HZ2     1  18   VAL   HG1* 1.0  1.0  -2.0  6.0 ;1.5
    1   47   TRP   HZ2     1  18   VAL   HG2* 1.0  1.0  -2.0  7.0 ;1.5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   47   TRP   HE3     1  18   VAL   HG2* 1.0  1.0  -2.0  7.0 ;1.5
    1   47   TRP   HE3     1  14   LEU   HD1* 1.0  1.0  -2.0  7.0 ;1.5
    1   47   TRP   HE3     1  14   LEU   HD2* 1.0  1.0  -2.0  6.0 ;1.5
    1   47   TRP   HE3     1  50   MET   HB*  1.0  1.0  -2.0  6.5 ;1.0 ;CHECK! 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
    1   47   TRP   HH2     1  15   ARG+  HA   1.0  1.0  -2.0  5.5 
    1   47   TRP   HH2     1  15   ARG+  HB1  1.0  1.0  -2.0  5.5  
    1   47   TRP   HH2     1  15   ARG+  HB2  1.0  1.0  -2.0  6.0 
    1   47   TRP   HH2     1  18   VAL   HG1* 1.0  1.0  -2.0  6.0 ;37-2,-0.5
    1   47   TRP   HH2     1  18   VAL   HG2* 1.0  1.0  -2.0  8.0
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
    1   47   TRP   HD1     1  48   ARG+  HA   1.0  1.0  -2.0  5.5 
;    1   47   TRP   HD1     1  48   ARG+  HN   1.0  1.0  -2.0  5.0
    1   47   TRP   HD1     1  47   TRP   HN  1.0  1.0  -2.0   5.5 ;27-5 
    1   47   TRP   HD1     1  23   GLU-  HG*  1.0  1.0  -2.0  6.5 ;1.0
    1   47   TRP   HD1     1  51   LYS+  HG*  1.0  1.0  -2.0  6.5 ;37-2NEW
    1   47   TRP   HD1     1  51   LYS+  HD*  1.0  1.0  -2.0  7.5 ;1.0 ;27-5
    1   47   TRP   HD1     1  51   LYS+  HB*  1.0  1.0  -2.0  7.5 ;1.0 
    1   47   TRP   HD1     1  18   VAL   HG1* 1.0  1.0  -2.0  7.0 ;1.5
    1   47   TRP   HD1     1  18   VAL   HG2* 1.0  1.0  -2.0  7.0 ;1.5
    1   47   TRP   HD1     1  26   TRP   HZ2  1.0  1.0  -2.0  5.5 ;18bnew  
    1   47   TRP   HD1     1  26   TRP   HZ3  1.0  1.0  -2.0  6.5 ;18bnew
    1   47   TRP   HD1     1  26   TRP   HH2  1.0  1.0  -2.0  4.5 ;18bnew 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
     1    7   LEU   HN      1  11   ASP-  HN   1.0  1.0  1.9   6.5
    1    7   LEU   HN      1   7   LEU   HG  1.0  1.0   -2.0   4.0 ;27-5
;    1    7   LEU   HN      1  10   GLU-  HG*  1.0  1.0  -2.0  6.0 ;1.0
    1    7   LEU   HN      1  10   GLU-  HB*  1.0  1.0  -2.0  6.5
;    1    7   LEU   HN      1  10   GLU-  HB2  1.0  1.0  -2.0  5.5 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1    9   GLU-  HN      1   7   LEU   HD*  1.0  1.0   -2.0  9.4 ;3.9 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
;    1   10   GLU-  HN      1   6   TRP   HA  1.0  1.0  -2.0  5.0  
    1   10   GLU-  HN      1   7   LEU   HD*  1.0  1.0  -2.0  10.4 ;3.9
    1   10   GLU-  HN      1   9   GLU-  HG*  1.0  1.0  -2.0  6.5 ;1.0 ;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
;     1   11   ASP-  HN      1  10   GLU-  HG*  1.0  1.0  -2.0  6.0 ;1.0
;     1   11   ASP-  HN      1   6   TRP   HB1  1.0  1.0  -2.0  5.5 ;27-5
;     1   11   ASP-  HN      1   6   TRP   HB2  1.0  1.0  -2.0  6.5 ;27-5 
;    1   11   ASP-  HN      1   9   GLU-  HB*  1.0  1.0  -2.0  6.0 ;1.0;reserve
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
;    1   11   ASP-   HB*      1  14   LEU   HB1  1.0  1.0  -2.0  5.0 
;    1   11   ASP-   HB*     1  14   LEU   HB2  1.0  1.0  -2.0  5.0
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
    1   13   ASN   HN      1  12   LYS+  HD*  1.0  1.0  -2.0  5.5 ;1.0
    1   13   ASN   HN      1  12   LYS+  HG*  1.0  1.0  -2.0  6.5 ;1.0
;   1   13   ASN   HN      1  43   LEU   HD*  1.0  1.0  -2.0  7.9 ;3.9 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
;    1   13   ASN   HB1      1  14   LEU   HD1* 1.0  1.0  -2.0  6.5 ;27-5
;    1   13   ASN   HB1      1  14   LEU   HD2* 1.0  1.0  -2.0  6.5 ;27-5
;    1   13   ASN   HB2      1  10   GLU-  HA   1.0  1.0  -2.0  4.0 ;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
;    1   13   ASN   HD2*     1   9   GLU-  HB*  1.0  1.0  -2.0  7.0 ;1.0;1.0;27-5
    1   13   ASN   HD2*     1  10   GLU-  HG*  1.0  1.0  -2.0  7.5 ;1.0,1.0
    1   13   ASN   HD2*     1  10   GLU-  HA   1.0  1.0  -2.0  7.5 ;1.0
;    1   13   ASN   HD2*     1  12   LYS+  HB*   1.0  1.0  -2.0  6.5 ;37-5CHECK!
;    1   13   ASN   HD2*     1  12   LYS+  HA   1.0  1.0  -2.0  6.0 ;1.0 ;27-5
    1   13   ASN   HD2*     1  33   TYR   HB*  1.0  1.0  -2.0  6.5  ;1.0
    1   13   ASN   HD2*     1  34   LYS+  HB*  1.0  1.0  -2.0  6.5 ;1.0;1.0
    1   13   ASN   HD2*     1  34   LYS+  HN   1.0  1.0  -2.0  5.5 ;1.0 ;20NEW 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   14   LEU   HD2*    1  18   VAL   HG2* 1.0  1.0  -2.0  8.5 ;1.5;1.5;27-5
;    1   14   LEU   HD2*    1  43   LEU   HD* 1.0  1.0  -2.0   10.4 ;1.5,1.5;27-5
    1   14   LEU   HD2*    1  47   TRP   HA   1.0  1.0  -2.0  8.0 ;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   14   LEU   HD1*    1  43   LEU   HD1* 1.0  1.0  -2.0  8.5 ;1.5;1.5
    1   14   LEU   HD1*    1  43   LEU   HD2* 1.0  1.0  -2.0  8.5 ;1.5;1.5  
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   15   ARG+  HN      1  12   LYS+  HD*   1.0  1.0  -2.0  7.5 ;1.0
;    1   15   ARG+  HN      1  12   LYS+  HG*   1.0  1.0  -2.0  6.0 ;1.0
    1   15   ARG+  HN      1  14   LEU   HD2*  1.0  1.0  -2.0  8.0 ;1.5 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   15   ARG+  HA      1  18   VAL   HG1*  1.0  1.0  -2.0  8.0 ;1.5
    1   15   ARG+  HA      1  18   VAL   HG2*  1.0  1.0  -2.0  8.0 ;1.5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   16   SER   HN      1  15   ARG+  HG*  1.0  1.0  -2.0  5.5 ;1.0  
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
    1   17   GLY   HN      1  14   LEU   HD1*  1.0  1.0  -2.0  8.0 ;1.5 
    1   17   GLY   HN      1  29   ILE   HD1*  1.0  1.0  -2.0  8.0 ;1.5 
    1   17   GLY   HN      1  29   ILE   HG2*  1.0  1.0  -2.0  7.0 ;1.5 
;   1   17   GLY   HN      1  15   ARG+  HB*  1.0  1.0  -2.0  6.0 ;1.0 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   18   VAL   HN      1  29   ILE   HD1*  1.0  1.0  -2.0  6.0;1.5 
;    1   18   VAL   HN      1  14   LEU   HB1   1.0  1.0  -2.0  8.0  
;   1   18   VAL   HN      1  14   LEU   HD1*  1.0  1.0  -2.0  6.5 ;1.5
    1   18   VAL   HN      1  14   LEU   HD1*  1.0  1.0  -2.0  8.0 ;1.5 
;    1   18   VAL   HN      1  18   VAL   HG1*  1.0  1.0  -2.0  5.5 ;1.5
;    1   18   VAL   HN      1  18   VAL   HG2*  1.0  1.0  -2.0  4.0 ;1.5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   18   VAL   HA      1  29   ILE   HD1  1.0  1.0  -2.0  6.0 ;1.5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   18   VAL   HG2*    1  14   LEU   HD1* 1.0  1.0  -2.0  7.0 ;1.0;1.5
    1   18   VAL   HG2*    1  29   ILE   HD1* 1.0  1.0  -2.0  7.0 ;1.5;1.5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   19   ARG+  HN      1  18   VAL   HG1*  1.0  1.0  -2.0  7.0
    1   19   ARG+  HN      1  18   VAL   HG2*  1.0  1.0  -2.0  7.0
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   20   LYS+  HN      1  18   VAL   HG1*  1.0  1.0  -2.0  8.0
    1   20   LYS+  HN      1  18   VAL   HG2*  1.0  1.0  -2.0  8.0
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   22   GLY   HN      1  18   VAL   HG1*  1.0  1.0  -2.0 7.0 ;1.5  
    1   22   GLY   HN      1  29   ILE   HD1* 1.0  1.0  -2.0  8.0 ;1.5 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   23   GLU-  HN      1  18   VAL   HG1*  1.0  1.0  -2.0  6.0 ;1.5
    1   23   GLU-  HN      1  18   VAL   HG2*  1.0  1.0  -2.0  8.0 ;1.5 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   23   GLU-  HA      1  18   VAL   HG1*  1.0  1.0  -2.0  7.0 ;1.5
    1   23   GLU-  HA      1  18   VAL   HG2*  1.0  1.0  -2.0  7.0 ;1.5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
;   1   25   ASN   HN      1  28   LYS+   HG*  1.0  1.0  -2.0  6.0 ;27-5
   1   25   ASN   HN      1  29   ILE    HD1* 1.0  1.0  -2.0  8.0 ;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
;   1   25   ASN   HD2*    1  22   GLY    HA*  1.0  1.0  -2.0  7.0 ;1.0,1.0 
;   1   25   ASN   HD2*    1  21   TYR    HB1  1.0  1.0  -2.0  5.0 ;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
;    1   28   LYS+  HN      1  25   ASN   HB*  1.0  1.0  -2.0  6.0 ;1.0;27-5CHECK!
     1   28   LYS+  HN       1   31   LEU   HD*  1.0  1.0  -2.0   10.4 ;1.5;27-5 
;    1   28   LYS+  HN       1   29   ILE   HG1*  1.0  1.0  -2.0  6.5 ;1.5;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
;    1   29   ILE   HD1*    1  14   LEU   HD2* 1.0  1.0  -2.0  8.0  ;27-5
;    1   29   ILE   HD1*    1  14   LEU   HG   1.0  1.0  -2.0  6.5  ;27-5
     1   29   ILE   HD1*    1  21   TYR   HB1  1.0  1.0  -2.0  7.0  ;27-5
     1   29   ILE   HD1*    1  21   TYR   HB2  1.0  1.0  -2.0  7.0  ;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   30   LEU   HN      1  43   LEU   HD1* 1.0  1.0  -2.0  7.0 ;27-5
    1   30   LEU   HN      1  43   LEU   HD2* 1.0  1.0  -2.0  7.0 ;27-5 
    1   30   LEU   HD*    1  39   THR   HA   1.0  1.0  -2.0  9.4 ;27-5
;    1   30   LEU   HD2*    1  39   THR   HA   1.0  1.0  -2.0  6.5 ;27-5
    1   30   LEU   HD*    1  35   PHE   HB1  1.0  1.0  -2.0  9.4 ;27-5
    1   30   LEU   HD*    1  35   PHE   HB2  1.0  1.0  -2.0  10.4 ;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
;    1    36   ASN  HD2*      1   7   LEU   HB*  1.0  1.0   1.9  7.0 ;1.0;1.0;20NEW
;    1    36   ASN  HD2*      1   7   LEU   HG*  1.0  1.0   1.9  6.0 ;1.0 ;20NEW
    1    36   ASN  HD2*      1   7   LEU   HD*  1.0  1.0   1.9  10.4 ;1.0;3.9
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   36   ASN   HN     1   7   LEU   HD*   1.0  1.0  -2.0  10.4 ;3.9 ;27-5  
;    1   36   ASN   HN     1  10   GLU-  HG*   1.0  1.0  -2.0   6.5 ;1.0 ;27-5     
    1   36   ASN   HN      1  38   ARG+  HB1   1.0  1.0  -2.0  4.5 ;1.0 ;18new
    1   36   ASN   HN      1  38   ARG+  HG*   1.0  1.0  -2.0  6.5 ;1.0 ;18new
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   38   ARG+  HN      1  35   PHE   HB*  1.0  1.0  -2.0  5.5 
;    1   38   ARG+  HN      1  35   PHE   HB2  1.0  1.0  -2.0  5.5  
    1   38   ARG+  HN      1  30   LEU   HD*  1.0  1.0  -2.0  10.4 ;1.5 
;    1   38   ARG+  HN      1  38   ARG+  HB1*   1.0  1.0  -2.0  3.0 ;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
;   1    38   ARG+  HB*     1  43   LEU   HD1*  1.0  1.0  -2.0  7.5 ;27-5
;   1    38   ARG+  HB*     1  43   LEU   HD2*  1.0  1.0  -2.0  7.5 ;27-5 
;   1    38   ARG+  HB*     1  35   PHE   HB*   1.0  1.0  -2.0  7.0 ;27-5  
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
;   1   39   THR   HN      1  37   ASN   HA   1.0  1.0  -2.0  5.0 ;12del
    1   39   THR   HN      1  38   ARG+  HG*  1.0  1.0  -2.0  6.5 ;1.0 ;18bnew
    1   39   THR   HN      1  38   ARG+  HD*  1.0  1.0  -2.0  7.5 ;1.0 ;27-5
    1   39   THR   HN      1  42   MET   HA   1.0  1.0  -2.0  5.5 ;18bnew
    1   39   THR   HN      1  42   MET   HB*  1.0  1.0  -2.0  5.0 ;1.0
    1   39   THR   HN      1  42   MET   HG*  1.0  1.0  -2.0  5.5 ;1.0
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   40   SER   HN      1  39   THR   HG2*  1.0  1.0  -2.0  7.0 ;1.5 
    1   40   SER   HN      1  30   LEU   HD*  1.0  1.0  -2.0   9.4 ;1.5 ;;;3/1
;    1   40   SER   HN      1  30   LEU   HD2*  1.0  1.0  -2.0  6.5 ;1.5 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
;    1   41   VAL   HN      1  39   THR   HB    1.0  1.0  -2.0  5.0 ;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
;    1   42   MET   HN      1  39   THR   HG2*  1.0  1.0  -2.0  6.5  ;1.5
    1   42   MET   HN      1  41   VAL   HG1*  1.0  1.0  -2.0 7.0 ;1.5
    1   42   MET   HN      1  41   VAL   HG2*  1.0  1.0  -2.0 7.0 ;1.5 
    1   42   MET   HN      1  43   LEU   HD*  1.0  1.0  -2.0  10.4 ;1.5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   42   MET   HB*     1  41   VAL   HG1*  1.0  1.0  -2.0  9.0 ;27-5
    1   42   MET   HB*     1  41   VAL   HG2*  1.0  1.0  -2.0  9.0 ;27-5
    1   42   MET   HB*     1  38   ARG+  HD*   1.0  1.0  -2.0  5.0 ;1.0,1.0
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   42   MET   HG*     1  41   VAL   HG1*  1.0  1.0  -2.0  8.0 ;27-5
    1   42   MET   HG*     1  41   VAL   HG2*  1.0  1.0  -2.0  8.0 ;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   43   LEU   HA      1  30   LEU   HD* 1.0  1.0  -2.0   9.4 ;3.9 ;27-5
    1   43   LEU   HN      1  39   THR   HN   1.0  1.0  -2.0  5.0 ;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
     1   43   LEU   HD1*    1  30   LEU   HD* 1.0  1.0  -2.0  10.9 ;1.5;1.5
;    1   43   LEU   HD1*    1  30   LEU   HD2* 1.0  1.0  -2.0  7.0 ;1.5;1.5
;    1   43   LEU   HD1*    1  29   ILE   HG2* 1.0  1.0  -2.0  8.0 ;1.5,1.5;27-5
;    1   43   LEU   HD1*    1  29   ILE   HB   1.0  1.0  -2.0  6.5 ;1.5;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
     1   43   LEU   HD2*    1  30   LEU   HD* 1.0  1.0  -2.0  10.9 ;1.5;1.5
;    1   43   LEU   HD2*    1  30   LEU   HD2* 1.0  1.0  -2.0  8.0 ;1.5;1.5
;    1   43   LEU   HD2*    1  29   ILE   HG2* 1.0  1.0  -2.0  8.0 ;1.5,1.5;27-5
;    1   43   LEU   HD2*    1  29   ILE   HB   1.0  1.0  -2.0  6.5 ;1.5,27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   44   LYS+  HN      1  43   LEU   HG    1.0  1.0  -2.0  5.5 ;27-5
    1   44   LYS+  HN      1  43   LEU   HD*  1.0  1.0  -2.0  10.4 ;1.5 ;27-5 
;    1   44   LYS+  HN      1  43   LEU   HD2*  1.0  1.0  -2.0  6.5 ;1.5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   45   ASP-  HN      1  44   LYS+  HG*  1.0  1.0  -2.0  5.5 ;1.0 
    1   45   ASP-  HN      1  41   VAL   HG1*  1.0  1.0  -2.0  8.0 ;1.5
    1   45   ASP-  HN      1  41   VAL   HG2*  1.0  1.0  -2.0  8.0 ;1.5 
    1   45   ASP-  HN      1  44   LYS+  HD*  1.0  1.0  -2.0  6.5 ;1.0 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
    1   46   ARG+  HN      1  47   TRP   HB*  1.0  1.0  -2.0  8.0 ;1.0 
    1   46   ARG+  HN      1  14   LEU   HD1*  1.0  1.0  -2.0  7.0 ;1.5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
    1   46   ARG+  HA      1  45   ASP-   HB*   1.0  1.0  -2.0  5.5 ;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
;    1   49   THR   HN      1  48   ARG+  HD*   1.0  1.0  -2.0  6.0  ;27-5
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
;    1   50   MET   HN      1  51   LYS+  HD*   1.0  1.0  -2.0  6.5  ;27-5
;    1   50   MET   HN      1  47   TRP   HB*  1.0  1.0  -2.0   8.0 ;1.0
;    1   50   MET   HN      1  48   ARG+  HB*  1.0  1.0  -2.0  8.0 ;1.0 ;27-5
    1   50   MET   HN      1  49   THR   HG2*  1.0  1.0  -2.0  7.0 ;1.5 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 
    1   51   LYS+  HN      1  50   MET   HG*  1.0  1.0  -2.0  7.5 ;1.0 
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
;    1    52   LYS+ HN        1   51  LYS+  HD*  1.0  1.0  -2.0  6.5  ;1.0  
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;


   
END
RDDSTC> STOP


 CDIHE> LIST                                                                     
; MAIN-CHAIN PHI FOR TRF.DBD   
   1     7 C     8 N      8 CA     8 C    1.0  1.0  -90.0  -40.0  NO  ;04       
   1     8 C     9 N      9 CA     9 C    1.0  1.0  -90.0  -40.0  NO  ;05       
   1    10 C    11 N     11 CA    11 C    1.0  1.0  -90.0  -40.0  NO  ;06       
   1    11 C    12 N     12 CA    12 C    1.0  1.0  -90.0  -40.0  NO  ;07       
   1    12 C    13 N     13 CA    13 C    1.0  1.0  -90.0  -40.0  NO  ;08       
   1    13 C    14 N     14 CA    14 C    1.0  1.0  -90.0  -40.0  NO  ;09       
   1    14 C    15 N     15 CA    15 C    1.0  1.0  -90.0  -40.0  NO  ;10       
   1    15 C    16 N     16 CA    16 C    1.0  1.0  -90.0  -40.0  NO  ;11       
   1    17 C    18 N     18 CA    18 C    1.0  1.0  -90.0  -40.0  NO  ;12       
   1    18 C    19 N     19 CA    19 C    1.0  1.0  -90.0  -40.0  NO  ;13  
   1    22 C    23 N     23 CA    23 C    1.0  1.0  -90.0  -40.0  NO  ;16       
   1    24 C    25 N     25 CA    25 C    1.0  1.0 -160.0  -80.0  NO  ;17  
   1    26 C    27 N     27 CA    27 C    1.0  1.0  -90.0  -40.0  NO  ;19       
   1    27 C    28 N     28 CA    28 C    1.0  1.0  -90.0  -40.0  NO  ;20       
   1    28 C    29 N     29 CA    29 C    1.0  1.0  -90.0  -40.0  NO  ;21       
   1    29 C    30 N     30 CA    30 C    1.0  1.0  -90.0  -40.0  NO  ;22       
   1    30 C    31 N     31 CA    31 C    1.0  1.0  -90.0  -40.0  NO  ;23       
   1    37 C    38 N     38 CA    38 C    1.0  1.0 -160.0  -80.0  NO  ;29  
   1    40 C    41 N     41 CA    41 C    1.0  1.0  -90.0  -40.0  NO  ;32       
   1    41 C    42 N     42 CA    42 C    1.0  1.0  -90.0  -40.0  NO  ;33       
   1    42 C    43 N     43 CA    43 C    1.0  1.0  -90.0  -40.0  NO  ;34       
   1    43 C    44 N     44 CA    44 C    1.0  1.0  -90.0  -40.0  NO  ;35       
   1    44 C    45 N     45 CA    45 C    1.0  1.0  -90.0  -40.0  NO  ;36       
   1    45 C    46 N     46 CA    46 C    1.0  1.0  -90.0  -40.0  NO  ;37       
   1    46 C    47 N     47 CA    47 C    1.0  1.0  -90.0  -40.0  NO  ;38       
   1    47 C    48 N     48 CA    48 C    1.0  1.0  -90.0  -40.0  NO  ;39       
   1    48 C    49 N     49 CA    49 C    1.0  1.0  -90.0  -40.0  NO  ;40       
END                                                                             
CDIHE> STOP                                                                     

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1           H3       ARG   1 -15.999  13.286  -2.990
    2   2H    ARG   1           H1       ARG   1 -16.633  14.805  -3.097
    3   3H    ARG   1           H2       ARG   1 -16.412  13.905  -4.462
    4    HA   ARG   1           HA       ARG   1 -14.074  13.959  -4.245
    5   1HB   ARG   1           H        ARG   1 -15.398  16.694  -4.017
    6   2HB   ARG   1           H        ARG   1 -13.706  16.427  -4.507
    7   1HG   ARG   1           H        ARG   1 -14.550  14.938  -6.369
    8   2HG   ARG   1           H        ARG   1 -16.209  15.404  -5.924
    9   1HD   ARG   1           H        ARG   1 -15.532  16.847  -7.727
   10   2HD   ARG   1           H        ARG   1 -15.519  17.825  -6.242
   11    HE   ARG   1           H        ARG   1 -12.924  16.734  -6.595
   12   1HH1  ARG   1           H        ARG   1 -15.131  19.028  -8.151
   13   2HH1  ARG   1           H        ARG   1 -13.852  20.009  -8.828
   14   1HH2  ARG   1           H        ARG   1 -11.239  18.027  -7.503
   15   2HH2  ARG   1           H        ARG   1 -11.632  19.438  -8.458
   16    H    LYS   2           H        LYS   2 -14.140  16.905  -2.487
   17    HA   LYS   2           HA       LYS   2 -13.228  17.570  -0.514
   18   1HB   LYS   2           H        LYS   2 -14.326  14.882   0.401
   19   2HB   LYS   2           H        LYS   2 -13.561  16.045   1.499
   20   1HG   LYS   2           H        LYS   2 -15.917  16.741  -0.310
   21   2HG   LYS   2           H        LYS   2 -16.094  16.192   1.373
   22   1HD   LYS   2           H        LYS   2 -14.385  18.122   1.915
   23   2HD   LYS   2           H        LYS   2 -14.872  18.765   0.330
   24   1HE   LYS   2           H        LYS   2 -16.766  18.072   2.622
   25   2HE   LYS   2           H        LYS   2 -16.237  19.710   2.185
   26   1HZ   LYS   2           H        LYS   2 -17.257  19.396   0.043
   27   2HZ   LYS   2           H        LYS   2 -17.768  17.885   0.467
   28   3HZ   LYS   2           H        LYS   2 -18.363  19.208   1.254
   29    H    ARG   3           H        ARG   3 -12.454  14.091  -0.046
   30    HA   ARG   3           HA       ARG   3  -9.645  14.567  -0.785
   31   1HB   ARG   3           H        ARG   3  -9.802  15.316   1.585
   32   2HB   ARG   3           H        ARG   3 -10.476  13.730   2.030
   33   1HG   ARG   3           H        ARG   3  -8.419  12.610   1.297
   34   2HG   ARG   3           H        ARG   3  -7.751  14.156   0.718
   35   1HD   ARG   3           H        ARG   3  -7.801  15.055   3.011
   36   2HD   ARG   3           H        ARG   3  -8.526  13.541   3.603
   37    HE   ARG   3           H        ARG   3  -6.118  12.892   2.251
   38   1HH1  ARG   3           H        ARG   3  -7.228  14.597   5.152
   39   2HH1  ARG   3           H        ARG   3  -5.772  14.274   6.065
   40   1HH2  ARG   3           H        ARG   3  -4.199  12.468   3.462
   41   2HH2  ARG   3           H        ARG   3  -4.048  13.053   5.103
   42    H    GLN   4           H        GLN   4  -9.178  12.862  -2.050
   43    HA   GLN   4           HA       GLN   4 -10.755  10.445  -1.997
   44   1HB   GLN   4           HB1      GLN   4  -9.155   9.679  -3.729
   45   2HB   GLN   4           HB2      GLN   4  -9.773  11.309  -4.078
   46   1HG   GLN   4           HG1      GLN   4  -7.725  12.336  -3.285
   47   2HG   GLN   4           HG2      GLN   4  -7.132  10.791  -2.643
   48   1HE2  GLN   4           HE21     GLN   4  -7.191  11.338  -6.768
   49   2HE2  GLN   4           HE22     GLN   4  -8.405  12.102  -5.767
   50    H    ALA   5           H        ALA   5  -9.834   8.255  -1.693
   51    HA   ALA   5           HA       ALA   5  -7.401   7.978  -0.119
   52   1HB   ALA   5           HB3      ALA   5  -8.977   8.741   1.625
   53   2HB   ALA   5           HB1      ALA   5 -10.120   7.459   1.163
   54   3HB   ALA   5           HB2      ALA   5  -8.543   7.033   1.870
   55    H    TRP   6           H        TRP   6  -7.049   5.644   0.451
   56    HA   TRP   6           HA       TRP   6  -7.814   3.958  -1.804
   57   1HB   TRP   6           HB2      TRP   6  -6.126   3.613   0.690
   58   2HB   TRP   6           HB1      TRP   6  -6.466   2.267  -0.399
   59    HD1  TRP   6           HD1      TRP   6  -5.913   5.484  -2.213
   60    HE1  TRP   6           HE1      TRP   6  -3.593   5.522  -3.333
   61    HE3  TRP   6           HE3      TRP   6  -3.887   1.356   0.017
   62    HZ2  TRP   6           HZ2      TRP   6  -1.186   3.966  -3.253
   63    HZ3  TRP   6           HZ3      TRP   6  -1.573   0.667  -0.529
   64    HH2  TRP   6           HH2      TRP   6  -0.215   1.975  -2.143
   65    H    LEU   7           H        LEU   7  -8.515   1.616  -1.271
   66    HA   LEU   7           HA       LEU   7 -10.883   1.787   0.496
   67   1HB   LEU   7           HB2      LEU   7 -11.561  -0.321  -0.632
   68   2HB   LEU   7           HB1      LEU   7 -11.293   1.011  -1.776
   69    HG   LEU   7           HG       LEU   7  -8.861  -0.578  -1.250
   70   1HD1  LEU   7           HD12     LEU   7 -11.255  -1.888  -2.606
   71   2HD1  LEU   7           HD11     LEU   7  -9.600  -2.542  -2.564
   72   3HD1  LEU   7           HD13     LEU   7 -10.534  -2.389  -1.058
   73   1HD2  LEU   7           HD22     LEU   7  -9.103   1.113  -3.065
   74   2HD2  LEU   7           HD21     LEU   7  -8.735  -0.500  -3.718
   75   3HD2  LEU   7           HD23     LEU   7 -10.396   0.132  -3.790
   76    H    TRP   8           H        TRP   8 -11.401  -0.234   1.770
   77    HA   TRP   8           HA       TRP   8  -9.504  -0.577   3.785
   78   1HB   TRP   8           HB1      TRP   8 -10.961  -2.326   4.610
   79   2HB   TRP   8           HB2      TRP   8 -11.928  -0.984   3.986
   80    HD1  TRP   8           HD1      TRP   8 -13.203  -1.405   1.650
   81    HE1  TRP   8           HE1      TRP   8 -14.129  -3.537   0.541
   82    HE3  TRP   8           HE3      TRP   8 -10.566  -4.902   4.304
   83    HZ2  TRP   8           HZ2      TRP   8 -13.770  -6.359   0.778
   84    HZ3  TRP   8           HZ3      TRP   8 -10.894  -7.316   3.828
   85    HH2  TRP   8           HH2      TRP   8 -12.487  -8.049   2.072
   86    H    GLU   9           H        GLU   9 -10.228  -2.844   1.042
   87    HA   GLU   9           HA       GLU   9  -8.439  -4.860   1.940
   88   1HB   GLU   9           H        GLU   9 -10.325  -4.960   0.146
   89   2HB   GLU   9           H        GLU   9  -9.072  -4.384  -0.980
   90   1HG   GLU   9           H        GLU   9  -7.679  -6.352   0.273
   91   2HG   GLU   9           H        GLU   9  -9.318  -7.011   0.442
   92    H    GLU  10           H        GLU  10  -7.979  -2.133  -0.369
   93    HA   GLU  10           HA       GLU  10  -5.368  -2.850  -1.190
   94   1HB   GLU  10           H        GLU  10  -7.024  -1.093  -2.130
   95   2HB   GLU  10           H        GLU  10  -6.329   0.011  -0.924
   96   1HG   GLU  10           H        GLU  10  -4.096  -0.349  -1.857
   97   2HG   GLU  10           H        GLU  10  -4.730  -1.574  -2.975
   98    H    ASP  11           H        ASP  11  -6.490  -0.717   1.505
   99    HA   ASP  11           HA       ASP  11  -3.891   0.030   2.407
  100   1HB   ASP  11           H        ASP  11  -5.956   1.172   3.107
  101   2HB   ASP  11           H        ASP  11  -6.509  -0.300   3.933
  102    H    LYS  12           H        LYS  12  -6.114  -2.609   3.419
  103    HA   LYS  12           HA       LYS  12  -4.505  -3.763   5.416
  104   1HB   LYS  12           H        LYS  12  -6.868  -4.309   5.033
  105   2HB   LYS  12           H        LYS  12  -6.470  -5.036   3.470
  106   1HG   LYS  12           H        LYS  12  -4.976  -6.069   5.857
  107   2HG   LYS  12           H        LYS  12  -6.700  -6.472   5.775
  108   1HD   LYS  12           H        LYS  12  -4.581  -7.102   3.659
  109   2HD   LYS  12           H        LYS  12  -5.396  -8.260   4.723
  110   1HE   LYS  12           H        LYS  12  -6.513  -6.746   2.349
  111   2HE   LYS  12           H        LYS  12  -6.560  -8.483   2.691
  112   1HZ   LYS  12           H        LYS  12  -8.089  -8.015   4.478
  113   2HZ   LYS  12           H        LYS  12  -8.070  -6.406   4.115
  114   3HZ   LYS  12           H        LYS  12  -8.679  -7.488   3.031
  115    H    ASN  13           H        ASN  13  -4.568  -4.339   1.866
  116    HA   ASN  13           HA       ASN  13  -2.766  -6.519   1.794
  117   1HB   ASN  13           HB2      ASN  13  -3.405  -4.303  -0.189
  118   2HB   ASN  13           HB1      ASN  13  -2.325  -5.650  -0.569
  119   1HD2  ASN  13           HD22     ASN  13  -5.785  -6.505  -1.767
  120   2HD2  ASN  13           HD21     ASN  13  -4.488  -5.392  -2.180
  121    H    LEU  14           H        LEU  14  -2.141  -2.990   1.374
  122    HA   LEU  14           HA       LEU  14   0.658  -3.185   1.079
  123   1HB   LEU  14           HB2      LEU  14  -0.752  -1.178   0.616
  124   2HB   LEU  14           HB1      LEU  14  -0.973  -0.942   2.359
  125    HG   LEU  14           HG       LEU  14   1.813  -1.126   1.151
  126   1HD1  LEU  14           HD13     LEU  14   0.067   1.360   1.406
  127   2HD1  LEU  14           HD11     LEU  14   1.799   1.355   0.999
  128   3HD1  LEU  14           HD12     LEU  14   0.625   0.619  -0.108
  129   1HD2  LEU  14           HD21     LEU  14   0.555  -0.120   3.710
  130   2HD2  LEU  14           HD22     LEU  14   2.001  -1.133   3.488
  131   3HD2  LEU  14           HD23     LEU  14   2.072   0.601   3.139
  132    H    ARG  15           H        ARG  15  -1.207  -2.334   4.055
  133    HA   ARG  15           HA       ARG  15   0.980  -2.214   5.792
  134   1HB   ARG  15           H        ARG  15  -1.320  -1.419   6.264
  135   2HB   ARG  15           H        ARG  15  -1.872  -3.103   6.395
  136   1HG   ARG  15           H        ARG  15  -0.580  -3.492   8.358
  137   2HG   ARG  15           H        ARG  15   0.423  -2.048   8.082
  138   1HD   ARG  15           H        ARG  15  -1.569  -0.606   8.441
  139   2HD   ARG  15           H        ARG  15  -2.552  -2.047   8.763
  140    HE   ARG  15           H        ARG  15  -0.605  -0.773  10.547
  141   1HH1  ARG  15           H        ARG  15  -2.333  -3.771   9.775
  142   2HH1  ARG  15           H        ARG  15  -2.298  -4.371  11.415
  143   1HH2  ARG  15           H        ARG  15  -0.573  -1.569  12.710
  144   2HH2  ARG  15           H        ARG  15  -1.272  -3.126  13.085
  145    H    SER  16           H        SER  16  -1.207  -5.042   5.229
  146    HA   SER  16           HA       SER  16   0.162  -6.785   7.008
  147   1HB   SER  16           HB1      SER  16  -2.156  -7.114   6.158
  148   2HB   SER  16           HB2      SER  16  -1.495  -7.462   4.541
  149    HG   SER  16           HG       SER  16  -1.069  -8.909   6.948
  150    H    GLY  17           H        GLY  17   0.694  -6.043   3.544
  151   1HA   GLY  17           HA2      GLY  17   2.484  -8.300   3.156
  152   2HA   GLY  17           HA1      GLY  17   2.178  -6.964   2.030
  153    H    VAL  18           H        VAL  18   3.013  -4.738   3.047
  154    HA   VAL  18           HA       VAL  18   5.779  -4.780   2.805
  155    HB   VAL  18           HB       VAL  18   3.954  -2.768   4.185
  156   1HG1  VAL  18           HG11     VAL  18   6.866  -2.603   3.319
  157   2HG1  VAL  18           HG12     VAL  18   5.859  -1.174   3.635
  158   3HG1  VAL  18           HG13     VAL  18   6.200  -2.324   4.945
  159   1HG2  VAL  18           HG21     VAL  18   5.155  -2.904   1.379
  160   2HG2  VAL  18           HG22     VAL  18   3.452  -3.198   1.788
  161   3HG2  VAL  18           HG23     VAL  18   4.149  -1.581   2.011
  162    H    ARG  19           H        ARG  19   3.845  -4.865   5.857
  163    HA   ARG  19           HA       ARG  19   6.028  -4.437   7.597
  164   1HB   ARG  19           H        ARG  19   4.581  -5.197   9.358
  165   2HB   ARG  19           H        ARG  19   3.597  -4.297   8.188
  166   1HG   ARG  19           H        ARG  19   2.220  -6.118   8.325
  167   2HG   ARG  19           H        ARG  19   3.364  -6.828   7.171
  168   1HD   ARG  19           H        ARG  19   3.009  -8.402   8.995
  169   2HD   ARG  19           H        ARG  19   4.660  -7.765   9.117
  170    HE   ARG  19           H        ARG  19   2.842  -6.178  10.683
  171   1HH1  ARG  19           H        ARG  19   4.514  -9.301  10.617
  172   2HH1  ARG  19           H        ARG  19   4.567  -9.463  12.356
  173   1HH2  ARG  19           H        ARG  19   2.951  -6.381  12.982
  174   2HH2  ARG  19           H        ARG  19   3.675  -7.798  13.705
  175    H    LYS  20           H        LYS  20   5.018  -7.446   5.930
  176    HA   LYS  20           HA       LYS  20   6.953  -8.944   7.630
  177   1HB   LYS  20           H        LYS  20   5.902 -10.974   6.764
  178   2HB   LYS  20           H        LYS  20   4.698  -9.891   7.493
  179   1HG   LYS  20           H        LYS  20   3.961  -9.143   5.299
  180   2HG   LYS  20           H        LYS  20   5.268 -10.037   4.497
  181   1HD   LYS  20           H        LYS  20   4.342 -12.163   5.179
  182   2HD   LYS  20           H        LYS  20   3.154 -11.373   6.240
  183   1HE   LYS  20           H        LYS  20   3.174 -10.641   3.318
  184   2HE   LYS  20           H        LYS  20   2.492 -12.212   3.788
  185   1HZ   LYS  20           H        LYS  20   1.668  -9.617   4.896
  186   2HZ   LYS  20           H        LYS  20   0.848 -10.464   3.737
  187   3HZ   LYS  20           H        LYS  20   1.011 -11.086   5.257
  188    H    TYR  21           H        TYR  21   6.463  -7.793   4.301
  189    HA   TYR  21           HA       TYR  21   8.591  -9.544   3.292
  190   1HB   TYR  21           HB2      TYR  21   6.904  -7.353   2.051
  191   2HB   TYR  21           HB1      TYR  21   8.210  -8.173   1.180
  192    HD1  TYR  21           HD1      TYR  21   7.994 -10.974   1.802
  193    HD2  TYR  21           HD2      TYR  21   4.834  -8.101   1.281
  194    HE1  TYR  21           HE1      TYR  21   6.433 -12.798   1.178
  195    HE2  TYR  21           HE2      TYR  21   3.281  -9.922   0.640
  196    HH   TYR  21           HH       TYR  21   4.307 -13.346   0.525
  197    H    GLY  22           H        GLY  22   8.149  -5.944   3.585
  198   1HA   GLY  22           HA1      GLY  22  10.417  -5.202   4.826
  199   2HA   GLY  22           HA2      GLY  22  11.051  -5.592   3.211
  200    H    GLU  23           H        GLU  23  10.905  -2.986   4.630
  201    HA   GLU  23           HA       GLU  23   8.870  -1.428   3.211
  202   1HB   GLU  23           H        GLU  23  11.196  -0.440   4.910
  203   2HB   GLU  23           H        GLU  23   9.679   0.410   4.531
  204   1HG   GLU  23           H        GLU  23   8.478  -1.549   5.699
  205   2HG   GLU  23           H        GLU  23  10.076  -2.027   6.310
  206    H    GLY  24           H        GLY  24  10.182  -2.615   1.228
  207   1HA   GLY  24           HA1      GLY  24  11.136  -0.614  -0.441
  208   2HA   GLY  24           HA2      GLY  24  12.584  -1.266   0.359
  209    H    ASN  25           H        ASN  25   9.541  -2.880  -0.660
  210    HA   ASN  25           HA       ASN  25  10.924  -4.316  -2.813
  211   1HB   ASN  25           HB1      ASN  25  11.424  -5.585  -0.690
  212   2HB   ASN  25           HB2      ASN  25   9.679  -5.792  -0.449
  213   1HD2  ASN  25           HD21     ASN  25  11.044  -7.597  -3.923
  214   2HD2  ASN  25           HD22     ASN  25  11.434  -5.927  -3.593
  215    H    TRP  26           H        TRP  26   9.116  -2.433  -3.158
  216    HA   TRP  26           HA       TRP  26   6.375  -3.076  -2.894
  217   1HB   TRP  26           HB2      TRP  26   7.460  -1.353  -5.110
  218   2HB   TRP  26           HB1      TRP  26   6.021  -1.119  -4.111
  219    HD1  TRP  26           HD1      TRP  26   9.259   0.311  -4.581
  220    HE1  TRP  26           HE1      TRP  26  10.167   1.577  -2.532
  221    HE3  TRP  26           HE3      TRP  26   6.022  -1.470  -1.037
  222    HZ2  TRP  26           HZ2      TRP  26   9.582   1.760   0.257
  223    HZ3  TRP  26           HZ3      TRP  26   6.234  -0.711   1.314
  224    HH2  TRP  26           HH2      TRP  26   8.008   0.894   1.968
  225    H    SER  27           H        SER  27   8.764  -3.986  -5.354
  226    HA   SER  27           HA       SER  27   6.997  -4.674  -7.456
  227   1HB   SER  27           HB1      SER  27   9.661  -5.894  -6.612
  228   2HB   SER  27           HB2      SER  27   8.853  -6.193  -8.170
  229    HG   SER  27           HG       SER  27   9.480  -3.596  -7.216
  230    H    LYS  28           H        LYS  28   8.282  -6.644  -4.724
  231    HA   LYS  28           HA       LYS  28   6.903  -9.040  -5.411
  232   1HB   LYS  28           H        LYS  28   8.889  -8.764  -3.868
  233   2HB   LYS  28           H        LYS  28   7.773  -8.099  -2.652
  234   1HG   LYS  28           H        LYS  28   6.542 -10.163  -2.536
  235   2HG   LYS  28           H        LYS  28   7.376 -10.818  -3.965
  236   1HD   LYS  28           H        LYS  28   9.525 -10.790  -2.725
  237   2HD   LYS  28           H        LYS  28   8.700 -10.108  -1.304
  238   1HE   LYS  28           H        LYS  28   8.995 -12.533  -1.039
  239   2HE   LYS  28           H        LYS  28   7.272 -12.127  -1.161
  240   1HZ   LYS  28           H        LYS  28   8.851 -12.971  -3.476
  241   2HZ   LYS  28           H        LYS  28   8.068 -14.045  -2.500
  242   3HZ   LYS  28           H        LYS  28   7.204 -12.904  -3.326
  243    H    ILE  29           H        ILE  29   6.056  -6.235  -3.341
  244    HA   ILE  29           HA       ILE  29   3.699  -7.263  -2.172
  245    HB   ILE  29           HB       ILE  29   4.488  -4.439  -3.005
  246   1HG1  ILE  29           HG12     ILE  29   5.851  -5.760  -1.245
  247   2HG1  ILE  29           HG11     ILE  29   5.267  -4.146  -0.792
  248   1HG2  ILE  29           HG23     ILE  29   2.115  -5.448  -1.405
  249   2HG2  ILE  29           HG22     ILE  29   2.736  -3.787  -1.248
  250   3HG2  ILE  29           HG21     ILE  29   2.123  -4.361  -2.812
  251   1HD1  ILE  29           HD12     ILE  29   3.784  -6.722  -0.127
  252   2HD1  ILE  29           HD13     ILE  29   4.923  -5.917   0.972
  253   3HD1  ILE  29           HD11     ILE  29   3.432  -5.089   0.478
  254    H    LEU  30           H        LEU  30   4.136  -5.350  -5.192
  255    HA   LEU  30           HA       LEU  30   1.408  -5.375  -5.979
  256   1HB   LEU  30           HB2      LEU  30   3.395  -3.940  -6.816
  257   2HB   LEU  30           HB1      LEU  30   3.798  -5.324  -7.856
  258    HG   LEU  30           HG       LEU  30   1.254  -5.177  -8.566
  259   1HD1  LEU  30           HD13     LEU  30   0.666  -3.474  -6.837
  260   2HD1  LEU  30           HD11     LEU  30   1.807  -2.337  -7.589
  261   3HD1  LEU  30           HD12     LEU  30   0.367  -2.877  -8.485
  262   1HD2  LEU  30           HD22     LEU  30   3.331  -3.111  -9.417
  263   2HD2  LEU  30           HD21     LEU  30   3.160  -4.759 -10.071
  264   3HD2  LEU  30           HD23     LEU  30   1.879  -3.555 -10.347
  265    H    LEU  31           H        LEU  31   4.055  -7.720  -6.419
  266    HA   LEU  31           HA       LEU  31   2.852  -9.278  -8.469
  267   1HB   LEU  31           HB2      LEU  31   5.274  -9.251  -7.226
  268   2HB   LEU  31           HB1      LEU  31   4.536 -10.625  -6.385
  269    HG   LEU  31           HG       LEU  31   5.731 -11.490  -8.291
  270   1HD1  LEU  31           HD12     LEU  31   3.401 -12.397  -7.811
  271   2HD1  LEU  31           HD13     LEU  31   2.817 -11.394  -9.161
  272   3HD1  LEU  31           HD11     LEU  31   4.007 -12.679  -9.459
  273   1HD2  LEU  31           HD23     LEU  31   5.761  -9.279  -9.535
  274   2HD2  LEU  31           HD22     LEU  31   5.461 -10.708 -10.552
  275   3HD2  LEU  31           HD21     LEU  31   4.113  -9.644 -10.095
  276    H    HIS  32           H        HIS  32   2.879  -9.741  -4.878
  277    HA   HIS  32           HA       HIS  32   1.083 -12.018  -5.072
  278   1HB   HIS  32           HB2      HIS  32   2.047 -10.384  -2.696
  279   2HB   HIS  32           HB1      HIS  32   1.157 -11.916  -2.595
  280    HD1  HIS  32           HD1      HIS  32   2.581 -13.678  -4.638
  281    HD2  HIS  32           HD2      HIS  32   4.619 -11.080  -2.070
  282    HE1  HIS  32           HE1      HIS  32   4.973 -14.516  -4.434
  283    H    TYR  33           H        TYR  33   0.687  -8.870  -3.317
  284    HA   TYR  33           HA       TYR  33  -2.204  -9.273  -3.270
  285   1HB   TYR  33           HB1      TYR  33  -0.380  -7.028  -2.354
  286   2HB   TYR  33           HB2      TYR  33  -2.136  -7.013  -2.158
  287    HD1  TYR  33           HD1      TYR  33  -3.215  -8.945  -0.821
  288    HD2  TYR  33           HD2      TYR  33   0.998  -8.049  -0.736
  289    HE1  TYR  33           HE1      TYR  33  -2.995 -10.172   1.329
  290    HE2  TYR  33           HE2      TYR  33   1.211  -9.277   1.411
  291    HH   TYR  33           HH       TYR  33  -1.584 -10.843   3.003
  292    H    LYS  34           H        LYS  34  -3.759  -8.152  -4.415
  293    HA   LYS  34           HA       LYS  34  -2.824  -6.773  -6.841
  294   1HB   LYS  34           H        LYS  34  -5.100  -6.962  -7.602
  295   2HB   LYS  34           H        LYS  34  -4.646  -8.523  -6.883
  296   1HG   LYS  34           H        LYS  34  -5.780  -7.843  -4.757
  297   2HG   LYS  34           H        LYS  34  -6.279  -6.320  -5.533
  298   1HD   LYS  34           H        LYS  34  -7.375  -7.744  -7.352
  299   2HD   LYS  34           H        LYS  34  -7.088  -9.155  -6.307
  300   1HE   LYS  34           H        LYS  34  -8.617  -6.653  -5.457
  301   2HE   LYS  34           H        LYS  34  -9.384  -8.142  -6.049
  302   1HZ   LYS  34           H        LYS  34  -8.374  -9.308  -4.223
  303   2HZ   LYS  34           H        LYS  34  -7.672  -7.917  -3.668
  304   3HZ   LYS  34           H        LYS  34  -9.318  -8.066  -3.670
  305    H    PHE  35           H        PHE  35  -3.647  -4.652  -7.436
  306    HA   PHE  35           HA       PHE  35  -4.619  -2.981  -5.181
  307   1HB   PHE  35           HB2      PHE  35  -2.101  -2.541  -6.826
  308   2HB   PHE  35           HB1      PHE  35  -2.895  -1.260  -5.900
  309    HD1  PHE  35           HD2      PHE  35  -1.137  -4.532  -5.607
  310    HD2  PHE  35           HD1      PHE  35  -2.626  -1.068  -3.534
  311    HE1  PHE  35           HE2      PHE  35   0.069  -5.236  -3.559
  312    HE2  PHE  35           HE1      PHE  35  -1.432  -1.780  -1.481
  313    HZ   PHE  35           HZ       PHE  35  -0.083  -3.866  -1.489
  314    H    ASN  36           H        ASN  36  -5.094  -0.681  -6.067
  315    HA   ASN  36           HA       ASN  36  -6.847  -1.036  -8.383
  316   1HB   ASN  36           HB2      ASN  36  -7.748   0.243  -6.596
  317   2HB   ASN  36           HB1      ASN  36  -6.269   1.205  -6.426
  318   1HD2  ASN  36           HD22     ASN  36  -8.883   2.029  -9.552
  319   2HD2  ASN  36           HD21     ASN  36  -8.813   0.422  -8.865
  320    H    ASN  37           H        ASN  37  -4.202   1.295  -7.544
  321    HA   ASN  37           HA       ASN  37  -3.171   1.106 -10.287
  322   1HB   ASN  37           HB1      ASN  37  -5.108   2.838 -10.190
  323   2HB   ASN  37           HB2      ASN  37  -3.986   3.842  -9.252
  324   1HD2  ASN  37           HD22     ASN  37  -1.746   4.440 -12.025
  325   2HD2  ASN  37           HD21     ASN  37  -1.774   4.209 -10.288
  326    H    ARG  38           H        ARG  38  -1.820   0.126  -8.283
  327    HA   ARG  38           HA       ARG  38   0.032   2.245  -7.280
  328   1HB   ARG  38           H        ARG  38  -0.831  -0.470  -6.314
  329   2HB   ARG  38           H        ARG  38   0.818   0.062  -5.950
  330   1HG   ARG  38           H        ARG  38  -0.592   0.723  -4.107
  331   2HG   ARG  38           H        ARG  38  -0.131   2.192  -4.991
  332   1HD   ARG  38           H        ARG  38  -2.653   0.848  -5.868
  333   2HD   ARG  38           H        ARG  38  -2.683   1.601  -4.266
  334    HE   ARG  38           H        ARG  38  -1.555   3.375  -6.242
  335   1HH1  ARG  38           H        ARG  38  -4.592   2.054  -4.968
  336   2HH1  ARG  38           H        ARG  38  -5.543   3.449  -5.440
  337   1HH2  ARG  38           H        ARG  38  -2.856   5.115  -7.020
  338   2HH2  ARG  38           H        ARG  38  -4.557   5.184  -6.621
  339    H    THR  39           H        THR  39   2.356   1.717  -7.321
  340    HA   THR  39           HA       THR  39   3.161  -0.285  -9.350
  341    HB   THR  39           HB       THR  39   4.035   2.639  -9.455
  342    HG1  THR  39           HG1      THR  39   2.789   2.584 -11.409
  343   1HG2  THR  39           HG21     THR  39   4.501   0.257 -11.307
  344   2HG2  THR  39           HG22     THR  39   5.018   1.929 -11.630
  345   3HG2  THR  39           HG23     THR  39   5.723   1.028 -10.268
  346    H    SER  40           H        SER  40   4.591   2.448  -7.459
  347    HA   SER  40           HA       SER  40   6.030   0.659  -5.686
  348   1HB   SER  40           HB2      SER  40   7.412   1.937  -8.054
  349   2HB   SER  40           HB1      SER  40   8.290   1.732  -6.521
  350    HG   SER  40           HG       SER  40   6.878  -0.374  -7.788
  351    H    VAL  41           H        VAL  41   6.190   3.925  -7.211
  352    HA   VAL  41           HA       VAL  41   7.118   5.296  -4.918
  353    HB   VAL  41           HB       VAL  41   5.416   6.274  -7.258
  354   1HG1  VAL  41           HG13     VAL  41   7.088   7.763  -5.183
  355   2HG1  VAL  41           HG11     VAL  41   6.441   8.500  -6.668
  356   3HG1  VAL  41           HG12     VAL  41   5.328   7.886  -5.425
  357   1HG2  VAL  41           HG23     VAL  41   8.431   6.207  -6.776
  358   2HG2  VAL  41           HG21     VAL  41   7.534   5.263  -7.989
  359   3HG2  VAL  41           HG22     VAL  41   7.637   7.032  -8.138
  360    H    MET  42           H        MET  42   3.780   4.660  -6.103
  361    HA   MET  42           HA       MET  42   2.418   6.193  -4.148
  362   1HB   MET  42           HB1      MET  42   1.620   3.704  -5.714
  363   2HB   MET  42           HB2      MET  42   0.490   4.652  -4.724
  364   1HG   MET  42           HG1      MET  42   2.129   5.719  -7.058
  365   2HG   MET  42           HG2      MET  42   0.416   5.292  -7.125
  366   1HE   MET  42           HE3      MET  42  -1.472   6.492  -5.925
  367   2HE   MET  42           HE1      MET  42  -0.717   6.468  -4.314
  368   3HE   MET  42           HE2      MET  42  -1.327   7.996  -4.987
  369    H    LEU  43           H        LEU  43   3.321   2.703  -4.187
  370    HA   LEU  43           HA       LEU  43   2.160   2.023  -1.695
  371   1HB   LEU  43           HB2      LEU  43   4.576   0.896  -3.175
  372   2HB   LEU  43           HB1      LEU  43   3.813   0.118  -1.771
  373    HG   LEU  43           HG       LEU  43   2.087   0.901  -4.130
  374   1HD1  LEU  43           HD11     LEU  43   3.791  -1.616  -3.954
  375   2HD1  LEU  43           HD13     LEU  43   2.532  -1.297  -5.168
  376   3HD1  LEU  43           HD12     LEU  43   3.998  -0.296  -5.127
  377   1HD2  LEU  43           HD23     LEU  43   2.072  -1.344  -2.067
  378   2HD2  LEU  43           HD21     LEU  43   0.974   0.051  -2.142
  379   3HD2  LEU  43           HD22     LEU  43   0.903  -1.197  -3.399
  380    H    LYS  44           H        LYS  44   5.515   3.042  -2.521
  381    HA   LYS  44           HA       LYS  44   6.604   2.956   0.073
  382   1HB   LYS  44           H        LYS  44   7.950   3.208  -1.952
  383   2HB   LYS  44           H        LYS  44   7.198   4.778  -2.300
  384   1HG   LYS  44           H        LYS  44   8.174   5.753  -0.292
  385   2HG   LYS  44           H        LYS  44   8.808   4.171   0.217
  386   1HD   LYS  44           H        LYS  44  10.366   4.095  -1.592
  387   2HD   LYS  44           H        LYS  44   9.556   5.423  -2.454
  388   1HE   LYS  44           H        LYS  44  10.815   5.792   0.292
  389   2HE   LYS  44           H        LYS  44  11.736   6.007  -1.212
  390   1HZ   LYS  44           H        LYS  44  10.142   7.665  -1.875
  391   2HZ   LYS  44           H        LYS  44   9.303   7.478  -0.467
  392   3HZ   LYS  44           H        LYS  44  10.842   8.069  -0.437
  393    H    ASP  45           H        ASP  45   5.184   5.764  -1.687
  394    HA   ASP  45           HA       ASP  45   5.455   7.694   0.312
  395   1HB   ASP  45           H        ASP  45   4.805   8.384  -1.861
  396   2HB   ASP  45           H        ASP  45   3.437   7.253  -1.909
  397    H    ARG  46           H        ARG  46   2.455   5.808  -0.405
  398    HA   ARG  46           HA       ARG  46   0.986   6.761   1.780
  399   1HB   ARG  46           H        ARG  46   0.844   4.128   0.270
  400   2HB   ARG  46           H        ARG  46  -0.382   4.664   1.440
  401   1HG   ARG  46           H        ARG  46   0.458   6.223  -1.051
  402   2HG   ARG  46           H        ARG  46  -1.004   5.231  -0.908
  403   1HD   ARG  46           H        ARG  46  -1.516   6.703   1.195
  404   2HD   ARG  46           H        ARG  46  -0.339   7.832   0.490
  405    HE   ARG  46           H        ARG  46  -3.037   7.252  -0.459
  406   1HH1  ARG  46           H        ARG  46   0.188   8.489  -1.333
  407   2HH1  ARG  46           H        ARG  46  -0.396   9.340  -2.749
  408   1HH2  ARG  46           H        ARG  46  -3.782   8.452  -2.275
  409   2HH2  ARG  46           H        ARG  46  -2.658   9.366  -3.251
  410    H    TRP  47           H        TRP  47   3.238   3.936   1.644
  411    HA   TRP  47           HA       TRP  47   2.536   2.931   4.206
  412   1HB   TRP  47           HB2      TRP  47   3.886   1.679   2.574
  413   2HB   TRP  47           HB1      TRP  47   5.206   2.837   2.772
  414    HD1  TRP  47           HD1      TRP  47   7.032   1.664   4.036
  415    HE1  TRP  47           HE1      TRP  47   7.275   0.203   6.147
  416    HE3  TRP  47           HE3      TRP  47   2.076   1.159   5.277
  417    HZ2  TRP  47           HZ2      TRP  47   5.572  -1.018   8.066
  418    HZ3  TRP  47           HZ3      TRP  47   1.437  -0.162   7.266
  419    HH2  TRP  47           HH2      TRP  47   3.172  -1.260   8.660
  420    H    ARG  48           H        ARG  48   5.118   5.252   3.211
  421    HA   ARG  48           HA       ARG  48   6.137   5.683   5.828
  422   1HB   ARG  48           H        ARG  48   6.087   7.426   3.336
  423   2HB   ARG  48           H        ARG  48   6.961   7.865   4.823
  424   1HG   ARG  48           H        ARG  48   8.190   5.673   4.688
  425   2HG   ARG  48           H        ARG  48   7.393   5.362   3.132
  426   1HD   ARG  48           H        ARG  48   9.510   6.307   2.569
  427   2HD   ARG  48           H        ARG  48   8.333   7.618   2.354
  428    HE   ARG  48           H        ARG  48   9.321   8.784   4.099
  429   1HH1  ARG  48           H        ARG  48  10.373   5.398   4.189
  430   2HH1  ARG  48           H        ARG  48  11.643   5.683   5.354
  431   1HH2  ARG  48           H        ARG  48  10.976   9.141   5.668
  432   2HH2  ARG  48           H        ARG  48  11.965   7.810   6.221
  433    H    THR  49           H        THR  49   3.485   7.292   3.996
  434    HA   THR  49           HA       THR  49   2.923   9.329   5.878
  435    HB   THR  49           HB       THR  49   0.906   7.834   4.153
  436    HG1  THR  49           HG1      THR  49   2.725   9.921   3.529
  437   1HG2  THR  49           HG21     THR  49   1.060  10.697   5.198
  438   2HG2  THR  49           HG22     THR  49  -0.193  10.067   4.102
  439   3HG2  THR  49           HG23     THR  49  -0.062   9.433   5.759
  440    H    MET  50           H        MET  50   1.673   5.959   5.599
  441    HA   MET  50           HA       MET  50  -0.111   6.110   7.807
  442   1HB   MET  50           HB2      MET  50   0.091   4.348   5.918
  443   2HB   MET  50           HB1      MET  50   1.362   3.604   6.912
  444   1HG   MET  50           HG1      MET  50  -1.343   4.290   8.089
  445   2HG   MET  50           HG2      MET  50  -1.113   2.797   7.169
  446   1HE   MET  50           HE3      MET  50  -2.109   1.610   9.332
  447   2HE   MET  50           HE2      MET  50  -1.364   1.699  10.946
  448   3HE   MET  50           HE1      MET  50  -2.135   3.139  10.242
  449    H    LYS  51           H        LYS  51   3.336   5.090   7.561
  450    HA   LYS  51           HA       LYS  51   3.677   4.192  10.208
  451   1HB   LYS  51           H        LYS  51   5.604   5.514   8.259
  452   2HB   LYS  51           H        LYS  51   6.105   4.803   9.807
  453   1HG   LYS  51           H        LYS  51   4.401   2.915   8.426
  454   2HG   LYS  51           H        LYS  51   5.666   3.465   7.306
  455   1HD   LYS  51           H        LYS  51   6.274   2.551  10.148
  456   2HD   LYS  51           H        LYS  51   6.255   1.439   8.761
  457   1HE   LYS  51           H        LYS  51   7.937   2.900   7.611
  458   2HE   LYS  51           H        LYS  51   8.022   3.906   9.074
  459   1HZ   LYS  51           H        LYS  51   8.624   1.031   8.965
  460   2HZ   LYS  51           H        LYS  51   9.754   2.235   8.958
  461   3HZ   LYS  51           H        LYS  51   8.790   2.020  10.280
  462    H    LYS  52           H        LYS  52   4.197   7.526   8.855
  463    HA   LYS  52           HA       LYS  52   4.830   8.553  11.511
  464   1HB   LYS  52           H        LYS  52   5.091  10.681  10.420
  465   2HB   LYS  52           H        LYS  52   5.825   9.442   9.385
  466   1HG   LYS  52           H        LYS  52   4.318   9.768   7.703
  467   2HG   LYS  52           H        LYS  52   2.952   9.970   8.810
  468   1HD   LYS  52           H        LYS  52   5.097  12.098   8.484
  469   2HD   LYS  52           H        LYS  52   3.657  12.041   7.443
  470   1HE   LYS  52           H        LYS  52   3.500  12.095  10.488
  471   2HE   LYS  52           H        LYS  52   3.484  13.562   9.495
  472   1HZ   LYS  52           H        LYS  52   1.566  11.361   9.154
  473   2HZ   LYS  52           H        LYS  52   1.286  12.675  10.109
  474   3HZ   LYS  52           H        LYS  52   1.506  12.868   8.485
  475    H    LEU  53           H        LEU  53   1.917   7.706   9.991
  476    HA   LEU  53           HA       LEU  53  -0.268   8.074  10.483
  477   1HB   LEU  53           HB2      LEU  53   0.649   7.754  12.851
  478   2HB   LEU  53           HB1      LEU  53   0.653   9.524  12.996
  479    HG   LEU  53           HG       LEU  53  -1.843   9.362  12.205
  480   1HD1  LEU  53           HD11     LEU  53  -1.322   6.529  13.222
  481   2HD1  LEU  53           HD12     LEU  53  -2.930   7.227  12.912
  482   3HD1  LEU  53           HD13     LEU  53  -1.794   6.977  11.567
  483   1HD2  LEU  53           HD21     LEU  53  -0.955   8.360  14.946
  484   2HD2  LEU  53           HD22     LEU  53  -1.134  10.063  14.461
  485   3HD2  LEU  53           HD23     LEU  53  -2.565   9.011  14.558
   
  No H/Q in entry =         485
  Start of MODEL    2
    1   1H    ARG   1           H3       ARG   1 -16.494  12.654   6.142
    2   2H    ARG   1           H2       ARG   1 -15.157  13.468   5.623
    3   3H    ARG   1           H1       ARG   1 -16.266  14.228   6.577
    4    HA   ARG   1           HA       ARG   1 -17.929  14.081   4.895
    5   1HB   ARG   1           H        ARG   1 -16.180  15.997   5.027
    6   2HB   ARG   1           H        ARG   1 -15.428  15.230   3.612
    7   1HG   ARG   1           H        ARG   1 -16.892  16.711   2.566
    8   2HG   ARG   1           H        ARG   1 -17.917  15.263   2.667
    9   1HD   ARG   1           H        ARG   1 -19.240  17.134   3.441
   10   2HD   ARG   1           H        ARG   1 -18.823  16.157   4.861
   11    HE   ARG   1           H        ARG   1 -17.544  17.907   5.692
   12   1HH1  ARG   1           H        ARG   1 -18.296  18.496   2.274
   13   2HH1  ARG   1           H        ARG   1 -17.730  20.149   2.297
   14   1HH2  ARG   1           H        ARG   1 -16.799  20.087   5.706
   15   2HH2  ARG   1           H        ARG   1 -16.855  21.047   4.246
   16    H    LYS   2           H        LYS   2 -14.726  13.260   3.425
   17    HA   LYS   2           HA       LYS   2 -15.359  10.730   2.445
   18   1HB   LYS   2           H        LYS   2 -15.678  11.286  -0.025
   19   2HB   LYS   2           H        LYS   2 -17.084  11.561   1.012
   20   1HG   LYS   2           H        LYS   2 -16.412  14.006   1.159
   21   2HG   LYS   2           H        LYS   2 -15.117  13.661  -0.006
   22   1HD   LYS   2           H        LYS   2 -16.723  14.275  -1.525
   23   2HD   LYS   2           H        LYS   2 -17.222  12.578  -1.346
   24   1HE   LYS   2           H        LYS   2 -18.345  14.927   0.253
   25   2HE   LYS   2           H        LYS   2 -19.137  14.173  -1.145
   26   1HZ   LYS   2           H        LYS   2 -19.156  12.106   0.102
   27   2HZ   LYS   2           H        LYS   2 -18.518  12.871   1.420
   28   3HZ   LYS   2           H        LYS   2 -20.013  13.295   0.857
   29    H    ARG   3           H        ARG   3 -13.641   9.883   1.106
   30    HA   ARG   3           HA       ARG   3 -11.503  11.647   0.230
   31   1HB   ARG   3           H        ARG   3 -11.203  11.365   2.784
   32   2HB   ARG   3           H        ARG   3 -10.829   9.663   2.439
   33   1HG   ARG   3           H        ARG   3  -8.701  10.667   2.425
   34   2HG   ARG   3           H        ARG   3  -9.120  10.654   0.698
   35   1HD   ARG   3           H        ARG   3  -9.926  12.993   0.874
   36   2HD   ARG   3           H        ARG   3  -9.525  13.008   2.602
   37    HE   ARG   3           H        ARG   3  -7.684  13.256   0.341
   38   1HH1  ARG   3           H        ARG   3  -8.003  12.338   3.752
   39   2HH1  ARG   3           H        ARG   3  -6.344  12.718   4.148
   40   1HH2  ARG   3           H        ARG   3  -5.498  13.755   0.876
   41   2HH2  ARG   3           H        ARG   3  -4.909  13.500   2.502
   42    H    GLN   4           H        GLN   4 -12.709  10.317  -1.550
   43    HA   GLN   4           HA       GLN   4 -12.085   7.520  -1.798
   44   1HB   GLN   4           HB1      GLN   4 -13.984   8.683  -2.939
   45   2HB   GLN   4           HB2      GLN   4 -12.810   9.561  -3.948
   46   1HG   GLN   4           HG1      GLN   4 -11.947   7.408  -4.821
   47   2HG   GLN   4           HG2      GLN   4 -13.097   6.525  -3.796
   48   1HE2  GLN   4           HE22     GLN   4 -14.625   6.690  -7.171
   49   2HE2  GLN   4           HE21     GLN   4 -13.223   5.955  -6.425
   50    H    ALA   5           H        ALA   5  -9.942   6.990  -1.681
   51    HA   ALA   5           HA       ALA   5  -8.223   7.865  -3.895
   52   1HB   ALA   5           HB3      ALA   5  -7.491   8.381  -0.979
   53   2HB   ALA   5           HB2      ALA   5  -6.395   8.574  -2.369
   54   3HB   ALA   5           HB1      ALA   5  -7.827   9.620  -2.213
   55    H    TRP   6           H        TRP   6  -8.372   6.114  -0.736
   56    HA   TRP   6           HA       TRP   6  -7.116   3.770  -2.079
   57   1HB   TRP   6           HB2      TRP   6  -6.207   5.314   0.303
   58   2HB   TRP   6           HB1      TRP   6  -6.150   3.550   0.433
   59    HD1  TRP   6           HD1      TRP   6  -4.925   6.242  -2.051
   60    HE1  TRP   6           HE1      TRP   6  -2.622   5.557  -2.981
   61    HE3  TRP   6           HE3      TRP   6  -4.440   1.718   0.281
   62    HZ2  TRP   6           HZ2      TRP   6  -0.825   3.347  -2.730
   63    HZ3  TRP   6           HZ3      TRP   6  -2.408   0.352  -0.085
   64    HH2  TRP   6           HH2      TRP   6  -0.601   1.154  -1.587
   65    H    LEU   7           H        LEU   7  -7.976   1.805  -1.544
   66    HA   LEU   7           HA       LEU   7 -10.473   1.871   0.012
   67   1HB   LEU   7           HB2      LEU   7  -9.066  -0.374  -1.496
   68   2HB   LEU   7           HB1      LEU   7 -10.695  -0.465  -0.798
   69    HG   LEU   7           HG       LEU   7  -9.881   1.599  -2.897
   70   1HD1  LEU   7           HD13     LEU   7  -9.681  -0.696  -3.809
   71   2HD1  LEU   7           HD12     LEU   7 -11.325  -1.066  -3.239
   72   3HD1  LEU   7           HD11     LEU   7 -11.078   0.154  -4.511
   73   1HD2  LEU   7           HD22     LEU   7 -12.544   0.659  -1.744
   74   2HD2  LEU   7           HD23     LEU   7 -11.830   2.284  -1.619
   75   3HD2  LEU   7           HD21     LEU   7 -12.399   1.684  -3.191
   76    H    TRP   8           H        TRP   8 -10.893   0.462   1.797
   77    HA   TRP   8           HA       TRP   8  -8.860   0.352   3.756
   78   1HB   TRP   8           HB1      TRP   8 -10.468  -0.586   5.118
   79   2HB   TRP   8           HB2      TRP   8 -11.474   0.230   3.915
   80    HD1  TRP   8           HD1      TRP   8 -11.088  -2.957   5.613
   81    HE1  TRP   8           HE1      TRP   8 -12.443  -4.856   4.522
   82    HE3  TRP   8           HE3      TRP   8 -12.223  -0.698   1.155
   83    HZ2  TRP   8           HZ2      TRP   8 -13.802  -5.330   2.059
   84    HZ3  TRP   8           HZ3      TRP   8 -13.544  -1.917  -0.543
   85    HH2  TRP   8           HH2      TRP   8 -14.335  -4.228  -0.104
   86    H    GLU   9           H        GLU   9  -9.950  -2.013   1.317
   87    HA   GLU   9           HA       GLU   9  -8.532  -4.263   2.344
   88   1HB   GLU   9           H        GLU   9 -10.381  -4.232   0.585
   89   2HB   GLU   9           H        GLU   9  -9.160  -3.652  -0.572
   90   1HG   GLU   9           H        GLU   9  -7.824  -5.772   0.506
   91   2HG   GLU   9           H        GLU   9  -9.494  -6.347   0.679
   92    H    GLU  10           H        GLU  10  -7.701  -1.818  -0.179
   93    HA   GLU  10           HA       GLU  10  -5.135  -2.803  -0.813
   94   1HB   GLU  10           H        GLU  10  -6.279   0.021  -0.829
   95   2HB   GLU  10           H        GLU  10  -4.719  -0.425  -1.558
   96   1HG   GLU  10           H        GLU  10  -5.832  -2.032  -3.042
   97   2HG   GLU  10           H        GLU  10  -7.399  -1.688  -2.284
   98    H    ASP  11           H        ASP  11  -6.206  -0.480   1.717
   99    HA   ASP  11           HA       ASP  11  -3.634   0.218   2.677
  100   1HB   ASP  11           H        ASP  11  -5.859   1.306   3.208
  101   2HB   ASP  11           H        ASP  11  -6.196  -0.055   4.298
  102    H    LYS  12           H        LYS  12  -5.875  -2.445   3.609
  103    HA   LYS  12           HA       LYS  12  -4.244  -3.526   5.688
  104   1HB   LYS  12           H        LYS  12  -6.700  -3.987   5.201
  105   2HB   LYS  12           H        LYS  12  -6.162  -5.034   3.867
  106   1HG   LYS  12           H        LYS  12  -4.703  -6.245   5.620
  107   2HG   LYS  12           H        LYS  12  -5.647  -5.370   6.847
  108   1HD   LYS  12           H        LYS  12  -6.773  -7.222   4.691
  109   2HD   LYS  12           H        LYS  12  -6.607  -7.612   6.420
  110   1HE   LYS  12           H        LYS  12  -8.102  -5.635   6.934
  111   2HE   LYS  12           H        LYS  12  -8.374  -5.450   5.187
  112   1HZ   LYS  12           H        LYS  12  -9.263  -7.665   5.154
  113   2HZ   LYS  12           H        LYS  12  -9.013  -7.838   6.774
  114   3HZ   LYS  12           H        LYS  12 -10.097  -6.725   6.223
  115    H    ASN  13           H        ASN  13  -4.536  -4.309   2.186
  116    HA   ASN  13           HA       ASN  13  -2.735  -6.471   2.086
  117   1HB   ASN  13           HB2      ASN  13  -3.385  -4.326   0.019
  118   2HB   ASN  13           HB1      ASN  13  -2.503  -5.821  -0.333
  119   1HD2  ASN  13           HD21     ASN  13  -6.105  -6.351  -1.232
  120   2HD2  ASN  13           HD22     ASN  13  -4.726  -5.422  -1.807
  121    H    LEU  14           H        LEU  14  -2.173  -2.943   1.802
  122    HA   LEU  14           HA       LEU  14   0.608  -3.111   1.189
  123   1HB   LEU  14           HB2      LEU  14  -0.792  -1.109   0.789
  124   2HB   LEU  14           HB1      LEU  14  -1.034  -0.919   2.538
  125    HG   LEU  14           HG       LEU  14   1.536  -0.757   2.727
  126   1HD1  LEU  14           HD13     LEU  14   1.192  -0.365  -0.280
  127   2HD1  LEU  14           HD12     LEU  14   2.669   0.017   0.634
  128   3HD1  LEU  14           HD11     LEU  14   2.110  -1.666   0.512
  129   1HD2  LEU  14           HD22     LEU  14  -0.031   1.350   1.181
  130   2HD2  LEU  14           HD21     LEU  14   0.056   1.188   2.951
  131   3HD2  LEU  14           HD23     LEU  14   1.507   1.637   2.026
  132    H    ARG  15           H        ARG  15  -1.153  -2.568   4.280
  133    HA   ARG  15           HA       ARG  15   1.132  -2.303   5.908
  134   1HB   ARG  15           H        ARG  15  -1.210  -1.709   6.490
  135   2HB   ARG  15           H        ARG  15  -1.600  -3.435   6.631
  136   1HG   ARG  15           H        ARG  15  -0.039  -3.711   8.462
  137   2HG   ARG  15           H        ARG  15   0.612  -2.073   8.228
  138   1HD   ARG  15           H        ARG  15  -2.278  -2.689   8.987
  139   2HD   ARG  15           H        ARG  15  -1.010  -2.253  10.143
  140    HE   ARG  15           H        ARG  15  -0.967  -0.037   9.306
  141   1HH1  ARG  15           H        ARG  15  -3.400  -2.041   7.642
  142   2HH1  ARG  15           H        ARG  15  -4.213  -0.663   6.921
  143   1HH2  ARG  15           H        ARG  15  -2.090   1.744   8.354
  144   2HH2  ARG  15           H        ARG  15  -3.455   1.455   7.287
  145    H    SER  16           H        SER  16  -0.899  -5.251   5.340
  146    HA   SER  16           HA       SER  16   0.758  -6.972   6.894
  147   1HB   SER  16           HB2      SER  16  -0.448  -8.794   5.676
  148   2HB   SER  16           HB1      SER  16  -1.539  -7.563   6.355
  149    HG   SER  16           HG       SER  16  -1.721  -6.649   4.315
  150    H    GLY  17           H        GLY  17   0.686  -6.262   3.363
  151   1HA   GLY  17           HA1      GLY  17   2.626  -8.161   2.581
  152   2HA   GLY  17           HA2      GLY  17   2.230  -6.662   1.715
  153    H    VAL  18           H        VAL  18   3.083  -4.618   3.174
  154    HA   VAL  18           HA       VAL  18   5.895  -4.653   2.872
  155    HB   VAL  18           HB       VAL  18   4.054  -2.806   4.452
  156   1HG1  VAL  18           HG13     VAL  18   7.025  -2.712   3.857
  157   2HG1  VAL  18           HG11     VAL  18   6.091  -1.226   4.125
  158   3HG1  VAL  18           HG12     VAL  18   6.201  -2.451   5.411
  159   1HG2  VAL  18           HG21     VAL  18   3.747  -2.947   1.948
  160   2HG2  VAL  18           HG23     VAL  18   4.300  -1.349   2.498
  161   3HG2  VAL  18           HG22     VAL  18   5.452  -2.482   1.755
  162    H    ARG  19           H        ARG  19   3.829  -5.255   5.749
  163    HA   ARG  19           HA       ARG  19   5.962  -5.277   7.647
  164   1HB   ARG  19           H        ARG  19   3.661  -5.064   8.365
  165   2HB   ARG  19           H        ARG  19   3.218  -6.596   7.585
  166   1HG   ARG  19           H        ARG  19   3.452  -6.922  10.005
  167   2HG   ARG  19           H        ARG  19   4.724  -7.822   9.153
  168   1HD   ARG  19           H        ARG  19   6.365  -6.099   9.662
  169   2HD   ARG  19           H        ARG  19   5.105  -5.032  10.326
  170    HE   ARG  19           H        ARG  19   5.027  -7.483  11.751
  171   1HH1  ARG  19           H        ARG  19   7.190  -4.730  11.238
  172   2HH1  ARG  19           H        ARG  19   7.923  -4.833  12.821
  173   1HH2  ARG  19           H        ARG  19   6.005  -7.626  13.838
  174   2HH2  ARG  19           H        ARG  19   7.251  -6.490  14.303
  175    H    LYS  20           H        LYS  20   4.509  -7.818   5.563
  176    HA   LYS  20           HA       LYS  20   6.003  -9.979   6.751
  177   1HB   LYS  20           H        LYS  20   3.813 -10.186   5.539
  178   2HB   LYS  20           H        LYS  20   4.661  -9.814   4.023
  179   1HG   LYS  20           H        LYS  20   6.173 -11.787   4.448
  180   2HG   LYS  20           H        LYS  20   5.196 -12.173   5.883
  181   1HD   LYS  20           H        LYS  20   4.301 -13.546   4.159
  182   2HD   LYS  20           H        LYS  20   3.159 -12.186   4.285
  183   1HE   LYS  20           H        LYS  20   4.166 -11.091   2.354
  184   2HE   LYS  20           H        LYS  20   5.473 -12.291   2.299
  185   1HZ   LYS  20           H        LYS  20   3.827 -13.955   1.806
  186   2HZ   LYS  20           H        LYS  20   2.622 -12.829   1.841
  187   3HZ   LYS  20           H        LYS  20   3.794 -12.749   0.680
  188    H    TYR  21           H        TYR  21   6.272  -8.410   3.487
  189    HA   TYR  21           HA       TYR  21   8.736  -9.759   2.880
  190   1HB   TYR  21           HB2      TYR  21   7.400  -7.314   1.667
  191   2HB   TYR  21           HB1      TYR  21   8.799  -8.147   0.969
  192    HD1  TYR  21           HD1      TYR  21   8.458 -10.809   0.709
  193    HD2  TYR  21           HD2      TYR  21   5.291  -7.892   0.841
  194    HE1  TYR  21           HE1      TYR  21   6.938 -12.399  -0.447
  195    HE2  TYR  21           HE2      TYR  21   3.785  -9.477  -0.325
  196    HH   TYR  21           HH       TYR  21   3.637 -11.498  -1.443
  197    H    GLY  22           H        GLY  22   7.937  -6.507   4.142
  198   1HA   GLY  22           HA1      GLY  22   9.521  -5.545   5.758
  199   2HA   GLY  22           HA2      GLY  22  10.846  -6.097   4.712
  200    H    GLU  23           H        GLU  23  10.094  -3.332   5.638
  201    HA   GLU  23           HA       GLU  23   8.969  -1.850   3.491
  202   1HB   GLU  23           H        GLU  23   9.300  -1.043   5.838
  203   2HB   GLU  23           H        GLU  23  11.051  -0.954   5.528
  204   1HG   GLU  23           H        GLU  23  10.734   0.706   3.794
  205   2HG   GLU  23           H        GLU  23   8.972   0.485   3.826
  206    H    GLY  24           H        GLY  24   9.732  -1.389   1.524
  207   1HA   GLY  24           HA1      GLY  24  11.834  -0.526   0.343
  208   2HA   GLY  24           HA2      GLY  24  12.591  -2.025   0.934
  209    H    ASN  25           H        ASN  25  10.150  -3.636   0.690
  210    HA   ASN  25           HA       ASN  25  10.344  -4.299  -2.150
  211   1HB   ASN  25           HB1      ASN  25   8.643  -5.427   0.121
  212   2HB   ASN  25           HB2      ASN  25   8.783  -6.131  -1.502
  213   1HD2  ASN  25           HD21     ASN  25  11.801  -6.590   1.285
  214   2HD2  ASN  25           HD22     ASN  25  10.477  -5.476   1.551
  215    H    TRP  26           H        TRP  26   8.898  -3.705  -3.732
  216    HA   TRP  26           HA       TRP  26   6.276  -2.571  -2.883
  217   1HB   TRP  26           HB2      TRP  26   7.958  -1.332  -5.078
  218   2HB   TRP  26           HB1      TRP  26   6.501  -0.688  -4.314
  219    HD1  TRP  26           HD1      TRP  26  10.038  -0.161  -4.363
  220    HE1  TRP  26           HE1      TRP  26  10.946   1.072  -2.295
  221    HE3  TRP  26           HE3      TRP  26   5.985  -0.678  -1.270
  222    HZ2  TRP  26           HZ2      TRP  26  10.045   1.723   0.333
  223    HZ3  TRP  26           HZ3      TRP  26   6.056   0.270   1.020
  224    HH2  TRP  26           HH2      TRP  26   8.077   1.467   1.826
  225    H    SER  27           H        SER  27   8.223  -3.308  -5.846
  226    HA   SER  27           HA       SER  27   5.989  -4.107  -7.418
  227   1HB   SER  27           HB1      SER  27   8.197  -3.475  -8.345
  228   2HB   SER  27           HB2      SER  27   8.923  -4.923  -7.608
  229    HG   SER  27           HG       SER  27   8.325  -5.244  -9.802
  230    H    LYS  28           H        LYS  28   8.385  -5.994  -5.505
  231    HA   LYS  28           HA       LYS  28   7.496  -8.578  -6.023
  232   1HB   LYS  28           H        LYS  28   9.518  -8.135  -4.762
  233   2HB   LYS  28           H        LYS  28   8.606  -7.297  -3.490
  234   1HG   LYS  28           H        LYS  28   9.219  -9.569  -2.762
  235   2HG   LYS  28           H        LYS  28   7.454  -9.426  -2.909
  236   1HD   LYS  28           H        LYS  28   7.459 -10.603  -5.024
  237   2HD   LYS  28           H        LYS  28   9.235 -10.524  -5.129
  238   1HE   LYS  28           H        LYS  28   9.468 -11.989  -3.198
  239   2HE   LYS  28           H        LYS  28   7.715 -11.957  -2.909
  240   1HZ   LYS  28           H        LYS  28   8.966 -13.014  -5.344
  241   2HZ   LYS  28           H        LYS  28   8.494 -13.937  -4.063
  242   3HZ   LYS  28           H        LYS  28   7.367 -13.095  -4.930
  243    H    ILE  29           H        ILE  29   6.230  -6.191  -3.654
  244    HA   ILE  29           HA       ILE  29   4.337  -7.967  -2.459
  245    HB   ILE  29           HB       ILE  29   4.133  -4.936  -2.674
  246   1HG1  ILE  29           HG11     ILE  29   5.887  -6.702  -0.928
  247   2HG1  ILE  29           HG12     ILE  29   6.362  -5.304  -1.909
  248   1HG2  ILE  29           HG21     ILE  29   2.201  -6.303  -1.744
  249   2HG2  ILE  29           HG23     ILE  29   3.295  -6.851  -0.454
  250   3HG2  ILE  29           HG22     ILE  29   2.886  -5.125  -0.609
  251   1HD1  ILE  29           HD12     ILE  29   4.958  -3.846  -0.409
  252   2HD1  ILE  29           HD11     ILE  29   4.687  -5.263   0.634
  253   3HD1  ILE  29           HD13     ILE  29   6.328  -4.623   0.420
  254    H    LEU  30           H        LEU  30   4.021  -5.434  -5.016
  255    HA   LEU  30           HA       LEU  30   1.257  -5.746  -5.460
  256   1HB   LEU  30           HB1      LEU  30   2.731  -3.886  -6.273
  257   2HB   LEU  30           HB2      LEU  30   3.388  -4.993  -7.500
  258    HG   LEU  30           HG       LEU  30   0.432  -4.975  -7.438
  259   1HD1  LEU  30           HD13     LEU  30   1.938  -2.412  -8.122
  260   2HD1  LEU  30           HD11     LEU  30   0.225  -2.724  -8.494
  261   3HD1  LEU  30           HD12     LEU  30   0.764  -2.626  -6.800
  262   1HD2  LEU  30           HD22     LEU  30   1.820  -5.985  -9.236
  263   2HD2  LEU  30           HD21     LEU  30   0.764  -4.703  -9.873
  264   3HD2  LEU  30           HD23     LEU  30   2.494  -4.381  -9.610
  265    H    LEU  31           H        LEU  31   4.018  -7.636  -6.704
  266    HA   LEU  31           HA       LEU  31   2.605  -8.975  -8.791
  267   1HB   LEU  31           HB2      LEU  31   5.213  -9.135  -7.431
  268   2HB   LEU  31           HB1      LEU  31   4.595 -10.736  -7.878
  269    HG   LEU  31           HG       LEU  31   6.017  -9.714  -9.654
  270   1HD1  LEU  31           HD12     LEU  31   4.160 -11.335 -10.180
  271   2HD1  LEU  31           HD11     LEU  31   3.106  -9.948 -10.534
  272   3HD1  LEU  31           HD13     LEU  31   4.558 -10.232 -11.516
  273   1HD2  LEU  31           HD23     LEU  31   5.290  -7.336  -9.165
  274   2HD2  LEU  31           HD21     LEU  31   5.314  -7.772 -10.887
  275   3HD2  LEU  31           HD22     LEU  31   3.769  -7.690 -10.012
  276    H    HIS  32           H        HIS  32   2.245  -9.234  -5.370
  277    HA   HIS  32           HA       HIS  32   1.009 -11.943  -5.695
  278   1HB   HIS  32           HB2      HIS  32   2.451 -10.739  -3.302
  279   2HB   HIS  32           HB1      HIS  32   1.612 -12.303  -3.308
  280    HD1  HIS  32           HD1      HIS  32   2.542 -13.722  -5.763
  281    HD2  HIS  32           HD2      HIS  32   5.126 -11.291  -3.541
  282    HE1  HIS  32           HE1      HIS  32   4.924 -14.439  -6.294
  283    H    TYR  33           H        TYR  33   0.947  -9.010  -3.575
  284    HA   TYR  33           HA       TYR  33  -1.742  -9.567  -2.677
  285   1HB   TYR  33           HB2      TYR  33   0.227  -7.305  -2.414
  286   2HB   TYR  33           HB1      TYR  33  -1.463  -7.048  -1.958
  287    HD1  TYR  33           HD2      TYR  33   1.635  -8.921  -1.163
  288    HD2  TYR  33           HD1      TYR  33  -2.434  -8.111  -0.009
  289    HE1  TYR  33           HE2      TYR  33   2.048  -9.967   1.055
  290    HE2  TYR  33           HE1      TYR  33  -2.014  -9.148   2.204
  291    HH   TYR  33           HH       TYR  33  -0.468 -10.108   3.592
  292    H    LYS  34           H        LYS  34  -3.636  -8.348  -3.100
  293    HA   LYS  34           HA       LYS  34  -3.931  -7.644  -5.906
  294   1HB   LYS  34           H        LYS  34  -5.638  -8.911  -4.626
  295   2HB   LYS  34           H        LYS  34  -5.880  -7.511  -3.560
  296   1HG   LYS  34           H        LYS  34  -6.152  -7.187  -6.565
  297   2HG   LYS  34           H        LYS  34  -7.481  -7.906  -5.632
  298   1HD   LYS  34           H        LYS  34  -6.933  -5.719  -4.070
  299   2HD   LYS  34           H        LYS  34  -6.484  -5.090  -5.672
  300   1HE   LYS  34           H        LYS  34  -8.801  -4.583  -5.399
  301   2HE   LYS  34           H        LYS  34  -8.733  -5.964  -6.514
  302   1HZ   LYS  34           H        LYS  34  -9.154  -7.386  -4.592
  303   2HZ   LYS  34           H        LYS  34  -9.332  -6.055  -3.631
  304   3HZ   LYS  34           H        LYS  34 -10.384  -6.328  -4.873
  305    H    PHE  35           H        PHE  35  -3.805  -5.656  -6.780
  306    HA   PHE  35           HA       PHE  35  -4.362  -3.262  -5.163
  307   1HB   PHE  35           HB2      PHE  35  -1.650  -4.007  -6.278
  308   2HB   PHE  35           HB1      PHE  35  -2.132  -2.309  -6.158
  309    HD1  PHE  35           HD1      PHE  35  -3.095  -1.569  -3.797
  310    HD2  PHE  35           HD2      PHE  35  -0.558  -4.984  -4.458
  311    HE1  PHE  35           HE1      PHE  35  -2.402  -1.521  -1.416
  312    HE2  PHE  35           HE2      PHE  35   0.135  -4.926  -2.076
  313    HZ   PHE  35           HZ       PHE  35  -0.789  -3.195  -0.564
  314    H    ASN  36           H        ASN  36  -4.594  -1.347  -6.504
  315    HA   ASN  36           HA       ASN  36  -5.493  -2.029  -9.235
  316   1HB   ASN  36           HB2      ASN  36  -6.922  -0.732  -7.609
  317   2HB   ASN  36           HB1      ASN  36  -5.731   0.581  -7.674
  318   1HD2  ASN  36           HD21     ASN  36  -8.053   1.797 -10.140
  319   2HD2  ASN  36           HD22     ASN  36  -7.671   1.826  -8.433
  320    H    ASN  37           H        ASN  37  -4.731   1.226  -9.250
  321    HA   ASN  37           HA       ASN  37  -2.300   0.732 -10.849
  322   1HB   ASN  37           HB1      ASN  37  -2.628   3.042 -11.582
  323   2HB   ASN  37           HB2      ASN  37  -4.153   2.144 -11.720
  324   1HD2  ASN  37           HD22     ASN  37  -4.342   5.601  -9.877
  325   2HD2  ASN  37           HD21     ASN  37  -3.301   5.121 -11.198
  326    H    ARG  38           H        ARG  38  -1.826   0.168  -8.168
  327    HA   ARG  38           HA       ARG  38  -0.639   2.598  -6.967
  328   1HB   ARG  38           H        ARG  38  -1.249  -0.208  -6.003
  329   2HB   ARG  38           H        ARG  38  -0.123   0.838  -5.110
  330   1HG   ARG  38           H        ARG  38  -2.397   1.067  -4.201
  331   2HG   ARG  38           H        ARG  38  -1.876   2.594  -4.949
  332   1HD   ARG  38           H        ARG  38  -3.267   2.272  -6.844
  333   2HD   ARG  38           H        ARG  38  -3.445   0.536  -6.524
  334    HE   ARG  38           H        ARG  38  -5.158   0.973  -5.030
  335   1HH1  ARG  38           H        ARG  38  -3.459   3.988  -5.831
  336   2HH1  ARG  38           H        ARG  38  -4.660   5.011  -5.081
  337   1HH2  ARG  38           H        ARG  38  -6.712   2.326  -4.033
  338   2HH2  ARG  38           H        ARG  38  -6.563   4.075  -4.148
  339    H    THR  39           H        THR  39   1.059   2.927  -8.494
  340    HA   THR  39           HA       THR  39   2.994   0.872  -9.072
  341    HB   THR  39           HB       THR  39   2.591   2.792 -10.571
  342    HG1  THR  39           HG1      THR  39   4.764   3.254 -10.917
  343   1HG2  THR  39           HG21     THR  39   3.768   4.432  -8.286
  344   2HG2  THR  39           HG22     THR  39   3.473   5.041  -9.927
  345   3HG2  THR  39           HG23     THR  39   2.108   4.533  -8.908
  346    H    SER  40           H        SER  40   5.437   1.469  -8.567
  347    HA   SER  40           HA       SER  40   5.920   0.899  -5.888
  348   1HB   SER  40           HB1      SER  40   7.752   2.403  -7.798
  349   2HB   SER  40           HB2      SER  40   8.243   1.444  -6.381
  350    HG   SER  40           HG       SER  40   7.185  -0.358  -7.445
  351    H    VAL  41           H        VAL  41   5.683   4.100  -7.475
  352    HA   VAL  41           HA       VAL  41   6.650   5.639  -5.279
  353    HB   VAL  41           HB       VAL  41   4.678   6.391  -7.483
  354   1HG1  VAL  41           HG12     VAL  41   6.429   8.067  -5.629
  355   2HG1  VAL  41           HG11     VAL  41   5.530   8.702  -7.027
  356   3HG1  VAL  41           HG13     VAL  41   4.650   8.014  -5.644
  357   1HG2  VAL  41           HG23     VAL  41   7.719   6.547  -7.297
  358   2HG2  VAL  41           HG22     VAL  41   6.771   5.552  -8.428
  359   3HG2  VAL  41           HG21     VAL  41   6.746   7.324  -8.568
  360    H    MET  42           H        MET  42   3.290   4.822  -6.321
  361    HA   MET  42           HA       MET  42   1.963   6.164  -4.215
  362   1HB   MET  42           HB2      MET  42   1.217   3.757  -5.922
  363   2HB   MET  42           HB1      MET  42   0.090   4.531  -4.786
  364   1HG   MET  42           HG2      MET  42   1.548   6.029  -6.996
  365   2HG   MET  42           HG1      MET  42  -0.065   5.327  -7.192
  366   1HE   MET  42           HE3      MET  42   0.677   8.354  -7.778
  367   2HE   MET  42           HE2      MET  42  -0.948   7.662  -8.003
  368   3HE   MET  42           HE1      MET  42  -0.744   9.177  -7.090
  369    H    LEU  43           H        LEU  43   3.141   2.772  -4.485
  370    HA   LEU  43           HA       LEU  43   2.037   1.807  -2.077
  371   1HB   LEU  43           HB2      LEU  43   4.565   1.060  -3.599
  372   2HB   LEU  43           HB1      LEU  43   3.950   0.133  -2.212
  373    HG   LEU  43           HG       LEU  43   2.193   0.760  -4.617
  374   1HD1  LEU  43           HD11     LEU  43   4.035  -1.626  -4.177
  375   2HD1  LEU  43           HD13     LEU  43   2.769  -1.539  -5.422
  376   3HD1  LEU  43           HD12     LEU  43   4.149  -0.423  -5.482
  377   1HD2  LEU  43           HD21     LEU  43   2.146  -1.345  -2.408
  378   2HD2  LEU  43           HD22     LEU  43   1.006   0.001  -2.626
  379   3HD2  LEU  43           HD23     LEU  43   1.039  -1.329  -3.801
  380    H    LYS  44           H        LYS  44   5.380   3.129  -2.642
  381    HA   LYS  44           HA       LYS  44   6.042   2.948   0.141
  382   1HB   LYS  44           H        LYS  44   8.086   4.026  -0.424
  383   2HB   LYS  44           H        LYS  44   7.661   2.983  -1.797
  384   1HG   LYS  44           H        LYS  44   6.891   4.878  -3.093
  385   2HG   LYS  44           H        LYS  44   7.006   5.959  -1.695
  386   1HD   LYS  44           H        LYS  44   8.924   6.237  -3.255
  387   2HD   LYS  44           H        LYS  44   9.428   5.732  -1.627
  388   1HE   LYS  44           H        LYS  44  10.620   4.490  -3.435
  389   2HE   LYS  44           H        LYS  44   9.688   3.418  -2.375
  390   1HZ   LYS  44           H        LYS  44   8.836   4.395  -5.011
  391   2HZ   LYS  44           H        LYS  44   9.386   2.878  -4.674
  392   3HZ   LYS  44           H        LYS  44   7.956   3.399  -4.032
  393    H    ASP  45           H        ASP  45   4.591   5.534  -1.849
  394    HA   ASP  45           HA       ASP  45   4.967   7.669  -0.013
  395   1HB   ASP  45           H        ASP  45   4.268   8.076  -2.297
  396   2HB   ASP  45           H        ASP  45   2.796   7.107  -2.072
  397    H    ARG  46           H        ARG  46   2.098   5.551  -0.538
  398    HA   ARG  46           HA       ARG  46   0.529   6.509   1.575
  399   1HB   ARG  46           H        ARG  46   0.170   4.715  -0.388
  400   2HB   ARG  46           H        ARG  46   0.514   3.573   0.925
  401   1HG   ARG  46           H        ARG  46  -1.630   5.743   0.934
  402   2HG   ARG  46           H        ARG  46  -1.904   4.001   0.735
  403   1HD   ARG  46           H        ARG  46  -0.603   3.822   3.026
  404   2HD   ARG  46           H        ARG  46  -1.085   5.523   3.207
  405    HE   ARG  46           H        ARG  46  -2.743   3.219   3.583
  406   1HH1  ARG  46           H        ARG  46  -2.810   6.532   2.298
  407   2HH1  ARG  46           H        ARG  46  -4.551   6.659   2.376
  408   1HH2  ARG  46           H        ARG  46  -4.986   3.459   3.832
  409   2HH2  ARG  46           H        ARG  46  -5.800   4.908   3.265
  410    H    TRP  47           H        TRP  47   2.936   3.809   1.566
  411    HA   TRP  47           HA       TRP  47   2.531   3.037   4.261
  412   1HB   TRP  47           HB1      TRP  47   3.734   1.687   2.589
  413   2HB   TRP  47           HB2      TRP  47   5.035   2.887   2.545
  414    HD1  TRP  47           HD1      TRP  47   7.025   2.199   3.913
  415    HE1  TRP  47           HE1      TRP  47   7.527   0.798   6.021
  416    HE3  TRP  47           HE3      TRP  47   2.238   0.864   5.129
  417    HZ2  TRP  47           HZ2      TRP  47   6.031  -0.695   7.955
  418    HZ3  TRP  47           HZ3      TRP  47   1.816  -0.537   7.126
  419    HH2  TRP  47           HH2      TRP  47   3.698  -1.329   8.536
  420    H    ARG  48           H        ARG  48   4.803   5.428   2.810
  421    HA   ARG  48           HA       ARG  48   6.260   5.914   5.179
  422   1HB   ARG  48           H        ARG  48   6.689   6.616   2.690
  423   2HB   ARG  48           H        ARG  48   5.780   8.075   3.120
  424   1HG   ARG  48           H        ARG  48   7.455   8.875   4.465
  425   2HG   ARG  48           H        ARG  48   7.850   7.269   5.107
  426   1HD   ARG  48           H        ARG  48   8.710   8.457   2.438
  427   2HD   ARG  48           H        ARG  48   9.751   8.047   3.815
  428    HE   ARG  48           H        ARG  48   8.889   6.283   1.716
  429   1HH1  ARG  48           H        ARG  48   9.717   6.373   5.171
  430   2HH1  ARG  48           H        ARG  48   9.968   4.639   5.282
  431   1HH2  ARG  48           H        ARG  48   9.201   3.998   1.912
  432   2HH2  ARG  48           H        ARG  48   9.717   3.312   3.444
  433    H    THR  49           H        THR  49   3.466   7.806   3.791
  434    HA   THR  49           HA       THR  49   3.410   9.610   5.991
  435    HB   THR  49           HB       THR  49   2.341  10.116   3.833
  436    HG1  THR  49           HG1      THR  49   1.608  10.926   5.994
  437   1HG2  THR  49           HG22     THR  49   1.422   7.863   3.346
  438   2HG2  THR  49           HG23     THR  49   0.257   8.051   4.673
  439   3HG2  THR  49           HG21     THR  49   0.171   9.114   3.252
  440    H    MET  50           H        MET  50   1.851   6.426   5.467
  441    HA   MET  50           HA       MET  50   0.132   6.497   7.727
  442   1HB   MET  50           HB2      MET  50   1.333   4.404   5.965
  443   2HB   MET  50           HB1      MET  50   0.781   3.859   7.562
  444   1HG   MET  50           HG1      MET  50  -0.926   5.555   5.712
  445   2HG   MET  50           HG2      MET  50  -0.951   3.784   5.686
  446   1HE   MET  50           HE2      MET  50  -3.385   5.940   6.184
  447   2HE   MET  50           HE1      MET  50  -3.638   4.193   5.971
  448   3HE   MET  50           HE3      MET  50  -4.348   5.028   7.370
  449    H    LYS  51           H        LYS  51   3.622   5.888   7.395
  450    HA   LYS  51           HA       LYS  51   3.876   4.983  10.166
  451   1HB   LYS  51           H        LYS  51   5.869   5.617   7.959
  452   2HB   LYS  51           H        LYS  51   6.343   5.081   9.586
  453   1HG   LYS  51           H        LYS  51   4.262   3.328   8.623
  454   2HG   LYS  51           H        LYS  51   5.504   3.468   7.359
  455   1HD   LYS  51           H        LYS  51   6.173   2.908  10.283
  456   2HD   LYS  51           H        LYS  51   5.881   1.621   9.091
  457   1HE   LYS  51           H        LYS  51   7.665   2.715   7.634
  458   2HE   LYS  51           H        LYS  51   8.062   3.746   9.023
  459   1HZ   LYS  51           H        LYS  51   8.091   0.810   9.103
  460   2HZ   LYS  51           H        LYS  51   9.422   1.734   8.804
  461   3HZ   LYS  51           H        LYS  51   8.648   1.846  10.260
  462    H    LYS  52           H        LYS  52   2.548   7.305  10.335
  463    HA   LYS  52           HA       LYS  52   2.558   9.401  11.243
  464   1HB   LYS  52           H        LYS  52   3.630   7.855  13.008
  465   2HB   LYS  52           H        LYS  52   5.181   8.596  12.551
  466   1HG   LYS  52           H        LYS  52   4.059  10.869  12.957
  467   2HG   LYS  52           H        LYS  52   2.711   9.976  13.689
  468   1HD   LYS  52           H        LYS  52   5.636   9.908  14.580
  469   2HD   LYS  52           H        LYS  52   4.300  10.718  15.428
  470   1HE   LYS  52           H        LYS  52   4.623   7.718  14.966
  471   2HE   LYS  52           H        LYS  52   4.758   8.580  16.511
  472   1HZ   LYS  52           H        LYS  52   2.445   9.209  16.261
  473   2HZ   LYS  52           H        LYS  52   2.333   8.317  14.878
  474   3HZ   LYS  52           H        LYS  52   2.637   7.571  16.316
  475    H    LEU  53           H        LEU  53   3.259   9.768   8.733
  476    HA   LEU  53           HA       LEU  53   5.315  11.885   8.912
  477   1HB   LEU  53           HB1      LEU  53   5.967   9.364   7.878
  478   2HB   LEU  53           HB2      LEU  53   5.557  10.303   6.431
  479    HG   LEU  53           HG       LEU  53   7.947  10.489   6.874
  480   1HD1  LEU  53           HD12     LEU  53   6.707  12.513   6.041
  481   2HD1  LEU  53           HD13     LEU  53   6.627  13.102   7.718
  482   3HD1  LEU  53           HD11     LEU  53   8.203  12.895   6.924
  483   1HD2  LEU  53           HD21     LEU  53   7.676  10.034   9.381
  484   2HD2  LEU  53           HD22     LEU  53   8.894  11.245   8.921
  485   3HD2  LEU  53           HD23     LEU  53   7.320  11.767   9.558
   
  No H/Q in entry =         485
  Start of MODEL    3
    1   1H    ARG   1           H1       ARG   1 -14.192  14.679  -9.508
    2   2H    ARG   1           H2       ARG   1 -13.336  16.056  -9.810
    3   3H    ARG   1           H3       ARG   1 -14.436  15.509 -10.912
    4    HA   ARG   1           HA       ARG   1 -13.154  13.546 -11.314
    5   1HB   ARG   1           H        ARG   1 -12.813  15.648 -12.664
    6   2HB   ARG   1           H        ARG   1 -11.483  16.083 -11.570
    7   1HG   ARG   1           H        ARG   1 -10.381  15.020 -13.364
    8   2HG   ARG   1           H        ARG   1 -10.514  13.723 -12.157
    9   1HD   ARG   1           H        ARG   1 -12.480  12.809 -13.290
   10   2HD   ARG   1           H        ARG   1 -12.507  14.171 -14.427
   11    HE   ARG   1           H        ARG   1 -10.783  11.813 -14.512
   12   1HH1  ARG   1           H        ARG   1 -11.118  15.210 -15.487
   13   2HH1  ARG   1           H        ARG   1 -10.084  15.049 -16.885
   14   1HH2  ARG   1           H        ARG   1  -9.407  11.621 -16.353
   15   2HH2  ARG   1           H        ARG   1  -9.090  13.011 -17.365
   16    H    LYS   2           H        LYS   2 -12.722  12.310  -9.422
   17    HA   LYS   2           HA       LYS   2  -9.955  12.418  -8.557
   18   1HB   LYS   2           H        LYS   2 -10.543  12.643  -6.107
   19   2HB   LYS   2           H        LYS   2 -10.750  14.132  -7.050
   20   1HG   LYS   2           H        LYS   2 -13.158  13.790  -7.190
   21   2HG   LYS   2           H        LYS   2 -13.027  12.189  -6.431
   22   1HD   LYS   2           H        LYS   2 -12.037  14.695  -5.023
   23   2HD   LYS   2           H        LYS   2 -13.742  14.195  -4.936
   24   1HE   LYS   2           H        LYS   2 -13.006  11.948  -4.102
   25   2HE   LYS   2           H        LYS   2 -11.327  12.529  -4.092
   26   1HZ   LYS   2           H        LYS   2 -11.985  14.215  -2.535
   27   2HZ   LYS   2           H        LYS   2 -13.542  13.672  -2.540
   28   3HZ   LYS   2           H        LYS   2 -12.338  12.715  -1.947
   29    H    ARG   3           H        ARG   3 -11.272  10.474  -9.971
   30    HA   ARG   3           HA       ARG   3 -12.473   8.475  -8.268
   31   1HB   ARG   3           H        ARG   3 -12.895   8.741 -10.732
   32   2HB   ARG   3           H        ARG   3 -11.240   8.168 -11.043
   33   1HG   ARG   3           H        ARG   3 -12.842   6.448  -9.209
   34   2HG   ARG   3           H        ARG   3 -13.454   6.535 -10.877
   35   1HD   ARG   3           H        ARG   3 -11.404   5.719 -11.790
   36   2HD   ARG   3           H        ARG   3 -10.521   6.013 -10.280
   37    HE   ARG   3           H        ARG   3 -11.242   3.980  -9.458
   38   1HH1  ARG   3           H        ARG   3 -13.218   4.888 -12.261
   39   2HH1  ARG   3           H        ARG   3 -14.037   3.348 -12.350
   40   1HH2  ARG   3           H        ARG   3 -12.340   1.958  -9.578
   41   2HH2  ARG   3           H        ARG   3 -13.541   1.680 -10.816
   42    H    GLN   4           H        GLN   4  -9.183   9.133  -9.509
   43    HA   GLN   4           HA       GLN   4  -8.021   6.648  -8.705
   44   1HB   GLN   4           HB2      GLN   4  -7.020   8.236 -10.344
   45   2HB   GLN   4           HB1      GLN   4  -6.736   9.397  -9.026
   46   1HG   GLN   4           HG1      GLN   4  -5.317   7.714  -7.865
   47   2HG   GLN   4           HG2      GLN   4  -5.591   6.573  -9.198
   48   1HE2  GLN   4           HE22     GLN   4  -2.404   8.832  -9.483
   49   2HE2  GLN   4           HE21     GLN   4  -3.152   8.167  -8.048
   50    H    ALA   5           H        ALA   5  -8.302   5.972  -6.622
   51    HA   ALA   5           HA       ALA   5  -6.973   7.481  -4.511
   52   1HB   ALA   5           HB3      ALA   5  -9.203   8.557  -4.536
   53   2HB   ALA   5           HB2      ALA   5  -9.977   6.961  -4.386
   54   3HB   ALA   5           HB1      ALA   5  -8.976   7.594  -3.057
   55    H    TRP   6           H        TRP   6  -7.189   6.217  -2.385
   56    HA   TRP   6           HA       TRP   6  -6.869   3.335  -2.998
   57   1HB   TRP   6           HB2      TRP   6  -6.093   5.158  -0.708
   58   2HB   TRP   6           HB1      TRP   6  -6.039   3.398  -0.550
   59    HD1  TRP   6           HD1      TRP   6  -4.643   6.004  -3.046
   60    HE1  TRP   6           HE1      TRP   6  -2.240   5.353  -3.706
   61    HE3  TRP   6           HE3      TRP   6  -4.214   1.677  -0.345
   62    HZ2  TRP   6           HZ2      TRP   6  -0.402   3.241  -3.138
   63    HZ3  TRP   6           HZ3      TRP   6  -2.106   0.373  -0.433
   64    HH2  TRP   6           HH2      TRP   6  -0.208   1.148  -1.826
   65    H    LEU   7           H        LEU   7  -7.748   1.780  -1.345
   66    HA   LEU   7           HA       LEU   7 -10.142   2.756   0.063
   67   1HB   LEU   7           HB1      LEU   7 -11.374   0.652  -0.838
   68   2HB   LEU   7           HB2      LEU   7 -11.296   2.104  -1.843
   69    HG   LEU   7           HG       LEU   7 -10.885  -0.080  -3.050
   70   1HD1  LEU   7           HD12     LEU   7  -9.874   2.361  -3.586
   71   2HD1  LEU   7           HD11     LEU   7  -8.349   1.465  -3.390
   72   3HD1  LEU   7           HD13     LEU   7  -9.539   0.936  -4.594
   73   1HD2  LEU   7           HD22     LEU   7  -9.482  -1.008  -1.122
   74   2HD2  LEU   7           HD23     LEU   7  -8.899  -1.310  -2.771
   75   3HD2  LEU   7           HD21     LEU   7  -8.143  -0.048  -1.778
   76    H    TRP   8           H        TRP   8 -11.092   0.916   1.433
   77    HA   TRP   8           HA       TRP   8  -9.267   0.325   3.406
   78   1HB   TRP   8           HB1      TRP   8 -10.952  -0.933   4.431
   79   2HB   TRP   8           HB2      TRP   8 -11.805   0.274   3.462
   80    HD1  TRP   8           HD1      TRP   8 -11.395  -3.405   3.944
   81    HE1  TRP   8           HE1      TRP   8 -12.977  -4.740   2.416
   82    HE3  TRP   8           HE3      TRP   8 -13.010   0.410   0.938
   83    HZ2  TRP   8           HZ2      TRP   8 -14.700  -4.217   0.201
   84    HZ3  TRP   8           HZ3      TRP   8 -14.622  -0.058  -0.887
   85    HH2  TRP   8           HH2      TRP   8 -15.471  -2.361  -1.260
   86    H    GLU   9           H        GLU   9 -10.147  -1.848   0.645
   87    HA   GLU   9           HA       GLU   9  -8.851  -4.154   1.635
   88   1HB   GLU   9           H        GLU   9  -9.477  -3.153  -1.156
   89   2HB   GLU   9           H        GLU   9  -8.567  -4.658  -0.913
   90   1HG   GLU   9           H        GLU   9 -11.283  -4.052   0.319
   91   2HG   GLU   9           H        GLU   9 -11.034  -5.027  -1.139
   92    H    GLU  10           H        GLU  10  -7.515  -1.775  -0.758
   93    HA   GLU  10           HA       GLU  10  -4.917  -2.876  -0.776
   94   1HB   GLU  10           H        GLU  10  -5.945  -0.076  -1.354
   95   2HB   GLU  10           H        GLU  10  -4.255  -0.566  -1.605
   96   1HG   GLU  10           H        GLU  10  -5.077  -2.451  -3.059
   97   2HG   GLU  10           H        GLU  10  -6.714  -1.779  -2.924
   98    H    ASP  11           H        ASP  11  -6.295  -0.219   1.254
   99    HA   ASP  11           HA       ASP  11  -3.854   0.505   2.503
  100   1HB   ASP  11           H        ASP  11  -6.750   0.658   3.413
  101   2HB   ASP  11           H        ASP  11  -5.405   1.356   4.337
  102    H    LYS  12           H        LYS  12  -6.450  -1.695   3.720
  103    HA   LYS  12           HA       LYS  12  -5.111  -2.515   6.072
  104   1HB   LYS  12           H        LYS  12  -7.532  -2.857   5.487
  105   2HB   LYS  12           H        LYS  12  -7.038  -4.106   4.321
  106   1HG   LYS  12           H        LYS  12  -5.787  -5.160   6.393
  107   2HG   LYS  12           H        LYS  12  -6.899  -4.151   7.345
  108   1HD   LYS  12           H        LYS  12  -7.696  -6.203   5.222
  109   2HD   LYS  12           H        LYS  12  -7.842  -6.414   6.983
  110   1HE   LYS  12           H        LYS  12  -9.399  -4.486   7.088
  111   2HE   LYS  12           H        LYS  12  -9.252  -4.265   5.332
  112   1HZ   LYS  12           H        LYS  12 -10.292  -6.673   6.652
  113   2HZ   LYS  12           H        LYS  12 -11.207  -5.502   5.937
  114   3HZ   LYS  12           H        LYS  12 -10.188  -6.424   5.023
  115    H    ASN  13           H        ASN  13  -5.238  -4.007   2.815
  116    HA   ASN  13           HA       ASN  13  -3.643  -6.267   3.344
  117   1HB   ASN  13           HB2      ASN  13  -4.979  -6.147   1.367
  118   2HB   ASN  13           HB1      ASN  13  -4.213  -4.629   0.855
  119   1HD2  ASN  13           HD21     ASN  13  -1.529  -6.128  -0.804
  120   2HD2  ASN  13           HD22     ASN  13  -2.248  -4.647  -0.207
  121    H    LEU  14           H        LEU  14  -2.721  -2.953   2.294
  122    HA   LEU  14           HA       LEU  14  -0.050  -3.408   1.631
  123   1HB   LEU  14           HB2      LEU  14  -1.272  -1.282   1.286
  124   2HB   LEU  14           HB1      LEU  14  -1.250  -0.981   3.036
  125    HG   LEU  14           HG       LEU  14   1.400  -1.588   1.807
  126   1HD1  LEU  14           HD11     LEU  14   0.350  -0.198   0.045
  127   2HD1  LEU  14           HD13     LEU  14  -0.060   1.033   1.262
  128   3HD1  LEU  14           HD12     LEU  14   1.644   0.689   0.882
  129   1HD2  LEU  14           HD23     LEU  14   1.059  -0.916   4.199
  130   2HD2  LEU  14           HD22     LEU  14   2.100   0.214   3.316
  131   3HD2  LEU  14           HD21     LEU  14   0.406   0.639   3.642
  132    H    ARG  15           H        ARG  15  -1.429  -2.607   4.875
  133    HA   ARG  15           HA       ARG  15   1.041  -2.568   6.256
  134   1HB   ARG  15           H        ARG  15  -1.657  -3.463   7.351
  135   2HB   ARG  15           H        ARG  15  -0.289  -2.793   8.267
  136   1HG   ARG  15           H        ARG  15  -0.590  -0.786   6.496
  137   2HG   ARG  15           H        ARG  15  -2.254  -1.406   6.462
  138   1HD   ARG  15           H        ARG  15  -0.724  -0.637   8.985
  139   2HD   ARG  15           H        ARG  15  -1.927   0.385   8.168
  140    HE   ARG  15           H        ARG  15  -3.099  -2.153   8.706
  141   1HH1  ARG  15           H        ARG  15  -1.910   0.734  10.377
  142   2HH1  ARG  15           H        ARG  15  -3.013   0.578  11.724
  143   1HH2  ARG  15           H        ARG  15  -4.565  -2.350  10.482
  144   2HH2  ARG  15           H        ARG  15  -4.529  -1.182  11.782
  145    H    SER  16           H        SER  16  -1.267  -5.265   5.652
  146    HA   SER  16           HA       SER  16   0.189  -7.238   7.115
  147   1HB   SER  16           HB1      SER  16  -2.183  -7.469   6.455
  148   2HB   SER  16           HB2      SER  16  -1.706  -7.524   4.742
  149    HG   SER  16           HG       SER  16  -1.168  -9.391   6.797
  150    H    GLY  17           H        GLY  17   0.528  -5.949   3.824
  151   1HA   GLY  17           HA2      GLY  17   2.231  -8.134   2.925
  152   2HA   GLY  17           HA1      GLY  17   1.870  -6.622   2.066
  153    H    VAL  18           H        VAL  18   2.851  -4.599   3.161
  154    HA   VAL  18           HA       VAL  18   5.579  -4.643   2.823
  155    HB   VAL  18           HB       VAL  18   3.887  -2.812   4.573
  156   1HG1  VAL  18           HG12     VAL  18   6.767  -2.628   3.609
  157   2HG1  VAL  18           HG13     VAL  18   5.821  -1.193   4.060
  158   3HG1  VAL  18           HG11     VAL  18   6.149  -2.453   5.271
  159   1HG2  VAL  18           HG23     VAL  18   3.287  -2.958   2.136
  160   2HG2  VAL  18           HG22     VAL  18   3.912  -1.360   2.596
  161   3HG2  VAL  18           HG21     VAL  18   4.959  -2.507   1.730
  162    H    ARG  19           H        ARG  19   3.844  -5.291   5.923
  163    HA   ARG  19           HA       ARG  19   6.151  -5.078   7.565
  164   1HB   ARG  19           H        ARG  19   4.859  -6.108   9.278
  165   2HB   ARG  19           H        ARG  19   3.738  -5.119   8.319
  166   1HG   ARG  19           H        ARG  19   3.115  -7.194   7.031
  167   2HG   ARG  19           H        ARG  19   4.127  -8.141   8.141
  168   1HD   ARG  19           H        ARG  19   1.731  -6.421   8.912
  169   2HD   ARG  19           H        ARG  19   1.762  -8.194   8.856
  170    HE   ARG  19           H        ARG  19   2.795  -6.472  10.962
  171   1HH1  ARG  19           H        ARG  19   3.165  -9.619   9.369
  172   2HH1  ARG  19           H        ARG  19   3.853 -10.399  10.773
  173   1HH2  ARG  19           H        ARG  19   3.734  -7.505  12.798
  174   2HH2  ARG  19           H        ARG  19   4.195  -9.190  12.720
  175    H    LYS  20           H        LYS  20   4.939  -7.840   5.590
  176    HA   LYS  20           HA       LYS  20   7.124  -9.508   6.742
  177   1HB   LYS  20           H        LYS  20   5.978 -11.425   5.833
  178   2HB   LYS  20           H        LYS  20   4.812 -10.431   6.731
  179   1HG   LYS  20           H        LYS  20   3.828  -9.587   4.711
  180   2HG   LYS  20           H        LYS  20   5.177 -10.176   3.726
  181   1HD   LYS  20           H        LYS  20   3.336 -11.694   3.379
  182   2HD   LYS  20           H        LYS  20   4.561 -12.532   4.354
  183   1HE   LYS  20           H        LYS  20   2.425 -13.011   5.350
  184   2HE   LYS  20           H        LYS  20   3.239 -11.859   6.423
  185   1HZ   LYS  20           H        LYS  20   1.198 -11.187   4.414
  186   2HZ   LYS  20           H        LYS  20   0.961 -11.275   6.044
  187   3HZ   LYS  20           H        LYS  20   1.949 -10.112   5.418
  188    H    TYR  21           H        TYR  21   6.110  -7.911   3.733
  189    HA   TYR  21           HA       TYR  21   8.045  -9.339   2.084
  190   1HB   TYR  21           HB2      TYR  21   6.135  -7.040   1.723
  191   2HB   TYR  21           HB1      TYR  21   7.441  -7.266   0.553
  192    HD1  TYR  21           HD2      TYR  21   4.483  -8.956   2.091
  193    HD2  TYR  21           HD1      TYR  21   7.295  -8.914  -1.165
  194    HE1  TYR  21           HE2      TYR  21   3.136 -10.662   0.910
  195    HE2  TYR  21           HE1      TYR  21   5.925 -10.619  -2.358
  196    HH   TYR  21           HH       TYR  21   4.087 -11.974  -2.274
  197    H    GLY  22           H        GLY  22   7.937  -6.345   3.997
  198   1HA   GLY  22           HA1      GLY  22   9.844  -5.275   4.867
  199   2HA   GLY  22           HA2      GLY  22  10.857  -6.052   3.630
  200    H    GLU  23           H        GLU  23  10.622  -3.176   4.444
  201    HA   GLU  23           HA       GLU  23   9.297  -1.795   2.254
  202   1HB   GLU  23           H        GLU  23  11.253  -0.877   4.412
  203   2HB   GLU  23           H        GLU  23  10.433   0.204   3.263
  204   1HG   GLU  23           H        GLU  23   8.227  -0.744   4.099
  205   2HG   GLU  23           H        GLU  23   9.140  -1.574   5.373
  206    H    GLY  24           H        GLY  24  10.450  -3.166   0.566
  207   1HA   GLY  24           HA2      GLY  24  12.712  -1.634  -0.471
  208   2HA   GLY  24           HA1      GLY  24  13.121  -3.295   0.012
  209    H    ASN  25           H        ASN  25  11.433  -4.999  -0.827
  210    HA   ASN  25           HA       ASN  25  11.352  -4.643  -3.730
  211   1HB   ASN  25           HB2      ASN  25  10.363  -7.045  -3.554
  212   2HB   ASN  25           HB1      ASN  25  12.070  -6.776  -3.167
  213   1HD2  ASN  25           HD22     ASN  25   9.615  -7.154   0.163
  214   2HD2  ASN  25           HD21     ASN  25   9.063  -6.219  -1.216
  215    H    TRP  26           H        TRP  26   9.798  -2.751  -3.365
  216    HA   TRP  26           HA       TRP  26   7.073  -3.248  -2.657
  217   1HB   TRP  26           HB2      TRP  26   8.092  -1.195  -4.641
  218   2HB   TRP  26           HB1      TRP  26   6.637  -1.106  -3.637
  219    HD1  TRP  26           HD1      TRP  26  10.272  -0.315  -3.663
  220    HE1  TRP  26           HE1      TRP  26  11.025   0.792  -1.464
  221    HE3  TRP  26           HE3      TRP  26   6.049  -1.106  -0.882
  222    HZ2  TRP  26           HZ2      TRP  26   9.937   1.271   1.129
  223    HZ3  TRP  26           HZ3      TRP  26   5.946  -0.290   1.460
  224    HH2  TRP  26           HH2      TRP  26   7.879   0.898   2.465
  225    H    SER  27           H        SER  27   8.994  -3.864  -5.531
  226    HA   SER  27           HA       SER  27   6.980  -4.052  -7.493
  227   1HB   SER  27           HB2      SER  27   8.643  -5.707  -8.533
  228   2HB   SER  27           HB1      SER  27   9.278  -4.088  -8.154
  229    HG   SER  27           HG       SER  27  10.664  -5.751  -7.409
  230    H    LYS  28           H        LYS  28   8.459  -6.703  -5.514
  231    HA   LYS  28           HA       LYS  28   6.768  -8.778  -6.333
  232   1HB   LYS  28           H        LYS  28   8.153  -8.238  -3.676
  233   2HB   LYS  28           H        LYS  28   7.307  -9.758  -4.045
  234   1HG   LYS  28           H        LYS  28   8.815  -9.643  -6.259
  235   2HG   LYS  28           H        LYS  28   9.862  -8.666  -5.207
  236   1HD   LYS  28           H        LYS  28   8.782 -11.437  -4.496
  237   2HD   LYS  28           H        LYS  28  10.398 -11.138  -5.171
  238   1HE   LYS  28           H        LYS  28   9.446  -9.754  -2.636
  239   2HE   LYS  28           H        LYS  28  10.196 -11.361  -2.596
  240   1HZ   LYS  28           H        LYS  28  11.455  -9.017  -3.828
  241   2HZ   LYS  28           H        LYS  28  11.733  -9.494  -2.272
  242   3HZ   LYS  28           H        LYS  28  12.143 -10.486  -3.530
  243    H    ILE  29           H        ILE  29   6.337  -6.505  -3.560
  244    HA   ILE  29           HA       ILE  29   3.971  -7.542  -2.502
  245    HB   ILE  29           HB       ILE  29   4.975  -4.677  -2.753
  246   1HG1  ILE  29           HG12     ILE  29   4.921  -6.649  -0.429
  247   2HG1  ILE  29           HG11     ILE  29   6.343  -6.318  -1.442
  248   1HG2  ILE  29           HG23     ILE  29   2.658  -5.796  -1.117
  249   2HG2  ILE  29           HG21     ILE  29   3.350  -4.169  -0.916
  250   3HG2  ILE  29           HG22     ILE  29   2.550  -4.605  -2.436
  251   1HD1  ILE  29           HD11     ILE  29   5.951  -3.822  -0.788
  252   2HD1  ILE  29           HD13     ILE  29   4.940  -4.484   0.516
  253   3HD1  ILE  29           HD12     ILE  29   6.663  -4.909   0.424
  254    H    LEU  30           H        LEU  30   4.319  -5.052  -5.095
  255    HA   LEU  30           HA       LEU  30   1.510  -4.821  -5.595
  256   1HB   LEU  30           HB1      LEU  30   3.401  -3.200  -6.204
  257   2HB   LEU  30           HB2      LEU  30   3.795  -4.303  -7.540
  258    HG   LEU  30           HG       LEU  30   1.200  -4.070  -8.084
  259   1HD1  LEU  30           HD12     LEU  30   0.784  -2.718  -5.992
  260   2HD1  LEU  30           HD13     LEU  30   1.799  -1.431  -6.680
  261   3HD1  LEU  30           HD11     LEU  30   0.285  -1.899  -7.489
  262   1HD2  LEU  30           HD22     LEU  30   3.243  -1.872  -8.625
  263   2HD2  LEU  30           HD23     LEU  30   3.031  -3.363  -9.574
  264   3HD2  LEU  30           HD21     LEU  30   1.743  -2.135  -9.548
  265    H    LEU  31           H        LEU  31   4.061  -6.965  -6.850
  266    HA   LEU  31           HA       LEU  31   2.723  -7.876  -9.167
  267   1HB   LEU  31           HB2      LEU  31   5.213  -8.191  -8.095
  268   2HB   LEU  31           HB1      LEU  31   4.520  -9.774  -7.717
  269    HG   LEU  31           HG       LEU  31   5.624  -9.934  -9.858
  270   1HD1  LEU  31           HD12     LEU  31   3.324 -11.002  -9.585
  271   2HD1  LEU  31           HD13     LEU  31   2.670  -9.634 -10.517
  272   3HD1  LEU  31           HD11     LEU  31   3.855 -10.728 -11.260
  273   1HD2  LEU  31           HD21     LEU  31   5.569  -7.438 -10.305
  274   2HD2  LEU  31           HD23     LEU  31   5.224  -8.460 -11.720
  275   3HD2  LEU  31           HD22     LEU  31   3.896  -7.640 -10.873
  276    H    HIS  32           H        HIS  32   2.832  -9.346  -5.832
  277    HA   HIS  32           HA       HIS  32   0.383 -10.853  -6.575
  278   1HB   HIS  32           HB2      HIS  32   1.495 -12.943  -5.622
  279   2HB   HIS  32           HB1      HIS  32   2.043 -12.401  -7.213
  280    HD1  HIS  32           HD1      HIS  32   4.354 -13.536  -7.032
  281    HD2  HIS  32           HD2      HIS  32   3.608 -10.742  -4.006
  282    HE1  HIS  32           HE1      HIS  32   6.549 -13.098  -5.825
  283    H    TYR  33           H        TYR  33  -0.082  -8.883  -4.941
  284    HA   TYR  33           HA       TYR  33  -0.778 -10.301  -2.516
  285   1HB   TYR  33           HB2      TYR  33   1.668  -9.344  -2.249
  286   2HB   TYR  33           HB1      TYR  33   0.827  -7.810  -1.982
  287    HD1  TYR  33           HD2      TYR  33   0.964 -11.374  -0.822
  288    HD2  TYR  33           HD1      TYR  33  -0.103  -7.318   0.149
  289    HE1  TYR  33           HE2      TYR  33   0.506 -12.056   1.522
  290    HE2  TYR  33           HE1      TYR  33  -0.575  -8.006   2.486
  291    HH   TYR  33           HH       TYR  33  -0.757  -9.764   3.964
  292    H    LYS  34           H        LYS  34  -2.524  -9.463  -4.302
  293    HA   LYS  34           HA       LYS  34  -4.366  -8.157  -4.697
  294   1HB   LYS  34           H        LYS  34  -4.047  -7.940  -1.689
  295   2HB   LYS  34           H        LYS  34  -5.436  -7.249  -2.555
  296   1HG   LYS  34           H        LYS  34  -5.684  -9.609  -3.628
  297   2HG   LYS  34           H        LYS  34  -4.607 -10.155  -2.320
  298   1HD   LYS  34           H        LYS  34  -6.688 -10.427  -1.308
  299   2HD   LYS  34           H        LYS  34  -6.282  -8.773  -0.795
  300   1HE   LYS  34           H        LYS  34  -7.580  -7.884  -2.742
  301   2HE   LYS  34           H        LYS  34  -8.020  -9.547  -3.182
  302   1HZ   LYS  34           H        LYS  34  -9.020  -9.714  -0.956
  303   2HZ   LYS  34           H        LYS  34  -8.766  -8.094  -0.735
  304   3HZ   LYS  34           H        LYS  34  -9.761  -8.622  -1.942
  305    H    PHE  35           H        PHE  35  -3.576  -6.533  -6.023
  306    HA   PHE  35           HA       PHE  35  -3.675  -3.863  -4.821
  307   1HB   PHE  35           HB2      PHE  35  -1.159  -5.088  -5.918
  308   2HB   PHE  35           HB1      PHE  35  -1.488  -3.382  -6.267
  309    HD1  PHE  35           HD1      PHE  35  -1.933  -1.795  -4.321
  310    HD2  PHE  35           HD2      PHE  35  -0.319  -5.747  -3.786
  311    HE1  PHE  35           HE1      PHE  35  -1.122  -1.157  -2.065
  312    HE2  PHE  35           HE2      PHE  35   0.477  -5.112  -1.522
  313    HZ   PHE  35           HZ       PHE  35   0.083  -2.815  -0.663
  314    H    ASN  36           H        ASN  36  -4.333  -2.296  -6.262
  315    HA   ASN  36           HA       ASN  36  -5.226  -3.324  -8.905
  316   1HB   ASN  36           HB1      ASN  36  -6.804  -2.282  -7.158
  317   2HB   ASN  36           HB2      ASN  36  -6.018  -0.733  -7.523
  318   1HD2  ASN  36           HD22     ASN  36  -8.377  -2.598 -10.403
  319   2HD2  ASN  36           HD21     ASN  36  -7.609  -3.541  -9.144
  320    H    ASN  37           H        ASN  37  -5.408  -0.165  -9.425
  321    HA   ASN  37           HA       ASN  37  -2.902  -0.089 -10.922
  322   1HB   ASN  37           HB2      ASN  37  -5.282   1.781 -10.628
  323   2HB   ASN  37           HB1      ASN  37  -3.842   2.205 -11.578
  324   1HD2  ASN  37           HD22     ASN  37  -6.546  -0.579 -12.979
  325   2HD2  ASN  37           HD21     ASN  37  -6.632   0.015 -11.334
  326    H    ARG  38           H        ARG  38  -1.784  -0.323  -8.664
  327    HA   ARG  38           HA       ARG  38  -1.251   2.411  -7.565
  328   1HB   ARG  38           H        ARG  38  -0.845  -0.335  -6.302
  329   2HB   ARG  38           H        ARG  38  -0.450   1.221  -5.542
  330   1HG   ARG  38           H        ARG  38  -3.246   0.385  -6.453
  331   2HG   ARG  38           H        ARG  38  -2.648   0.293  -4.785
  332   1HD   ARG  38           H        ARG  38  -3.532   2.371  -4.587
  333   2HD   ARG  38           H        ARG  38  -2.036   2.889  -5.383
  334    HE   ARG  38           H        ARG  38  -3.229   2.983  -7.502
  335   1HH1  ARG  38           H        ARG  38  -5.415   2.051  -4.857
  336   2HH1  ARG  38           H        ARG  38  -6.699   3.134  -5.376
  337   1HH2  ARG  38           H        ARG  38  -5.061   4.071  -8.371
  338   2HH2  ARG  38           H        ARG  38  -6.590   4.030  -7.523
  339    H    THR  39           H        THR  39   1.088   2.637  -6.780
  340    HA   THR  39           HA       THR  39   2.991   1.145  -8.517
  341    HB   THR  39           HB       THR  39   3.033   4.175  -8.187
  342    HG1  THR  39           HG1      THR  39   2.187   4.161 -10.330
  343   1HG2  THR  39           HG23     THR  39   4.437   2.196 -10.036
  344   2HG2  THR  39           HG21     THR  39   4.477   3.961 -10.259
  345   3HG2  THR  39           HG22     THR  39   5.187   3.235  -8.801
  346    H    SER  40           H        SER  40   5.220   1.274  -7.747
  347    HA   SER  40           HA       SER  40   5.575   0.806  -5.030
  348   1HB   SER  40           HB1      SER  40   8.007   1.327  -5.520
  349   2HB   SER  40           HB2      SER  40   7.247   0.171  -6.640
  350    HG   SER  40           HG       SER  40   8.424   1.798  -7.742
  351    H    VAL  41           H        VAL  41   5.897   3.908  -6.814
  352    HA   VAL  41           HA       VAL  41   6.881   5.485  -4.685
  353    HB   VAL  41           HB       VAL  41   5.078   6.235  -7.032
  354   1HG1  VAL  41           HG13     VAL  41   6.798   7.924  -5.161
  355   2HG1  VAL  41           HG11     VAL  41   6.078   8.518  -6.675
  356   3HG1  VAL  41           HG12     VAL  41   5.029   7.996  -5.339
  357   1HG2  VAL  41           HG22     VAL  41   8.109   6.254  -6.660
  358   2HG2  VAL  41           HG21     VAL  41   7.185   5.193  -7.750
  359   3HG2  VAL  41           HG23     VAL  41   7.251   6.942  -8.058
  360    H    MET  42           H        MET  42   3.491   4.806  -5.723
  361    HA   MET  42           HA       MET  42   2.257   6.444  -3.742
  362   1HB   MET  42           HB1      MET  42   1.219   3.967  -5.190
  363   2HB   MET  42           HB2      MET  42   0.222   5.120  -4.277
  364   1HG   MET  42           HG2      MET  42   1.951   5.830  -6.680
  365   2HG   MET  42           HG1      MET  42   0.208   5.541  -6.737
  366   1HE   MET  42           HE1      MET  42  -0.142   7.812  -7.971
  367   2HE   MET  42           HE2      MET  42   0.472   9.376  -7.386
  368   3HE   MET  42           HE3      MET  42   1.611   8.115  -7.917
  369    H    LEU  43           H        LEU  43   3.156   2.954  -3.801
  370    HA   LEU  43           HA       LEU  43   2.020   2.228  -1.315
  371   1HB   LEU  43           HB2      LEU  43   4.180   1.192  -3.113
  372   2HB   LEU  43           HB1      LEU  43   4.237   0.651  -1.423
  373    HG   LEU  43           HG       LEU  43   1.748   0.063  -1.670
  374   1HD1  LEU  43           HD11     LEU  43   1.366   1.390  -3.754
  375   2HD1  LEU  43           HD12     LEU  43   2.465   0.296  -4.625
  376   3HD1  LEU  43           HD13     LEU  43   0.937  -0.322  -3.959
  377   1HD2  LEU  43           HD22     LEU  43   3.812  -1.398  -3.367
  378   2HD2  LEU  43           HD21     LEU  43   3.515  -1.639  -1.629
  379   3HD2  LEU  43           HD23     LEU  43   2.264  -2.082  -2.814
  380    H    LYS  44           H        LYS  44   5.305   3.480  -2.102
  381    HA   LYS  44           HA       LYS  44   6.335   3.442   0.538
  382   1HB   LYS  44           H        LYS  44   6.943   5.117  -1.926
  383   2HB   LYS  44           H        LYS  44   7.868   5.272  -0.415
  384   1HG   LYS  44           H        LYS  44   8.669   3.043  -0.539
  385   2HG   LYS  44           H        LYS  44   7.431   2.567  -1.718
  386   1HD   LYS  44           H        LYS  44   9.652   2.840  -2.799
  387   2HD   LYS  44           H        LYS  44   8.466   4.000  -3.434
  388   1HE   LYS  44           H        LYS  44  10.675   5.059  -2.987
  389   2HE   LYS  44           H        LYS  44   9.380   5.777  -2.010
  390   1HZ   LYS  44           H        LYS  44  11.259   3.721  -1.072
  391   2HZ   LYS  44           H        LYS  44  11.379   5.333  -0.752
  392   3HZ   LYS  44           H        LYS  44  10.101   4.470  -0.168
  393    H    ASP  45           H        ASP  45   4.898   6.184  -1.330
  394    HA   ASP  45           HA       ASP  45   5.054   8.132   0.676
  395   1HB   ASP  45           H        ASP  45   4.503   8.674  -1.619
  396   2HB   ASP  45           H        ASP  45   3.018   7.702  -1.544
  397    H    ARG  46           H        ARG  46   2.249   5.984  -0.094
  398    HA   ARG  46           HA       ARG  46   0.584   6.936   1.982
  399   1HB   ARG  46           H        ARG  46   0.725   4.239   0.573
  400   2HB   ARG  46           H        ARG  46  -0.590   4.716   1.668
  401   1HG   ARG  46           H        ARG  46   0.189   6.494  -0.665
  402   2HG   ARG  46           H        ARG  46  -0.881   5.102  -0.912
  403   1HD   ARG  46           H        ARG  46  -1.383   7.280   1.157
  404   2HD   ARG  46           H        ARG  46  -2.083   7.279  -0.474
  405    HE   ARG  46           H        ARG  46  -2.678   4.778   0.715
  406   1HH1  ARG  46           H        ARG  46  -3.418   8.218   1.113
  407   2HH1  ARG  46           H        ARG  46  -4.988   7.938   1.828
  408   1HH2  ARG  46           H        ARG  46  -4.751   4.410   1.673
  409   2HH2  ARG  46           H        ARG  46  -5.762   5.771   2.112
  410    H    TRP  47           H        TRP  47   2.810   4.079   1.926
  411    HA   TRP  47           HA       TRP  47   2.216   3.211   4.546
  412   1HB   TRP  47           HB1      TRP  47   3.416   1.880   2.862
  413   2HB   TRP  47           HB2      TRP  47   4.800   2.974   2.981
  414    HD1  TRP  47           HD1      TRP  47   6.633   1.772   4.182
  415    HE1  TRP  47           HE1      TRP  47   6.927   0.296   6.272
  416    HE3  TRP  47           HE3      TRP  47   1.721   1.374   5.603
  417    HZ2  TRP  47           HZ2      TRP  47   5.273  -0.870   8.270
  418    HZ3  TRP  47           HZ3      TRP  47   1.133   0.073   7.626
  419    HH2  TRP  47           HH2      TRP  47   2.895  -1.051   8.960
  420    H    ARG  48           H        ARG  48   4.440   5.741   3.377
  421    HA   ARG  48           HA       ARG  48   6.104   6.063   5.576
  422   1HB   ARG  48           H        ARG  48   6.086   7.324   3.349
  423   2HB   ARG  48           H        ARG  48   4.847   8.380   4.064
  424   1HG   ARG  48           H        ARG  48   6.382   8.965   5.905
  425   2HG   ARG  48           H        ARG  48   7.616   7.868   5.237
  426   1HD   ARG  48           H        ARG  48   7.635   9.213   3.132
  427   2HD   ARG  48           H        ARG  48   6.442  10.316   3.845
  428    HE   ARG  48           H        ARG  48   8.113  11.310   5.109
  429   1HH1  ARG  48           H        ARG  48   9.274   8.216   3.823
  430   2HH1  ARG  48           H        ARG  48  10.941   8.508   4.258
  431   1HH2  ARG  48           H        ARG  48  10.317  11.687   5.672
  432   2HH2  ARG  48           H        ARG  48  11.532  10.477   5.330
  433    H    THR  49           H        THR  49   2.809   7.494   5.114
  434    HA   THR  49           HA       THR  49   2.893   8.519   7.871
  435    HB   THR  49           HB       THR  49   1.946   9.712   5.737
  436    HG1  THR  49           HG1      THR  49   0.504   9.612   8.193
  437   1HG2  THR  49           HG22     THR  49   0.389   7.840   5.125
  438   2HG2  THR  49           HG21     THR  49  -0.515   8.143   6.629
  439   3HG2  THR  49           HG23     THR  49  -0.438   9.393   5.367
  440    H    MET  50           H        MET  50   1.156   6.029   5.940
  441    HA   MET  50           HA       MET  50  -0.751   5.284   7.881
  442   1HB   MET  50           HB1      MET  50  -0.485   4.607   5.393
  443   2HB   MET  50           HB2      MET  50   0.590   3.328   5.998
  444   1HG   MET  50           HG1      MET  50  -1.300   2.680   7.588
  445   2HG   MET  50           HG2      MET  50  -2.336   3.783   6.673
  446   1HE   MET  50           HE3      MET  50  -2.742   3.555   4.058
  447   2HE   MET  50           HE2      MET  50  -1.027   3.264   3.685
  448   3HE   MET  50           HE1      MET  50  -2.268   2.141   3.089
  449    H    LYS  51           H        LYS  51   2.714   4.670   7.748
  450    HA   LYS  51           HA       LYS  51   3.066   2.339   9.180
  451   1HB   LYS  51           H        LYS  51   4.882   3.723   8.245
  452   2HB   LYS  51           H        LYS  51   4.596   4.959   9.487
  453   1HG   LYS  51           H        LYS  51   5.139   3.304  11.257
  454   2HG   LYS  51           H        LYS  51   5.418   2.062  10.015
  455   1HD   LYS  51           H        LYS  51   6.924   4.586   9.565
  456   2HD   LYS  51           H        LYS  51   7.358   3.745  11.070
  457   1HE   LYS  51           H        LYS  51   8.799   2.895   9.331
  458   2HE   LYS  51           H        LYS  51   7.629   1.619   9.725
  459   1HZ   LYS  51           H        LYS  51   6.362   2.290   7.810
  460   2HZ   LYS  51           H        LYS  51   7.457   3.469   7.448
  461   3HZ   LYS  51           H        LYS  51   7.903   1.879   7.375
  462    H    LYS  52           H        LYS  52   2.284   5.604  10.543
  463    HA   LYS  52           HA       LYS  52   1.275   4.246  12.963
  464   1HB   LYS  52           H        LYS  52   2.619   5.419  14.518
  465   2HB   LYS  52           H        LYS  52   3.758   4.821  13.298
  466   1HG   LYS  52           H        LYS  52   2.586   7.637  13.161
  467   2HG   LYS  52           H        LYS  52   4.038   7.266  14.102
  468   1HD   LYS  52           H        LYS  52   5.321   7.290  12.258
  469   2HD   LYS  52           H        LYS  52   4.272   6.116  11.442
  470   1HE   LYS  52           H        LYS  52   2.753   7.902  10.731
  471   2HE   LYS  52           H        LYS  52   3.680   9.098  11.659
  472   1HZ   LYS  52           H        LYS  52   5.566   8.573  10.232
  473   2HZ   LYS  52           H        LYS  52   4.608   7.590   9.312
  474   3HZ   LYS  52           H        LYS  52   4.291   9.207   9.402
  475    H    LEU  53           H        LEU  53   0.378   5.942  10.537
  476    HA   LEU  53           HA       LEU  53  -1.470   7.269  10.221
  477   1HB   LEU  53           HB1      LEU  53  -2.089   6.643  12.687
  478   2HB   LEU  53           HB2      LEU  53  -1.424   8.245  13.086
  479    HG   LEU  53           HG       LEU  53  -2.965   9.098  11.135
  480   1HD1  LEU  53           HD11     LEU  53  -4.308   6.458  11.887
  481   2HD1  LEU  53           HD12     LEU  53  -5.029   7.737  10.882
  482   3HD1  LEU  53           HD13     LEU  53  -3.601   6.851  10.302
  483   1HD2  LEU  53           HD21     LEU  53  -4.098   8.107  13.791
  484   2HD2  LEU  53           HD23     LEU  53  -3.274   9.662  13.516
  485   3HD2  LEU  53           HD22     LEU  53  -4.846   9.340  12.747
   
  No H/Q in entry =         485
  Start of MODEL    4
    1   1H    ARG   1           H1       ARG   1  -5.686  18.153   1.017
    2   2H    ARG   1           H2       ARG   1  -4.661  17.401   2.069
    3   3H    ARG   1           H3       ARG   1  -4.700  16.944   0.485
    4    HA   ARG   1           HA       ARG   1  -5.816  15.326   1.779
    5   1HB   ARG   1           H        ARG   1  -8.012  16.116   2.882
    6   2HB   ARG   1           H        ARG   1  -6.488  16.490   3.715
    7   1HG   ARG   1           H        ARG   1  -6.519  18.779   2.944
    8   2HG   ARG   1           H        ARG   1  -7.861  18.454   1.824
    9   1HD   ARG   1           H        ARG   1  -8.029  18.190   4.857
   10   2HD   ARG   1           H        ARG   1  -8.573  19.612   3.945
   11    HE   ARG   1           H        ARG   1  -9.933  17.046   4.203
   12   1HH1  ARG   1           H        ARG   1  -9.521  19.924   2.171
   13   2HH1  ARG   1           H        ARG   1 -11.089  19.777   1.413
   14   1HH2  ARG   1           H        ARG   1 -11.991  16.852   3.182
   15   2HH2  ARG   1           H        ARG   1 -12.492  18.022   1.984
   16    H    LYS   2           H        LYS   2  -5.809  15.030  -0.617
   17    HA   LYS   2           HA       LYS   2  -8.124  16.030  -2.097
   18   1HB   LYS   2           H        LYS   2  -5.951  14.004  -2.785
   19   2HB   LYS   2           H        LYS   2  -7.174  14.618  -3.922
   20   1HG   LYS   2           H        LYS   2  -6.340  16.975  -3.339
   21   2HG   LYS   2           H        LYS   2  -4.964  16.188  -2.531
   22   1HD   LYS   2           H        LYS   2  -5.755  15.751  -5.451
   23   2HD   LYS   2           H        LYS   2  -4.468  16.851  -4.901
   24   1HE   LYS   2           H        LYS   2  -3.369  14.871  -3.764
   25   2HE   LYS   2           H        LYS   2  -4.576  13.824  -4.542
   26   1HZ   LYS   2           H        LYS   2  -3.796  14.609  -6.660
   27   2HZ   LYS   2           H        LYS   2  -2.670  15.573  -5.934
   28   3HZ   LYS   2           H        LYS   2  -2.560  13.933  -5.801
   29    H    ARG   3           H        ARG   3  -9.488  14.386  -3.339
   30    HA   ARG   3           HA       ARG   3 -10.640  12.513  -1.404
   31   1HB   ARG   3           H        ARG   3 -11.418  13.146  -4.286
   32   2HB   ARG   3           H        ARG   3 -12.401  12.262  -3.095
   33   1HG   ARG   3           H        ARG   3 -12.216  14.353  -1.606
   34   2HG   ARG   3           H        ARG   3 -11.593  15.196  -3.044
   35   1HD   ARG   3           H        ARG   3 -14.261  13.725  -2.871
   36   2HD   ARG   3           H        ARG   3 -14.051  15.487  -2.771
   37    HE   ARG   3           H        ARG   3 -12.816  14.615  -5.162
   38   1HH1  ARG   3           H        ARG   3 -16.039  14.803  -3.704
   39   2HH1  ARG   3           H        ARG   3 -16.871  14.962  -5.233
   40   1HH2  ARG   3           H        ARG   3 -13.923  14.821  -7.179
   41   2HH2  ARG   3           H        ARG   3 -15.664  14.974  -7.214
   42    H    GLN   4           H        GLN   4 -11.580  10.508  -3.181
   43    HA   GLN   4           HA       GLN   4 -10.992   8.451  -3.977
   44   1HB   GLN   4           HB2      GLN   4  -8.592   9.940  -5.132
   45   2HB   GLN   4           HB1      GLN   4  -9.179   8.339  -5.636
   46   1HG   GLN   4           HG2      GLN   4 -11.393   9.389  -6.208
   47   2HG   GLN   4           HG1      GLN   4 -10.693  10.980  -5.837
   48   1HE2  GLN   4           HE22     GLN   4  -8.403  10.898  -8.684
   49   2HE2  GLN   4           HE21     GLN   4  -8.411  11.291  -6.980
   50    H    ALA   5           H        ALA   5 -10.652   8.248  -1.501
   51    HA   ALA   5           HA       ALA   5  -7.922   7.973  -0.569
   52   1HB   ALA   5           HB3      ALA   5  -9.834   8.586   0.903
   53   2HB   ALA   5           HB1      ALA   5 -10.549   6.979   0.619
   54   3HB   ALA   5           HB2      ALA   5  -8.993   7.124   1.472
   55    H    TRP   6           H        TRP   6  -7.470   5.746   0.642
   56    HA   TRP   6           HA       TRP   6  -7.279   3.745  -1.466
   57   1HB   TRP   6           HB2      TRP   6  -6.319   4.061   1.374
   58   2HB   TRP   6           HB1      TRP   6  -6.279   2.469   0.609
   59    HD1  TRP   6           HD1      TRP   6  -5.220   5.936  -0.722
   60    HE1  TRP   6           HE1      TRP   6  -2.818   5.788  -1.638
   61    HE3  TRP   6           HE3      TRP   6  -4.268   1.036   0.342
   62    HZ2  TRP   6           HZ2      TRP   6  -0.770   3.799  -1.865
   63    HZ3  TRP   6           HZ3      TRP   6  -2.079   0.042  -0.248
   64    HH2  TRP   6           HH2      TRP   6  -0.323   1.419  -1.328
   65    H    LEU   7           H        LEU   7  -7.900   1.476  -1.111
   66    HA   LEU   7           HA       LEU   7 -10.578   1.283   0.131
   67   1HB   LEU   7           HB1      LEU   7  -8.987  -0.699  -1.555
   68   2HB   LEU   7           HB2      LEU   7 -10.682  -0.875  -1.058
   69    HG   LEU   7           HG       LEU   7  -9.615   1.420  -2.774
   70   1HD1  LEU   7           HD12     LEU   7  -9.466  -0.757  -3.944
   71   2HD1  LEU   7           HD13     LEU   7 -11.174  -1.080  -3.562
   72   3HD1  LEU   7           HD11     LEU   7 -10.743   0.265  -4.645
   73   1HD2  LEU   7           HD23     LEU   7 -12.406   0.535  -1.921
   74   2HD2  LEU   7           HD22     LEU   7 -11.615   2.094  -1.591
   75   3HD2  LEU   7           HD21     LEU   7 -12.106   1.681  -3.249
   76    H    TRP   8           H        TRP   8 -11.037  -0.175   1.812
   77    HA   TRP   8           HA       TRP   8  -9.144  -0.506   3.831
   78   1HB   TRP   8           HB2      TRP   8 -10.724  -2.104   4.802
   79   2HB   TRP   8           HB1      TRP   8 -11.563  -0.691   4.150
   80    HD1  TRP   8           HD1      TRP   8 -13.084  -1.052   2.013
   81    HE1  TRP   8           HE1      TRP   8 -14.235  -3.113   0.983
   82    HE3  TRP   8           HE3      TRP   8 -10.439  -4.729   4.402
   83    HZ2  TRP   8           HZ2      TRP   8 -14.033  -5.954   1.178
   84    HZ3  TRP   8           HZ3      TRP   8 -10.955  -7.112   3.949
   85    HH2  TRP   8           HH2      TRP   8 -12.745  -7.730   2.343
   86    H    GLU   9           H        GLU   9  -9.961  -2.708   1.130
   87    HA   GLU   9           HA       GLU   9  -8.457  -4.942   2.032
   88   1HB   GLU   9           H        GLU   9 -10.198  -5.036   0.272
   89   2HB   GLU   9           H        GLU   9  -9.182  -4.040  -0.792
   90   1HG   GLU   9           H        GLU   9  -8.972  -6.418  -1.384
   91   2HG   GLU   9           H        GLU   9  -7.431  -5.798  -0.768
   92    H    GLU  10           H        GLU  10  -7.610  -2.208  -0.170
   93    HA   GLU  10           HA       GLU  10  -4.971  -3.086  -0.751
   94   1HB   GLU  10           H        GLU  10  -6.225  -0.312  -0.683
   95   2HB   GLU  10           H        GLU  10  -4.594  -0.651  -1.302
   96   1HG   GLU  10           H        GLU  10  -5.590  -2.289  -2.916
   97   2HG   GLU  10           H        GLU  10  -7.206  -1.809  -2.357
   98    H    ASP  11           H        ASP  11  -6.182  -0.738   1.728
   99    HA   ASP  11           HA       ASP  11  -3.686  -0.097   2.868
  100   1HB   ASP  11           H        ASP  11  -6.466  -0.295   4.095
  101   2HB   ASP  11           H        ASP  11  -5.066   0.408   4.931
  102    H    LYS  12           H        LYS  12  -5.999  -2.716   3.736
  103    HA   LYS  12           HA       LYS  12  -4.536  -3.760   5.923
  104   1HB   LYS  12           H        LYS  12  -6.840  -4.370   5.522
  105   2HB   LYS  12           H        LYS  12  -6.438  -5.042   3.925
  106   1HG   LYS  12           H        LYS  12  -5.054  -6.795   4.984
  107   2HG   LYS  12           H        LYS  12  -5.367  -6.087   6.586
  108   1HD   LYS  12           H        LYS  12  -7.083  -7.565   6.655
  109   2HD   LYS  12           H        LYS  12  -7.921  -6.378   5.635
  110   1HE   LYS  12           H        LYS  12  -6.279  -8.746   4.620
  111   2HE   LYS  12           H        LYS  12  -8.052  -8.692   4.705
  112   1HZ   LYS  12           H        LYS  12  -7.986  -6.824   3.193
  113   2HZ   LYS  12           H        LYS  12  -6.343  -6.944   3.077
  114   3HZ   LYS  12           H        LYS  12  -7.302  -8.169   2.525
  115    H    ASN  13           H        ASN  13  -4.579  -4.775   2.463
  116    HA   ASN  13           HA       ASN  13  -2.664  -6.854   2.742
  117   1HB   ASN  13           HB2      ASN  13  -3.465  -5.121   0.372
  118   2HB   ASN  13           HB1      ASN  13  -2.435  -6.559   0.258
  119   1HD2  ASN  13           HD22     ASN  13  -5.929  -7.652  -0.485
  120   2HD2  ASN  13           HD21     ASN  13  -4.663  -6.693  -1.239
  121    H    LEU  14           H        LEU  14  -2.327  -3.356   2.183
  122    HA   LEU  14           HA       LEU  14   0.455  -3.416   1.518
  123   1HB   LEU  14           HB2      LEU  14  -1.071  -1.528   1.009
  124   2HB   LEU  14           HB1      LEU  14  -1.271  -1.222   2.746
  125    HG   LEU  14           HG       LEU  14   1.339  -1.008   2.784
  126   1HD1  LEU  14           HD11     LEU  14   0.730  -0.611  -0.179
  127   2HD1  LEU  14           HD12     LEU  14   2.265  -0.187   0.615
  128   3HD1  LEU  14           HD13     LEU  14   1.752  -1.887   0.522
  129   1HD2  LEU  14           HD22     LEU  14  -0.425   1.044   1.391
  130   2HD2  LEU  14           HD21     LEU  14  -0.210   0.864   3.144
  131   3HD2  LEU  14           HD23     LEU  14   1.154   1.383   2.129
  132    H    ARG  15           H        ARG  15  -1.371  -2.944   4.611
  133    HA   ARG  15           HA       ARG  15   1.014  -2.409   6.127
  134   1HB   ARG  15           H        ARG  15  -1.375  -1.765   6.706
  135   2HB   ARG  15           H        ARG  15  -1.641  -3.461   7.175
  136   1HG   ARG  15           H        ARG  15  -0.047  -3.340   8.938
  137   2HG   ARG  15           H        ARG  15   0.687  -1.856   8.291
  138   1HD   ARG  15           H        ARG  15  -2.180  -2.014   9.304
  139   2HD   ARG  15           H        ARG  15  -0.813  -1.517  10.320
  140    HE   ARG  15           H        ARG  15  -2.115   0.037   8.202
  141   1HH1  ARG  15           H        ARG  15   0.920  -0.421   9.974
  142   2HH1  ARG  15           H        ARG  15   1.374   1.264   9.904
  143   1HH2  ARG  15           H        ARG  15  -1.534   2.277   8.176
  144   2HH2  ARG  15           H        ARG  15  -0.006   2.801   8.856
  145    H    SER  16           H        SER  16  -1.034  -5.345   5.742
  146    HA   SER  16           HA       SER  16   0.568  -7.000   7.431
  147   1HB   SER  16           HB2      SER  16  -1.171  -7.869   5.087
  148   2HB   SER  16           HB1      SER  16  -0.749  -8.808   6.538
  149    HG   SER  16           HG       SER  16  -2.394  -6.507   6.337
  150    H    GLY  17           H        GLY  17   0.495  -6.497   3.869
  151   1HA   GLY  17           HA1      GLY  17   2.392  -8.460   3.170
  152   2HA   GLY  17           HA2      GLY  17   2.009  -7.001   2.232
  153    H    VAL  18           H        VAL  18   2.937  -4.884   3.473
  154    HA   VAL  18           HA       VAL  18   5.733  -5.031   3.129
  155    HB   VAL  18           HB       VAL  18   4.012  -3.000   4.613
  156   1HG1  VAL  18           HG11     VAL  18   6.948  -3.028   3.841
  157   2HG1  VAL  18           HG13     VAL  18   6.056  -1.511   4.071
  158   3HG1  VAL  18           HG12     VAL  18   6.229  -2.651   5.424
  159   1HG2  VAL  18           HG21     VAL  18   3.567  -3.345   2.152
  160   2HG2  VAL  18           HG22     VAL  18   4.201  -1.728   2.526
  161   3HG2  VAL  18           HG23     VAL  18   5.274  -2.965   1.830
  162    H    ARG  19           H        ARG  19   3.744  -5.378   6.101
  163    HA   ARG  19           HA       ARG  19   5.889  -5.256   7.963
  164   1HB   ARG  19           H        ARG  19   3.498  -5.118   8.584
  165   2HB   ARG  19           H        ARG  19   3.262  -6.804   8.080
  166   1HG   ARG  19           H        ARG  19   3.545  -6.988  10.413
  167   2HG   ARG  19           H        ARG  19   5.171  -7.344   9.798
  168   1HD   ARG  19           H        ARG  19   5.451  -5.794  11.605
  169   2HD   ARG  19           H        ARG  19   5.708  -4.866  10.112
  170    HE   ARG  19           H        ARG  19   2.970  -4.656  10.747
  171   1HH1  ARG  19           H        ARG  19   6.116  -3.709  12.064
  172   2HH1  ARG  19           H        ARG  19   5.487  -2.347  12.959
  173   1HH2  ARG  19           H        ARG  19   2.136  -2.875  11.959
  174   2HH2  ARG  19           H        ARG  19   3.218  -1.855  12.877
  175    H    LYS  20           H        LYS  20   4.394  -8.056   6.240
  176    HA   LYS  20           HA       LYS  20   6.133  -9.988   7.495
  177   1HB   LYS  20           H        LYS  20   4.277 -10.055   5.093
  178   2HB   LYS  20           H        LYS  20   5.202 -11.475   5.638
  179   1HG   LYS  20           H        LYS  20   4.178 -11.182   7.929
  180   2HG   LYS  20           H        LYS  20   3.148  -9.900   7.258
  181   1HD   LYS  20           H        LYS  20   3.247 -12.778   6.236
  182   2HD   LYS  20           H        LYS  20   2.004 -12.130   7.332
  183   1HE   LYS  20           H        LYS  20   1.488 -10.376   5.573
  184   2HE   LYS  20           H        LYS  20   2.583 -11.240   4.473
  185   1HZ   LYS  20           H        LYS  20   1.200 -13.179   4.745
  186   2HZ   LYS  20           H        LYS  20   0.166 -12.344   5.722
  187   3HZ   LYS  20           H        LYS  20   0.338 -11.909   4.138
  188    H    TYR  21           H        TYR  21   5.965  -8.801   4.070
  189    HA   TYR  21           HA       TYR  21   8.345 -10.151   3.281
  190   1HB   TYR  21           HB2      TYR  21   6.717  -7.873   2.143
  191   2HB   TYR  21           HB1      TYR  21   8.218  -8.405   1.367
  192    HD1  TYR  21           HD1      TYR  21   8.434 -10.766   0.535
  193    HD2  TYR  21           HD2      TYR  21   4.689  -9.173   1.944
  194    HE1  TYR  21           HE1      TYR  21   7.219 -12.630  -0.572
  195    HE2  TYR  21           HE2      TYR  21   3.481 -11.041   0.840
  196    HH   TYR  21           HH       TYR  21   3.655 -12.927  -0.442
  197    H    GLY  22           H        GLY  22   7.788  -6.715   4.269
  198   1HA   GLY  22           HA1      GLY  22   9.660  -5.921   5.794
  199   2HA   GLY  22           HA2      GLY  22  10.759  -6.417   4.490
  200    H    GLU  23           H        GLU  23  10.377  -3.750   5.654
  201    HA   GLU  23           HA       GLU  23   8.949  -2.161   3.662
  202   1HB   GLU  23           H        GLU  23   9.050  -1.579   6.093
  203   2HB   GLU  23           H        GLU  23  10.805  -1.332   5.936
  204   1HG   GLU  23           H        GLU  23  10.482   0.489   4.376
  205   2HG   GLU  23           H        GLU  23   8.744   0.142   4.247
  206    H    GLY  24           H        GLY  24   9.883  -2.236   1.655
  207   1HA   GLY  24           HA2      GLY  24  12.090  -0.708   0.987
  208   2HA   GLY  24           HA1      GLY  24  12.747  -2.338   1.264
  209    H    ASN  25           H        ASN  25  10.797  -4.017   0.332
  210    HA   ASN  25           HA       ASN  25  11.025  -3.619  -2.556
  211   1HB   ASN  25           HB2      ASN  25  11.082  -5.819  -0.932
  212   2HB   ASN  25           HB1      ASN  25   9.386  -5.857  -1.457
  213   1HD2  ASN  25           HD22     ASN  25  10.370  -6.075  -5.026
  214   2HD2  ASN  25           HD21     ASN  25   9.266  -5.187  -4.002
  215    H    TRP  26           H        TRP  26   9.316  -3.276  -4.006
  216    HA   TRP  26           HA       TRP  26   6.651  -2.675  -2.794
  217   1HB   TRP  26           HB2      TRP  26   7.946  -1.095  -5.033
  218   2HB   TRP  26           HB1      TRP  26   6.478  -0.698  -4.126
  219    HD1  TRP  26           HD1      TRP  26   9.924   0.282  -4.336
  220    HE1  TRP  26           HE1      TRP  26  10.818   1.418  -2.204
  221    HE3  TRP  26           HE3      TRP  26   6.188  -1.032  -1.091
  222    HZ2  TRP  26           HZ2      TRP  26  10.023   1.706   0.520
  223    HZ3  TRP  26           HZ3      TRP  26   6.304  -0.315   1.279
  224    HH2  TRP  26           HH2      TRP  26   8.218   1.047   2.088
  225    H    SER  27           H        SER  27   8.484  -3.396  -5.821
  226    HA   SER  27           HA       SER  27   6.261  -4.006  -7.454
  227   1HB   SER  27           HB2      SER  27   8.562  -3.709  -8.298
  228   2HB   SER  27           HB1      SER  27   9.071  -5.195  -7.461
  229    HG   SER  27           HG       SER  27   7.088  -4.999  -9.490
  230    H    LYS  28           H        LYS  28   8.219  -6.106  -5.289
  231    HA   LYS  28           HA       LYS  28   6.920  -8.551  -5.833
  232   1HB   LYS  28           H        LYS  28   9.063  -8.256  -4.597
  233   2HB   LYS  28           H        LYS  28   8.162  -7.579  -3.222
  234   1HG   LYS  28           H        LYS  28   6.883  -9.688  -3.022
  235   2HG   LYS  28           H        LYS  28   7.774 -10.374  -4.392
  236   1HD   LYS  28           H        LYS  28   9.021  -9.412  -1.768
  237   2HD   LYS  28           H        LYS  28   8.679 -11.109  -2.170
  238   1HE   LYS  28           H        LYS  28  10.629  -9.245  -3.596
  239   2HE   LYS  28           H        LYS  28  11.028 -10.660  -2.607
  240   1HZ   LYS  28           H        LYS  28   9.840 -12.002  -4.233
  241   2HZ   LYS  28           H        LYS  28   9.617 -10.670  -5.180
  242   3HZ   LYS  28           H        LYS  28  11.141 -11.223  -4.882
  243    H    ILE  29           H        ILE  29   6.188  -5.963  -3.442
  244    HA   ILE  29           HA       ILE  29   4.057  -7.298  -2.129
  245    HB   ILE  29           HB       ILE  29   4.270  -4.298  -2.614
  246   1HG1  ILE  29           HG12     ILE  29   6.467  -5.049  -1.834
  247   2HG1  ILE  29           HG11     ILE  29   5.624  -4.210  -0.522
  248   1HG2  ILE  29           HG23     ILE  29   3.049  -6.012  -0.411
  249   2HG2  ILE  29           HG21     ILE  29   3.240  -4.248  -0.309
  250   3HG2  ILE  29           HG22     ILE  29   2.196  -4.959  -1.558
  251   1HD1  ILE  29           HD12     ILE  29   4.947  -6.415   0.431
  252   2HD1  ILE  29           HD11     ILE  29   5.851  -7.235  -0.863
  253   3HD1  ILE  29           HD13     ILE  29   6.710  -6.234   0.329
  254    H    LEU  30           H        LEU  30   4.124  -5.138  -5.008
  255    HA   LEU  30           HA       LEU  30   1.301  -5.072  -5.401
  256   1HB   LEU  30           HB2      LEU  30   2.891  -3.464  -6.397
  257   2HB   LEU  30           HB1      LEU  30   3.580  -4.758  -7.401
  258    HG   LEU  30           HG       LEU  30   0.627  -4.549  -7.596
  259   1HD1  LEU  30           HD12     LEU  30   2.402  -2.265  -8.560
  260   2HD1  LEU  30           HD13     LEU  30   0.695  -2.500  -9.007
  261   3HD1  LEU  30           HD11     LEU  30   1.132  -2.162  -7.316
  262   1HD2  LEU  30           HD23     LEU  30   2.047  -5.946  -9.087
  263   2HD2  LEU  30           HD21     LEU  30   1.160  -4.712 -10.007
  264   3HD2  LEU  30           HD22     LEU  30   2.888  -4.483  -9.649
  265    H    LEU  31           H        LEU  31   3.872  -7.228  -6.705
  266    HA   LEU  31           HA       LEU  31   2.302  -8.644  -8.555
  267   1HB   LEU  31           HB2      LEU  31   4.752  -9.297  -6.910
  268   2HB   LEU  31           HB1      LEU  31   4.001 -10.555  -7.914
  269    HG   LEU  31           HG       LEU  31   4.616  -7.824  -9.086
  270   1HD1  LEU  31           HD13     LEU  31   6.525 -10.186  -8.798
  271   2HD1  LEU  31           HD11     LEU  31   6.800  -8.785  -9.861
  272   3HD1  LEU  31           HD12     LEU  31   6.728  -8.564  -8.098
  273   1HD2  LEU  31           HD21     LEU  31   3.201  -9.416 -10.368
  274   2HD2  LEU  31           HD23     LEU  31   4.766  -9.157 -11.170
  275   3HD2  LEU  31           HD22     LEU  31   4.478 -10.648 -10.243
  276    H    HIS  32           H        HIS  32   2.857  -9.328  -5.050
  277    HA   HIS  32           HA       HIS  32   1.090 -11.631  -5.086
  278   1HB   HIS  32           HB2      HIS  32   2.169  -9.979  -2.768
  279   2HB   HIS  32           HB1      HIS  32   1.407 -11.576  -2.646
  280    HD1  HIS  32           HD1      HIS  32   2.785 -13.269  -4.706
  281    HD2  HIS  32           HD2      HIS  32   4.845 -10.395  -2.472
  282    HE1  HIS  32           HE1      HIS  32   5.252 -13.894  -4.732
  283    H    TYR  33           H        TYR  33   0.849  -8.403  -3.475
  284    HA   TYR  33           HA       TYR  33  -2.080  -8.751  -3.278
  285   1HB   TYR  33           HB2      TYR  33  -0.286  -6.525  -2.250
  286   2HB   TYR  33           HB1      TYR  33  -1.972  -6.830  -1.808
  287    HD1  TYR  33           HD1      TYR  33  -2.532  -9.011  -0.563
  288    HD2  TYR  33           HD2      TYR  33   1.493  -7.576  -1.095
  289    HE1  TYR  33           HE1      TYR  33  -1.763 -10.463   1.303
  290    HE2  TYR  33           HE2      TYR  33   2.258  -9.027   0.761
  291    HH   TYR  33           HH       TYR  33   1.670 -10.583   2.329
  292    H    LYS  34           H        LYS  34  -2.938  -8.385  -5.296
  293    HA   LYS  34           HA       LYS  34  -1.985  -6.406  -7.122
  294   1HB   LYS  34           H        LYS  34  -4.663  -7.834  -6.874
  295   2HB   LYS  34           H        LYS  34  -4.158  -6.864  -8.278
  296   1HG   LYS  34           H        LYS  34  -2.137  -8.359  -8.510
  297   2HG   LYS  34           H        LYS  34  -2.797  -9.386  -7.217
  298   1HD   LYS  34           H        LYS  34  -4.274  -8.720  -9.807
  299   2HD   LYS  34           H        LYS  34  -3.328 -10.204  -9.547
  300   1HE   LYS  34           H        LYS  34  -4.782 -10.676  -7.520
  301   2HE   LYS  34           H        LYS  34  -5.801  -9.303  -8.005
  302   1HZ   LYS  34           H        LYS  34  -6.200 -10.411 -10.080
  303   2HZ   LYS  34           H        LYS  34  -5.256 -11.687  -9.631
  304   3HZ   LYS  34           H        LYS  34  -6.655 -11.369  -8.817
  305    H    PHE  35           H        PHE  35  -2.131  -4.250  -6.937
  306    HA   PHE  35           HA       PHE  35  -4.227  -3.069  -5.198
  307   1HB   PHE  35           HB2      PHE  35  -1.714  -1.946  -6.491
  308   2HB   PHE  35           HB1      PHE  35  -2.856  -0.988  -5.538
  309    HD1  PHE  35           HD1      PHE  35  -3.309  -1.705  -3.108
  310    HD2  PHE  35           HD2      PHE  35   0.027  -3.140  -5.417
  311    HE1  PHE  35           HE1      PHE  35  -2.141  -2.355  -1.017
  312    HE2  PHE  35           HE2      PHE  35   1.196  -3.787  -3.326
  313    HZ   PHE  35           HZ       PHE  35   0.113  -3.396  -1.123
  314    H    ASN  36           H        ASN  36  -4.878  -0.733  -6.170
  315    HA   ASN  36           HA       ASN  36  -6.513  -1.329  -8.465
  316   1HB   ASN  36           HB1      ASN  36  -7.279   0.222  -6.776
  317   2HB   ASN  36           HB2      ASN  36  -5.845   1.248  -6.986
  318   1HD2  ASN  36           HD22     ASN  36  -8.856   1.286  -9.856
  319   2HD2  ASN  36           HD21     ASN  36  -8.641  -0.106  -8.818
  320    H    ASN  37           H        ASN  37  -4.179   1.395  -8.164
  321    HA   ASN  37           HA       ASN  37  -2.822   0.618 -10.651
  322   1HB   ASN  37           HB1      ASN  37  -4.962   1.975 -11.219
  323   2HB   ASN  37           HB2      ASN  37  -4.122   3.362 -10.497
  324   1HD2  ASN  37           HD22     ASN  37  -1.656   3.617 -13.116
  325   2HD2  ASN  37           HD21     ASN  37  -1.897   3.859 -11.396
  326    H    ARG  38           H        ARG  38  -1.684   0.437  -8.324
  327    HA   ARG  38           HA       ARG  38  -0.334   3.012  -7.693
  328   1HB   ARG  38           H        ARG  38  -0.505   0.430  -6.088
  329   2HB   ARG  38           H        ARG  38   0.095   2.011  -5.524
  330   1HG   ARG  38           H        ARG  38  -2.204   2.961  -6.084
  331   2HG   ARG  38           H        ARG  38  -2.749   1.292  -6.370
  332   1HD   ARG  38           H        ARG  38  -1.924   0.741  -4.028
  333   2HD   ARG  38           H        ARG  38  -1.718   2.485  -3.781
  334    HE   ARG  38           H        ARG  38  -4.220   0.980  -3.842
  335   1HH1  ARG  38           H        ARG  38  -2.738   4.155  -4.410
  336   2HH1  ARG  38           H        ARG  38  -4.216   5.042  -4.123
  337   1HH2  ARG  38           H        ARG  38  -6.157   2.160  -3.451
  338   2HH2  ARG  38           H        ARG  38  -6.151   3.913  -3.536
  339    H    THR  39           H        THR  39   1.256   3.062  -9.277
  340    HA   THR  39           HA       THR  39   2.827   0.677  -9.880
  341    HB   THR  39           HB       THR  39   3.975   2.271 -11.457
  342    HG1  THR  39           HG1      THR  39   3.638   4.155 -10.218
  343   1HG2  THR  39           HG21     THR  39   1.939   0.975 -12.103
  344   2HG2  THR  39           HG23     THR  39   0.923   2.324 -11.542
  345   3HG2  THR  39           HG22     THR  39   2.021   2.552 -12.923
  346    H    SER  40           H        SER  40   3.654   0.372  -7.666
  347    HA   SER  40           HA       SER  40   5.329   0.371  -6.141
  348   1HB   SER  40           HB2      SER  40   7.581   0.687  -6.922
  349   2HB   SER  40           HB1      SER  40   6.634  -0.061  -8.225
  350    HG   SER  40           HG       SER  40   6.429   2.032  -9.144
  351    H    VAL  41           H        VAL  41   6.135   3.512  -7.760
  352    HA   VAL  41           HA       VAL  41   6.979   4.879  -5.499
  353    HB   VAL  41           HB       VAL  41   5.441   5.933  -7.916
  354   1HG1  VAL  41           HG12     VAL  41   7.127   7.353  -5.805
  355   2HG1  VAL  41           HG11     VAL  41   6.622   8.091  -7.343
  356   3HG1  VAL  41           HG13     VAL  41   5.399   7.610  -6.146
  357   1HG2  VAL  41           HG23     VAL  41   8.419   5.653  -7.304
  358   2HG2  VAL  41           HG22     VAL  41   7.501   4.742  -8.526
  359   3HG2  VAL  41           HG21     VAL  41   7.746   6.491  -8.722
  360    H    MET  42           H        MET  42   3.621   4.517  -6.726
  361    HA   MET  42           HA       MET  42   2.335   6.223  -4.890
  362   1HB   MET  42           HB1      MET  42   1.475   3.700  -6.342
  363   2HB   MET  42           HB2      MET  42   0.356   4.637  -5.325
  364   1HG   MET  42           HG2      MET  42   1.969   5.822  -7.618
  365   2HG   MET  42           HG1      MET  42   0.311   5.226  -7.787
  366   1HE   MET  42           HE1      MET  42  -0.426   7.502  -8.824
  367   2HE   MET  42           HE3      MET  42  -0.129   9.087  -8.074
  368   3HE   MET  42           HE2      MET  42   1.238   8.112  -8.662
  369    H    LEU  43           H        LEU  43   3.114   2.712  -4.643
  370    HA   LEU  43           HA       LEU  43   1.927   2.303  -2.090
  371   1HB   LEU  43           HB2      LEU  43   4.351   0.886  -3.289
  372   2HB   LEU  43           HB1      LEU  43   3.285   0.267  -2.011
  373    HG   LEU  43           HG       LEU  43   2.416   0.902  -4.873
  374   1HD1  LEU  43           HD11     LEU  43   3.906  -1.072  -4.712
  375   2HD1  LEU  43           HD12     LEU  43   2.860  -1.754  -3.446
  376   3HD1  LEU  43           HD13     LEU  43   2.238  -1.549  -5.100
  377   1HD2  LEU  43           HD23     LEU  43   0.974  -0.273  -2.463
  378   2HD2  LEU  43           HD22     LEU  43   0.552   1.200  -3.366
  379   3HD2  LEU  43           HD21     LEU  43   0.363  -0.391  -4.127
  380    H    LYS  44           H        LYS  44   5.274   3.174  -3.068
  381    HA   LYS  44           HA       LYS  44   6.447   3.121  -0.502
  382   1HB   LYS  44           H        LYS  44   7.610   3.274  -2.737
  383   2HB   LYS  44           H        LYS  44   7.114   4.980  -2.822
  384   1HG   LYS  44           H        LYS  44   8.235   4.929  -0.327
  385   2HG   LYS  44           H        LYS  44   9.205   3.679  -1.130
  386   1HD   LYS  44           H        LYS  44   8.772   6.550  -2.091
  387   2HD   LYS  44           H        LYS  44  10.268   5.889  -1.395
  388   1HE   LYS  44           H        LYS  44   8.959   5.043  -4.021
  389   2HE   LYS  44           H        LYS  44  10.457   5.977  -3.838
  390   1HZ   LYS  44           H        LYS  44  11.391   4.065  -2.701
  391   2HZ   LYS  44           H        LYS  44  10.016   3.202  -2.994
  392   3HZ   LYS  44           H        LYS  44  10.951   3.715  -4.253
  393    H    ASP  45           H        ASP  45   5.227   6.004  -2.327
  394    HA   ASP  45           HA       ASP  45   5.706   7.873  -0.274
  395   1HB   ASP  45           H        ASP  45   5.298   8.501  -2.596
  396   2HB   ASP  45           H        ASP  45   3.637   7.874  -2.504
  397    H    ARG  46           H        ARG  46   2.671   6.058  -1.047
  398    HA   ARG  46           HA       ARG  46   1.186   7.364   1.037
  399   1HB   ARG  46           H        ARG  46   0.719   4.764  -0.464
  400   2HB   ARG  46           H        ARG  46  -0.468   5.533   0.609
  401   1HG   ARG  46           H        ARG  46   0.760   6.817  -1.887
  402   2HG   ARG  46           H        ARG  46  -0.866   6.121  -1.788
  403   1HD   ARG  46           H        ARG  46   0.208   8.561  -0.322
  404   2HD   ARG  46           H        ARG  46  -1.077   8.509  -1.529
  405    HE   ARG  46           H        ARG  46  -1.258   7.503   1.280
  406   1HH1  ARG  46           H        ARG  46  -2.873   8.316  -1.790
  407   2HH1  ARG  46           H        ARG  46  -4.463   8.393  -1.074
  408   1HH2  ARG  46           H        ARG  46  -3.368   7.576   2.183
  409   2HH2  ARG  46           H        ARG  46  -4.749   7.936   1.174
  410    H    TRP  47           H        TRP  47   3.046   4.277   0.893
  411    HA   TRP  47           HA       TRP  47   2.230   3.333   3.446
  412   1HB   TRP  47           HB1      TRP  47   3.383   1.877   1.903
  413   2HB   TRP  47           HB2      TRP  47   4.804   2.932   1.900
  414    HD1  TRP  47           HD1      TRP  47   6.666   2.052   3.322
  415    HE1  TRP  47           HE1      TRP  47   6.962   0.646   5.462
  416    HE3  TRP  47           HE3      TRP  47   1.737   1.237   4.435
  417    HZ2  TRP  47           HZ2      TRP  47   5.287  -0.657   7.365
  418    HZ3  TRP  47           HZ3      TRP  47   1.127  -0.084   6.440
  419    HH2  TRP  47           HH2      TRP  47   2.893  -1.041   7.902
  420    H    ARG  48           H        ARG  48   4.921   5.481   2.424
  421    HA   ARG  48           HA       ARG  48   6.279   5.770   4.844
  422   1HB   ARG  48           H        ARG  48   7.063   6.752   2.759
  423   2HB   ARG  48           H        ARG  48   5.634   7.793   2.670
  424   1HG   ARG  48           H        ARG  48   6.380   8.827   4.888
  425   2HG   ARG  48           H        ARG  48   7.900   7.930   4.698
  426   1HD   ARG  48           H        ARG  48   7.969  10.321   3.838
  427   2HD   ARG  48           H        ARG  48   8.422   9.087   2.645
  428    HE   ARG  48           H        ARG  48   6.698   9.843   1.326
  429   1HH1  ARG  48           H        ARG  48   6.011  10.772   4.676
  430   2HH1  ARG  48           H        ARG  48   4.387  11.317   4.332
  431   1HH2  ARG  48           H        ARG  48   4.619  10.719   0.852
  432   2HH2  ARG  48           H        ARG  48   3.620  11.345   2.150
  433    H    THR  49           H        THR  49   3.376   7.583   3.685
  434    HA   THR  49           HA       THR  49   3.118   9.173   6.057
  435    HB   THR  49           HB       THR  49   0.997   8.360   4.020
  436    HG1  THR  49           HG1      THR  49   1.700  10.111   2.881
  437   1HG2  THR  49           HG21     THR  49   1.252  10.728   5.930
  438   2HG2  THR  49           HG22     THR  49   0.000  10.560   4.677
  439   3HG2  THR  49           HG23     THR  49   0.060   9.412   6.035
  440    H    MET  50           H        MET  50   1.600   6.087   4.965
  441    HA   MET  50           HA       MET  50  -0.154   5.802   7.203
  442   1HB   MET  50           HB2      MET  50   1.045   3.841   5.218
  443   2HB   MET  50           HB1      MET  50  -0.138   3.360   6.452
  444   1HG   MET  50           HG1      MET  50  -1.793   4.865   5.577
  445   2HG   MET  50           HG2      MET  50  -0.619   5.638   4.505
  446   1HE   MET  50           HE3      MET  50  -2.273   5.482   2.525
  447   2HE   MET  50           HE2      MET  50  -3.069   3.986   1.989
  448   3HE   MET  50           HE1      MET  50  -3.483   4.693   3.566
  449    H    LYS  51           H        LYS  51   3.298   5.245   6.835
  450    HA   LYS  51           HA       LYS  51   3.620   3.370   8.986
  451   1HB   LYS  51           H        LYS  51   5.276   4.814   7.102
  452   2HB   LYS  51           H        LYS  51   5.941   5.036   8.731
  453   1HG   LYS  51           H        LYS  51   5.090   2.294   7.752
  454   2HG   LYS  51           H        LYS  51   6.687   2.950   7.339
  455   1HD   LYS  51           H        LYS  51   5.743   2.991  10.217
  456   2HD   LYS  51           H        LYS  51   6.402   1.491   9.525
  457   1HE   LYS  51           H        LYS  51   7.883   4.131   9.269
  458   2HE   LYS  51           H        LYS  51   8.055   3.111  10.712
  459   1HZ   LYS  51           H        LYS  51   8.513   2.131   7.979
  460   2HZ   LYS  51           H        LYS  51   9.710   2.732   8.945
  461   3HZ   LYS  51           H        LYS  51   8.886   1.379   9.399
  462    H    LYS  52           H        LYS  52   3.913   6.954   8.740
  463    HA   LYS  52           HA       LYS  52   4.163   7.183  11.660
  464   1HB   LYS  52           H        LYS  52   5.422   8.609   9.948
  465   2HB   LYS  52           H        LYS  52   3.870   9.400   9.598
  466   1HG   LYS  52           H        LYS  52   3.806   9.622  12.281
  467   2HG   LYS  52           H        LYS  52   5.568   9.499  12.086
  468   1HD   LYS  52           H        LYS  52   5.166  11.822  11.959
  469   2HD   LYS  52           H        LYS  52   5.277  11.335  10.250
  470   1HE   LYS  52           H        LYS  52   2.841  11.271  10.061
  471   2HE   LYS  52           H        LYS  52   2.658  11.559  11.804
  472   1HZ   LYS  52           H        LYS  52   3.842  13.428   9.874
  473   2HZ   LYS  52           H        LYS  52   2.335  13.545  10.534
  474   3HZ   LYS  52           H        LYS  52   3.669  13.696  11.493
  475    H    LEU  53           H        LEU  53   1.935   5.946  11.627
  476    HA   LEU  53           HA       LEU  53  -0.402   7.503  10.968
  477   1HB   LEU  53           HB2      LEU  53  -1.645   5.685  11.798
  478   2HB   LEU  53           HB1      LEU  53  -0.178   4.935  11.140
  479    HG   LEU  53           HG       LEU  53  -0.578   5.628  14.096
  480   1HD1  LEU  53           HD11     LEU  53  -2.169   3.894  13.327
  481   2HD1  LEU  53           HD13     LEU  53  -0.816   2.959  12.646
  482   3HD1  LEU  53           HD12     LEU  53  -0.931   3.207  14.404
  483   1HD2  LEU  53           HD22     LEU  53   1.548   4.090  12.547
  484   2HD2  LEU  53           HD21     LEU  53   1.776   5.510  13.595
  485   3HD2  LEU  53           HD23     LEU  53   1.339   3.943  14.307
   
  No H/Q in entry =         485
  Start of MODEL    5
    1   1H    ARG   1           H2       ARG   1 -14.676  11.954  -9.421
    2   2H    ARG   1           H1       ARG   1 -15.378  11.662  -7.959
    3   3H    ARG   1           H3       ARG   1 -14.533  13.055  -8.204
    4    HA   ARG   1           HA       ARG   1 -13.245  11.589  -6.893
    5   1HB   ARG   1           H        ARG   1 -12.412   9.465  -8.269
    6   2HB   ARG   1           H        ARG   1 -13.892   9.422  -7.295
    7   1HG   ARG   1           H        ARG   1 -14.379   8.401  -9.432
    8   2HG   ARG   1           H        ARG   1 -15.227   9.955  -9.378
    9   1HD   ARG   1           H        ARG   1 -13.490  10.994 -10.761
   10   2HD   ARG   1           H        ARG   1 -12.511   9.516 -10.703
   11    HE   ARG   1           H        ARG   1 -14.855  10.042 -12.378
   12   1HH1  ARG   1           H        ARG   1 -12.818   7.543 -10.896
   13   2HH1  ARG   1           H        ARG   1 -13.199   6.333 -12.096
   14   1HH2  ARG   1           H        ARG   1 -15.357   8.431 -13.950
   15   2HH2  ARG   1           H        ARG   1 -14.660   6.834 -13.828
   16    H    LYS   2           H        LYS   2 -12.474  13.824  -7.801
   17    HA   LYS   2           HA       LYS   2 -10.725  13.783 -10.088
   18   1HB   LYS   2           H        LYS   2 -10.003  16.015  -9.229
   19   2HB   LYS   2           H        LYS   2 -11.769  15.854  -9.373
   20   1HG   LYS   2           H        LYS   2 -12.044  15.611  -7.006
   21   2HG   LYS   2           H        LYS   2 -10.311  15.308  -6.756
   22   1HD   LYS   2           H        LYS   2 -10.868  17.592  -6.059
   23   2HD   LYS   2           H        LYS   2  -9.803  17.637  -7.482
   24   1HE   LYS   2           H        LYS   2 -12.771  17.617  -7.972
   25   2HE   LYS   2           H        LYS   2 -12.067  19.104  -7.306
   26   1HZ   LYS   2           H        LYS   2 -11.175  17.756  -9.759
   27   2HZ   LYS   2           H        LYS   2 -12.097  19.122  -9.690
   28   3HZ   LYS   2           H        LYS   2 -10.543  19.147  -9.136
   29    H    ARG   3           H        ARG   3 -10.367  12.763  -6.768
   30    HA   ARG   3           HA       ARG   3  -7.585  12.002  -7.311
   31   1HB   ARG   3           H        ARG   3  -7.440  14.324  -6.384
   32   2HB   ARG   3           H        ARG   3  -8.311  13.774  -4.933
   33   1HG   ARG   3           H        ARG   3  -6.510  12.099  -4.508
   34   2HG   ARG   3           H        ARG   3  -5.635  12.693  -5.938
   35   1HD   ARG   3           H        ARG   3  -6.406  14.397  -3.528
   36   2HD   ARG   3           H        ARG   3  -4.803  13.680  -3.778
   37    HE   ARG   3           H        ARG   3  -5.928  16.027  -5.110
   38   1HH1  ARG   3           H        ARG   3  -3.566  13.391  -5.360
   39   2HH1  ARG   3           H        ARG   3  -2.482  14.283  -6.401
   40   1HH2  ARG   3           H        ARG   3  -4.493  17.189  -6.491
   41   2HH2  ARG   3           H        ARG   3  -3.026  16.436  -7.071
   42    H    GLN   4           H        GLN   4  -8.046   9.847  -7.067
   43    HA   GLN   4           HA       GLN   4  -9.783   8.852  -4.978
   44   1HB   GLN   4           HB1      GLN   4  -9.216   7.825  -7.303
   45   2HB   GLN   4           HB2      GLN   4  -7.730   7.234  -6.530
   46   1HG   GLN   4           HG1      GLN   4 -10.509   6.731  -5.382
   47   2HG   GLN   4           HG2      GLN   4  -9.736   5.630  -6.538
   48   1HE2  GLN   4           HE21     GLN   4  -8.931   5.220  -2.639
   49   2HE2  GLN   4           HE22     GLN   4 -10.315   6.052  -3.316
   50    H    ALA   5           H        ALA   5  -9.257   8.505  -2.884
   51    HA   ALA   5           HA       ALA   5  -6.548   8.971  -1.955
   52   1HB   ALA   5           HB3      ALA   5  -9.082   8.024  -0.546
   53   2HB   ALA   5           HB2      ALA   5  -7.562   8.462   0.273
   54   3HB   ALA   5           HB1      ALA   5  -8.473   9.693  -0.633
   55    H    TRP   6           H        TRP   6  -7.983   6.413  -0.186
   56    HA   TRP   6           HA       TRP   6  -6.631   4.279  -1.724
   57   1HB   TRP   6           HB2      TRP   6  -5.907   5.210   1.064
   58   2HB   TRP   6           HB1      TRP   6  -5.665   3.529   0.572
   59    HD1  TRP   6           HD1      TRP   6  -4.504   7.066  -0.374
   60    HE1  TRP   6           HE1      TRP   6  -2.165   6.959  -1.449
   61    HE3  TRP   6           HE3      TRP   6  -3.940   1.988  -0.559
   62    HZ2  TRP   6           HZ2      TRP   6  -0.315   4.935  -2.275
   63    HZ3  TRP   6           HZ3      TRP   6  -1.856   1.008  -1.483
   64    HH2  TRP   6           HH2      TRP   6  -0.046   2.480  -2.333
   65    H    LEU   7           H        LEU   7  -7.550   2.238  -1.365
   66    HA   LEU   7           HA       LEU   7 -10.206   2.349  -0.079
   67   1HB   LEU   7           HB1      LEU   7  -8.779   0.387  -1.903
   68   2HB   LEU   7           HB2      LEU   7 -10.290  -0.037  -1.073
   69    HG   LEU   7           HG       LEU   7 -11.171   2.244  -2.073
   70   1HD1  LEU   7           HD12     LEU   7  -8.855   1.540  -3.937
   71   2HD1  LEU   7           HD11     LEU   7 -10.151   2.697  -4.317
   72   3HD1  LEU   7           HD13     LEU   7  -9.027   3.030  -2.985
   73   1HD2  LEU   7           HD21     LEU   7 -11.988  -0.040  -2.642
   74   2HD2  LEU   7           HD23     LEU   7 -11.943   1.021  -4.070
   75   3HD2  LEU   7           HD22     LEU   7 -10.673  -0.200  -3.830
   76    H    TRP   8           H        TRP   8 -10.903   0.868   1.497
   77    HA   TRP   8           HA       TRP   8  -9.221   0.396   3.673
   78   1HB   TRP   8           HB2      TRP   8 -11.027  -0.938   4.538
   79   2HB   TRP   8           HB1      TRP   8 -11.725   0.418   3.639
   80    HD1  TRP   8           HD1      TRP   8 -11.611  -3.315   3.775
   81    HE1  TRP   8           HE1      TRP   8 -13.130  -4.381   1.989
   82    HE3  TRP   8           HE3      TRP   8 -12.724   0.879   1.045
   83    HZ2  TRP   8           HZ2      TRP   8 -14.600  -3.530  -0.303
   84    HZ3  TRP   8           HZ3      TRP   8 -14.179   0.697  -0.948
   85    HH2  TRP   8           HH2      TRP   8 -15.121  -1.495  -1.628
   86    H    GLU   9           H        GLU   9 -10.022  -1.723   0.898
   87    HA   GLU   9           HA       GLU   9  -8.787  -4.072   1.924
   88   1HB   GLU   9           H        GLU   9  -9.042  -4.939  -0.307
   89   2HB   GLU   9           H        GLU   9 -10.460  -3.919   0.033
   90   1HG   GLU   9           H        GLU   9  -9.206  -2.014  -1.127
   91   2HG   GLU   9           H        GLU   9  -8.022  -3.226  -1.658
   92    H    GLU  10           H        GLU  10  -7.563  -1.330  -0.055
   93    HA   GLU  10           HA       GLU  10  -4.983  -2.485  -0.539
   94   1HB   GLU  10           H        GLU  10  -5.908   0.419  -0.466
   95   2HB   GLU  10           H        GLU  10  -4.341  -0.139  -1.089
   96   1HG   GLU  10           H        GLU  10  -5.444  -1.478  -2.810
   97   2HG   GLU  10           H        GLU  10  -7.040  -1.066  -2.155
   98    H    ASP  11           H        ASP  11  -6.340  -0.362   2.019
   99    HA   ASP  11           HA       ASP  11  -3.921   0.283   3.321
  100   1HB   ASP  11           H        ASP  11  -6.724  -0.126   4.445
  101   2HB   ASP  11           H        ASP  11  -5.385   0.632   5.325
  102    H    LYS  12           H        LYS  12  -6.262  -2.367   4.167
  103    HA   LYS  12           HA       LYS  12  -4.478  -3.445   6.148
  104   1HB   LYS  12           H        LYS  12  -6.082  -5.299   6.280
  105   2HB   LYS  12           H        LYS  12  -6.909  -3.729   6.270
  106   1HG   LYS  12           H        LYS  12  -8.203  -4.658   4.648
  107   2HG   LYS  12           H        LYS  12  -6.835  -4.311   3.578
  108   1HD   LYS  12           H        LYS  12  -5.907  -6.597   4.113
  109   2HD   LYS  12           H        LYS  12  -7.381  -6.923   5.054
  110   1HE   LYS  12           H        LYS  12  -8.765  -6.580   3.047
  111   2HE   LYS  12           H        LYS  12  -7.319  -6.174   2.097
  112   1HZ   LYS  12           H        LYS  12  -6.504  -8.378   2.510
  113   2HZ   LYS  12           H        LYS  12  -7.847  -8.757   3.388
  114   3HZ   LYS  12           H        LYS  12  -7.980  -8.437   1.775
  115    H    ASN  13           H        ASN  13  -5.059  -4.251   2.689
  116    HA   ASN  13           HA       ASN  13  -3.551  -6.678   2.688
  117   1HB   ASN  13           HB2      ASN  13  -5.163  -5.977   0.926
  118   2HB   ASN  13           HB1      ASN  13  -4.047  -4.685   0.435
  119   1HD2  ASN  13           HD21     ASN  13  -3.111  -7.129  -2.010
  120   2HD2  ASN  13           HD22     ASN  13  -4.139  -5.748  -1.701
  121    H    LEU  14           H        LEU  14  -2.659  -3.269   1.968
  122    HA   LEU  14           HA       LEU  14   0.059  -3.835   1.283
  123   1HB   LEU  14           HB2      LEU  14  -1.149  -1.764   0.653
  124   2HB   LEU  14           HB1      LEU  14  -1.228  -1.286   2.363
  125    HG   LEU  14           HG       LEU  14   1.501  -1.991   1.434
  126   1HD1  LEU  14           HD12     LEU  14   0.603  -0.949  -0.625
  127   2HD1  LEU  14           HD13     LEU  14   0.081   0.465   0.320
  128   3HD1  LEU  14           HD11     LEU  14   1.815   0.094   0.157
  129   1HD2  LEU  14           HD21     LEU  14   0.277   0.441   2.818
  130   2HD2  LEU  14           HD23     LEU  14   1.036  -0.949   3.627
  131   3HD2  LEU  14           HD22     LEU  14   2.019   0.136   2.619
  132    H    ARG  15           H        ARG  15  -1.488  -2.628   4.309
  133    HA   ARG  15           HA       ARG  15   0.828  -2.361   5.848
  134   1HB   ARG  15           H        ARG  15  -1.357  -1.520   6.514
  135   2HB   ARG  15           H        ARG  15  -1.986  -3.175   6.665
  136   1HG   ARG  15           H        ARG  15  -0.563  -3.648   8.534
  137   2HG   ARG  15           H        ARG  15   0.417  -2.193   8.248
  138   1HD   ARG  15           H        ARG  15  -1.127  -1.861  10.142
  139   2HD   ARG  15           H        ARG  15  -1.518  -0.765   8.807
  140    HE   ARG  15           H        ARG  15  -3.061  -3.180   9.646
  141   1HH1  ARG  15           H        ARG  15  -2.774  -0.382   7.467
  142   2HH1  ARG  15           H        ARG  15  -4.484  -0.310   7.130
  143   1HH2  ARG  15           H        ARG  15  -5.314  -3.058   9.184
  144   2HH2  ARG  15           H        ARG  15  -5.916  -1.871   8.050
  145    H    SER  16           H        SER  16  -1.187  -5.325   5.326
  146    HA   SER  16           HA       SER  16   0.386  -6.901   7.180
  147   1HB   SER  16           HB2      SER  16  -0.890  -8.798   6.204
  148   2HB   SER  16           HB1      SER  16  -1.948  -7.450   6.682
  149    HG   SER  16           HG       SER  16  -2.486  -8.178   4.616
  150    H    GLY  17           H        GLY  17   0.187  -6.754   3.572
  151   1HA   GLY  17           HA1      GLY  17   2.119  -8.698   2.989
  152   2HA   GLY  17           HA2      GLY  17   1.711  -7.317   1.952
  153    H    VAL  18           H        VAL  18   2.561  -5.196   3.671
  154    HA   VAL  18           HA       VAL  18   5.285  -5.016   2.963
  155    HB   VAL  18           HB       VAL  18   3.501  -3.498   4.888
  156   1HG1  VAL  18           HG13     VAL  18   6.481  -3.198   4.397
  157   2HG1  VAL  18           HG11     VAL  18   5.474  -1.823   4.887
  158   3HG1  VAL  18           HG12     VAL  18   5.615  -3.238   5.951
  159   1HG2  VAL  18           HG23     VAL  18   3.348  -3.315   2.330
  160   2HG2  VAL  18           HG21     VAL  18   3.628  -1.789   3.200
  161   3HG2  VAL  18           HG22     VAL  18   4.977  -2.605   2.378
  162    H    ARG  19           H        ARG  19   3.758  -5.969   6.096
  163    HA   ARG  19           HA       ARG  19   6.311  -6.203   7.436
  164   1HB   ARG  19           H        ARG  19   3.448  -6.719   8.057
  165   2HB   ARG  19           H        ARG  19   4.596  -7.796   8.881
  166   1HG   ARG  19           H        ARG  19   4.512  -6.016  10.382
  167   2HG   ARG  19           H        ARG  19   5.908  -5.549   9.390
  168   1HD   ARG  19           H        ARG  19   4.527  -3.590   9.577
  169   2HD   ARG  19           H        ARG  19   4.283  -4.219   7.935
  170    HE   ARG  19           H        ARG  19   2.067  -4.608   8.436
  171   1HH1  ARG  19           H        ARG  19   3.876  -4.052  11.433
  172   2HH1  ARG  19           H        ARG  19   2.479  -4.216  12.468
  173   1HH2  ARG  19           H        ARG  19   0.260  -5.004   9.832
  174   2HH2  ARG  19           H        ARG  19   0.408  -4.718  11.549
  175    H    LYS  20           H        LYS  20   4.219  -8.401   5.562
  176    HA   LYS  20           HA       LYS  20   5.491 -10.827   6.372
  177   1HB   LYS  20           H        LYS  20   3.270 -10.701   5.296
  178   2HB   LYS  20           H        LYS  20   4.028 -10.158   3.783
  179   1HG   LYS  20           H        LYS  20   5.273 -12.246   3.587
  180   2HG   LYS  20           H        LYS  20   4.705 -12.789   5.179
  181   1HD   LYS  20           H        LYS  20   2.907 -12.220   2.771
  182   2HD   LYS  20           H        LYS  20   3.452 -13.836   3.264
  183   1HE   LYS  20           H        LYS  20   1.631 -11.938   4.808
  184   2HE   LYS  20           H        LYS  20   1.233 -13.538   4.152
  185   1HZ   LYS  20           H        LYS  20   2.853 -14.459   5.694
  186   2HZ   LYS  20           H        LYS  20   3.083 -12.967   6.359
  187   3HZ   LYS  20           H        LYS  20   1.609 -13.697   6.462
  188    H    TYR  21           H        TYR  21   6.006  -8.710   3.474
  189    HA   TYR  21           HA       TYR  21   8.368 -10.345   2.760
  190   1HB   TYR  21           HB2      TYR  21   6.912  -8.072   1.371
  191   2HB   TYR  21           HB1      TYR  21   8.352  -8.878   0.723
  192    HD1  TYR  21           HD1      TYR  21   8.186 -11.547   0.646
  193    HD2  TYR  21           HD2      TYR  21   4.807  -8.874   0.700
  194    HE1  TYR  21           HE1      TYR  21   6.756 -13.333  -0.322
  195    HE2  TYR  21           HE2      TYR  21   3.385 -10.662  -0.279
  196    HH   TYR  21           HH       TYR  21   3.283 -12.824  -1.019
  197    H    GLY  22           H        GLY  22   7.631  -6.824   3.215
  198   1HA   GLY  22           HA2      GLY  22   9.285  -5.827   4.946
  199   2HA   GLY  22           HA1      GLY  22  10.521  -6.368   3.787
  200    H    GLU  23           H        GLU  23   9.125  -3.631   4.751
  201    HA   GLU  23           HA       GLU  23   7.967  -2.462   2.456
  202   1HB   GLU  23           H        GLU  23   8.054  -0.454   3.630
  203   2HB   GLU  23           H        GLU  23   8.115  -1.644   4.940
  204   1HG   GLU  23           H        GLU  23   9.860  -0.295   5.595
  205   2HG   GLU  23           H        GLU  23  10.757  -1.423   4.567
  206    H    GLY  24           H        GLY  24   8.859  -0.905   0.931
  207   1HA   GLY  24           HA1      GLY  24  10.613   0.036  -0.334
  208   2HA   GLY  24           HA2      GLY  24  11.785  -0.985   0.525
  209    H    ASN  25           H        ASN  25  10.348  -3.494   0.221
  210    HA   ASN  25           HA       ASN  25  11.165  -4.135  -2.523
  211   1HB   ASN  25           HB1      ASN  25   9.924  -5.909  -0.379
  212   2HB   ASN  25           HB2      ASN  25  10.766  -6.441  -1.849
  213   1HD2  ASN  25           HD22     ASN  25  12.852  -5.357   1.514
  214   2HD2  ASN  25           HD21     ASN  25  11.107  -5.217   1.419
  215    H    TRP  26           H        TRP  26   9.221  -2.357  -2.857
  216    HA   TRP  26           HA       TRP  26   6.535  -3.176  -2.753
  217   1HB   TRP  26           HB2      TRP  26   7.725  -1.477  -4.956
  218   2HB   TRP  26           HB1      TRP  26   6.117  -1.365  -4.226
  219    HD1  TRP  26           HD1      TRP  26   9.307   0.301  -4.191
  220    HE1  TRP  26           HE1      TRP  26   9.672   1.787  -2.124
  221    HE3  TRP  26           HE3      TRP  26   5.507  -1.463  -1.251
  222    HZ2  TRP  26           HZ2      TRP  26   8.489   2.149   0.443
  223    HZ3  TRP  26           HZ3      TRP  26   5.164  -0.515   1.016
  224    HH2  TRP  26           HH2      TRP  26   6.654   1.279   1.868
  225    H    SER  27           H        SER  27   8.964  -3.559  -5.373
  226    HA   SER  27           HA       SER  27   7.391  -4.668  -7.365
  227   1HB   SER  27           HB2      SER  27  10.194  -5.577  -6.602
  228   2HB   SER  27           HB1      SER  27   9.443  -5.626  -8.216
  229    HG   SER  27           HG       SER  27  10.783  -3.799  -7.971
  230    H    LYS  28           H        LYS  28   8.779  -6.303  -4.479
  231    HA   LYS  28           HA       LYS  28   7.872  -8.922  -5.343
  232   1HB   LYS  28           H        LYS  28   9.888  -8.684  -3.968
  233   2HB   LYS  28           H        LYS  28   8.957  -7.864  -2.699
  234   1HG   LYS  28           H        LYS  28   8.838  -9.938  -1.770
  235   2HG   LYS  28           H        LYS  28   7.523 -10.199  -2.922
  236   1HD   LYS  28           H        LYS  28  10.459 -10.874  -3.431
  237   2HD   LYS  28           H        LYS  28   9.221 -12.044  -2.925
  238   1HE   LYS  28           H        LYS  28   9.299 -10.465  -5.530
  239   2HE   LYS  28           H        LYS  28   9.504 -12.213  -5.328
  240   1HZ   LYS  28           H        LYS  28   7.240 -12.325  -4.537
  241   2HZ   LYS  28           H        LYS  28   7.046 -10.700  -4.770
  242   3HZ   LYS  28           H        LYS  28   7.312 -11.691  -6.060
  243    H    ILE  29           H        ILE  29   6.804  -6.472  -2.926
  244    HA   ILE  29           HA       ILE  29   4.743  -7.995  -1.753
  245    HB   ILE  29           HB       ILE  29   5.055  -4.994  -2.175
  246   1HG1  ILE  29           HG12     ILE  29   5.301  -6.544   0.420
  247   2HG1  ILE  29           HG11     ILE  29   6.671  -6.477  -0.709
  248   1HG2  ILE  29           HG23     ILE  29   3.034  -6.563  -0.507
  249   2HG2  ILE  29           HG22     ILE  29   3.346  -4.825  -0.311
  250   3HG2  ILE  29           HG21     ILE  29   2.678  -5.438  -1.839
  251   1HD1  ILE  29           HD12     ILE  29   5.225  -4.040   0.420
  252   2HD1  ILE  29           HD13     ILE  29   6.775  -4.675   1.013
  253   3HD1  ILE  29           HD11     ILE  29   6.655  -4.022  -0.634
  254    H    LEU  30           H        LEU  30   4.425  -5.531  -4.411
  255    HA   LEU  30           HA       LEU  30   1.656  -6.080  -4.806
  256   1HB   LEU  30           HB1      LEU  30   1.835  -4.685  -6.776
  257   2HB   LEU  30           HB2      LEU  30   2.792  -3.974  -5.462
  258    HG   LEU  30           HG       LEU  30   4.719  -5.498  -6.650
  259   1HD1  LEU  30           HD11     LEU  30   2.841  -4.599  -8.885
  260   2HD1  LEU  30           HD13     LEU  30   4.485  -5.240  -9.113
  261   3HD1  LEU  30           HD12     LEU  30   3.208  -6.283  -8.455
  262   1HD2  LEU  30           HD23     LEU  30   4.798  -3.058  -6.126
  263   2HD2  LEU  30           HD22     LEU  30   5.454  -3.407  -7.741
  264   3HD2  LEU  30           HD21     LEU  30   3.818  -2.730  -7.572
  265    H    LEU  31           H        LEU  31   4.502  -7.828  -5.855
  266    HA   LEU  31           HA       LEU  31   3.539  -8.993  -8.238
  267   1HB   LEU  31           HB2      LEU  31   5.833  -9.200  -6.759
  268   2HB   LEU  31           HB1      LEU  31   5.069 -10.747  -6.361
  269    HG   LEU  31           HG       LEU  31   6.483 -11.113  -8.275
  270   1HD1  LEU  31           HD11     LEU  31   4.148 -12.121  -8.304
  271   2HD1  LEU  31           HD12     LEU  31   3.679 -10.815  -9.420
  272   3HD1  LEU  31           HD13     LEU  31   4.936 -11.979  -9.891
  273   1HD2  LEU  31           HD21     LEU  31   6.648  -8.709  -8.956
  274   2HD2  LEU  31           HD22     LEU  31   6.367  -9.806 -10.327
  275   3HD2  LEU  31           HD23     LEU  31   5.030  -8.830  -9.682
  276    H    HIS  32           H        HIS  32   3.217 -10.076  -4.821
  277    HA   HIS  32           HA       HIS  32   1.333 -12.194  -5.626
  278   1HB   HIS  32           HB2      HIS  32   2.302 -11.324  -2.874
  279   2HB   HIS  32           HB1      HIS  32   1.419 -12.812  -3.263
  280    HD1  HIS  32           HD1      HIS  32   2.741 -14.663  -4.684
  281    HD2  HIS  32           HD2      HIS  32   5.054 -11.454  -3.321
  282    HE1  HIS  32           HE1      HIS  32   5.188 -15.325  -4.910
  283    H    TYR  33           H        TYR  33   1.370  -9.293  -3.475
  284    HA   TYR  33           HA       TYR  33  -1.569  -9.370  -3.300
  285   1HB   TYR  33           HB2      TYR  33   0.573  -7.616  -2.050
  286   2HB   TYR  33           HB1      TYR  33  -1.157  -7.422  -1.757
  287    HD1  TYR  33           HD1      TYR  33  -2.336  -9.881  -1.214
  288    HD2  TYR  33           HD2      TYR  33   1.714  -8.704  -0.340
  289    HE1  TYR  33           HE1      TYR  33  -2.236 -11.575   0.598
  290    HE2  TYR  33           HE2      TYR  33   1.809 -10.399   1.472
  291    HH   TYR  33           HH       TYR  33   0.688 -12.031   2.606
  292    H    LYS  34           H        LYS  34  -1.579  -9.044  -5.753
  293    HA   LYS  34           HA       LYS  34  -0.843  -6.524  -6.873
  294   1HB   LYS  34           H        LYS  34  -1.320  -8.647  -8.133
  295   2HB   LYS  34           H        LYS  34  -3.045  -8.432  -7.753
  296   1HG   LYS  34           H        LYS  34  -3.047  -6.250  -8.918
  297   2HG   LYS  34           H        LYS  34  -1.305  -6.408  -9.240
  298   1HD   LYS  34           H        LYS  34  -2.451  -7.078 -11.248
  299   2HD   LYS  34           H        LYS  34  -1.833  -8.565 -10.489
  300   1HE   LYS  34           H        LYS  34  -4.016  -9.104  -9.596
  301   2HE   LYS  34           H        LYS  34  -4.660  -7.509 -10.046
  302   1HZ   LYS  34           H        LYS  34  -3.740  -9.572 -11.924
  303   2HZ   LYS  34           H        LYS  34  -5.313  -9.212 -11.583
  304   3HZ   LYS  34           H        LYS  34  -4.356  -8.098 -12.333
  305    H    PHE  35           H        PHE  35  -1.658  -4.585  -6.348
  306    HA   PHE  35           HA       PHE  35  -4.236  -4.341  -4.992
  307   1HB   PHE  35           HB2      PHE  35  -2.305  -2.223  -5.998
  308   2HB   PHE  35           HB1      PHE  35  -3.624  -1.979  -4.841
  309    HD1  PHE  35           HD1      PHE  35  -3.521  -3.221  -2.599
  310    HD2  PHE  35           HD2      PHE  35  -0.149  -2.898  -5.263
  311    HE1  PHE  35           HE1      PHE  35  -1.985  -3.776  -0.728
  312    HE2  PHE  35           HE2      PHE  35   1.383  -3.455  -3.388
  313    HZ   PHE  35           HZ       PHE  35   0.466  -3.893  -1.121
  314    H    ASN  36           H        ASN  36  -5.341  -2.029  -5.955
  315    HA   ASN  36           HA       ASN  36  -6.750  -2.932  -8.274
  316   1HB   ASN  36           HB2      ASN  36  -6.576  -0.237  -6.868
  317   2HB   ASN  36           HB1      ASN  36  -7.676  -0.569  -8.223
  318   1HD2  ASN  36           HD22     ASN  36  -8.603  -1.797  -4.440
  319   2HD2  ASN  36           HD21     ASN  36  -7.190  -0.811  -4.819
  320    H    ASN  37           H        ASN  37  -4.816   0.097  -7.958
  321    HA   ASN  37           HA       ASN  37  -3.363  -0.490 -10.432
  322   1HB   ASN  37           HB2      ASN  37  -5.595   0.445 -11.172
  323   2HB   ASN  37           HB1      ASN  37  -5.212   1.931 -10.279
  324   1HD2  ASN  37           HD21     ASN  37  -2.941   0.962 -13.638
  325   2HD2  ASN  37           HD22     ASN  37  -3.627  -0.306 -12.644
  326    H    ARG  38           H        ARG  38  -2.299  -0.375  -7.984
  327    HA   ARG  38           HA       ARG  38  -1.489   2.354  -7.300
  328   1HB   ARG  38           H        ARG  38  -1.699  -0.153  -5.968
  329   2HB   ARG  38           H        ARG  38   0.028   0.263  -5.974
  330   1HG   ARG  38           H        ARG  38  -0.926   1.251  -4.006
  331   2HG   ARG  38           H        ARG  38  -0.640   2.576  -5.155
  332   1HD   ARG  38           H        ARG  38  -3.167   1.909  -5.882
  333   2HD   ARG  38           H        ARG  38  -3.218   1.392  -4.183
  334    HE   ARG  38           H        ARG  38  -2.067   3.973  -4.263
  335   1HH1  ARG  38           H        ARG  38  -5.187   2.317  -4.629
  336   2HH1  ARG  38           H        ARG  38  -6.125   3.799  -4.535
  337   1HH2  ARG  38           H        ARG  38  -3.324   5.903  -4.124
  338   2HH2  ARG  38           H        ARG  38  -5.065   5.790  -3.976
  339    H    THR  39           H        THR  39   0.766   3.001  -7.160
  340    HA   THR  39           HA       THR  39   2.553   1.592  -9.090
  341    HB   THR  39           HB       THR  39   3.325   3.832  -9.844
  342    HG1  THR  39           HG1      THR  39   1.986   5.612  -9.232
  343   1HG2  THR  39           HG23     THR  39   1.483   2.595 -11.038
  344   2HG2  THR  39           HG22     THR  39   0.297   3.520 -10.086
  345   3HG2  THR  39           HG21     THR  39   1.381   4.362 -11.218
  346    H    SER  40           H        SER  40   4.869   2.179  -8.748
  347    HA   SER  40           HA       SER  40   5.714   1.628  -6.154
  348   1HB   SER  40           HB1      SER  40   7.238   3.213  -8.260
  349   2HB   SER  40           HB2      SER  40   7.928   2.236  -6.942
  350    HG   SER  40           HG       SER  40   6.889   0.414  -7.901
  351    H    VAL  41           H        VAL  41   5.476   4.864  -7.750
  352    HA   VAL  41           HA       VAL  41   6.544   6.327  -5.575
  353    HB   VAL  41           HB       VAL  41   6.353   7.242  -7.838
  354   1HG1  VAL  41           HG12     VAL  41   4.131   6.191  -8.394
  355   2HG1  VAL  41           HG11     VAL  41   3.346   7.396  -7.347
  356   3HG1  VAL  41           HG13     VAL  41   4.225   7.916  -8.800
  357   1HG2  VAL  41           HG22     VAL  41   6.408   8.755  -5.833
  358   2HG2  VAL  41           HG21     VAL  41   5.589   9.475  -7.239
  359   3HG2  VAL  41           HG23     VAL  41   4.630   8.830  -5.888
  360    H    MET  42           H        MET  42   3.125   5.426  -6.339
  361    HA   MET  42           HA       MET  42   1.969   6.905  -4.198
  362   1HB   MET  42           HB2      MET  42   1.102   5.030  -6.224
  363   2HB   MET  42           HB1      MET  42   0.428   4.533  -4.656
  364   1HG   MET  42           HG1      MET  42  -1.130   6.077  -5.621
  365   2HG   MET  42           HG2      MET  42  -0.308   6.917  -4.301
  366   1HE   MET  42           HE3      MET  42  -0.041   6.156  -8.124
  367   2HE   MET  42           HE2      MET  42  -1.505   7.135  -7.885
  368   3HE   MET  42           HE1      MET  42  -0.131   7.798  -8.801
  369    H    LEU  43           H        LEU  43   3.053   3.480  -4.429
  370    HA   LEU  43           HA       LEU  43   2.303   2.694  -1.818
  371   1HB   LEU  43           HB2      LEU  43   4.563   1.765  -3.637
  372   2HB   LEU  43           HB1      LEU  43   4.060   0.916  -2.159
  373    HG   LEU  43           HG       LEU  43   1.996   1.601  -4.273
  374   1HD1  LEU  43           HD11     LEU  43   3.856   0.469  -5.460
  375   2HD1  LEU  43           HD13     LEU  43   3.803  -0.851  -4.270
  376   3HD1  LEU  43           HD12     LEU  43   2.417  -0.570  -5.351
  377   1HD2  LEU  43           HD22     LEU  43   1.285   0.730  -2.065
  378   2HD2  LEU  43           HD21     LEU  43   0.924  -0.426  -3.364
  379   3HD2  LEU  43           HD23     LEU  43   2.322  -0.696  -2.295
  380    H    LYS  44           H        LYS  44   5.399   4.074  -3.046
  381    HA   LYS  44           HA       LYS  44   6.848   3.965  -0.619
  382   1HB   LYS  44           H        LYS  44   6.949   5.776  -3.056
  383   2HB   LYS  44           H        LYS  44   8.065   5.993  -1.691
  384   1HG   LYS  44           H        LYS  44   8.957   3.772  -1.958
  385   2HG   LYS  44           H        LYS  44   7.698   3.341  -3.139
  386   1HD   LYS  44           H        LYS  44   8.567   5.073  -4.693
  387   2HD   LYS  44           H        LYS  44   9.830   5.497  -3.512
  388   1HE   LYS  44           H        LYS  44  10.719   3.183  -3.639
  389   2HE   LYS  44           H        LYS  44   9.461   2.766  -4.823
  390   1HZ   LYS  44           H        LYS  44  10.379   4.422  -6.284
  391   2HZ   LYS  44           H        LYS  44  11.550   4.802  -5.185
  392   3HZ   LYS  44           H        LYS  44  11.526   3.306  -5.880
  393    H    ASP  45           H        ASP  45   5.238   6.853  -2.070
  394    HA   ASP  45           HA       ASP  45   5.581   8.561   0.119
  395   1HB   ASP  45           H        ASP  45   3.350   8.458  -1.953
  396   2HB   ASP  45           H        ASP  45   3.673   9.836  -0.880
  397    H    ARG  46           H        ARG  46   2.863   6.289  -0.562
  398    HA   ARG  46           HA       ARG  46   1.209   7.165   1.555
  399   1HB   ARG  46           H        ARG  46   0.255   5.769  -0.121
  400   2HB   ARG  46           H        ARG  46   1.492   4.514   0.102
  401   1HG   ARG  46           H        ARG  46  -0.637   3.821   1.136
  402   2HG   ARG  46           H        ARG  46   0.607   4.041   2.380
  403   1HD   ARG  46           H        ARG  46  -0.318   6.409   2.712
  404   2HD   ARG  46           H        ARG  46  -1.673   5.939   1.673
  405    HE   ARG  46           H        ARG  46  -1.188   5.161   4.445
  406   1HH1  ARG  46           H        ARG  46  -2.660   4.108   1.405
  407   2HH1  ARG  46           H        ARG  46  -3.958   3.221   2.186
  408   1HH2  ARG  46           H        ARG  46  -2.911   3.992   5.454
  409   2HH2  ARG  46           H        ARG  46  -4.092   3.149   4.467
  410    H    TRP  47           H        TRP  47   3.443   4.293   1.498
  411    HA   TRP  47           HA       TRP  47   3.035   3.648   4.210
  412   1HB   TRP  47           HB2      TRP  47   4.157   2.267   2.401
  413   2HB   TRP  47           HB1      TRP  47   5.616   3.229   2.692
  414    HD1  TRP  47           HD1      TRP  47   7.220   2.052   4.229
  415    HE1  TRP  47           HE1      TRP  47   7.132   0.420   6.219
  416    HE3  TRP  47           HE3      TRP  47   2.135   1.530   4.628
  417    HZ2  TRP  47           HZ2      TRP  47   5.136  -0.913   7.764
  418    HZ3  TRP  47           HZ3      TRP  47   1.179   0.055   6.383
  419    HH2  TRP  47           HH2      TRP  47   2.672  -1.163   7.949
  420    H    ARG  48           H        ARG  48   5.346   5.927   2.686
  421    HA   ARG  48           HA       ARG  48   6.901   6.478   4.991
  422   1HB   ARG  48           H        ARG  48   6.115   8.166   2.586
  423   2HB   ARG  48           H        ARG  48   7.267   8.719   3.820
  424   1HG   ARG  48           H        ARG  48   7.689   6.001   2.581
  425   2HG   ARG  48           H        ARG  48   8.094   7.442   1.622
  426   1HD   ARG  48           H        ARG  48   9.545   8.259   3.459
  427   2HD   ARG  48           H        ARG  48   9.124   6.832   4.428
  428    HE   ARG  48           H        ARG  48  10.610   5.559   3.192
  429   1HH1  ARG  48           H        ARG  48   9.900   8.569   1.456
  430   2HH1  ARG  48           H        ARG  48  11.158   8.338   0.266
  431   1HH2  ARG  48           H        ARG  48  12.260   5.256   1.610
  432   2HH2  ARG  48           H        ARG  48  12.499   6.444   0.350
  433    H    THR  49           H        THR  49   3.895   8.052   3.747
  434    HA   THR  49           HA       THR  49   3.708   9.745   6.130
  435    HB   THR  49           HB       THR  49   1.599  10.524   5.027
  436    HG1  THR  49           HG1      THR  49   2.397   8.744   2.959
  437   1HG2  THR  49           HG22     THR  49   3.789  11.574   4.519
  438   2HG2  THR  49           HG23     THR  49   4.048  10.397   3.210
  439   3HG2  THR  49           HG21     THR  49   2.721  11.577   3.095
  440    H    MET  50           H        MET  50   3.379   6.571   6.040
  441    HA   MET  50           HA       MET  50   0.858   6.526   7.649
  442   1HB   MET  50           HB1      MET  50   0.884   5.175   5.498
  443   2HB   MET  50           HB2      MET  50   2.196   4.206   6.200
  444   1HG   MET  50           HG2      MET  50   0.127   3.047   6.597
  445   2HG   MET  50           HG1      MET  50   0.698   3.687   8.144
  446   1HE   MET  50           HE1      MET  50  -2.203   2.563   7.676
  447   2HE   MET  50           HE3      MET  50  -1.627   3.228   9.224
  448   3HE   MET  50           HE2      MET  50  -3.176   3.776   8.541
  449    H    LYS  51           H        LYS  51   4.279   5.575   7.372
  450    HA   LYS  51           HA       LYS  51   4.240   4.319  10.032
  451   1HB   LYS  51           H        LYS  51   5.515   3.228   8.265
  452   2HB   LYS  51           H        LYS  51   6.412   4.725   7.932
  453   1HG   LYS  51           H        LYS  51   7.741   3.128   9.304
  454   2HG   LYS  51           H        LYS  51   7.435   4.648  10.173
  455   1HD   LYS  51           H        LYS  51   5.667   3.622  11.485
  456   2HD   LYS  51           H        LYS  51   5.718   2.144  10.492
  457   1HE   LYS  51           H        LYS  51   7.941   1.606  11.294
  458   2HE   LYS  51           H        LYS  51   8.083   3.180  12.108
  459   1HZ   LYS  51           H        LYS  51   6.153   1.076  12.794
  460   2HZ   LYS  51           H        LYS  51   7.529   1.430  13.631
  461   3HZ   LYS  51           H        LYS  51   6.303   2.532  13.553
  462    H    LYS  52           H        LYS  52   5.771   7.137   8.351
  463    HA   LYS  52           HA       LYS  52   6.990   8.091  10.813
  464   1HB   LYS  52           H        LYS  52   7.937   8.461   8.520
  465   2HB   LYS  52           H        LYS  52   6.561   9.530   8.161
  466   1HG   LYS  52           H        LYS  52   7.189  10.992  10.059
  467   2HG   LYS  52           H        LYS  52   8.560   9.927  10.436
  468   1HD   LYS  52           H        LYS  52   8.232  11.166   7.678
  469   2HD   LYS  52           H        LYS  52   9.006  12.068   8.999
  470   1HE   LYS  52           H        LYS  52   9.893   9.292   8.098
  471   2HE   LYS  52           H        LYS  52  10.618  10.803   7.514
  472   1HZ   LYS  52           H        LYS  52  11.153  11.330   9.799
  473   2HZ   LYS  52           H        LYS  52  10.545   9.883  10.302
  474   3HZ   LYS  52           H        LYS  52  11.864   9.922   9.316
  475    H    LEU  53           H        LEU  53   4.256   9.145   8.717
  476    HA   LEU  53           HA       LEU  53   3.343  10.971  10.872
  477   1HB   LEU  53           HB1      LEU  53   3.598  11.845   8.556
  478   2HB   LEU  53           HB2      LEU  53   2.424  10.641   7.983
  479    HG   LEU  53           HG       LEU  53   1.487  12.252  10.299
  480   1HD1  LEU  53           HD12     LEU  53   1.979  13.543   7.578
  481   2HD1  LEU  53           HD13     LEU  53   1.021  14.258   8.898
  482   3HD1  LEU  53           HD11     LEU  53   2.768  13.988   9.111
  483   1HD2  LEU  53           HD21     LEU  53   0.055  10.676   9.005
  484   2HD2  LEU  53           HD22     LEU  53  -0.560  12.342   8.912
  485   3HD2  LEU  53           HD23     LEU  53   0.328  11.643   7.537
   
  No H/Q in entry =         485
  Start of MODEL    6
    1   1H    ARG   1           H3       ARG   1 -18.801   3.961  -5.188
    2   2H    ARG   1           H2       ARG   1 -18.211   3.186  -6.519
    3   3H    ARG   1           H1       ARG   1 -19.113   2.357  -5.413
    4    HA   ARG   1           HA       ARG   1 -17.458   2.596  -3.745
    5   1HB   ARG   1           H        ARG   1 -16.283   1.610  -6.382
    6   2HB   ARG   1           H        ARG   1 -15.687   1.212  -4.753
    7   1HG   ARG   1           H        ARG   1 -17.975   0.243  -4.238
    8   2HG   ARG   1           H        ARG   1 -18.401   0.486  -5.948
    9   1HD   ARG   1           H        ARG   1 -17.651  -1.788  -5.754
   10   2HD   ARG   1           H        ARG   1 -16.351  -0.886  -6.557
   11    HE   ARG   1           H        ARG   1 -14.966  -1.247  -4.729
   12   1HH1  ARG   1           H        ARG   1 -18.324  -1.991  -3.854
   13   2HH1  ARG   1           H        ARG   1 -17.901  -2.750  -2.337
   14   1HH2  ARG   1           H        ARG   1 -14.421  -2.263  -2.732
   15   2HH2  ARG   1           H        ARG   1 -15.677  -2.891  -1.691
   16    H    LYS   2           H        LYS   2 -15.021   3.074  -3.450
   17    HA   LYS   2           HA       LYS   2 -14.604   5.871  -4.188
   18   1HB   LYS   2           H        LYS   2 -14.121   4.736  -1.917
   19   2HB   LYS   2           H        LYS   2 -12.680   4.049  -2.701
   20   1HG   LYS   2           H        LYS   2 -12.203   6.530  -3.432
   21   2HG   LYS   2           H        LYS   2 -13.349   6.955  -2.143
   22   1HD   LYS   2           H        LYS   2 -10.859   5.219  -1.782
   23   2HD   LYS   2           H        LYS   2 -10.978   6.941  -1.350
   24   1HE   LYS   2           H        LYS   2 -12.902   6.362   0.177
   25   2HE   LYS   2           H        LYS   2 -12.607   4.645  -0.174
   26   1HZ   LYS   2           H        LYS   2 -10.387   4.923   0.696
   27   2HZ   LYS   2           H        LYS   2 -10.696   6.506   1.056
   28   3HZ   LYS   2           H        LYS   2 -11.526   5.308   1.829
   29    H    ARG   3           H        ARG   3 -14.688   4.575  -6.549
   30    HA   ARG   3           HA       ARG   3 -13.559   3.966  -8.448
   31   1HB   ARG   3           H        ARG   3 -11.712   6.087  -7.279
   32   2HB   ARG   3           H        ARG   3 -11.570   5.447  -8.934
   33   1HG   ARG   3           H        ARG   3 -13.907   6.152  -9.405
   34   2HG   ARG   3           H        ARG   3 -14.040   6.801  -7.753
   35   1HD   ARG   3           H        ARG   3 -13.523   8.639  -9.242
   36   2HD   ARG   3           H        ARG   3 -12.083   8.307  -8.252
   37    HE   ARG   3           H        ARG   3 -11.906   6.798 -10.661
   38   1HH1  ARG   3           H        ARG   3 -11.846  10.156  -9.538
   39   2HH1  ARG   3           H        ARG   3 -10.785  10.707 -10.813
   40   1HH2  ARG   3           H        ARG   3 -10.514   7.533 -12.351
   41   2HH2  ARG   3           H        ARG   3 -10.035   9.212 -12.424
   42    H    GLN   4           H        GLN   4 -10.343   4.614  -7.341
   43    HA   GLN   4           HA       GLN   4  -9.816   1.904  -6.383
   44   1HB   GLN   4           HB1      GLN   4  -8.165   1.449  -8.226
   45   2HB   GLN   4           HB2      GLN   4  -9.854   1.473  -8.778
   46   1HG   GLN   4           HG2      GLN   4  -9.569   3.814  -9.556
   47   2HG   GLN   4           HG1      GLN   4  -7.881   3.794  -9.006
   48   1HE2  GLN   4           HE21     GLN   4  -6.673   1.774 -11.692
   49   2HE2  GLN   4           HE22     GLN   4  -6.360   2.359 -10.072
   50    H    ALA   5           H        ALA   5  -9.594   4.660  -5.376
   51    HA   ALA   5           HA       ALA   5  -6.806   5.448  -5.541
   52   1HB   ALA   5           HB1      ALA   5  -9.113   6.295  -3.740
   53   2HB   ALA   5           HB3      ALA   5  -7.500   7.050  -3.725
   54   3HB   ALA   5           HB2      ALA   5  -8.509   7.133  -5.188
   55    H    TRP   6           H        TRP   6  -8.590   4.869  -2.479
   56    HA   TRP   6           HA       TRP   6  -6.732   2.730  -1.709
   57   1HB   TRP   6           HB2      TRP   6  -6.766   5.481  -0.453
   58   2HB   TRP   6           HB1      TRP   6  -6.264   4.049   0.457
   59    HD1  TRP   6           HD1      TRP   6  -4.996   6.592  -1.894
   60    HE1  TRP   6           HE1      TRP   6  -2.572   6.100  -2.625
   61    HE3  TRP   6           HE3      TRP   6  -4.592   1.808  -0.133
   62    HZ2  TRP   6           HZ2      TRP   6  -0.731   3.915  -2.473
   63    HZ3  TRP   6           HZ3      TRP   6  -2.483   0.545  -0.455
   64    HH2  TRP   6           HH2      TRP   6  -0.556   1.590  -1.617
   65    H    LEU   7           H        LEU   7  -8.510   1.385  -1.534
   66    HA   LEU   7           HA       LEU   7 -10.721   2.121   0.273
   67   1HB   LEU   7           HB1      LEU   7 -10.043  -0.225  -1.528
   68   2HB   LEU   7           HB2      LEU   7 -11.282  -0.394  -0.268
   69    HG   LEU   7           HG       LEU   7 -12.328   1.771  -1.248
   70   1HD1  LEU   7           HD13     LEU   7 -10.453   0.943  -3.510
   71   2HD1  LEU   7           HD12     LEU   7 -11.843   2.031  -3.719
   72   3HD1  LEU   7           HD11     LEU   7 -10.493   2.510  -2.669
   73   1HD2  LEU   7           HD23     LEU   7 -12.263  -0.796  -2.896
   74   2HD2  LEU   7           HD22     LEU   7 -13.307  -0.486  -1.488
   75   3HD2  LEU   7           HD21     LEU   7 -13.523   0.458  -2.981
   76    H    TRP   8           H        TRP   8 -11.285   0.349   1.987
   77    HA   TRP   8           HA       TRP   8  -9.211   0.250   3.905
   78   1HB   TRP   8           HB1      TRP   8 -11.625   0.086   4.400
   79   2HB   TRP   8           HB2      TRP   8 -11.677  -1.504   3.622
   80    HD1  TRP   8           HD1      TRP   8 -10.280   0.254   6.715
   81    HE1  TRP   8           HE1      TRP   8  -9.813  -1.461   8.579
   82    HE3  TRP   8           HE3      TRP   8 -11.213  -4.049   4.100
   83    HZ2  TRP   8           HZ2      TRP   8  -9.840  -4.300   8.882
   84    HZ3  TRP   8           HZ3      TRP   8 -10.980  -6.249   5.223
   85    HH2  TRP   8           HH2      TRP   8 -10.298  -6.382   7.607
   86    H    GLU   9           H        GLU   9 -10.319  -2.143   1.484
   87    HA   GLU   9           HA       GLU   9  -8.705  -4.323   2.313
   88   1HB   GLU   9           H        GLU   9 -10.467  -3.629   0.131
   89   2HB   GLU   9           H        GLU   9  -8.977  -4.312  -0.552
   90   1HG   GLU   9           H        GLU   9 -10.515  -5.616   1.732
   91   2HG   GLU   9           H        GLU   9 -10.813  -5.991   0.022
   92    H    GLU  10           H        GLU  10  -8.141  -1.829  -0.224
   93    HA   GLU  10           HA       GLU  10  -5.587  -2.671  -1.029
   94   1HB   GLU  10           H        GLU  10  -6.763   0.141  -0.927
   95   2HB   GLU  10           H        GLU  10  -5.362  -0.360  -1.900
   96   1HG   GLU  10           H        GLU  10  -6.800  -2.021  -3.084
   97   2HG   GLU  10           H        GLU  10  -8.198  -1.472  -2.142
   98    H    ASP  11           H        ASP  11  -6.527  -0.355   1.578
   99    HA   ASP  11           HA       ASP  11  -3.852   0.374   2.274
  100   1HB   ASP  11           H        ASP  11  -5.963   1.606   2.874
  101   2HB   ASP  11           H        ASP  11  -6.320   0.325   4.053
  102    H    LYS  12           H        LYS  12  -6.127  -2.071   3.643
  103    HA   LYS  12           HA       LYS  12  -4.488  -3.034   5.712
  104   1HB   LYS  12           H        LYS  12  -6.800  -3.684   5.564
  105   2HB   LYS  12           H        LYS  12  -6.549  -4.397   3.954
  106   1HG   LYS  12           H        LYS  12  -4.998  -6.083   4.953
  107   2HG   LYS  12           H        LYS  12  -5.282  -5.374   6.559
  108   1HD   LYS  12           H        LYS  12  -6.675  -7.382   6.159
  109   2HD   LYS  12           H        LYS  12  -7.669  -5.926   6.394
  110   1HE   LYS  12           H        LYS  12  -8.227  -5.783   4.108
  111   2HE   LYS  12           H        LYS  12  -6.834  -6.761   3.605
  112   1HZ   LYS  12           H        LYS  12  -7.907  -8.657   4.592
  113   2HZ   LYS  12           H        LYS  12  -9.212  -7.742   5.016
  114   3HZ   LYS  12           H        LYS  12  -8.851  -7.974   3.418
  115    H    ASN  13           H        ASN  13  -4.720  -4.084   2.278
  116    HA   ASN  13           HA       ASN  13  -2.921  -6.243   2.412
  117   1HB   ASN  13           HB2      ASN  13  -3.485  -4.292   0.138
  118   2HB   ASN  13           HB1      ASN  13  -2.657  -5.850  -0.043
  119   1HD2  ASN  13           HD21     ASN  13  -6.446  -6.043  -0.717
  120   2HD2  ASN  13           HD22     ASN  13  -5.095  -5.145  -1.403
  121    H    LEU  14           H        LEU  14  -2.320  -2.737   2.260
  122    HA   LEU  14           HA       LEU  14   0.458  -2.977   1.556
  123   1HB   LEU  14           HB2      LEU  14  -1.055  -0.945   1.244
  124   2HB   LEU  14           HB1      LEU  14  -0.882  -0.662   2.990
  125    HG   LEU  14           HG       LEU  14   1.630  -0.643   2.674
  126   1HD1  LEU  14           HD13     LEU  14   0.755  -0.881  -0.228
  127   2HD1  LEU  14           HD12     LEU  14   2.311  -0.145   0.221
  128   3HD1  LEU  14           HD11     LEU  14   1.978  -1.839   0.640
  129   1HD2  LEU  14           HD21     LEU  14   0.030   1.363   1.030
  130   2HD2  LEU  14           HD23     LEU  14   0.314   1.446   2.784
  131   3HD2  LEU  14           HD22     LEU  14   1.677   1.613   1.655
  132    H    ARG  15           H        ARG  15  -1.240  -2.372   4.717
  133    HA   ARG  15           HA       ARG  15   1.253  -2.269   6.146
  134   1HB   ARG  15           H        ARG  15  -0.174  -2.516   8.188
  135   2HB   ARG  15           H        ARG  15  -0.684  -1.209   7.102
  136   1HG   ARG  15           H        ARG  15  -2.431  -2.694   6.151
  137   2HG   ARG  15           H        ARG  15  -1.935  -3.985   7.264
  138   1HD   ARG  15           H        ARG  15  -3.749  -2.977   8.375
  139   2HD   ARG  15           H        ARG  15  -2.329  -2.227   9.137
  140    HE   ARG  15           H        ARG  15  -3.311  -0.717   6.843
  141   1HH1  ARG  15           H        ARG  15  -3.764  -1.349  10.303
  142   2HH1  ARG  15           H        ARG  15  -4.488   0.207  10.629
  143   1HH2  ARG  15           H        ARG  15  -4.373   1.282   7.258
  144   2HH2  ARG  15           H        ARG  15  -4.786   1.731   8.904
  145    H    SER  16           H        SER  16  -1.057  -4.924   5.452
  146    HA   SER  16           HA       SER  16   0.285  -6.845   7.121
  147   1HB   SER  16           HB2      SER  16  -1.570  -7.180   4.727
  148   2HB   SER  16           HB1      SER  16  -1.101  -8.477   5.853
  149    HG   SER  16           HG       SER  16  -3.091  -7.486   6.423
  150    H    GLY  17           H        GLY  17   0.357  -6.177   3.570
  151   1HA   GLY  17           HA1      GLY  17   2.163  -8.249   2.886
  152   2HA   GLY  17           HA2      GLY  17   1.879  -6.762   1.958
  153    H    VAL  18           H        VAL  18   2.798  -4.742   3.542
  154    HA   VAL  18           HA       VAL  18   5.598  -4.881   3.144
  155    HB   VAL  18           HB       VAL  18   3.849  -3.013   4.788
  156   1HG1  VAL  18           HG11     VAL  18   6.835  -3.039   4.285
  157   2HG1  VAL  18           HG12     VAL  18   5.964  -1.516   4.537
  158   3HG1  VAL  18           HG13     VAL  18   5.967  -2.755   5.810
  159   1HG2  VAL  18           HG22     VAL  18   3.624  -3.086   2.258
  160   2HG2  VAL  18           HG23     VAL  18   4.162  -1.516   2.898
  161   3HG2  VAL  18           HG21     VAL  18   5.339  -2.626   2.156
  162    H    ARG  19           H        ARG  19   3.623  -5.454   6.105
  163    HA   ARG  19           HA       ARG  19   5.820  -5.543   7.909
  164   1HB   ARG  19           H        ARG  19   3.017  -6.676   7.909
  165   2HB   ARG  19           H        ARG  19   4.149  -7.075   9.221
  166   1HG   ARG  19           H        ARG  19   3.795  -4.189   8.386
  167   2HG   ARG  19           H        ARG  19   2.583  -4.955   9.439
  168   1HD   ARG  19           H        ARG  19   4.213  -5.430  11.134
  169   2HD   ARG  19           H        ARG  19   5.562  -5.074  10.040
  170    HE   ARG  19           H        ARG  19   5.353  -2.827  10.517
  171   1HH1  ARG  19           H        ARG  19   2.409  -4.523  11.529
  172   2HH1  ARG  19           H        ARG  19   1.725  -3.131  12.333
  173   1HH2  ARG  19           H        ARG  19   4.439  -0.996  11.576
  174   2HH2  ARG  19           H        ARG  19   2.876  -1.117  12.350
  175    H    LYS  20           H        LYS  20   4.895  -7.766   5.387
  176    HA   LYS  20           HA       LYS  20   6.466  -9.956   6.665
  177   1HB   LYS  20           H        LYS  20   4.182  -9.811   4.759
  178   2HB   LYS  20           H        LYS  20   5.420 -11.029   4.374
  179   1HG   LYS  20           H        LYS  20   3.754 -12.063   5.807
  180   2HG   LYS  20           H        LYS  20   5.257 -11.875   6.738
  181   1HD   LYS  20           H        LYS  20   4.363  -9.848   7.821
  182   2HD   LYS  20           H        LYS  20   2.896  -9.937   6.821
  183   1HE   LYS  20           H        LYS  20   2.382 -10.872   8.997
  184   2HE   LYS  20           H        LYS  20   2.427 -12.204   7.822
  185   1HZ   LYS  20           H        LYS  20   4.629 -11.449   9.619
  186   2HZ   LYS  20           H        LYS  20   3.595 -12.712   9.855
  187   3HZ   LYS  20           H        LYS  20   4.624 -12.719   8.567
  188    H    TYR  21           H        TYR  21   6.021  -8.461   3.388
  189    HA   TYR  21           HA       TYR  21   8.521  -9.579   2.441
  190   1HB   TYR  21           HB2      TYR  21   6.569  -7.544   1.322
  191   2HB   TYR  21           HB1      TYR  21   8.009  -8.097   0.450
  192    HD1  TYR  21           HD1      TYR  21   8.271 -10.671   0.116
  193    HD2  TYR  21           HD2      TYR  21   4.549  -8.746   1.120
  194    HE1  TYR  21           HE1      TYR  21   7.019 -12.648  -0.718
  195    HE2  TYR  21           HE2      TYR  21   3.307 -10.723   0.284
  196    HH   TYR  21           HH       TYR  21   3.445 -12.817  -0.628
  197    H    GLY  22           H        GLY  22   7.510  -6.420   3.768
  198   1HA   GLY  22           HA1      GLY  22   8.996  -4.863   4.743
  199   2HA   GLY  22           HA2      GLY  22  10.360  -5.624   3.897
  200    H    GLU  23           H        GLU  23   9.090  -2.754   4.051
  201    HA   GLU  23           HA       GLU  23   8.074  -2.077   1.507
  202   1HB   GLU  23           H        GLU  23   8.715   0.240   2.105
  203   2HB   GLU  23           H        GLU  23   7.909  -0.594   3.449
  204   1HG   GLU  23           H        GLU  23  10.164  -1.113   4.427
  205   2HG   GLU  23           H        GLU  23  10.911  -0.165   3.125
  206    H    GLY  24           H        GLY  24   9.044  -1.157  -0.344
  207   1HA   GLY  24           HA1      GLY  24  11.008  -0.476  -1.591
  208   2HA   GLY  24           HA2      GLY  24  11.988  -1.593  -0.614
  209    H    ASN  25           H        ASN  25  10.205  -3.840  -0.629
  210    HA   ASN  25           HA       ASN  25  10.786  -4.909  -3.291
  211   1HB   ASN  25           HB2      ASN  25   9.335  -6.152  -0.915
  212   2HB   ASN  25           HB1      ASN  25   9.969  -7.012  -2.334
  213   1HD2  ASN  25           HD21     ASN  25  12.415  -6.011   0.793
  214   2HD2  ASN  25           HD22     ASN  25  10.708  -5.616   0.774
  215    H    TRP  26           H        TRP  26   9.086  -2.786  -3.645
  216    HA   TRP  26           HA       TRP  26   6.315  -3.373  -3.483
  217   1HB   TRP  26           HB2      TRP  26   7.824  -1.540  -5.373
  218   2HB   TRP  26           HB1      TRP  26   6.088  -1.479  -5.039
  219    HD1  TRP  26           HD1      TRP  26   8.924   0.421  -4.235
  220    HE1  TRP  26           HE1      TRP  26   8.831   1.613  -1.961
  221    HE3  TRP  26           HE3      TRP  26   5.110  -2.238  -2.082
  222    HZ2  TRP  26           HZ2      TRP  26   7.333   1.414   0.460
  223    HZ3  TRP  26           HZ3      TRP  26   4.382  -1.696   0.218
  224    HH2  TRP  26           HH2      TRP  26   5.485   0.124   1.497
  225    H    SER  27           H        SER  27   8.768  -4.023  -5.989
  226    HA   SER  27           HA       SER  27   7.043  -4.770  -8.093
  227   1HB   SER  27           HB2      SER  27   9.041  -6.142  -8.834
  228   2HB   SER  27           HB1      SER  27   9.403  -4.438  -8.470
  229    HG   SER  27           HG       SER  27  10.908  -5.851  -7.494
  230    H    LYS  28           H        LYS  28   8.119  -6.540  -5.193
  231    HA   LYS  28           HA       LYS  28   6.981  -9.073  -6.136
  232   1HB   LYS  28           H        LYS  28   8.054  -8.288  -3.392
  233   2HB   LYS  28           H        LYS  28   7.771  -9.934  -3.986
  234   1HG   LYS  28           H        LYS  28   9.797  -7.932  -5.102
  235   2HG   LYS  28           H        LYS  28  10.169  -9.361  -4.117
  236   1HD   LYS  28           H        LYS  28   8.961  -9.347  -6.923
  237   2HD   LYS  28           H        LYS  28  10.591  -9.880  -6.461
  238   1HE   LYS  28           H        LYS  28   9.432 -11.580  -4.908
  239   2HE   LYS  28           H        LYS  28   7.932 -11.184  -5.774
  240   1HZ   LYS  28           H        LYS  28   9.012 -11.827  -7.805
  241   2HZ   LYS  28           H        LYS  28  10.396 -12.211  -6.993
  242   3HZ   LYS  28           H        LYS  28   9.014 -13.071  -6.722
  243    H    ILE  29           H        ILE  29   6.324  -6.667  -3.537
  244    HA   ILE  29           HA       ILE  29   4.079  -7.892  -2.400
  245    HB   ILE  29           HB       ILE  29   4.886  -4.976  -2.714
  246   1HG1  ILE  29           HG12     ILE  29   4.837  -6.684  -0.201
  247   2HG1  ILE  29           HG11     ILE  29   6.213  -6.755  -1.323
  248   1HG2  ILE  29           HG23     ILE  29   2.592  -6.207  -1.127
  249   2HG2  ILE  29           HG22     ILE  29   3.233  -4.575  -0.831
  250   3HG2  ILE  29           HG21     ILE  29   2.483  -4.960  -2.393
  251   1HD1  ILE  29           HD13     ILE  29   6.468  -4.271  -1.118
  252   2HD1  ILE  29           HD11     ILE  29   5.165  -4.266   0.092
  253   3HD1  ILE  29           HD12     ILE  29   6.687  -5.119   0.429
  254    H    LEU  30           H        LEU  30   4.216  -5.603  -5.191
  255    HA   LEU  30           HA       LEU  30   1.444  -5.270  -5.564
  256   1HB   LEU  30           HB2      LEU  30   3.848  -5.195  -7.403
  257   2HB   LEU  30           HB1      LEU  30   2.210  -4.956  -8.048
  258    HG   LEU  30           HG       LEU  30   3.291  -3.351  -5.693
  259   1HD1  LEU  30           HD11     LEU  30   4.731  -3.006  -7.694
  260   2HD1  LEU  30           HD13     LEU  30   3.284  -2.626  -8.659
  261   3HD1  LEU  30           HD12     LEU  30   3.770  -1.557  -7.322
  262   1HD2  LEU  30           HD23     LEU  30   0.898  -3.180  -7.560
  263   2HD2  LEU  30           HD21     LEU  30   0.921  -3.180  -5.781
  264   3HD2  LEU  30           HD22     LEU  30   1.482  -1.753  -6.677
  265    H    LEU  31           H        LEU  31   3.615  -7.889  -6.679
  266    HA   LEU  31           HA       LEU  31   1.553  -9.090  -8.351
  267   1HB   LEU  31           HB2      LEU  31   4.412  -9.626  -7.610
  268   2HB   LEU  31           HB1      LEU  31   3.448 -11.008  -8.165
  269    HG   LEU  31           HG       LEU  31   4.727  -9.767  -9.983
  270   1HD1  LEU  31           HD11     LEU  31   2.711 -11.222 -10.393
  271   2HD1  LEU  31           HD13     LEU  31   1.699  -9.761 -10.337
  272   3HD1  LEU  31           HD12     LEU  31   2.934  -9.937 -11.603
  273   1HD2  LEU  31           HD21     LEU  31   4.237  -7.468  -9.026
  274   2HD2  LEU  31           HD22     LEU  31   3.931  -7.634 -10.770
  275   3HD2  LEU  31           HD23     LEU  31   2.572  -7.644  -9.626
  276    H    HIS  32           H        HIS  32   3.073  -9.827  -5.171
  277    HA   HIS  32           HA       HIS  32   1.656 -12.303  -4.838
  278   1HB   HIS  32           HB2      HIS  32   3.057 -10.455  -2.873
  279   2HB   HIS  32           HB1      HIS  32   2.437 -12.066  -2.465
  280    HD1  HIS  32           HD1      HIS  32   3.359 -13.839  -4.714
  281    HD2  HIS  32           HD2      HIS  32   5.759 -10.780  -3.172
  282    HE1  HIS  32           HE1      HIS  32   5.775 -14.394  -5.284
  283    H    TYR  33           H        TYR  33   1.208  -9.087  -3.216
  284    HA   TYR  33           HA       TYR  33  -1.372 -10.035  -2.155
  285   1HB   TYR  33           HB1      TYR  33   0.522  -7.789  -1.655
  286   2HB   TYR  33           HB2      TYR  33  -1.191  -7.470  -1.334
  287    HD1  TYR  33           HD2      TYR  33   1.174 -10.365  -0.770
  288    HD2  TYR  33           HD1      TYR  33  -1.773  -7.706   0.899
  289    HE1  TYR  33           HE2      TYR  33   1.371 -11.518   1.422
  290    HE2  TYR  33           HE1      TYR  33  -1.572  -8.856   3.087
  291    HH   TYR  33           HH       TYR  33   0.633 -11.630   3.586
  292    H    LYS  34           H        LYS  34  -3.267  -8.524  -2.265
  293    HA   LYS  34           HA       LYS  34  -3.886  -8.047  -5.059
  294   1HB   LYS  34           H        LYS  34  -5.457  -9.030  -3.364
  295   2HB   LYS  34           H        LYS  34  -5.498  -7.453  -2.545
  296   1HG   LYS  34           H        LYS  34  -6.161  -6.522  -4.912
  297   2HG   LYS  34           H        LYS  34  -6.573  -8.212  -5.275
  298   1HD   LYS  34           H        LYS  34  -7.670  -6.567  -2.939
  299   2HD   LYS  34           H        LYS  34  -8.540  -6.941  -4.443
  300   1HE   LYS  34           H        LYS  34  -9.352  -8.644  -3.106
  301   2HE   LYS  34           H        LYS  34  -7.920  -9.457  -3.773
  302   1HZ   LYS  34           H        LYS  34  -7.990  -8.029  -1.198
  303   2HZ   LYS  34           H        LYS  34  -8.144  -9.664  -1.372
  304   3HZ   LYS  34           H        LYS  34  -6.739  -8.922  -1.798
  305    H    PHE  35           H        PHE  35  -3.331  -6.229  -6.114
  306    HA   PHE  35           HA       PHE  35  -3.873  -3.621  -4.857
  307   1HB   PHE  35           HB2      PHE  35  -1.148  -4.491  -5.877
  308   2HB   PHE  35           HB1      PHE  35  -1.618  -2.793  -5.718
  309    HD1  PHE  35           HD1      PHE  35  -2.326  -1.930  -3.412
  310    HD2  PHE  35           HD2      PHE  35  -0.323  -5.693  -4.013
  311    HE1  PHE  35           HE1      PHE  35  -1.648  -1.948  -1.027
  312    HE2  PHE  35           HE2      PHE  35   0.355  -5.694  -1.629
  313    HZ   PHE  35           HZ       PHE  35  -0.306  -3.837  -0.149
  314    H    ASN  36           H        ASN  36  -3.642  -1.852  -6.515
  315    HA   ASN  36           HA       ASN  36  -4.495  -2.855  -9.188
  316   1HB   ASN  36           HB2      ASN  36  -5.898  -1.260  -7.574
  317   2HB   ASN  36           HB1      ASN  36  -4.842  -0.006  -8.255
  318   1HD2  ASN  36           HD21     ASN  36  -7.899  -1.634 -10.446
  319   2HD2  ASN  36           HD22     ASN  36  -7.549  -2.134  -8.805
  320    H    ASN  37           H        ASN  37  -3.974  -0.065 -10.271
  321    HA   ASN  37           HA       ASN  37  -1.182  -0.495 -10.996
  322   1HB   ASN  37           HB2      ASN  37  -3.155   1.734 -11.657
  323   2HB   ASN  37           HB1      ASN  37  -1.550   1.535 -12.395
  324   1HD2  ASN  37           HD21     ASN  37  -2.479  -1.454 -14.251
  325   2HD2  ASN  37           HD22     ASN  37  -1.157  -0.779 -13.327
  326    H    ARG  38           H        ARG  38  -0.737  -0.336  -8.494
  327    HA   ARG  38           HA       ARG  38  -0.556   2.434  -7.515
  328   1HB   ARG  38           H        ARG  38  -0.875  -0.112  -6.333
  329   2HB   ARG  38           H        ARG  38   0.775   0.384  -5.906
  330   1HG   ARG  38           H        ARG  38  -0.486   1.332  -4.175
  331   2HG   ARG  38           H        ARG  38  -0.332   2.692  -5.309
  332   1HD   ARG  38           H        ARG  38  -2.649   2.558  -4.603
  333   2HD   ARG  38           H        ARG  38  -2.564   2.019  -6.296
  334    HE   ARG  38           H        ARG  38  -2.271  -0.252  -4.623
  335   1HH1  ARG  38           H        ARG  38  -4.721   2.214  -5.318
  336   2HH1  ARG  38           H        ARG  38  -6.069   1.100  -5.168
  337   1HH2  ARG  38           H        ARG  38  -4.066  -1.682  -4.366
  338   2HH2  ARG  38           H        ARG  38  -5.693  -1.111  -4.681
  339    H    THR  39           H        THR  39   1.172   3.685  -7.949
  340    HA   THR  39           HA       THR  39   3.556   2.570  -9.168
  341    HB   THR  39           HB       THR  39   3.187   5.382  -8.078
  342    HG1  THR  39           HG1      THR  39   2.204   4.226 -10.474
  343   1HG2  THR  39           HG23     THR  39   4.735   4.157 -10.401
  344   2HG2  THR  39           HG21     THR  39   4.557   5.907 -10.136
  345   3HG2  THR  39           HG22     THR  39   5.413   4.911  -8.939
  346    H    SER  40           H        SER  40   5.747   2.874  -8.293
  347    HA   SER  40           HA       SER  40   6.112   1.795  -5.731
  348   1HB   SER  40           HB1      SER  40   7.826   1.784  -7.497
  349   2HB   SER  40           HB2      SER  40   7.982   3.554  -7.378
  350    HG   SER  40           HG       SER  40   9.569   2.457  -6.148
  351    H    VAL  41           H        VAL  41   6.228   5.243  -6.789
  352    HA   VAL  41           HA       VAL  41   6.930   6.306  -4.254
  353    HB   VAL  41           HB       VAL  41   7.122   7.487  -6.450
  354   1HG1  VAL  41           HG11     VAL  41   4.836   6.786  -7.293
  355   2HG1  VAL  41           HG13     VAL  41   4.124   7.964  -6.167
  356   3HG1  VAL  41           HG12     VAL  41   5.188   8.517  -7.478
  357   1HG2  VAL  41           HG21     VAL  41   7.180   8.697  -4.266
  358   2HG2  VAL  41           HG22     VAL  41   6.513   9.694  -5.580
  359   3HG2  VAL  41           HG23     VAL  41   5.423   8.954  -4.385
  360    H    MET  42           H        MET  42   3.741   5.486  -5.693
  361    HA   MET  42           HA       MET  42   2.161   6.797  -3.698
  362   1HB   MET  42           HB1      MET  42   1.597   4.424  -5.526
  363   2HB   MET  42           HB2      MET  42   0.375   5.183  -4.484
  364   1HG   MET  42           HG2      MET  42   0.730   7.341  -5.600
  365   2HG   MET  42           HG1      MET  42   2.000   6.632  -6.608
  366   1HE   MET  42           HE3      MET  42  -0.241   8.296  -7.903
  367   2HE   MET  42           HE1      MET  42   0.999   7.423  -8.835
  368   3HE   MET  42           HE2      MET  42  -0.718   7.269  -9.275
  369    H    LEU  43           H        LEU  43   3.363   3.415  -4.033
  370    HA   LEU  43           HA       LEU  43   2.175   2.427  -1.639
  371   1HB   LEU  43           HB2      LEU  43   4.677   1.596  -3.169
  372   2HB   LEU  43           HB1      LEU  43   3.962   0.659  -1.842
  373    HG   LEU  43           HG       LEU  43   2.224   1.489  -4.173
  374   1HD1  LEU  43           HD11     LEU  43   4.073  -0.933  -4.087
  375   2HD1  LEU  43           HD13     LEU  43   2.839  -0.611  -5.324
  376   3HD1  LEU  43           HD12     LEU  43   4.244   0.464  -5.175
  377   1HD2  LEU  43           HD21     LEU  43   1.253   0.435  -2.123
  378   2HD2  LEU  43           HD23     LEU  43   1.041  -0.580  -3.566
  379   3HD2  LEU  43           HD22     LEU  43   2.302  -0.977  -2.376
  380    H    LYS  44           H        LYS  44   5.442   3.771  -2.318
  381    HA   LYS  44           HA       LYS  44   6.500   3.432   0.277
  382   1HB   LYS  44           H        LYS  44   7.728   3.956  -1.881
  383   2HB   LYS  44           H        LYS  44   7.163   5.632  -1.720
  384   1HG   LYS  44           H        LYS  44   9.402   5.485  -0.804
  385   2HG   LYS  44           H        LYS  44   8.273   5.724   0.548
  386   1HD   LYS  44           H        LYS  44   8.457   3.459   1.248
  387   2HD   LYS  44           H        LYS  44   9.123   2.939  -0.319
  388   1HE   LYS  44           H        LYS  44  11.180   4.257   0.123
  389   2HE   LYS  44           H        LYS  44  10.517   4.758   1.694
  390   1HZ   LYS  44           H        LYS  44  11.046   1.980   0.896
  391   2HZ   LYS  44           H        LYS  44  12.021   2.894   1.861
  392   3HZ   LYS  44           H        LYS  44  10.506   2.485   2.374
  393    H    ASP  45           H        ASP  45   4.804   6.258  -1.201
  394    HA   ASP  45           HA       ASP  45   5.054   7.938   1.098
  395   1HB   ASP  45           H        ASP  45   4.568   8.831  -1.118
  396   2HB   ASP  45           H        ASP  45   3.044   7.920  -1.186
  397    H    ARG  46           H        ARG  46   2.388   5.796  -0.058
  398    HA   ARG  46           HA       ARG  46   0.544   6.401   1.978
  399   1HB   ARG  46           H        ARG  46   0.029   5.125  -0.093
  400   2HB   ARG  46           H        ARG  46   0.987   3.760   0.521
  401   1HG   ARG  46           H        ARG  46  -1.287   3.236   1.044
  402   2HG   ARG  46           H        ARG  46  -0.570   3.776   2.572
  403   1HD   ARG  46           H        ARG  46  -1.517   6.037   2.218
  404   2HD   ARG  46           H        ARG  46  -2.212   5.500   0.673
  405    HE   ARG  46           H        ARG  46  -3.047   3.807   2.873
  406   1HH1  ARG  46           H        ARG  46  -3.617   6.918   1.267
  407   2HH1  ARG  46           H        ARG  46  -5.273   7.046   1.810
  408   1HH2  ARG  46           H        ARG  46  -5.201   4.003   3.625
  409   2HH2  ARG  46           H        ARG  46  -6.191   5.364   3.127
  410    H    TRP  47           H        TRP  47   3.129   3.888   1.861
  411    HA   TRP  47           HA       TRP  47   2.518   2.819   4.447
  412   1HB   TRP  47           HB2      TRP  47   3.763   1.554   2.797
  413   2HB   TRP  47           HB1      TRP  47   5.032   2.786   2.751
  414    HD1  TRP  47           HD1      TRP  47   7.079   1.904   3.867
  415    HE1  TRP  47           HE1      TRP  47   7.701   0.533   5.957
  416    HE3  TRP  47           HE3      TRP  47   2.361   0.894   5.585
  417    HZ2  TRP  47           HZ2      TRP  47   6.326  -0.804   8.077
  418    HZ3  TRP  47           HZ3      TRP  47   2.063  -0.433   7.658
  419    HH2  TRP  47           HH2      TRP  47   4.032  -1.285   8.902
  420    H    ARG  48           H        ARG  48   4.707   5.409   3.286
  421    HA   ARG  48           HA       ARG  48   6.154   5.827   5.671
  422   1HB   ARG  48           H        ARG  48   6.893   6.840   3.636
  423   2HB   ARG  48           H        ARG  48   5.341   7.664   3.395
  424   1HG   ARG  48           H        ARG  48   5.728   9.111   5.303
  425   2HG   ARG  48           H        ARG  48   7.190   8.200   5.754
  426   1HD   ARG  48           H        ARG  48   8.463   9.164   4.101
  427   2HD   ARG  48           H        ARG  48   7.108   9.259   2.958
  428    HE   ARG  48           H        ARG  48   7.938  11.283   4.905
  429   1HH1  ARG  48           H        ARG  48   5.265  10.035   2.935
  430   2HH1  ARG  48           H        ARG  48   4.471  11.583   2.785
  431   1HH2  ARG  48           H        ARG  48   6.838  13.309   4.770
  432   2HH2  ARG  48           H        ARG  48   5.342  13.440   3.878
  433    H    THR  49           H        THR  49   3.100   7.447   4.539
  434    HA   THR  49           HA       THR  49   2.877   9.007   6.941
  435    HB   THR  49           HB       THR  49   1.845   9.637   4.768
  436    HG1  THR  49           HG1      THR  49   1.041  10.451   6.747
  437   1HG2  THR  49           HG21     THR  49  -0.056   7.335   5.399
  438   2HG2  THR  49           HG23     THR  49  -0.322   8.566   4.145
  439   3HG2  THR  49           HG22     THR  49   1.051   7.453   4.014
  440    H    MET  50           H        MET  50   2.080   5.670   6.202
  441    HA   MET  50           HA       MET  50   0.109   5.425   8.352
  442   1HB   MET  50           HB1      MET  50   1.476   3.517   6.442
  443   2HB   MET  50           HB2      MET  50   0.515   2.916   7.811
  444   1HG   MET  50           HG2      MET  50  -1.458   4.030   7.035
  445   2HG   MET  50           HG1      MET  50  -0.546   4.964   5.842
  446   1HE   MET  50           HE3      MET  50  -1.908   1.504   6.917
  447   2HE   MET  50           HE2      MET  50  -1.478   0.441   5.557
  448   3HE   MET  50           HE1      MET  50  -0.207   1.067   6.632
  449    H    LYS  51           H        LYS  51   3.611   4.819   7.888
  450    HA   LYS  51           HA       LYS  51   4.055   3.248  10.199
  451   1HB   LYS  51           H        LYS  51   5.741   5.082   8.501
  452   2HB   LYS  51           H        LYS  51   6.401   4.467  10.031
  453   1HG   LYS  51           H        LYS  51   5.727   2.131   9.265
  454   2HG   LYS  51           H        LYS  51   5.380   2.835   7.670
  455   1HD   LYS  51           H        LYS  51   8.065   3.148   9.085
  456   2HD   LYS  51           H        LYS  51   7.713   1.820   7.958
  457   1HE   LYS  51           H        LYS  51   7.051   3.601   6.249
  458   2HE   LYS  51           H        LYS  51   7.733   4.806   7.362
  459   1HZ   LYS  51           H        LYS  51   9.211   2.508   6.269
  460   2HZ   LYS  51           H        LYS  51   9.287   4.047   5.675
  461   3HZ   LYS  51           H        LYS  51   9.825   3.727   7.201
  462    H    LYS  52           H        LYS  52   3.773   6.804   9.820
  463    HA   LYS  52           HA       LYS  52   4.564   7.276  12.599
  464   1HB   LYS  52           H        LYS  52   4.103   9.624  12.067
  465   2HB   LYS  52           H        LYS  52   5.096   8.887  10.794
  466   1HG   LYS  52           H        LYS  52   3.437   9.028   9.217
  467   2HG   LYS  52           H        LYS  52   2.141   8.703  10.381
  468   1HD   LYS  52           H        LYS  52   3.675  11.329  10.363
  469   2HD   LYS  52           H        LYS  52   2.227  11.074   9.364
  470   1HE   LYS  52           H        LYS  52   2.322  10.726  12.398
  471   2HE   LYS  52           H        LYS  52   1.726  12.172  11.564
  472   1HZ   LYS  52           H        LYS  52   0.069  10.787  10.513
  473   2HZ   LYS  52           H        LYS  52   0.600   9.459  11.337
  474   3HZ   LYS  52           H        LYS  52  -0.059  10.730  12.155
  475    H    LEU  53           H        LEU  53   1.929   5.734  11.559
  476    HA   LEU  53           HA       LEU  53  -0.234   5.492  12.245
  477   1HB   LEU  53           HB1      LEU  53   0.830   6.884  14.744
  478   2HB   LEU  53           HB2      LEU  53  -0.709   6.006  14.629
  479    HG   LEU  53           HG       LEU  53   1.157   4.186  13.593
  480   1HD1  LEU  53           HD12     LEU  53   3.004   5.627  14.428
  481   2HD1  LEU  53           HD13     LEU  53   2.306   5.567  16.063
  482   3HD1  LEU  53           HD11     LEU  53   2.937   4.084  15.307
  483   1HD2  LEU  53           HD23     LEU  53   0.085   4.463  16.437
  484   2HD2  LEU  53           HD21     LEU  53  -0.750   3.675  15.077
  485   3HD2  LEU  53           HD22     LEU  53   0.753   2.975  15.725
   
  No H/Q in entry =         485
  Start of MODEL    7
    1   1H    ARG   1           H2       ARG   1 -23.061   8.488  -1.504
    2   2H    ARG   1           H3       ARG   1 -23.661   7.006  -1.098
    3   3H    ARG   1           H1       ARG   1 -22.588   7.763  -0.101
    4    HA   ARG   1           HA       ARG   1 -21.485   6.031  -1.256
    5   1HB   ARG   1           H        ARG   1 -21.227   6.422  -3.808
    6   2HB   ARG   1           H        ARG   1 -22.740   5.703  -3.215
    7   1HG   ARG   1           H        ARG   1 -23.928   7.787  -3.427
    8   2HG   ARG   1           H        ARG   1 -22.425   8.700  -3.688
    9   1HD   ARG   1           H        ARG   1 -22.043   7.452  -5.800
   10   2HD   ARG   1           H        ARG   1 -23.562   6.568  -5.552
   11    HE   ARG   1           H        ARG   1 -23.231   9.330  -6.474
   12   1HH1  ARG   1           H        ARG   1 -25.435   6.982  -4.982
   13   2HH1  ARG   1           H        ARG   1 -26.882   7.812  -5.501
   14   1HH2  ARG   1           H        ARG   1 -25.148  10.409  -7.159
   15   2HH2  ARG   1           H        ARG   1 -26.719   9.769  -6.735
   16    H    LYS   2           H        LYS   2 -20.008   7.215   0.121
   17    HA   LYS   2           HA       LYS   2 -18.749   9.636  -0.894
   18   1HB   LYS   2           H        LYS   2 -19.112   9.123   1.537
   19   2HB   LYS   2           H        LYS   2 -17.915   7.815   1.404
   20   1HG   LYS   2           H        LYS   2 -16.202   9.451   0.672
   21   2HG   LYS   2           H        LYS   2 -17.394  10.763   0.786
   22   1HD   LYS   2           H        LYS   2 -16.808   8.974   3.171
   23   2HD   LYS   2           H        LYS   2 -15.762  10.362   2.802
   24   1HE   LYS   2           H        LYS   2 -18.787  10.585   3.115
   25   2HE   LYS   2           H        LYS   2 -17.646  10.823   4.453
   26   1HZ   LYS   2           H        LYS   2 -16.624  12.574   3.168
   27   2HZ   LYS   2           H        LYS   2 -17.732  12.377   1.963
   28   3HZ   LYS   2           H        LYS   2 -18.217  12.888   3.453
   29    H    ARG   3           H        ARG   3 -17.461   6.345  -0.089
   30    HA   ARG   3           HA       ARG   3 -15.680   5.176  -0.912
   31   1HB   ARG   3           H        ARG   3 -17.014   6.349  -3.337
   32   2HB   ARG   3           H        ARG   3 -15.449   5.545  -3.561
   33   1HG   ARG   3           H        ARG   3 -17.476   4.114  -1.871
   34   2HG   ARG   3           H        ARG   3 -17.801   4.209  -3.616
   35   1HD   ARG   3           H        ARG   3 -16.564   2.187  -3.272
   36   2HD   ARG   3           H        ARG   3 -15.441   3.337  -4.012
   37    HE   ARG   3           H        ARG   3 -15.446   2.391  -1.186
   38   1HH1  ARG   3           H        ARG   3 -13.835   4.223  -3.788
   39   2HH1  ARG   3           H        ARG   3 -12.446   4.619  -2.802
   40   1HH2  ARG   3           H        ARG   3 -13.462   2.665  -0.053
   41   2HH2  ARG   3           H        ARG   3 -12.120   3.507  -0.805
   42    H    GLN   4           H        GLN   4 -14.224   6.493   0.385
   43    HA   GLN   4           HA       GLN   4 -12.862   8.770  -0.735
   44   1HB   GLN   4           HB2      GLN   4 -11.997   6.882   1.503
   45   2HB   GLN   4           HB1      GLN   4 -11.362   8.513   1.190
   46   1HG   GLN   4           HG2      GLN   4 -12.928   9.057   2.788
   47   2HG   GLN   4           HG1      GLN   4 -13.969   9.147   1.353
   48   1HE2  GLN   4           HE21     GLN   4 -14.406   6.095   4.120
   49   2HE2  GLN   4           HE22     GLN   4 -12.973   7.099   4.105
   50    H    ALA   5           H        ALA   5 -10.315   8.651  -0.816
   51    HA   ALA   5           HA       ALA   5  -9.595   7.082  -3.062
   52   1HB   ALA   5           HB3      ALA   5  -8.466   9.181  -2.398
   53   2HB   ALA   5           HB1      ALA   5  -7.831   8.380  -0.941
   54   3HB   ALA   5           HB2      ALA   5  -7.301   7.846  -2.554
   55    H    TRP   6           H        TRP   6  -8.495   5.147  -3.291
   56    HA   TRP   6           HA       TRP   6  -7.808   3.028  -2.794
   57   1HB   TRP   6           HB2      TRP   6  -7.017   4.388  -0.200
   58   2HB   TRP   6           HB1      TRP   6  -6.694   2.689  -0.519
   59    HD1  TRP   6           HD1      TRP   6  -6.171   5.689  -2.898
   60    HE1  TRP   6           HE1      TRP   6  -3.719   5.751  -3.670
   61    HE3  TRP   6           HE3      TRP   6  -4.352   1.796  -0.111
   62    HZ2  TRP   6           HZ2      TRP   6  -1.311   4.309  -3.152
   63    HZ3  TRP   6           HZ3      TRP   6  -1.956   1.183  -0.278
   64    HH2  TRP   6           HH2      TRP   6  -0.442   2.425  -1.795
   65    H    LEU   7           H        LEU   7  -8.082   1.213  -0.912
   66    HA   LEU   7           HA       LEU   7 -10.858   1.450   0.153
   67   1HB   LEU   7           HB1      LEU   7  -9.634  -0.926  -1.306
   68   2HB   LEU   7           HB2      LEU   7 -11.215  -0.912  -0.499
   69    HG   LEU   7           HG       LEU   7 -11.406   1.319  -2.118
   70   1HD1  LEU   7           HD13     LEU   7  -9.248   0.769  -3.226
   71   2HD1  LEU   7           HD12     LEU   7  -9.883  -0.836  -3.654
   72   3HD1  LEU   7           HD11     LEU   7 -10.612   0.627  -4.358
   73   1HD2  LEU   7           HD21     LEU   7 -12.129  -1.568  -2.783
   74   2HD2  LEU   7           HD22     LEU   7 -13.110  -0.433  -1.823
   75   3HD2  LEU   7           HD23     LEU   7 -12.833  -0.125  -3.553
   76    H    TRP   8           H        TRP   8 -11.294  -0.199   1.857
   77    HA   TRP   8           HA       TRP   8  -9.387   0.021   3.922
   78   1HB   TRP   8           HB1      TRP   8 -10.898  -1.254   5.215
   79   2HB   TRP   8           HB2      TRP   8 -11.893  -0.318   4.094
   80    HD1  TRP   8           HD1      TRP   8 -11.108  -3.798   5.173
   81    HE1  TRP   8           HE1      TRP   8 -12.534  -5.531   3.912
   82    HE3  TRP   8           HE3      TRP   8 -13.090  -0.749   1.562
   83    HZ2  TRP   8           HZ2      TRP   8 -14.281  -5.581   1.660
   84    HZ3  TRP   8           HZ3      TRP   8 -14.639  -1.689  -0.129
   85    HH2  TRP   8           HH2      TRP   8 -15.237  -4.098  -0.088
   86    H    GLU   9           H        GLU   9 -10.148  -2.757   1.724
   87    HA   GLU   9           HA       GLU   9  -8.348  -4.527   3.083
   88   1HB   GLU   9           H        GLU   9  -8.835  -6.099   1.404
   89   2HB   GLU   9           H        GLU   9 -10.327  -5.160   1.581
   90   1HG   GLU   9           H        GLU   9  -8.246  -4.490  -0.542
   91   2HG   GLU   9           H        GLU   9  -9.503  -5.698  -0.812
   92    H    GLU  10           H        GLU  10  -7.910  -2.077   0.563
   93    HA   GLU  10           HA       GLU  10  -5.353  -3.065  -0.337
   94   1HB   GLU  10           H        GLU  10  -6.573  -0.276  -0.486
   95   2HB   GLU  10           H        GLU  10  -5.142  -0.822  -1.383
   96   1HG   GLU  10           H        GLU  10  -7.779  -2.308  -1.611
   97   2HG   GLU  10           H        GLU  10  -7.467  -0.859  -2.579
   98    H    ASP  11           H        ASP  11  -6.410  -0.553   2.025
   99    HA   ASP  11           HA       ASP  11  -3.777   0.246   2.792
  100   1HB   ASP  11           H        ASP  11  -6.479   0.320   4.186
  101   2HB   ASP  11           H        ASP  11  -5.006   0.983   4.923
  102    H    LYS  12           H        LYS  12  -6.031  -2.243   4.098
  103    HA   LYS  12           HA       LYS  12  -4.362  -3.122   6.229
  104   1HB   LYS  12           H        LYS  12  -6.701  -3.745   6.114
  105   2HB   LYS  12           H        LYS  12  -6.465  -4.534   4.537
  106   1HG   LYS  12           H        LYS  12  -5.043  -6.240   5.538
  107   2HG   LYS  12           H        LYS  12  -5.077  -5.405   7.110
  108   1HD   LYS  12           H        LYS  12  -7.433  -5.834   7.381
  109   2HD   LYS  12           H        LYS  12  -7.590  -6.401   5.702
  110   1HE   LYS  12           H        LYS  12  -5.785  -7.761   7.745
  111   2HE   LYS  12           H        LYS  12  -7.482  -8.225   7.500
  112   1HZ   LYS  12           H        LYS  12  -6.963  -8.663   5.205
  113   2HZ   LYS  12           H        LYS  12  -5.383  -8.258   5.444
  114   3HZ   LYS  12           H        LYS  12  -6.019  -9.575   6.204
  115    H    ASN  13           H        ASN  13  -4.652  -4.161   2.805
  116    HA   ASN  13           HA       ASN  13  -2.832  -6.308   2.844
  117   1HB   ASN  13           HB2      ASN  13  -3.888  -4.390   0.789
  118   2HB   ASN  13           HB1      ASN  13  -2.487  -5.369   0.357
  119   1HD2  ASN  13           HD22     ASN  13  -5.069  -7.575  -0.798
  120   2HD2  ASN  13           HD21     ASN  13  -3.996  -6.274  -1.278
  121    H    LEU  14           H        LEU  14  -2.272  -2.781   2.506
  122    HA   LEU  14           HA       LEU  14   0.430  -2.877   1.735
  123   1HB   LEU  14           HB2      LEU  14  -1.117  -0.855   1.847
  124   2HB   LEU  14           HB1      LEU  14  -0.832  -0.829   3.599
  125    HG   LEU  14           HG       LEU  14   1.649  -0.668   3.132
  126   1HD1  LEU  14           HD12     LEU  14   0.590  -0.482   0.286
  127   2HD1  LEU  14           HD13     LEU  14   2.165   0.197   0.754
  128   3HD1  LEU  14           HD11     LEU  14   1.868  -1.546   0.915
  129   1HD2  LEU  14           HD22     LEU  14  -0.125   1.493   1.916
  130   2HD2  LEU  14           HD21     LEU  14   0.282   1.328   3.640
  131   3HD2  LEU  14           HD23     LEU  14   1.553   1.717   2.458
  132    H    ARG  15           H        ARG  15  -1.008  -2.794   5.049
  133    HA   ARG  15           HA       ARG  15   1.470  -2.768   6.433
  134   1HB   ARG  15           H        ARG  15  -1.187  -3.955   7.322
  135   2HB   ARG  15           H        ARG  15   0.161  -3.490   8.378
  136   1HG   ARG  15           H        ARG  15  -0.070  -1.130   7.447
  137   2HG   ARG  15           H        ARG  15  -1.568  -1.659   6.656
  138   1HD   ARG  15           H        ARG  15  -2.559  -2.246   8.802
  139   2HD   ARG  15           H        ARG  15  -1.036  -1.906   9.648
  140    HE   ARG  15           H        ARG  15  -3.037   0.020   8.768
  141   1HH1  ARG  15           H        ARG  15   0.413  -0.442   9.456
  142   2HH1  ARG  15           H        ARG  15   0.703   1.250   9.813
  143   1HH2  ARG  15           H        ARG  15  -2.662   2.219   9.395
  144   2HH2  ARG  15           H        ARG  15  -1.044   2.749   9.804
  145    H    SER  16           H        SER  16  -0.697  -5.532   5.588
  146    HA   SER  16           HA       SER  16   0.893  -7.563   6.735
  147   1HB   SER  16           HB2      SER  16  -1.448  -7.837   5.969
  148   2HB   SER  16           HB1      SER  16  -0.911  -7.691   4.279
  149    HG   SER  16           HG       SER  16   0.304  -9.560   4.544
  150    H    GLY  17           H        GLY  17   0.805  -6.435   3.307
  151   1HA   GLY  17           HA2      GLY  17   2.768  -8.172   2.301
  152   2HA   GLY  17           HA1      GLY  17   2.339  -6.590   1.619
  153    H    VAL  18           H        VAL  18   3.176  -4.744   3.413
  154    HA   VAL  18           HA       VAL  18   5.969  -4.651   2.953
  155    HB   VAL  18           HB       VAL  18   4.164  -3.119   4.868
  156   1HG1  VAL  18           HG13     VAL  18   7.115  -2.858   4.220
  157   2HG1  VAL  18           HG12     VAL  18   6.150  -1.458   4.732
  158   3HG1  VAL  18           HG11     VAL  18   6.323  -2.858   5.814
  159   1HG2  VAL  18           HG23     VAL  18   3.782  -2.874   2.388
  160   2HG2  VAL  18           HG22     VAL  18   4.327  -1.370   3.163
  161   3HG2  VAL  18           HG21     VAL  18   5.472  -2.352   2.218
  162    H    ARG  19           H        ARG  19   4.124  -5.535   5.930
  163    HA   ARG  19           HA       ARG  19   6.399  -5.798   7.613
  164   1HB   ARG  19           H        ARG  19   3.619  -7.018   7.641
  165   2HB   ARG  19           H        ARG  19   4.809  -7.359   8.913
  166   1HG   ARG  19           H        ARG  19   4.183  -4.496   8.120
  167   2HG   ARG  19           H        ARG  19   3.126  -5.370   9.249
  168   1HD   ARG  19           H        ARG  19   6.135  -4.981   9.595
  169   2HD   ARG  19           H        ARG  19   4.885  -4.040  10.427
  170    HE   ARG  19           H        ARG  19   5.778  -6.743  11.055
  171   1HH1  ARG  19           H        ARG  19   3.068  -4.464  11.259
  172   2HH1  ARG  19           H        ARG  19   2.366  -5.220  12.669
  173   1HH2  ARG  19           H        ARG  19   4.835  -7.737  12.909
  174   2HH2  ARG  19           H        ARG  19   3.363  -7.095  13.598
  175    H    LYS  20           H        LYS  20   4.839  -8.097   5.348
  176    HA   LYS  20           HA       LYS  20   6.430 -10.345   6.276
  177   1HB   LYS  20           H        LYS  20   4.559  -9.851   3.942
  178   2HB   LYS  20           H        LYS  20   5.471 -11.369   4.114
  179   1HG   LYS  20           H        LYS  20   4.486 -11.775   6.309
  180   2HG   LYS  20           H        LYS  20   3.664 -10.196   6.273
  181   1HD   LYS  20           H        LYS  20   2.407 -10.924   4.245
  182   2HD   LYS  20           H        LYS  20   3.181 -12.521   4.353
  183   1HE   LYS  20           H        LYS  20   1.475 -11.252   6.545
  184   2HE   LYS  20           H        LYS  20   0.893 -12.463   5.384
  185   1HZ   LYS  20           H        LYS  20   2.571 -13.963   6.234
  186   2HZ   LYS  20           H        LYS  20   3.040 -12.844   7.352
  187   3HZ   LYS  20           H        LYS  20   1.523 -13.489   7.418
  188    H    TYR  21           H        TYR  21   6.376  -8.515   3.135
  189    HA   TYR  21           HA       TYR  21   8.855  -9.750   2.300
  190   1HB   TYR  21           HB2      TYR  21   7.304  -7.375   1.204
  191   2HB   TYR  21           HB1      TYR  21   8.681  -8.151   0.406
  192    HD1  TYR  21           HD1      TYR  21   8.411 -10.858   0.251
  193    HD2  TYR  21           HD2      TYR  21   5.191  -8.005   0.446
  194    HE1  TYR  21           HE1      TYR  21   6.882 -12.507  -0.805
  195    HE2  TYR  21           HE2      TYR  21   3.669  -9.653  -0.613
  196    HH   TYR  21           HH       TYR  21   3.453 -11.753  -1.495
  197    H    GLY  22           H        GLY  22   8.165  -6.211   2.662
  198   1HA   GLY  22           HA1      GLY  22   9.940  -5.497   4.610
  199   2HA   GLY  22           HA2      GLY  22  10.988  -5.708   3.190
  200    H    GLU  23           H        GLU  23  10.674  -3.229   4.485
  201    HA   GLU  23           HA       GLU  23   8.727  -1.578   3.102
  202   1HB   GLU  23           H        GLU  23  11.197  -0.858   4.752
  203   2HB   GLU  23           H        GLU  23   9.912   0.269   4.254
  204   1HG   GLU  23           H        GLU  23   8.255  -1.137   5.490
  205   2HG   GLU  23           H        GLU  23   9.576  -2.180   6.045
  206    H    GLY  24           H        GLY  24   9.392  -2.411   0.901
  207   1HA   GLY  24           HA1      GLY  24  10.675  -0.519  -0.640
  208   2HA   GLY  24           HA2      GLY  24  11.982  -1.616  -0.146
  209    H    ASN  25           H        ASN  25   9.932  -3.917  -0.028
  210    HA   ASN  25           HA       ASN  25  10.314  -4.763  -2.794
  211   1HB   ASN  25           HB2      ASN  25   8.894  -6.075  -0.442
  212   2HB   ASN  25           HB1      ASN  25   9.297  -6.866  -1.981
  213   1HD2  ASN  25           HD21     ASN  25  12.900  -6.813  -1.322
  214   2HD2  ASN  25           HD22     ASN  25  11.779  -6.419  -2.607
  215    H    TRP  26           H        TRP  26   8.861  -2.599  -3.164
  216    HA   TRP  26           HA       TRP  26   6.040  -2.831  -2.884
  217   1HB   TRP  26           HB2      TRP  26   7.621  -1.274  -4.949
  218   2HB   TRP  26           HB1      TRP  26   5.970  -0.950  -4.404
  219    HD1  TRP  26           HD1      TRP  26   9.267   0.333  -3.950
  220    HE1  TRP  26           HE1      TRP  26   9.594   1.640  -1.758
  221    HE3  TRP  26           HE3      TRP  26   5.092  -1.245  -1.444
  222    HZ2  TRP  26           HZ2      TRP  26   8.239   1.938   0.736
  223    HZ3  TRP  26           HZ3      TRP  26   4.647  -0.420   0.850
  224    HH2  TRP  26           HH2      TRP  26   6.215   1.160   1.945
  225    H    SER  27           H        SER  27   8.309  -3.801  -5.482
  226    HA   SER  27           HA       SER  27   6.441  -4.399  -7.494
  227   1HB   SER  27           HB1      SER  27   8.984  -5.951  -6.867
  228   2HB   SER  27           HB2      SER  27   8.189  -5.763  -8.449
  229    HG   SER  27           HG       SER  27   9.900  -4.304  -8.256
  230    H    LYS  28           H        LYS  28   7.727  -6.526  -4.865
  231    HA   LYS  28           HA       LYS  28   6.243  -8.840  -5.595
  232   1HB   LYS  28           H        LYS  28   7.387  -7.870  -2.943
  233   2HB   LYS  28           H        LYS  28   6.620  -9.460  -3.150
  234   1HG   LYS  28           H        LYS  28   8.250  -9.909  -5.039
  235   2HG   LYS  28           H        LYS  28   9.092  -8.407  -4.587
  236   1HD   LYS  28           H        LYS  28   9.503  -9.284  -2.324
  237   2HD   LYS  28           H        LYS  28   8.559 -10.745  -2.694
  238   1HE   LYS  28           H        LYS  28  10.895 -11.312  -2.920
  239   2HE   LYS  28           H        LYS  28  10.193 -11.254  -4.551
  240   1HZ   LYS  28           H        LYS  28  11.729  -9.094  -3.278
  241   2HZ   LYS  28           H        LYS  28  12.307 -10.137  -4.417
  242   3HZ   LYS  28           H        LYS  28  11.111  -9.072  -4.807
  243    H    ILE  29           H        ILE  29   5.586  -6.302  -3.117
  244    HA   ILE  29           HA       ILE  29   3.139  -7.246  -2.173
  245    HB   ILE  29           HB       ILE  29   4.187  -4.413  -2.581
  246   1HG1  ILE  29           HG11     ILE  29   3.893  -6.002  -0.004
  247   2HG1  ILE  29           HG12     ILE  29   5.337  -6.156  -1.024
  248   1HG2  ILE  29           HG21     ILE  29   1.754  -5.406  -1.033
  249   2HG2  ILE  29           HG22     ILE  29   2.450  -3.778  -0.876
  250   3HG2  ILE  29           HG23     ILE  29   1.753  -4.293  -2.423
  251   1HD1  ILE  29           HD12     ILE  29   5.666  -3.682  -0.883
  252   2HD1  ILE  29           HD13     ILE  29   4.281  -3.586   0.225
  253   3HD1  ILE  29           HD11     ILE  29   5.741  -4.477   0.702
  254    H    LEU  30           H        LEU  30   3.762  -5.148  -5.034
  255    HA   LEU  30           HA       LEU  30   1.063  -4.723  -5.766
  256   1HB   LEU  30           HB1      LEU  30   3.372  -3.730  -6.635
  257   2HB   LEU  30           HB2      LEU  30   3.278  -5.054  -7.808
  258    HG   LEU  30           HG       LEU  30   2.299  -3.169  -8.883
  259   1HD1  LEU  30           HD11     LEU  30   0.944  -5.331  -8.962
  260   2HD1  LEU  30           HD13     LEU  30  -0.130  -4.595  -7.744
  261   3HD1  LEU  30           HD12     LEU  30   0.055  -3.841  -9.340
  262   1HD2  LEU  30           HD22     LEU  30   0.737  -2.725  -6.309
  263   2HD2  LEU  30           HD21     LEU  30   2.027  -1.702  -6.976
  264   3HD2  LEU  30           HD23     LEU  30   0.468  -1.834  -7.819
  265    H    LEU  31           H        LEU  31   3.418  -7.212  -6.906
  266    HA   LEU  31           HA       LEU  31   1.400  -8.525  -8.527
  267   1HB   LEU  31           HB2      LEU  31   4.042  -8.309  -8.774
  268   2HB   LEU  31           HB1      LEU  31   4.035  -9.785  -7.784
  269    HG   LEU  31           HG       LEU  31   2.203 -10.591  -9.530
  270   1HD1  LEU  31           HD11     LEU  31   2.041  -8.384 -10.677
  271   2HD1  LEU  31           HD13     LEU  31   3.761  -8.501 -11.122
  272   3HD1  LEU  31           HD12     LEU  31   2.587  -9.663 -11.787
  273   1HD2  LEU  31           HD21     LEU  31   5.171 -10.370 -10.200
  274   2HD2  LEU  31           HD22     LEU  31   4.407 -11.643  -9.218
  275   3HD2  LEU  31           HD23     LEU  31   4.030 -11.509 -10.952
  276    H    HIS  32           H        HIS  32   1.046  -8.406  -5.410
  277    HA   HIS  32           HA       HIS  32   0.308 -11.267  -5.212
  278   1HB   HIS  32           HB2      HIS  32   2.180  -9.821  -3.307
  279   2HB   HIS  32           HB1      HIS  32   1.285 -11.279  -2.846
  280    HD1  HIS  32           HD1      HIS  32   1.601 -13.150  -5.190
  281    HD2  HIS  32           HD2      HIS  32   4.725 -10.700  -3.865
  282    HE1  HIS  32           HE1      HIS  32   3.785 -14.177  -5.993
  283    H    TYR  33           H        TYR  33   0.475  -8.315  -3.111
  284    HA   TYR  33           HA       TYR  33  -2.110  -9.083  -1.950
  285   1HB   TYR  33           HB2      TYR  33   0.081  -7.120  -1.330
  286   2HB   TYR  33           HB1      TYR  33  -1.519  -6.884  -0.624
  287    HD1  TYR  33           HD1      TYR  33  -2.537  -8.625   0.841
  288    HD2  TYR  33           HD2      TYR  33   1.540  -8.859  -0.517
  289    HE1  TYR  33           HE1      TYR  33  -2.046 -10.284   2.616
  290    HE2  TYR  33           HE2      TYR  33   2.033 -10.525   1.264
  291    HH   TYR  33           HH       TYR  33  -0.491 -11.677   3.530
  292    H    LYS  34           H        LYS  34  -2.969  -8.651  -4.355
  293    HA   LYS  34           HA       LYS  34  -4.465  -7.423  -5.588
  294   1HB   LYS  34           H        LYS  34  -5.426  -7.408  -3.180
  295   2HB   LYS  34           H        LYS  34  -4.931  -5.706  -3.135
  296   1HG   LYS  34           H        LYS  34  -6.348  -5.205  -5.080
  297   2HG   LYS  34           H        LYS  34  -6.715  -6.932  -5.295
  298   1HD   LYS  34           H        LYS  34  -7.897  -7.014  -3.176
  299   2HD   LYS  34           H        LYS  34  -7.380  -5.363  -2.762
  300   1HE   LYS  34           H        LYS  34  -8.846  -5.728  -5.355
  301   2HE   LYS  34           H        LYS  34  -9.792  -5.908  -3.863
  302   1HZ   LYS  34           H        LYS  34  -8.074  -3.587  -4.405
  303   2HZ   LYS  34           H        LYS  34  -9.682  -3.640  -4.782
  304   3HZ   LYS  34           H        LYS  34  -9.205  -3.758  -3.205
  305    H    PHE  35           H        PHE  35  -4.773  -4.418  -4.448
  306    HA   PHE  35           HA       PHE  35  -4.082  -2.347  -5.041
  307   1HB   PHE  35           HB2      PHE  35  -1.414  -3.703  -5.551
  308   2HB   PHE  35           HB1      PHE  35  -1.686  -1.961  -5.658
  309    HD1  PHE  35           HD1      PHE  35  -3.013  -0.970  -3.510
  310    HD2  PHE  35           HD2      PHE  35  -0.542  -4.497  -3.532
  311    HE1  PHE  35           HE1      PHE  35  -2.693  -0.764  -1.062
  312    HE2  PHE  35           HE2      PHE  35  -0.232  -4.282  -1.076
  313    HZ   PHE  35           HZ       PHE  35  -1.304  -2.415   0.150
  314    H    ASN  36           H        ASN  36  -3.614  -0.967  -6.898
  315    HA   ASN  36           HA       ASN  36  -4.605  -2.275  -9.358
  316   1HB   ASN  36           HB1      ASN  36  -5.491  -0.085  -8.133
  317   2HB   ASN  36           HB2      ASN  36  -4.178   0.697  -9.035
  318   1HD2  ASN  36           HD21     ASN  36  -7.483   0.616 -10.980
  319   2HD2  ASN  36           HD22     ASN  36  -7.105   1.043  -9.326
  320    H    ASN  37           H        ASN  37  -3.559  -0.207 -11.133
  321    HA   ASN  37           HA       ASN  37  -0.938  -1.366 -11.632
  322   1HB   ASN  37           HB1      ASN  37  -0.994   0.047 -13.647
  323   2HB   ASN  37           HB2      ASN  37  -2.502  -0.869 -13.463
  324   1HD2  ASN  37           HD21     ASN  37  -3.274   2.710 -14.392
  325   2HD2  ASN  37           HD22     ASN  37  -2.273   1.453 -15.087
  326    H    ARG  38           H        ARG  38  -0.465  -0.419  -9.256
  327    HA   ARG  38           HA       ARG  38   0.482   2.371  -9.356
  328   1HB   ARG  38           H        ARG  38   0.743   0.255  -7.175
  329   2HB   ARG  38           H        ARG  38   1.055   1.991  -6.999
  330   1HG   ARG  38           H        ARG  38  -1.647   0.753  -7.715
  331   2HG   ARG  38           H        ARG  38  -1.175   1.330  -6.104
  332   1HD   ARG  38           H        ARG  38  -2.254   3.217  -6.874
  333   2HD   ARG  38           H        ARG  38  -0.607   3.570  -7.442
  334    HE   ARG  38           H        ARG  38  -1.945   2.109  -9.474
  335   1HH1  ARG  38           H        ARG  38  -2.104   5.246  -7.842
  336   2HH1  ARG  38           H        ARG  38  -2.784   6.080  -9.219
  337   1HH2  ARG  38           H        ARG  38  -2.864   3.206 -11.283
  338   2HH2  ARG  38           H        ARG  38  -3.181   4.926 -11.192
  339    H    THR  39           H        THR  39   2.895   2.000  -7.780
  340    HA   THR  39           HA       THR  39   4.577   0.217  -9.422
  341    HB   THR  39           HB       THR  39   5.115   3.217  -9.260
  342    HG1  THR  39           HG1      THR  39   3.892   1.548 -11.148
  343   1HG2  THR  39           HG22     THR  39   6.498   0.927 -10.732
  344   2HG2  THR  39           HG23     THR  39   6.888   2.652 -10.927
  345   3HG2  THR  39           HG21     THR  39   7.168   1.849  -9.365
  346    H    SER  40           H        SER  40   5.671   3.027  -7.493
  347    HA   SER  40           HA       SER  40   6.366   1.240  -5.242
  348   1HB   SER  40           HB2      SER  40   8.367   2.812  -6.921
  349   2HB   SER  40           HB1      SER  40   8.732   2.117  -5.325
  350    HG   SER  40           HG       SER  40   9.299   0.725  -7.070
  351    H    VAL  41           H        VAL  41   6.891   4.556  -6.584
  352    HA   VAL  41           HA       VAL  41   7.098   5.853  -4.095
  353    HB   VAL  41           HB       VAL  41   6.599   7.922  -5.360
  354   1HG1  VAL  41           HG11     VAL  41   8.847   6.812  -5.470
  355   2HG1  VAL  41           HG12     VAL  41   8.331   5.985  -6.959
  356   3HG1  VAL  41           HG13     VAL  41   8.460   7.758  -6.927
  357   1HG2  VAL  41           HG22     VAL  41   5.863   5.975  -7.595
  358   2HG2  VAL  41           HG21     VAL  41   4.795   7.163  -6.813
  359   3HG2  VAL  41           HG23     VAL  41   6.143   7.715  -7.829
  360    H    MET  42           H        MET  42   4.233   4.851  -5.949
  361    HA   MET  42           HA       MET  42   2.317   6.430  -4.548
  362   1HB   MET  42           HB1      MET  42   2.126   3.775  -6.022
  363   2HB   MET  42           HB2      MET  42   0.713   4.663  -5.407
  364   1HG   MET  42           HG1      MET  42   2.574   6.344  -6.969
  365   2HG   MET  42           HG2      MET  42   1.899   5.001  -7.900
  366   1HE   MET  42           HE3      MET  42   1.171   8.164  -5.750
  367   2HE   MET  42           HE2      MET  42  -0.599   8.319  -5.844
  368   3HE   MET  42           HE1      MET  42   0.126   6.981  -4.925
  369    H    LEU  43           H        LEU  43   3.320   2.989  -4.129
  370    HA   LEU  43           HA       LEU  43   1.752   2.533  -1.795
  371   1HB   LEU  43           HB2      LEU  43   4.268   1.218  -2.887
  372   2HB   LEU  43           HB1      LEU  43   3.363   0.598  -1.487
  373    HG   LEU  43           HG       LEU  43   1.845   1.184  -4.029
  374   1HD1  LEU  43           HD11     LEU  43   3.599  -1.258  -3.535
  375   2HD1  LEU  43           HD13     LEU  43   2.346  -1.152  -4.793
  376   3HD1  LEU  43           HD12     LEU  43   3.761  -0.076  -4.856
  377   1HD2  LEU  43           HD21     LEU  43   0.720   0.473  -1.903
  378   2HD2  LEU  43           HD22     LEU  43   0.483  -0.689  -3.227
  379   3HD2  LEU  43           HD23     LEU  43   1.663  -1.034  -1.941
  380    H    LYS  44           H        LYS  44   5.096   3.696  -2.298
  381    HA   LYS  44           HA       LYS  44   5.938   3.642   0.405
  382   1HB   LYS  44           H        LYS  44   7.355   4.000  -1.672
  383   2HB   LYS  44           H        LYS  44   6.724   5.660  -1.728
  384   1HG   LYS  44           H        LYS  44   7.547   5.907   0.698
  385   2HG   LYS  44           H        LYS  44   8.378   4.357   0.471
  386   1HD   LYS  44           H        LYS  44   9.933   6.210   0.037
  387   2HD   LYS  44           H        LYS  44   9.626   5.306  -1.462
  388   1HE   LYS  44           H        LYS  44   9.599   7.873  -1.635
  389   2HE   LYS  44           H        LYS  44   8.213   7.022  -2.337
  390   1HZ   LYS  44           H        LYS  44   8.251   8.225   0.344
  391   2HZ   LYS  44           H        LYS  44   7.603   8.933  -0.997
  392   3HZ   LYS  44           H        LYS  44   6.952   7.538  -0.407
  393    H    ASP  45           H        ASP  45   4.358   6.253  -1.534
  394    HA   ASP  45           HA       ASP  45   4.397   8.239   0.475
  395   1HB   ASP  45           H        ASP  45   3.902   8.670  -1.898
  396   2HB   ASP  45           H        ASP  45   2.369   7.784  -1.745
  397    H    ARG  46           H        ARG  46   2.105   5.566  -0.140
  398    HA   ARG  46           HA       ARG  46   0.180   6.470   1.825
  399   1HB   ARG  46           H        ARG  46  -0.237   4.916  -0.162
  400   2HB   ARG  46           H        ARG  46   0.610   3.651   0.754
  401   1HG   ARG  46           H        ARG  46  -1.626   3.255   1.337
  402   2HG   ARG  46           H        ARG  46  -1.084   4.279   2.681
  403   1HD   ARG  46           H        ARG  46  -2.140   6.218   1.757
  404   2HD   ARG  46           H        ARG  46  -2.376   5.429   0.180
  405    HE   ARG  46           H        ARG  46  -3.747   3.868   2.097
  406   1HH1  ARG  46           H        ARG  46  -3.888   7.099   0.644
  407   2HH1  ARG  46           H        ARG  46  -5.606   7.287   0.901
  408   1HH2  ARG  46           H        ARG  46  -6.009   4.126   2.454
  409   2HH2  ARG  46           H        ARG  46  -6.811   5.604   1.957
  410    H    TRP  47           H        TRP  47   2.978   4.232   1.777
  411    HA   TRP  47           HA       TRP  47   2.504   3.071   4.322
  412   1HB   TRP  47           HB2      TRP  47   3.963   2.120   2.573
  413   2HB   TRP  47           HB1      TRP  47   5.117   3.438   2.831
  414    HD1  TRP  47           HD1      TRP  47   7.080   2.631   4.174
  415    HE1  TRP  47           HE1      TRP  47   7.533   1.043   6.151
  416    HE3  TRP  47           HE3      TRP  47   2.310   0.961   4.967
  417    HZ2  TRP  47           HZ2      TRP  47   6.016  -0.703   7.839
  418    HZ3  TRP  47           HZ3      TRP  47   1.857  -0.658   6.774
  419    HH2  TRP  47           HH2      TRP  47   3.687  -1.507   8.208
  420    H    ARG  48           H        ARG  48   4.568   5.914   3.385
  421    HA   ARG  48           HA       ARG  48   5.797   6.282   5.883
  422   1HB   ARG  48           H        ARG  48   5.885   8.743   5.238
  423   2HB   ARG  48           H        ARG  48   6.567   7.602   4.058
  424   1HG   ARG  48           H        ARG  48   4.743   7.832   2.594
  425   2HG   ARG  48           H        ARG  48   3.678   8.484   3.852
  426   1HD   ARG  48           H        ARG  48   6.179   9.999   3.142
  427   2HD   ARG  48           H        ARG  48   4.795  10.082   2.036
  428    HE   ARG  48           H        ARG  48   5.013  11.271   4.696
  429   1HH1  ARG  48           H        ARG  48   2.897  10.428   1.961
  430   2HH1  ARG  48           H        ARG  48   1.481  11.173   2.673
  431   1HH2  ARG  48           H        ARG  48   3.152  12.327   5.563
  432   2HH2  ARG  48           H        ARG  48   1.661  12.364   4.652
  433    H    THR  49           H        THR  49   2.475   7.063   4.882
  434    HA   THR  49           HA       THR  49   1.922   8.592   7.306
  435    HB   THR  49           HB       THR  49   0.005   7.405   5.251
  436    HG1  THR  49           HG1      THR  49   0.244   9.336   4.192
  437   1HG2  THR  49           HG22     THR  49  -0.227   9.724   7.224
  438   2HG2  THR  49           HG21     THR  49  -1.457   9.268   6.022
  439   3HG2  THR  49           HG23     THR  49  -1.059   8.155   7.352
  440    H    MET  50           H        MET  50   0.861   5.416   5.940
  441    HA   MET  50           HA       MET  50  -0.592   4.553   8.203
  442   1HB   MET  50           HB2      MET  50   0.858   3.046   5.993
  443   2HB   MET  50           HB1      MET  50  -0.190   2.251   7.187
  444   1HG   MET  50           HG1      MET  50  -1.075   4.554   5.407
  445   2HG   MET  50           HG2      MET  50  -1.329   2.849   5.013
  446   1HE   MET  50           HE3      MET  50  -3.824   3.535   4.615
  447   2HE   MET  50           HE2      MET  50  -4.909   4.192   5.860
  448   3HE   MET  50           HE1      MET  50  -3.595   5.197   5.204
  449    H    LYS  51           H        LYS  51   2.863   4.786   7.742
  450    HA   LYS  51           HA       LYS  51   3.921   2.732   9.249
  451   1HB   LYS  51           H        LYS  51   5.188   4.519   8.028
  452   2HB   LYS  51           H        LYS  51   4.771   5.659   9.323
  453   1HG   LYS  51           H        LYS  51   6.942   4.891   9.890
  454   2HG   LYS  51           H        LYS  51   5.864   3.944  10.940
  455   1HD   LYS  51           H        LYS  51   6.006   2.022   9.437
  456   2HD   LYS  51           H        LYS  51   6.920   2.975   8.242
  457   1HE   LYS  51           H        LYS  51   8.744   3.285   9.907
  458   2HE   LYS  51           H        LYS  51   7.838   2.298  11.074
  459   1HZ   LYS  51           H        LYS  51   8.817   1.387   8.452
  460   2HZ   LYS  51           H        LYS  51   9.493   1.027   9.914
  461   3HZ   LYS  51           H        LYS  51   7.987   0.470   9.545
  462    H    LYS  52           H        LYS  52   2.801   5.922  10.534
  463    HA   LYS  52           HA       LYS  52   1.849   4.642  12.970
  464   1HB   LYS  52           H        LYS  52   4.433   5.004  13.194
  465   2HB   LYS  52           H        LYS  52   4.017   6.727  13.338
  466   1HG   LYS  52           H        LYS  52   2.553   6.241  15.259
  467   2HG   LYS  52           H        LYS  52   2.831   4.498  15.058
  468   1HD   LYS  52           H        LYS  52   4.256   5.291  16.855
  469   2HD   LYS  52           H        LYS  52   5.288   4.894  15.464
  470   1HE   LYS  52           H        LYS  52   4.268   7.709  15.605
  471   2HE   LYS  52           H        LYS  52   5.451   7.240  16.844
  472   1HZ   LYS  52           H        LYS  52   5.840   6.931  13.951
  473   2HZ   LYS  52           H        LYS  52   6.478   8.138  14.874
  474   3HZ   LYS  52           H        LYS  52   6.938   6.574  15.127
  475    H    LEU  53           H        LEU  53   0.506   6.000  10.954
  476    HA   LEU  53           HA       LEU  53  -0.591   8.255  12.472
  477   1HB   LEU  53           HB1      LEU  53   1.375   8.817  10.588
  478   2HB   LEU  53           HB2      LEU  53  -0.108   8.943   9.622
  479    HG   LEU  53           HG       LEU  53   0.411  11.131  10.520
  480   1HD1  LEU  53           HD11     LEU  53  -2.004  10.332  10.522
  481   2HD1  LEU  53           HD12     LEU  53  -1.822  10.018  12.264
  482   3HD1  LEU  53           HD13     LEU  53  -1.644  11.671  11.636
  483   1HD2  LEU  53           HD23     LEU  53   1.811  10.236  12.441
  484   2HD2  LEU  53           HD22     LEU  53   0.750  11.602  12.854
  485   3HD2  LEU  53           HD21     LEU  53   0.294   9.952  13.326
   
  No H/Q in entry =         485
  Start of MODEL    8
    1   1H    ARG   1           H2       ARG   1 -16.397  14.416   2.275
    2   2H    ARG   1           H3       ARG   1 -17.330  13.519   1.255
    3   3H    ARG   1           H1       ARG   1 -17.455  13.310   2.887
    4    HA   ARG   1           HA       ARG   1 -15.258  12.453   3.033
    5   1HB   ARG   1           H        ARG   1 -16.875  11.112   0.821
    6   2HB   ARG   1           H        ARG   1 -15.572  10.352   1.759
    7   1HG   ARG   1           H        ARG   1 -18.162  11.459   2.952
    8   2HG   ARG   1           H        ARG   1 -17.848   9.748   2.600
    9   1HD   ARG   1           H        ARG   1 -15.790   9.933   4.112
   10   2HD   ARG   1           H        ARG   1 -16.401  11.525   4.604
   11    HE   ARG   1           H        ARG   1 -18.064  10.515   5.866
   12   1HH1  ARG   1           H        ARG   1 -16.587   8.122   3.699
   13   2HH1  ARG   1           H        ARG   1 -17.311   6.751   4.503
   14   1HH2  ARG   1           H        ARG   1 -19.026   8.695   6.906
   15   2HH2  ARG   1           H        ARG   1 -18.722   7.080   6.313
   16    H    LYS   2           H        LYS   2 -13.362  11.617   1.847
   17    HA   LYS   2           HA       LYS   2 -12.429  13.593  -0.048
   18   1HB   LYS   2           H        LYS   2 -11.299  11.739   1.762
   19   2HB   LYS   2           H        LYS   2 -10.774  11.190   0.162
   20   1HG   LYS   2           H        LYS   2 -10.500  14.042   1.229
   21   2HG   LYS   2           H        LYS   2  -9.193  12.841   1.193
   22   1HD   LYS   2           H        LYS   2 -10.668  13.909  -1.263
   23   2HD   LYS   2           H        LYS   2  -9.053  14.416  -0.725
   24   1HE   LYS   2           H        LYS   2  -8.331  11.986  -0.906
   25   2HE   LYS   2           H        LYS   2  -9.896  11.649  -1.675
   26   1HZ   LYS   2           H        LYS   2  -9.323  13.302  -3.337
   27   2HZ   LYS   2           H        LYS   2  -7.829  13.480  -2.659
   28   3HZ   LYS   2           H        LYS   2  -8.270  12.028  -3.317
   29    H    ARG   3           H        ARG   3 -13.786  10.332  -0.223
   30    HA   ARG   3           HA       ARG   3 -14.517   9.061  -1.960
   31   1HB   ARG   3           H        ARG   3 -14.045  11.558  -3.647
   32   2HB   ARG   3           H        ARG   3 -14.901  10.100  -4.179
   33   1HG   ARG   3           H        ARG   3 -16.571  10.398  -2.390
   34   2HG   ARG   3           H        ARG   3 -15.706  11.839  -1.805
   35   1HD   ARG   3           H        ARG   3 -16.078  12.975  -3.947
   36   2HD   ARG   3           H        ARG   3 -16.867  11.530  -4.610
   37    HE   ARG   3           H        ARG   3 -18.011  13.506  -2.772
   38   1HH1  ARG   3           H        ARG   3 -18.210  10.168  -3.958
   39   2HH1  ARG   3           H        ARG   3 -19.922  10.017  -3.643
   40   1HH2  ARG   3           H        ARG   3 -20.275  13.298  -2.375
   41   2HH2  ARG   3           H        ARG   3 -21.091  11.788  -2.707
   42    H    GLN   4           H        GLN   4 -12.086  11.008  -3.785
   43    HA   GLN   4           HA       GLN   4 -10.905   8.566  -4.843
   44   1HB   GLN   4           HB1      GLN   4 -10.153  11.512  -5.083
   45   2HB   GLN   4           HB2      GLN   4  -9.376  10.190  -5.987
   46   1HG   GLN   4           HG1      GLN   4 -11.553   9.583  -6.991
   47   2HG   GLN   4           HG2      GLN   4 -12.349  10.879  -6.072
   48   1HE2  GLN   4           HE21     GLN   4  -9.954  11.791  -9.334
   49   2HE2  GLN   4           HE22     GLN   4  -9.805  10.245  -8.527
   50    H    ALA   5           H        ALA   5 -10.363   7.662  -2.665
   51    HA   ALA   5           HA       ALA   5  -7.614   8.504  -1.898
   52   1HB   ALA   5           HB1      ALA   5  -9.182   9.574  -0.301
   53   2HB   ALA   5           HB3      ALA   5  -9.903   7.986   0.052
   54   3HB   ALA   5           HB2      ALA   5  -8.208   8.315   0.490
   55    H    TRP   6           H        TRP   6  -6.926   6.718  -0.075
   56    HA   TRP   6           HA       TRP   6  -6.866   4.222  -1.520
   57   1HB   TRP   6           HB2      TRP   6  -5.852   5.217   1.145
   58   2HB   TRP   6           HB1      TRP   6  -5.790   3.496   0.746
   59    HD1  TRP   6           HD1      TRP   6  -4.620   6.806  -0.870
   60    HE1  TRP   6           HE1      TRP   6  -2.329   6.449  -1.993
   61    HE3  TRP   6           HE3      TRP   6  -4.032   1.810   0.075
   62    HZ2  TRP   6           HZ2      TRP   6  -0.514   4.286  -2.425
   63    HZ3  TRP   6           HZ3      TRP   6  -1.997   0.636  -0.720
   64    HH2  TRP   6           HH2      TRP   6  -0.243   1.864  -1.970
   65    H    LEU   7           H        LEU   7  -7.980   2.341  -1.172
   66    HA   LEU   7           HA       LEU   7 -10.433   2.517   0.414
   67   1HB   LEU   7           HB2      LEU   7  -9.204   0.566  -1.539
   68   2HB   LEU   7           HB1      LEU   7 -10.492   0.006  -0.452
   69    HG   LEU   7           HG       LEU   7 -11.946   1.887  -1.247
   70   1HD1  LEU   7           HD13     LEU   7  -9.556   2.372  -3.075
   71   2HD1  LEU   7           HD12     LEU   7 -11.189   2.978  -3.438
   72   3HD1  LEU   7           HD11     LEU   7 -10.345   3.528  -1.976
   73   1HD2  LEU   7           HD22     LEU   7 -12.069  -0.369  -2.274
   74   2HD2  LEU   7           HD23     LEU   7 -12.402   0.905  -3.471
   75   3HD2  LEU   7           HD21     LEU   7 -10.816   0.100  -3.448
   76    H    TRP   8           H        TRP   8 -10.978   0.994   2.108
   77    HA   TRP   8           HA       TRP   8  -8.994   0.690   4.080
   78   1HB   TRP   8           HB2      TRP   8 -10.650  -0.274   5.350
   79   2HB   TRP   8           HB1      TRP   8 -11.626   0.581   4.151
   80    HD1  TRP   8           HD1      TRP   8 -11.260  -2.669   5.737
   81    HE1  TRP   8           HE1      TRP   8 -12.586  -4.528   4.551
   82    HE3  TRP   8           HE3      TRP   8 -12.308  -0.249   1.343
   83    HZ2  TRP   8           HZ2      TRP   8 -13.911  -4.907   2.055
   84    HZ3  TRP   8           HZ3      TRP   8 -13.606  -1.405  -0.421
   85    HH2  TRP   8           HH2      TRP   8 -14.412  -3.726  -0.073
   86    H    GLU   9           H        GLU   9 -10.147  -1.563   1.550
   87    HA   GLU   9           HA       GLU   9  -8.646  -3.824   2.486
   88   1HB   GLU   9           H        GLU   9 -10.684  -3.881   1.005
   89   2HB   GLU   9           H        GLU   9  -9.684  -3.233  -0.318
   90   1HG   GLU   9           H        GLU   9  -8.258  -5.174  -0.296
   91   2HG   GLU   9           H        GLU   9  -8.963  -5.753   1.229
   92    H    GLU  10           H        GLU  10  -8.025  -1.165   0.172
   93    HA   GLU  10           HA       GLU  10  -5.623  -2.222  -0.935
   94   1HB   GLU  10           H        GLU  10  -7.061  -0.299  -1.808
   95   2HB   GLU  10           H        GLU  10  -6.331   0.714  -0.543
   96   1HG   GLU  10           H        GLU  10  -4.860   1.152  -2.262
   97   2HG   GLU  10           H        GLU  10  -4.063  -0.271  -1.572
   98    H    ASP  11           H        ASP  11  -6.236   0.030   1.826
   99    HA   ASP  11           HA       ASP  11  -3.478   0.351   2.528
  100   1HB   ASP  11           H        ASP  11  -6.110   0.713   3.993
  101   2HB   ASP  11           H        ASP  11  -4.557   0.950   4.817
  102    H    LYS  12           H        LYS  12  -6.038  -1.933   3.609
  103    HA   LYS  12           HA       LYS  12  -4.538  -3.249   5.617
  104   1HB   LYS  12           H        LYS  12  -6.927  -3.575   5.392
  105   2HB   LYS  12           H        LYS  12  -6.742  -4.210   3.745
  106   1HG   LYS  12           H        LYS  12  -5.130  -5.666   5.760
  107   2HG   LYS  12           H        LYS  12  -6.882  -5.749   6.048
  108   1HD   LYS  12           H        LYS  12  -7.260  -6.527   3.742
  109   2HD   LYS  12           H        LYS  12  -5.521  -6.394   3.392
  110   1HE   LYS  12           H        LYS  12  -5.020  -8.087   5.104
  111   2HE   LYS  12           H        LYS  12  -6.742  -8.189   5.532
  112   1HZ   LYS  12           H        LYS  12  -5.592  -8.855   2.910
  113   2HZ   LYS  12           H        LYS  12  -6.076  -9.942   4.052
  114   3HZ   LYS  12           H        LYS  12  -7.186  -8.965   3.320
  115    H    ASN  13           H        ASN  13  -4.794  -3.827   2.077
  116    HA   ASN  13           HA       ASN  13  -3.134  -6.140   2.004
  117   1HB   ASN  13           HB2      ASN  13  -4.667  -5.455   0.188
  118   2HB   ASN  13           HB1      ASN  13  -3.674  -4.016  -0.115
  119   1HD2  ASN  13           HD21     ASN  13  -2.218  -6.030  -2.664
  120   2HD2  ASN  13           HD22     ASN  13  -3.413  -4.800  -2.322
  121    H    LEU  14           H        LEU  14  -2.427  -2.627   1.619
  122    HA   LEU  14           HA       LEU  14   0.315  -2.869   0.976
  123   1HB   LEU  14           HB2      LEU  14  -0.906  -0.772   0.732
  124   2HB   LEU  14           HB1      LEU  14  -1.233  -0.711   2.474
  125    HG   LEU  14           HG       LEU  14   1.239  -0.557   2.900
  126   1HD1  LEU  14           HD13     LEU  14   1.313  -0.429  -0.144
  127   2HD1  LEU  14           HD12     LEU  14   2.665   0.064   0.903
  128   3HD1  LEU  14           HD11     LEU  14   2.115  -1.626   0.898
  129   1HD2  LEU  14           HD21     LEU  14  -0.223   1.462   2.707
  130   2HD2  LEU  14           HD23     LEU  14   1.449   1.775   2.187
  131   3HD2  LEU  14           HD22     LEU  14   0.167   1.548   0.974
  132    H    ARG  15           H        ARG  15  -1.205  -2.242   4.194
  133    HA   ARG  15           HA       ARG  15   1.172  -2.338   5.697
  134   1HB   ARG  15           H        ARG  15  -1.007  -1.467   6.497
  135   2HB   ARG  15           H        ARG  15  -1.660  -3.122   6.518
  136   1HG   ARG  15           H        ARG  15  -0.060  -3.800   8.221
  137   2HG   ARG  15           H        ARG  15   0.802  -2.248   8.093
  138   1HD   ARG  15           H        ARG  15  -1.224  -1.058   8.874
  139   2HD   ARG  15           H        ARG  15  -2.087  -2.608   9.002
  140    HE   ARG  15           H        ARG  15   0.291  -2.817  10.525
  141   1HH1  ARG  15           H        ARG  15  -2.751  -1.002  10.516
  142   2HH1  ARG  15           H        ARG  15  -2.794  -0.799  12.251
  143   1HH2  ARG  15           H        ARG  15   0.230  -2.545  12.818
  144   2HH2  ARG  15           H        ARG  15  -1.094  -1.680  13.564
  145    H    SER  16           H        SER  16  -1.235  -4.974   5.101
  146    HA   SER  16           HA       SER  16   0.094  -6.980   6.563
  147   1HB   SER  16           HB1      SER  16  -2.230  -7.113   5.673
  148   2HB   SER  16           HB2      SER  16  -1.574  -7.274   4.027
  149    HG   SER  16           HG       SER  16  -1.020  -9.012   6.208
  150    H    GLY  17           H        GLY  17   0.370  -6.112   3.077
  151   1HA   GLY  17           HA1      GLY  17   2.191  -8.140   2.345
  152   2HA   GLY  17           HA2      GLY  17   1.983  -6.579   1.525
  153    H    VAL  18           H        VAL  18   2.936  -4.652   2.961
  154    HA   VAL  18           HA       VAL  18   5.713  -4.844   2.871
  155    HB   VAL  18           HB       VAL  18   3.897  -3.044   4.531
  156   1HG1  VAL  18           HG13     VAL  18   6.903  -2.971   4.046
  157   2HG1  VAL  18           HG11     VAL  18   5.970  -1.536   4.530
  158   3HG1  VAL  18           HG12     VAL  18   6.045  -2.948   5.607
  159   1HG2  VAL  18           HG22     VAL  18   3.733  -2.962   2.009
  160   2HG2  VAL  18           HG21     VAL  18   4.295  -1.441   2.738
  161   3HG2  VAL  18           HG23     VAL  18   5.458  -2.539   1.958
  162    H    ARG  19           H        ARG  19   3.544  -5.371   5.695
  163    HA   ARG  19           HA       ARG  19   5.594  -5.704   7.624
  164   1HB   ARG  19           H        ARG  19   3.201  -5.330   8.129
  165   2HB   ARG  19           H        ARG  19   2.810  -6.942   7.491
  166   1HG   ARG  19           H        ARG  19   4.970  -6.898   9.545
  167   2HG   ARG  19           H        ARG  19   3.371  -6.394  10.137
  168   1HD   ARG  19           H        ARG  19   3.914  -8.968   8.594
  169   2HD   ARG  19           H        ARG  19   3.765  -8.857  10.361
  170    HE   ARG  19           H        ARG  19   1.452  -7.672   9.297
  171   1HH1  ARG  19           H        ARG  19   3.041 -10.835   9.310
  172   2HH1  ARG  19           H        ARG  19   1.555 -11.736   9.130
  173   1HH2  ARG  19           H        ARG  19  -0.512  -8.867   9.073
  174   2HH2  ARG  19           H        ARG  19  -0.474 -10.613   8.998
  175    H    LYS  20           H        LYS  20   4.156  -8.004   5.270
  176    HA   LYS  20           HA       LYS  20   5.829 -10.178   6.444
  177   1HB   LYS  20           H        LYS  20   3.145 -10.105   5.771
  178   2HB   LYS  20           H        LYS  20   3.861 -10.869   4.338
  179   1HG   LYS  20           H        LYS  20   4.400 -11.762   7.212
  180   2HG   LYS  20           H        LYS  20   3.168 -12.489   6.156
  181   1HD   LYS  20           H        LYS  20   4.985 -12.993   4.480
  182   2HD   LYS  20           H        LYS  20   6.179 -12.417   5.670
  183   1HE   LYS  20           H        LYS  20   5.390 -14.121   7.285
  184   2HE   LYS  20           H        LYS  20   4.198 -14.697   6.099
  185   1HZ   LYS  20           H        LYS  20   6.013 -15.256   4.647
  186   2HZ   LYS  20           H        LYS  20   7.117 -14.728   5.753
  187   3HZ   LYS  20           H        LYS  20   6.169 -16.034   6.093
  188    H    TYR  21           H        TYR  21   6.891  -7.980   4.614
  189    HA   TYR  21           HA       TYR  21   8.221  -9.847   2.757
  190   1HB   TYR  21           HB2      TYR  21   6.566  -7.473   1.864
  191   2HB   TYR  21           HB1      TYR  21   7.906  -8.091   0.888
  192    HD1  TYR  21           HD1      TYR  21   7.757 -10.962   0.990
  193    HD2  TYR  21           HD2      TYR  21   4.525  -8.113   0.913
  194    HE1  TYR  21           HE1      TYR  21   6.250 -12.690   0.050
  195    HE2  TYR  21           HE2      TYR  21   3.030  -9.845  -0.035
  196    HH   TYR  21           HH       TYR  21   4.151 -13.168  -0.719
  197    H    GLY  22           H        GLY  22   7.962  -6.558   4.142
  198   1HA   GLY  22           HA2      GLY  22  10.015  -5.793   5.293
  199   2HA   GLY  22           HA1      GLY  22  10.933  -6.325   3.868
  200    H    GLU  23           H        GLU  23  10.577  -3.619   5.182
  201    HA   GLU  23           HA       GLU  23   9.016  -1.971   3.426
  202   1HB   GLU  23           H        GLU  23  11.391  -1.243   5.199
  203   2HB   GLU  23           H        GLU  23  10.180  -0.120   4.537
  204   1HG   GLU  23           H        GLU  23   8.405  -1.484   5.753
  205   2HG   GLU  23           H        GLU  23   9.728  -2.350   6.562
  206    H    GLY  24           H        GLY  24   9.814  -0.452   1.831
  207   1HA   GLY  24           HA2      GLY  24  11.358   0.345   0.257
  208   2HA   GLY  24           HA1      GLY  24  12.533  -0.882   0.777
  209    H    ASN  25           H        ASN  25  10.577  -3.116   0.624
  210    HA   ASN  25           HA       ASN  25  10.848  -3.664  -2.234
  211   1HB   ASN  25           HB1      ASN  25   9.515  -5.270  -0.011
  212   2HB   ASN  25           HB2      ASN  25   9.919  -5.858  -1.634
  213   1HD2  ASN  25           HD22     ASN  25  13.595  -5.148  -0.506
  214   2HD2  ASN  25           HD21     ASN  25  12.525  -4.139  -1.449
  215    H    TRP  26           H        TRP  26   9.361  -3.176  -3.736
  216    HA   TRP  26           HA       TRP  26   6.526  -2.824  -2.855
  217   1HB   TRP  26           HB2      TRP  26   7.901  -1.244  -5.045
  218   2HB   TRP  26           HB1      TRP  26   6.315  -0.952  -4.318
  219    HD1  TRP  26           HD1      TRP  26   9.608   0.422  -4.285
  220    HE1  TRP  26           HE1      TRP  26  10.155   1.792  -2.177
  221    HE3  TRP  26           HE3      TRP  26   5.794  -1.180  -1.267
  222    HZ2  TRP  26           HZ2      TRP  26   9.095   2.128   0.451
  223    HZ3  TRP  26           HZ3      TRP  26   5.599  -0.300   1.041
  224    HH2  TRP  26           HH2      TRP  26   7.242   1.345   1.907
  225    H    SER  27           H        SER  27   8.664  -3.302  -5.735
  226    HA   SER  27           HA       SER  27   6.723  -4.334  -7.476
  227   1HB   SER  27           HB2      SER  27   9.637  -5.196  -7.279
  228   2HB   SER  27           HB1      SER  27   8.597  -5.232  -8.724
  229    HG   SER  27           HG       SER  27   8.466  -2.957  -8.585
  230    H    LYS  28           H        LYS  28   8.715  -5.978  -4.989
  231    HA   LYS  28           HA       LYS  28   8.026  -8.647  -5.559
  232   1HB   LYS  28           H        LYS  28   9.764  -7.708  -3.913
  233   2HB   LYS  28           H        LYS  28   8.414  -7.476  -2.777
  234   1HG   LYS  28           H        LYS  28   7.914 -10.034  -3.441
  235   2HG   LYS  28           H        LYS  28   9.655 -10.027  -3.793
  236   1HD   LYS  28           H        LYS  28   8.389  -9.135  -1.159
  237   2HD   LYS  28           H        LYS  28   9.146 -10.720  -1.440
  238   1HE   LYS  28           H        LYS  28  11.302  -9.635  -1.932
  239   2HE   LYS  28           H        LYS  28  10.561  -8.034  -1.736
  240   1HZ   LYS  28           H        LYS  28  10.025  -8.735   0.556
  241   2HZ   LYS  28           H        LYS  28  10.968 -10.068   0.333
  242   3HZ   LYS  28           H        LYS  28  11.636  -8.560   0.249
  243    H    ILE  29           H        ILE  29   6.427  -6.243  -3.402
  244    HA   ILE  29           HA       ILE  29   4.369  -7.996  -2.509
  245    HB   ILE  29           HB       ILE  29   4.172  -4.967  -2.751
  246   1HG1  ILE  29           HG11     ILE  29   5.624  -6.684  -0.682
  247   2HG1  ILE  29           HG12     ILE  29   6.334  -5.433  -1.723
  248   1HG2  ILE  29           HG22     ILE  29   2.175  -6.421  -2.045
  249   2HG2  ILE  29           HG23     ILE  29   3.122  -6.861  -0.608
  250   3HG2  ILE  29           HG21     ILE  29   2.663  -5.165  -0.888
  251   1HD1  ILE  29           HD12     ILE  29   4.807  -3.749  -0.614
  252   2HD1  ILE  29           HD11     ILE  29   4.340  -5.024   0.537
  253   3HD1  ILE  29           HD13     ILE  29   6.025  -4.467   0.466
  254    H    LEU  30           H        LEU  30   4.532  -5.611  -5.207
  255    HA   LEU  30           HA       LEU  30   1.870  -5.805  -6.099
  256   1HB   LEU  30           HB1      LEU  30   4.486  -4.944  -7.182
  257   2HB   LEU  30           HB2      LEU  30   3.383  -5.549  -8.431
  258    HG   LEU  30           HG       LEU  30   3.208  -3.081  -8.050
  259   1HD1  LEU  30           HD11     LEU  30   1.297  -4.439  -8.930
  260   2HD1  LEU  30           HD13     LEU  30   0.679  -4.596  -7.272
  261   3HD1  LEU  30           HD12     LEU  30   0.774  -2.995  -8.034
  262   1HD2  LEU  30           HD21     LEU  30   3.645  -3.147  -5.588
  263   2HD2  LEU  30           HD22     LEU  30   2.195  -2.216  -6.018
  264   3HD2  LEU  30           HD23     LEU  30   2.033  -3.850  -5.346
  265    H    LEU  31           H        LEU  31   4.720  -7.836  -6.917
  266    HA   LEU  31           HA       LEU  31   3.428  -9.450  -8.861
  267   1HB   LEU  31           HB2      LEU  31   5.797  -9.849  -7.010
  268   2HB   LEU  31           HB1      LEU  31   5.274 -11.126  -8.128
  269    HG   LEU  31           HG       LEU  31   5.752  -8.293  -9.116
  270   1HD1  LEU  31           HD12     LEU  31   7.811 -10.526  -8.831
  271   2HD1  LEU  31           HD11     LEU  31   8.064  -8.996  -9.704
  272   3HD1  LEU  31           HD13     LEU  31   7.811  -8.984  -7.944
  273   1HD2  LEU  31           HD23     LEU  31   5.886 -11.059 -10.404
  274   2HD2  LEU  31           HD21     LEU  31   4.592  -9.860 -10.629
  275   3HD2  LEU  31           HD22     LEU  31   6.229  -9.524 -11.236
  276    H    HIS  32           H        HIS  32   3.663  -9.759  -5.288
  277    HA   HIS  32           HA       HIS  32   2.313 -12.340  -5.290
  278   1HB   HIS  32           HB2      HIS  32   3.048 -10.374  -3.091
  279   2HB   HIS  32           HB1      HIS  32   2.317 -11.964  -2.807
  280    HD1  HIS  32           HD1      HIS  32   3.853 -13.922  -4.413
  281    HD2  HIS  32           HD2      HIS  32   5.735 -10.623  -2.658
  282    HE1  HIS  32           HE1      HIS  32   6.330 -14.464  -4.207
  283    H    TYR  33           H        TYR  33   1.366  -9.259  -3.634
  284    HA   TYR  33           HA       TYR  33  -1.464 -10.065  -3.938
  285   1HB   TYR  33           HB2      TYR  33  -0.118  -7.826  -2.383
  286   2HB   TYR  33           HB1      TYR  33  -1.856  -8.155  -2.391
  287    HD1  TYR  33           HD1      TYR  33  -2.276 -10.909  -1.997
  288    HD2  TYR  33           HD2      TYR  33   0.905  -8.480  -0.400
  289    HE1  TYR  33           HE1      TYR  33  -2.007 -12.499  -0.109
  290    HE2  TYR  33           HE2      TYR  33   1.167 -10.075   1.488
  291    HH   TYR  33           HH       TYR  33  -0.872 -12.995   1.814
  292    H    LYS  34           H        LYS  34  -2.822  -9.156  -5.361
  293    HA   LYS  34           HA       LYS  34  -1.797  -7.071  -7.163
  294   1HB   LYS  34           H        LYS  34  -4.351  -8.730  -7.078
  295   2HB   LYS  34           H        LYS  34  -4.001  -7.506  -8.321
  296   1HG   LYS  34           H        LYS  34  -2.099  -8.723  -9.130
  297   2HG   LYS  34           H        LYS  34  -2.084  -9.791  -7.708
  298   1HD   LYS  34           H        LYS  34  -3.038 -10.972  -9.644
  299   2HD   LYS  34           H        LYS  34  -4.282 -10.733  -8.395
  300   1HE   LYS  34           H        LYS  34  -5.227  -8.848  -9.609
  301   2HE   LYS  34           H        LYS  34  -3.889  -8.870 -10.779
  302   1HZ   LYS  34           H        LYS  34  -5.862 -11.014 -10.396
  303   2HZ   LYS  34           H        LYS  34  -5.853  -9.924 -11.634
  304   3HZ   LYS  34           H        LYS  34  -4.630 -11.021 -11.494
  305    H    PHE  35           H        PHE  35  -2.171  -4.954  -6.843
  306    HA   PHE  35           HA       PHE  35  -4.145  -4.122  -4.804
  307   1HB   PHE  35           HB2      PHE  35  -1.945  -2.692  -6.333
  308   2HB   PHE  35           HB1      PHE  35  -3.073  -1.864  -5.252
  309    HD1  PHE  35           HD2      PHE  35  -0.515  -4.604  -5.329
  310    HD2  PHE  35           HD1      PHE  35  -2.679  -1.763  -2.928
  311    HE1  PHE  35           HE2      PHE  35   0.914  -5.157  -3.382
  312    HE2  PHE  35           HE1      PHE  35  -1.250  -2.318  -0.981
  313    HZ   PHE  35           HZ       PHE  35   0.549  -4.017  -1.204
  314    H    ASN  36           H        ASN  36  -5.040  -1.698  -5.646
  315    HA   ASN  36           HA       ASN  36  -6.934  -2.485  -7.733
  316   1HB   ASN  36           HB1      ASN  36  -7.598  -1.187  -5.716
  317   2HB   ASN  36           HB2      ASN  36  -6.585   0.161  -6.269
  318   1HD2  ASN  36           HD22     ASN  36  -8.882   1.367  -8.664
  319   2HD2  ASN  36           HD21     ASN  36  -7.284   1.491  -7.963
  320    H    ASN  37           H        ASN  37  -4.730   0.349  -7.334
  321    HA   ASN  37           HA       ASN  37  -3.864   0.110 -10.127
  322   1HB   ASN  37           HB1      ASN  37  -6.091   1.438 -10.039
  323   2HB   ASN  37           HB2      ASN  37  -5.153   2.715  -9.237
  324   1HD2  ASN  37           HD21     ASN  37  -3.226   3.556 -12.167
  325   2HD2  ASN  37           HD22     ASN  37  -3.135   3.462 -10.419
  326    H    ARG  38           H        ARG  38  -2.239  -0.435  -8.216
  327    HA   ARG  38           HA       ARG  38  -0.760   2.060  -7.498
  328   1HB   ARG  38           H        ARG  38  -0.621  -0.661  -6.137
  329   2HB   ARG  38           H        ARG  38   0.031   0.884  -5.548
  330   1HG   ARG  38           H        ARG  38  -2.931   0.278  -5.960
  331   2HG   ARG  38           H        ARG  38  -2.086   0.218  -4.401
  332   1HD   ARG  38           H        ARG  38  -1.535   2.602  -4.571
  333   2HD   ARG  38           H        ARG  38  -2.310   2.690  -6.168
  334    HE   ARG  38           H        ARG  38  -4.196   1.632  -4.338
  335   1HH1  ARG  38           H        ARG  38  -2.453   4.645  -5.017
  336   2HH1  ARG  38           H        ARG  38  -3.695   5.672  -4.341
  337   1HH2  ARG  38           H        ARG  38  -5.820   2.987  -3.446
  338   2HH2  ARG  38           H        ARG  38  -5.615   4.724  -3.433
  339    H    THR  39           H        THR  39   1.710   1.478  -7.162
  340    HA   THR  39           HA       THR  39   2.646  -0.546  -9.088
  341    HB   THR  39           HB       THR  39   3.347   2.405  -9.420
  342    HG1  THR  39           HG1      THR  39   1.466   0.704 -10.614
  343   1HG2  THR  39           HG22     THR  39   4.024  -0.099 -11.028
  344   2HG2  THR  39           HG21     THR  39   4.391   1.568 -11.534
  345   3HG2  THR  39           HG23     THR  39   5.164   0.889 -10.082
  346    H    SER  40           H        SER  40   4.050   2.401  -7.493
  347    HA   SER  40           HA       SER  40   5.567   0.735  -5.636
  348   1HB   SER  40           HB1      SER  40   6.928   0.458  -7.653
  349   2HB   SER  40           HB2      SER  40   6.967   2.221  -7.902
  350    HG   SER  40           HG       SER  40   7.978   0.831  -5.640
  351    H    VAL  41           H        VAL  41   5.727   3.980  -7.246
  352    HA   VAL  41           HA       VAL  41   6.600   5.385  -4.966
  353    HB   VAL  41           HB       VAL  41   6.616   6.219  -7.328
  354   1HG1  VAL  41           HG12     VAL  41   4.245   5.465  -7.848
  355   2HG1  VAL  41           HG11     VAL  41   3.663   6.830  -6.866
  356   3HG1  VAL  41           HG13     VAL  41   4.616   7.133  -8.335
  357   1HG2  VAL  41           HG22     VAL  41   6.894   7.745  -5.375
  358   2HG2  VAL  41           HG23     VAL  41   6.114   8.551  -6.756
  359   3HG2  VAL  41           HG21     VAL  41   5.136   8.027  -5.365
  360    H    MET  42           H        MET  42   3.330   4.437  -6.018
  361    HA   MET  42           HA       MET  42   1.829   6.016  -4.202
  362   1HB   MET  42           HB2      MET  42   1.373   3.369  -5.620
  363   2HB   MET  42           HB1      MET  42   0.158   4.051  -4.521
  364   1HG   MET  42           HG1      MET  42   1.358   5.626  -6.817
  365   2HG   MET  42           HG2      MET  42  -0.093   4.630  -6.996
  366   1HE   MET  42           HE2      MET  42  -0.064   7.625  -7.818
  367   2HE   MET  42           HE3      MET  42  -1.514   6.596  -7.889
  368   3HE   MET  42           HE1      MET  42  -1.599   8.200  -7.123
  369    H    LEU  43           H        LEU  43   3.070   2.640  -3.935
  370    HA   LEU  43           HA       LEU  43   2.076   2.158  -1.314
  371   1HB   LEU  43           HB2      LEU  43   4.380   0.966  -2.915
  372   2HB   LEU  43           HB1      LEU  43   3.918   0.384  -1.303
  373    HG   LEU  43           HG       LEU  43   1.488   0.252  -2.373
  374   1HD1  LEU  43           HD12     LEU  43   3.354   0.115  -4.782
  375   2HD1  LEU  43           HD11     LEU  43   1.680  -0.482  -4.779
  376   3HD1  LEU  43           HD13     LEU  43   2.003   1.242  -4.537
  377   1HD2  LEU  43           HD22     LEU  43   2.808  -1.655  -1.503
  378   2HD2  LEU  43           HD21     LEU  43   1.968  -2.088  -3.008
  379   3HD2  LEU  43           HD23     LEU  43   3.711  -1.729  -3.034
  380    H    LYS  44           H        LYS  44   5.236   3.348  -2.529
  381    HA   LYS  44           HA       LYS  44   6.597   3.479  -0.079
  382   1HB   LYS  44           H        LYS  44   7.540   3.775  -2.398
  383   2HB   LYS  44           H        LYS  44   6.835   5.406  -2.426
  384   1HG   LYS  44           H        LYS  44   8.120   5.833  -0.232
  385   2HG   LYS  44           H        LYS  44   8.999   4.327  -0.577
  386   1HD   LYS  44           H        LYS  44   8.815   6.732  -2.455
  387   2HD   LYS  44           H        LYS  44  10.206   6.352  -1.411
  388   1HE   LYS  44           H        LYS  44  10.387   4.119  -2.572
  389   2HE   LYS  44           H        LYS  44   9.110   4.645  -3.691
  390   1HZ   LYS  44           H        LYS  44  10.518   6.466  -4.333
  391   2HZ   LYS  44           H        LYS  44  11.706   5.966  -3.304
  392   3HZ   LYS  44           H        LYS  44  11.279   5.026  -4.590
  393    H    ASP  45           H        ASP  45   4.870   6.175  -1.774
  394    HA   ASP  45           HA       ASP  45   5.173   8.079   0.274
  395   1HB   ASP  45           H        ASP  45   4.469   8.655  -1.986
  396   2HB   ASP  45           H        ASP  45   2.969   7.720  -1.796
  397    H    ARG  46           H        ARG  46   2.344   5.922  -0.385
  398    HA   ARG  46           HA       ARG  46   0.744   6.790   1.744
  399   1HB   ARG  46           H        ARG  46  -0.066   5.367  -0.072
  400   2HB   ARG  46           H        ARG  46   0.978   4.033   0.466
  401   1HG   ARG  46           H        ARG  46  -1.375   3.739   1.227
  402   2HG   ARG  46           H        ARG  46  -0.255   3.893   2.595
  403   1HD   ARG  46           H        ARG  46  -0.917   6.142   3.024
  404   2HD   ARG  46           H        ARG  46  -1.735   6.287   1.453
  405    HE   ARG  46           H        ARG  46  -3.079   4.219   2.703
  406   1HH1  ARG  46           H        ARG  46  -2.213   7.522   3.671
  407   2HH1  ARG  46           H        ARG  46  -3.655   7.763   4.627
  408   1HH2  ARG  46           H        ARG  46  -5.056   4.609   3.838
  409   2HH2  ARG  46           H        ARG  46  -5.243   6.081   4.772
  410    H    TRP  47           H        TRP  47   3.243   4.182   1.693
  411    HA   TRP  47           HA       TRP  47   2.786   3.405   4.413
  412   1HB   TRP  47           HB1      TRP  47   3.918   2.035   2.645
  413   2HB   TRP  47           HB2      TRP  47   5.311   3.124   2.751
  414    HD1  TRP  47           HD1      TRP  47   7.139   2.231   4.231
  415    HE1  TRP  47           HE1      TRP  47   7.371   0.680   6.281
  416    HE3  TRP  47           HE3      TRP  47   2.194   1.164   4.987
  417    HZ2  TRP  47           HZ2      TRP  47   5.640  -0.805   7.993
  418    HZ3  TRP  47           HZ3      TRP  47   1.521  -0.317   6.855
  419    HH2  TRP  47           HH2      TRP  47   3.234  -1.311   8.356
  420    H    ARG  48           H        ARG  48   4.803   5.901   2.861
  421    HA   ARG  48           HA       ARG  48   6.478   6.410   5.118
  422   1HB   ARG  48           H        ARG  48   6.303   7.302   2.475
  423   2HB   ARG  48           H        ARG  48   5.927   8.753   3.422
  424   1HG   ARG  48           H        ARG  48   8.319   6.950   3.990
  425   2HG   ARG  48           H        ARG  48   8.400   8.372   2.926
  426   1HD   ARG  48           H        ARG  48   7.746   9.852   4.740
  427   2HD   ARG  48           H        ARG  48   7.449   8.479   5.821
  428    HE   ARG  48           H        ARG  48  10.027   9.667   5.132
  429   1HH1  ARG  48           H        ARG  48   8.333   6.815   6.393
  430   2HH1  ARG  48           H        ARG  48   9.746   6.162   7.185
  431   1HH2  ARG  48           H        ARG  48  11.886   8.790   6.180
  432   2HH2  ARG  48           H        ARG  48  11.768   7.295   7.075
  433    H    THR  49           H        THR  49   3.541   8.191   3.914
  434    HA   THR  49           HA       THR  49   3.522  10.032   6.065
  435    HB   THR  49           HB       THR  49   2.276  10.370   3.966
  436    HG1  THR  49           HG1      THR  49   0.399  11.167   4.998
  437   1HG2  THR  49           HG22     THR  49   1.443   8.054   3.655
  438   2HG2  THR  49           HG23     THR  49   0.371   8.251   5.059
  439   3HG2  THR  49           HG21     THR  49   0.122   9.237   3.603
  440    H    MET  50           H        MET  50   2.050   6.756   5.790
  441    HA   MET  50           HA       MET  50   0.613   6.940   8.277
  442   1HB   MET  50           HB1      MET  50   1.585   4.611   6.580
  443   2HB   MET  50           HB2      MET  50   0.687   4.383   8.099
  444   1HG   MET  50           HG2      MET  50  -1.055   6.010   7.113
  445   2HG   MET  50           HG1      MET  50  -0.238   5.773   5.565
  446   1HE   MET  50           HE1      MET  50   0.297   3.287   4.679
  447   2HE   MET  50           HE3      MET  50   0.558   2.498   6.251
  448   3HE   MET  50           HE2      MET  50  -0.654   1.850   5.122
  449    H    LYS  51           H        LYS  51   3.810   5.517   7.368
  450    HA   LYS  51           HA       LYS  51   4.491   5.047  10.177
  451   1HB   LYS  51           H        LYS  51   5.198   3.637   8.128
  452   2HB   LYS  51           H        LYS  51   6.362   4.939   7.782
  453   1HG   LYS  51           H        LYS  51   7.240   4.666  10.147
  454   2HG   LYS  51           H        LYS  51   6.174   3.252  10.319
  455   1HD   LYS  51           H        LYS  51   7.288   2.303   8.224
  456   2HD   LYS  51           H        LYS  51   8.478   3.617   8.356
  457   1HE   LYS  51           H        LYS  51   7.882   1.500  10.474
  458   2HE   LYS  51           H        LYS  51   9.321   1.564   9.436
  459   1HZ   LYS  51           H        LYS  51   9.859   3.673  10.448
  460   2HZ   LYS  51           H        LYS  51   8.551   3.560  11.447
  461   3HZ   LYS  51           H        LYS  51   9.780   2.467  11.570
  462    H    LYS  52           H        LYS  52   3.817   7.577  10.207
  463    HA   LYS  52           HA       LYS  52   6.234   9.019  10.847
  464   1HB   LYS  52           H        LYS  52   6.306   9.319   8.401
  465   2HB   LYS  52           H        LYS  52   4.618   9.865   8.398
  466   1HG   LYS  52           H        LYS  52   5.487  11.697  10.098
  467   2HG   LYS  52           H        LYS  52   7.085  11.274   9.450
  468   1HD   LYS  52           H        LYS  52   6.578  12.849   7.871
  469   2HD   LYS  52           H        LYS  52   5.655  11.526   7.122
  470   1HE   LYS  52           H        LYS  52   4.544  13.578   9.098
  471   2HE   LYS  52           H        LYS  52   4.302  13.614   7.340
  472   1HZ   LYS  52           H        LYS  52   3.472  11.376   9.040
  473   2HZ   LYS  52           H        LYS  52   2.474  12.626   8.646
  474   3HZ   LYS  52           H        LYS  52   3.072  11.638   7.463
  475    H    LEU  53           H        LEU  53   2.793   9.340   9.830
  476    HA   LEU  53           HA       LEU  53   0.969  10.120  10.975
  477   1HB   LEU  53           HB1      LEU  53   2.416   9.316  13.080
  478   2HB   LEU  53           HB2      LEU  53   2.575  11.065  13.345
  479    HG   LEU  53           HG       LEU  53   0.666  10.300  14.605
  480   1HD1  LEU  53           HD13     LEU  53   0.450  12.464  13.307
  481   2HD1  LEU  53           HD11     LEU  53  -0.456  11.559  12.069
  482   3HD1  LEU  53           HD12     LEU  53  -1.096  11.688  13.722
  483   1HD2  LEU  53           HD23     LEU  53   0.359   8.196  13.186
  484   2HD2  LEU  53           HD21     LEU  53  -1.135   8.998  13.720
  485   3HD2  LEU  53           HD22     LEU  53  -0.568   9.201  12.049
   
  No H/Q in entry =         485
  Start of MODEL    9
    1   1H    ARG   1           H2       ARG   1 -10.828   8.704   3.821
    2   2H    ARG   1           H1       ARG   1  -9.317   8.700   3.161
    3   3H    ARG   1           H3       ARG   1  -9.502   8.819   4.794
    4    HA   ARG   1           HA       ARG   1 -10.554  10.933   4.605
    5   1HB   ARG   1           H        ARG   1  -8.072  10.779   4.845
    6   2HB   ARG   1           H        ARG   1  -7.921  10.834   3.072
    7   1HG   ARG   1           H        ARG   1  -9.008  13.045   3.023
    8   2HG   ARG   1           H        ARG   1  -9.270  12.978   4.783
    9   1HD   ARG   1           H        ARG   1  -6.814  12.868   5.137
   10   2HD   ARG   1           H        ARG   1  -6.562  12.956   3.378
   11    HE   ARG   1           H        ARG   1  -8.168  15.165   4.155
   12   1HH1  ARG   1           H        ARG   1  -4.875  13.921   4.566
   13   2HH1  ARG   1           H        ARG   1  -4.155  15.504   4.748
   14   1HH2  ARG   1           H        ARG   1  -7.212  17.251   4.410
   15   2HH2  ARG   1           H        ARG   1  -5.488  17.402   4.659
   16    H    LYS   2           H        LYS   2  -9.156   9.964   1.396
   17    HA   LYS   2           HA       LYS   2 -10.618  11.965  -0.043
   18   1HB   LYS   2           H        LYS   2  -9.135   9.430  -0.818
   19   2HB   LYS   2           H        LYS   2  -9.984  10.418  -2.027
   20   1HG   LYS   2           H        LYS   2  -8.000  11.656  -0.087
   21   2HG   LYS   2           H        LYS   2  -7.460  10.911  -1.607
   22   1HD   LYS   2           H        LYS   2  -9.756  12.811  -1.863
   23   2HD   LYS   2           H        LYS   2  -8.213  13.540  -1.369
   24   1HE   LYS   2           H        LYS   2  -8.304  13.593  -3.782
   25   2HE   LYS   2           H        LYS   2  -7.109  12.366  -3.316
   26   1HZ   LYS   2           H        LYS   2  -9.897  11.822  -4.077
   27   2HZ   LYS   2           H        LYS   2  -8.583  11.615  -5.052
   28   3HZ   LYS   2           H        LYS   2  -8.757  10.693  -3.696
   29    H    ARG   3           H        ARG   3 -11.413   8.693   1.049
   30    HA   ARG   3           HA       ARG   3 -13.283   7.389   0.795
   31   1HB   ARG   3           H        ARG   3 -14.566  10.122   0.348
   32   2HB   ARG   3           H        ARG   3 -15.465   8.612   0.616
   33   1HG   ARG   3           H        ARG   3 -14.551   8.352   2.829
   34   2HG   ARG   3           H        ARG   3 -13.357   9.640   2.560
   35   1HD   ARG   3           H        ARG   3 -15.231  10.465   3.931
   36   2HD   ARG   3           H        ARG   3 -15.170  11.304   2.365
   37    HE   ARG   3           H        ARG   3 -16.896   9.031   2.164
   38   1HH1  ARG   3           H        ARG   3 -16.712  12.230   3.674
   39   2HH1  ARG   3           H        ARG   3 -18.440  12.487   3.660
   40   1HH2  ARG   3           H        ARG   3 -19.178   9.387   2.126
   41   2HH2  ARG   3           H        ARG   3 -19.848  10.861   2.785
   42    H    GLN   4           H        GLN   4 -11.593   7.553  -1.421
   43    HA   GLN   4           HA       GLN   4 -13.372   6.724  -3.554
   44   1HB   GLN   4           HB1      GLN   4 -13.491   9.165  -3.879
   45   2HB   GLN   4           HB2      GLN   4 -11.717   9.277  -3.855
   46   1HG   GLN   4           HG2      GLN   4 -11.625   7.807  -5.873
   47   2HG   GLN   4           HG1      GLN   4 -13.399   7.766  -5.904
   48   1HE2  GLN   4           HE22     GLN   4 -13.751  10.896  -7.483
   49   2HE2  GLN   4           HE21     GLN   4 -14.519   9.472  -6.820
   50    H    ALA   5           H        ALA   5 -10.072   8.158  -3.272
   51    HA   ALA   5           HA       ALA   5  -8.931   5.777  -4.582
   52   1HB   ALA   5           HB1      ALA   5  -8.223   8.042  -5.288
   53   2HB   ALA   5           HB2      ALA   5  -7.669   8.385  -3.632
   54   3HB   ALA   5           HB3      ALA   5  -6.863   7.127  -4.599
   55    H    TRP   6           H        TRP   6  -7.314   4.475  -3.603
   56    HA   TRP   6           HA       TRP   6  -6.455   3.216  -1.901
   57   1HB   TRP   6           HB2      TRP   6  -6.107   6.050  -0.997
   58   2HB   TRP   6           HB1      TRP   6  -5.842   4.773   0.195
   59    HD1  TRP   6           HD1      TRP   6  -4.255   6.427  -2.754
   60    HE1  TRP   6           HE1      TRP   6  -1.909   5.457  -3.201
   61    HE3  TRP   6           HE3      TRP   6  -4.441   2.411   0.404
   62    HZ2  TRP   6           HZ2      TRP   6  -0.348   3.232  -2.307
   63    HZ3  TRP   6           HZ3      TRP   6  -2.501   0.881   0.573
   64    HH2  TRP   6           HH2      TRP   6  -0.459   1.276  -0.783
   65    H    LEU   7           H        LEU   7  -8.562   2.174  -1.730
   66    HA   LEU   7           HA       LEU   7 -10.347   3.013   0.435
   67   1HB   LEU   7           HB1      LEU   7 -10.309   0.539  -1.355
   68   2HB   LEU   7           HB2      LEU   7 -11.613   0.977  -0.228
   69    HG   LEU   7           HG       LEU   7 -11.274   3.323  -1.696
   70   1HD1  LEU   7           HD12     LEU   7 -10.992   0.922  -3.563
   71   2HD1  LEU   7           HD13     LEU   7 -11.306   2.596  -4.076
   72   3HD1  LEU   7           HD11     LEU   7  -9.766   2.184  -3.291
   73   1HD2  LEU   7           HD23     LEU   7 -13.154   0.982  -2.242
   74   2HD2  LEU   7           HD22     LEU   7 -13.417   2.281  -1.053
   75   3HD2  LEU   7           HD21     LEU   7 -13.401   2.657  -2.792
   76    H    TRP   8           H        TRP   8 -11.021   1.206   2.049
   77    HA   TRP   8           HA       TRP   8  -8.841   0.607   3.722
   78   1HB   TRP   8           HB2      TRP   8 -10.386  -0.657   5.020
   79   2HB   TRP   8           HB1      TRP   8 -11.270   0.719   4.347
   80    HD1  TRP   8           HD1      TRP   8 -13.187   0.212   2.633
   81    HE1  TRP   8           HE1      TRP   8 -14.520  -1.897   1.990
   82    HE3  TRP   8           HE3      TRP   8 -10.131  -3.330   4.710
   83    HZ2  TRP   8           HZ2      TRP   8 -14.282  -4.722   2.335
   84    HZ3  TRP   8           HZ3      TRP   8 -10.724  -5.732   4.530
   85    HH2  TRP   8           HH2      TRP   8 -12.792  -6.434   3.345
   86    H    GLU   9           H        GLU   9 -10.278  -1.222   1.038
   87    HA   GLU   9           HA       GLU   9  -9.099  -3.747   1.586
   88   1HB   GLU   9           H        GLU   9  -9.943  -2.434  -1.030
   89   2HB   GLU   9           H        GLU   9  -9.502  -4.150  -0.856
   90   1HG   GLU   9           H        GLU   9 -11.287  -4.302   0.960
   91   2HG   GLU   9           H        GLU   9 -11.820  -2.682   0.459
   92    H    GLU  10           H        GLU  10  -7.802  -0.764   0.232
   93    HA   GLU  10           HA       GLU  10  -5.405  -2.129  -0.787
   94   1HB   GLU  10           H        GLU  10  -6.661  -0.084  -1.837
   95   2HB   GLU  10           H        GLU  10  -5.818   0.863  -0.591
   96   1HG   GLU  10           H        GLU  10  -4.307   0.957  -2.375
   97   2HG   GLU  10           H        GLU  10  -3.680  -0.418  -1.446
   98    H    ASP  11           H        ASP  11  -6.447   0.016   1.886
   99    HA   ASP  11           HA       ASP  11  -3.905   0.580   2.988
  100   1HB   ASP  11           H        ASP  11  -6.698   0.362   4.138
  101   2HB   ASP  11           H        ASP  11  -5.307   0.727   5.174
  102    H    LYS  12           H        LYS  12  -6.234  -2.075   3.864
  103    HA   LYS  12           HA       LYS  12  -4.418  -3.208   5.768
  104   1HB   LYS  12           H        LYS  12  -6.195  -4.436   6.354
  105   2HB   LYS  12           H        LYS  12  -7.110  -3.521   5.147
  106   1HG   LYS  12           H        LYS  12  -5.603  -6.054   4.376
  107   2HG   LYS  12           H        LYS  12  -7.223  -6.119   5.086
  108   1HD   LYS  12           H        LYS  12  -8.177  -4.834   3.306
  109   2HD   LYS  12           H        LYS  12  -6.578  -4.413   2.658
  110   1HE   LYS  12           H        LYS  12  -6.148  -6.764   2.090
  111   2HE   LYS  12           H        LYS  12  -7.689  -7.248   2.831
  112   1HZ   LYS  12           H        LYS  12  -7.423  -5.444   0.523
  113   2HZ   LYS  12           H        LYS  12  -7.813  -7.047   0.438
  114   3HZ   LYS  12           H        LYS  12  -8.835  -5.990   1.184
  115    H    ASN  13           H        ASN  13  -4.682  -3.479   2.284
  116    HA   ASN  13           HA       ASN  13  -3.230  -5.975   2.067
  117   1HB   ASN  13           HB2      ASN  13  -4.784  -5.089   0.331
  118   2HB   ASN  13           HB1      ASN  13  -3.667  -3.741   0.040
  119   1HD2  ASN  13           HD22     ASN  13  -2.708  -5.985  -2.620
  120   2HD2  ASN  13           HD21     ASN  13  -3.814  -4.691  -2.211
  121    H    LEU  14           H        LEU  14  -2.416  -2.483   1.824
  122    HA   LEU  14           HA       LEU  14   0.296  -2.750   1.108
  123   1HB   LEU  14           HB2      LEU  14  -0.852  -0.624   0.974
  124   2HB   LEU  14           HB1      LEU  14  -1.203  -0.640   2.714
  125    HG   LEU  14           HG       LEU  14   1.296  -0.584   3.148
  126   1HD1  LEU  14           HD11     LEU  14   1.369  -0.079   0.142
  127   2HD1  LEU  14           HD13     LEU  14   2.743   0.134   1.250
  128   3HD1  LEU  14           HD12     LEU  14   2.061  -1.484   0.983
  129   1HD2  LEU  14           HD23     LEU  14   0.035   1.662   1.528
  130   2HD2  LEU  14           HD21     LEU  14   0.008   1.468   3.295
  131   3HD2  LEU  14           HD22     LEU  14   1.537   1.825   2.461
  132    H    ARG  15           H        ARG  15  -1.083  -2.190   4.418
  133    HA   ARG  15           HA       ARG  15   1.400  -2.435   5.739
  134   1HB   ARG  15           H        ARG  15   0.124  -2.586   7.777
  135   2HB   ARG  15           H        ARG  15  -0.706  -1.454   6.688
  136   1HG   ARG  15           H        ARG  15  -2.181  -3.396   5.964
  137   2HG   ARG  15           H        ARG  15  -1.451  -4.350   7.276
  138   1HD   ARG  15           H        ARG  15  -2.132  -2.495   8.871
  139   2HD   ARG  15           H        ARG  15  -3.046  -1.768   7.529
  140    HE   ARG  15           H        ARG  15  -3.767  -4.532   7.852
  141   1HH1  ARG  15           H        ARG  15  -4.152  -1.342   9.336
  142   2HH1  ARG  15           H        ARG  15  -5.704  -1.707  10.050
  143   1HH2  ARG  15           H        ARG  15  -5.812  -5.022   8.823
  144   2HH2  ARG  15           H        ARG  15  -6.649  -3.808   9.761
  145    H    SER  16           H        SER  16  -0.965  -4.948   4.758
  146    HA   SER  16           HA       SER  16   0.204  -7.082   6.256
  147   1HB   SER  16           HB2      SER  16  -2.034  -7.228   5.262
  148   2HB   SER  16           HB1      SER  16  -1.343  -7.102   3.628
  149    HG   SER  16           HG       SER  16  -1.723  -9.269   4.219
  150    H    GLY  17           H        GLY  17   0.657  -6.029   2.830
  151   1HA   GLY  17           HA1      GLY  17   2.591  -7.962   2.126
  152   2HA   GLY  17           HA2      GLY  17   2.381  -6.374   1.360
  153    H    VAL  18           H        VAL  18   3.067  -4.561   3.267
  154    HA   VAL  18           HA       VAL  18   5.909  -4.690   3.215
  155    HB   VAL  18           HB       VAL  18   3.991  -2.936   4.808
  156   1HG1  VAL  18           HG13     VAL  18   7.008  -2.883   4.433
  157   2HG1  VAL  18           HG12     VAL  18   6.088  -1.412   4.806
  158   3HG1  VAL  18           HG11     VAL  18   6.081  -2.774   5.947
  159   1HG2  VAL  18           HG21     VAL  18   3.837  -2.784   2.315
  160   2HG2  VAL  18           HG23     VAL  18   4.492  -1.295   3.032
  161   3HG2  VAL  18           HG22     VAL  18   5.584  -2.458   2.245
  162    H    ARG  19           H        ARG  19   3.543  -5.342   5.868
  163    HA   ARG  19           HA       ARG  19   5.491  -5.706   7.913
  164   1HB   ARG  19           H        ARG  19   3.092  -5.384   8.362
  165   2HB   ARG  19           H        ARG  19   2.723  -6.942   7.585
  166   1HG   ARG  19           H        ARG  19   3.995  -8.149   9.284
  167   2HG   ARG  19           H        ARG  19   4.563  -6.621   9.998
  168   1HD   ARG  19           H        ARG  19   2.238  -6.017  10.580
  169   2HD   ARG  19           H        ARG  19   1.649  -7.505   9.814
  170    HE   ARG  19           H        ARG  19   2.287  -8.719  11.678
  171   1HH1  ARG  19           H        ARG  19   3.850  -5.535  11.749
  172   2HH1  ARG  19           H        ARG  19   4.421  -5.706  13.393
  173   1HH2  ARG  19           H        ARG  19   3.061  -8.941  13.832
  174   2HH2  ARG  19           H        ARG  19   3.989  -7.658  14.572
  175    H    LYS  20           H        LYS  20   4.039  -7.971   5.532
  176    HA   LYS  20           HA       LYS  20   5.291 -10.311   6.645
  177   1HB   LYS  20           H        LYS  20   3.243 -10.323   5.220
  178   2HB   LYS  20           H        LYS  20   4.231  -9.810   3.831
  179   1HG   LYS  20           H        LYS  20   5.557 -11.852   3.947
  180   2HG   LYS  20           H        LYS  20   4.762 -12.331   5.466
  181   1HD   LYS  20           H        LYS  20   2.601 -12.529   4.305
  182   2HD   LYS  20           H        LYS  20   3.338 -11.952   2.793
  183   1HE   LYS  20           H        LYS  20   3.193 -14.372   2.686
  184   2HE   LYS  20           H        LYS  20   4.903 -13.925   2.866
  185   1HZ   LYS  20           H        LYS  20   3.133 -14.790   5.046
  186   2HZ   LYS  20           H        LYS  20   4.270 -15.728   4.304
  187   3HZ   LYS  20           H        LYS  20   4.733 -14.414   5.187
  188    H    TYR  21           H        TYR  21   6.191  -7.978   4.058
  189    HA   TYR  21           HA       TYR  21   8.778  -9.449   3.761
  190   1HB   TYR  21           HB2      TYR  21   7.374  -7.621   1.777
  191   2HB   TYR  21           HB1      TYR  21   8.860  -8.545   1.498
  192    HD1  TYR  21           HD1      TYR  21   8.602 -11.179   2.016
  193    HD2  TYR  21           HD2      TYR  21   5.371  -8.520   0.998
  194    HE1  TYR  21           HE1      TYR  21   7.234 -13.117   1.279
  195    HE2  TYR  21           HE2      TYR  21   4.004 -10.457   0.269
  196    HH   TYR  21           HH       TYR  21   3.943 -12.724  -0.068
  197    H    GLY  22           H        GLY  22   7.883  -6.107   2.771
  198   1HA   GLY  22           HA2      GLY  22   8.935  -4.569   4.780
  199   2HA   GLY  22           HA1      GLY  22  10.372  -5.095   3.870
  200    H    GLU  23           H        GLU  23  10.108  -2.475   3.772
  201    HA   GLU  23           HA       GLU  23   8.469  -1.752   1.418
  202   1HB   GLU  23           H        GLU  23   9.015   0.566   2.012
  203   2HB   GLU  23           H        GLU  23   8.340  -0.301   3.408
  204   1HG   GLU  23           H        GLU  23  10.653  -0.671   4.269
  205   2HG   GLU  23           H        GLU  23  11.298   0.241   2.887
  206    H    GLY  24           H        GLY  24   9.396  -0.731  -0.427
  207   1HA   GLY  24           HA2      GLY  24  11.302  -0.016  -1.718
  208   2HA   GLY  24           HA1      GLY  24  12.333  -1.118  -0.775
  209    H    ASN  25           H        ASN  25  10.756  -3.423  -0.750
  210    HA   ASN  25           HA       ASN  25  11.197  -4.424  -3.466
  211   1HB   ASN  25           HB1      ASN  25  10.418  -6.595  -2.351
  212   2HB   ASN  25           HB2      ASN  25  11.890  -5.859  -1.697
  213   1HD2  ASN  25           HD21     ASN  25   8.394  -5.819   0.550
  214   2HD2  ASN  25           HD22     ASN  25   8.334  -6.075  -1.184
  215    H    TRP  26           H        TRP  26   9.354  -2.512  -3.795
  216    HA   TRP  26           HA       TRP  26   6.640  -3.227  -3.359
  217   1HB   TRP  26           HB2      TRP  26   7.788  -1.505  -5.577
  218   2HB   TRP  26           HB1      TRP  26   6.147  -1.441  -4.911
  219    HD1  TRP  26           HD1      TRP  26   9.199   0.400  -4.739
  220    HE1  TRP  26           HE1      TRP  26   9.483   1.772  -2.581
  221    HE3  TRP  26           HE3      TRP  26   5.552  -1.803  -1.903
  222    HZ2  TRP  26           HZ2      TRP  26   8.317   1.861   0.018
  223    HZ3  TRP  26           HZ3      TRP  26   5.167  -1.036   0.420
  224    HH2  TRP  26           HH2      TRP  26   6.542   0.788   1.390
  225    H    SER  27           H        SER  27   8.899  -3.907  -6.050
  226    HA   SER  27           HA       SER  27   7.055  -4.929  -7.910
  227   1HB   SER  27           HB2      SER  27   9.492  -4.486  -8.305
  228   2HB   SER  27           HB1      SER  27   9.878  -5.937  -7.350
  229    HG   SER  27           HG       SER  27   8.503  -7.090  -8.866
  230    H    LYS  28           H        LYS  28   8.749  -6.575  -5.182
  231    HA   LYS  28           HA       LYS  28   7.660  -9.165  -5.717
  232   1HB   LYS  28           H        LYS  28   8.697  -7.925  -3.133
  233   2HB   LYS  28           H        LYS  28   8.363  -9.653  -3.379
  234   1HG   LYS  28           H        LYS  28   9.983  -9.591  -5.337
  235   2HG   LYS  28           H        LYS  28  10.430  -7.945  -4.827
  236   1HD   LYS  28           H        LYS  28  10.990  -8.867  -2.548
  237   2HD   LYS  28           H        LYS  28  10.684 -10.503  -3.176
  238   1HE   LYS  28           H        LYS  28  12.713  -8.550  -4.352
  239   2HE   LYS  28           H        LYS  28  13.117  -9.837  -3.197
  240   1HZ   LYS  28           H        LYS  28  12.270 -11.423  -4.787
  241   2HZ   LYS  28           H        LYS  28  11.950 -10.218  -5.867
  242   3HZ   LYS  28           H        LYS  28  13.505 -10.538  -5.427
  243    H    ILE  29           H        ILE  29   6.681  -6.521  -3.459
  244    HA   ILE  29           HA       ILE  29   4.505  -7.826  -2.255
  245    HB   ILE  29           HB       ILE  29   5.177  -4.934  -2.837
  246   1HG1  ILE  29           HG11     ILE  29   4.663  -6.298  -0.174
  247   2HG1  ILE  29           HG12     ILE  29   6.223  -6.484  -1.004
  248   1HG2  ILE  29           HG23     ILE  29   2.622  -6.032  -1.588
  249   2HG2  ILE  29           HG22     ILE  29   3.190  -4.366  -1.338
  250   3HG2  ILE  29           HG21     ILE  29   2.765  -4.918  -2.969
  251   1HD1  ILE  29           HD11     ILE  29   4.951  -3.798  -0.315
  252   2HD1  ILE  29           HD13     ILE  29   6.209  -4.599   0.646
  253   3HD1  ILE  29           HD12     ILE  29   6.566  -4.064  -1.011
  254    H    LEU  30           H        LEU  30   4.594  -5.906  -5.315
  255    HA   LEU  30           HA       LEU  30   1.811  -6.046  -5.865
  256   1HB   LEU  30           HB2      LEU  30   4.314  -5.378  -7.314
  257   2HB   LEU  30           HB1      LEU  30   3.020  -5.999  -8.355
  258    HG   LEU  30           HG       LEU  30   3.041  -3.483  -8.080
  259   1HD1  LEU  30           HD12     LEU  30   1.006  -4.755  -8.753
  260   2HD1  LEU  30           HD13     LEU  30   0.535  -4.876  -7.044
  261   3HD1  LEU  30           HD11     LEU  30   0.616  -3.285  -7.831
  262   1HD2  LEU  30           HD21     LEU  30   3.676  -3.527  -5.635
  263   2HD2  LEU  30           HD23     LEU  30   2.295  -2.477  -6.017
  264   3HD2  LEU  30           HD22     LEU  30   2.021  -4.063  -5.268
  265    H    LEU  31           H        LEU  31   4.455  -8.368  -6.442
  266    HA   LEU  31           HA       LEU  31   2.869 -10.076  -8.170
  267   1HB   LEU  31           HB2      LEU  31   5.591 -10.007  -7.041
  268   2HB   LEU  31           HB1      LEU  31   4.899 -11.644  -7.054
  269    HG   LEU  31           HG       LEU  31   4.267 -11.271  -9.484
  270   1HD1  LEU  31           HD13     LEU  31   4.336  -8.776  -9.420
  271   2HD1  LEU  31           HD12     LEU  31   6.094  -8.845  -9.157
  272   3HD1  LEU  31           HD11     LEU  31   5.398  -9.434 -10.684
  273   1HD2  LEU  31           HD21     LEU  31   7.221 -11.036  -8.752
  274   2HD2  LEU  31           HD22     LEU  31   6.281 -12.545  -8.835
  275   3HD2  LEU  31           HD23     LEU  31   6.583 -11.604 -10.315
  276    H    HIS  32           H        HIS  32   3.829 -10.140  -4.694
  277    HA   HIS  32           HA       HIS  32   2.526 -12.597  -4.073
  278   1HB   HIS  32           HB2      HIS  32   3.191 -10.189  -2.332
  279   2HB   HIS  32           HB1      HIS  32   2.719 -11.787  -1.726
  280    HD1  HIS  32           HD1      HIS  32   4.404 -13.760  -3.195
  281    HD2  HIS  32           HD2      HIS  32   5.912 -10.021  -2.065
  282    HE1  HIS  32           HE1      HIS  32   6.942 -13.936  -3.128
  283    H    TYR  33           H        TYR  33   1.483  -9.211  -3.336
  284    HA   TYR  33           HA       TYR  33  -1.343 -10.189  -3.330
  285   1HB   TYR  33           HB2      TYR  33  -0.092  -7.803  -1.925
  286   2HB   TYR  33           HB1      TYR  33  -1.797  -8.272  -1.864
  287    HD1  TYR  33           HD1      TYR  33  -2.376 -10.590  -0.886
  288    HD2  TYR  33           HD2      TYR  33   1.448  -8.674  -0.365
  289    HE1  TYR  33           HE1      TYR  33  -1.918 -12.035   1.083
  290    HE2  TYR  33           HE2      TYR  33   1.900 -10.120   1.603
  291    HH   TYR  33           HH       TYR  33   0.999 -11.640   3.090
  292    H    LYS  34           H        LYS  34  -2.821  -9.141  -4.623
  293    HA   LYS  34           HA       LYS  34  -1.681  -7.363  -6.682
  294   1HB   LYS  34           H        LYS  34  -4.184  -9.016  -6.347
  295   2HB   LYS  34           H        LYS  34  -4.193  -7.654  -7.491
  296   1HG   LYS  34           H        LYS  34  -3.545  -9.793  -8.593
  297   2HG   LYS  34           H        LYS  34  -2.249  -8.580  -8.675
  298   1HD   LYS  34           H        LYS  34  -0.994  -9.656  -6.932
  299   2HD   LYS  34           H        LYS  34  -2.368 -10.694  -6.480
  300   1HE   LYS  34           H        LYS  34  -1.093 -10.785  -9.240
  301   2HE   LYS  34           H        LYS  34  -0.495 -11.768  -7.888
  302   1HZ   LYS  34           H        LYS  34  -2.671 -12.730  -7.701
  303   2HZ   LYS  34           H        LYS  34  -3.228 -11.823  -8.961
  304   3HZ   LYS  34           H        LYS  34  -2.063 -12.964  -9.217
  305    H    PHE  35           H        PHE  35  -2.175  -5.236  -6.926
  306    HA   PHE  35           HA       PHE  35  -3.983  -3.997  -4.889
  307   1HB   PHE  35           HB2      PHE  35  -1.416  -2.991  -6.176
  308   2HB   PHE  35           HB1      PHE  35  -2.509  -1.975  -5.231
  309    HD1  PHE  35           HD2      PHE  35  -0.524  -5.156  -4.966
  310    HD2  PHE  35           HD1      PHE  35  -2.179  -1.753  -2.918
  311    HE1  PHE  35           HE2      PHE  35   0.618  -5.853  -2.881
  312    HE2  PHE  35           HE1      PHE  35  -1.032  -2.448  -0.834
  313    HZ   PHE  35           HZ       PHE  35   0.369  -4.502  -0.810
  314    H    ASN  36           H        ASN  36  -4.660  -1.669  -5.765
  315    HA   ASN  36           HA       ASN  36  -5.942  -2.180  -8.372
  316   1HB   ASN  36           HB1      ASN  36  -6.198   0.133  -6.403
  317   2HB   ASN  36           HB2      ASN  36  -7.182  -0.094  -7.864
  318   1HD2  ASN  36           HD22     ASN  36  -7.892  -2.324  -4.465
  319   2HD2  ASN  36           HD21     ASN  36  -6.440  -1.356  -4.625
  320    H    ASN  37           H        ASN  37  -5.654   1.125  -8.162
  321    HA   ASN  37           HA       ASN  37  -3.698   1.183 -10.332
  322   1HB   ASN  37           HB1      ASN  37  -5.248   3.388  -8.913
  323   2HB   ASN  37           HB2      ASN  37  -4.264   3.602 -10.376
  324   1HD2  ASN  37           HD21     ASN  37  -8.090   2.275 -10.649
  325   2HD2  ASN  37           HD22     ASN  37  -7.373   2.871  -9.170
  326    H    ARG  38           H        ARG  38  -2.243   0.173  -8.380
  327    HA   ARG  38           HA       ARG  38  -0.746   2.445  -7.136
  328   1HB   ARG  38           H        ARG  38  -0.681  -0.513  -6.403
  329   2HB   ARG  38           H        ARG  38   0.053   0.831  -5.506
  330   1HG   ARG  38           H        ARG  38  -2.949   0.508  -5.973
  331   2HG   ARG  38           H        ARG  38  -2.093   0.017  -4.499
  332   1HD   ARG  38           H        ARG  38  -2.696   2.105  -3.809
  333   2HD   ARG  38           H        ARG  38  -1.196   2.547  -4.644
  334    HE   ARG  38           H        ARG  38  -2.433   3.557  -6.351
  335   1HH1  ARG  38           H        ARG  38  -4.610   1.403  -4.573
  336   2HH1  ARG  38           H        ARG  38  -6.026   2.402  -4.835
  337   1HH2  ARG  38           H        ARG  38  -4.336   4.770  -6.849
  338   2HH2  ARG  38           H        ARG  38  -5.893   4.228  -6.270
  339    H    THR  39           H        THR  39   1.707   1.839  -6.908
  340    HA   THR  39           HA       THR  39   2.703   0.155  -9.102
  341    HB   THR  39           HB       THR  39   3.400   3.124  -9.013
  342    HG1  THR  39           HG1      THR  39   1.506   1.635 -10.451
  343   1HG2  THR  39           HG23     THR  39   4.034   0.885 -10.984
  344   2HG2  THR  39           HG22     THR  39   4.458   2.599 -11.204
  345   3HG2  THR  39           HG21     THR  39   5.190   1.666  -9.878
  346    H    SER  40           H        SER  40   4.137   2.896  -7.231
  347    HA   SER  40           HA       SER  40   5.560   1.035  -5.471
  348   1HB   SER  40           HB1      SER  40   7.038   2.736  -7.529
  349   2HB   SER  40           HB2      SER  40   7.803   1.883  -6.168
  350    HG   SER  40           HG       SER  40   6.339   0.083  -7.314
  351    H    VAL  41           H        VAL  41   5.700   4.412  -6.771
  352    HA   VAL  41           HA       VAL  41   6.559   5.609  -4.362
  353    HB   VAL  41           HB       VAL  41   5.752   7.724  -5.379
  354   1HG1  VAL  41           HG13     VAL  41   7.911   6.659  -6.078
  355   2HG1  VAL  41           HG11     VAL  41   7.053   5.861  -7.416
  356   3HG1  VAL  41           HG12     VAL  41   7.172   7.634  -7.367
  357   1HG2  VAL  41           HG23     VAL  41   4.505   5.854  -7.448
  358   2HG2  VAL  41           HG22     VAL  41   3.649   6.987  -6.378
  359   3HG2  VAL  41           HG21     VAL  41   4.705   7.606  -7.665
  360    H    MET  42           H        MET  42   3.291   4.755  -5.516
  361    HA   MET  42           HA       MET  42   1.822   6.217  -3.567
  362   1HB   MET  42           HB2      MET  42   1.121   3.593  -4.959
  363   2HB   MET  42           HB1      MET  42  -0.018   4.674  -4.126
  364   1HG   MET  42           HG1      MET  42  -0.319   5.568  -6.184
  365   2HG   MET  42           HG2      MET  42   1.176   6.444  -5.820
  366   1HE   MET  42           HE1      MET  42   0.020   6.055  -8.737
  367   2HE   MET  42           HE2      MET  42   1.531   6.923  -8.375
  368   3HE   MET  42           HE3      MET  42   1.505   5.669  -9.637
  369    H    LEU  43           H        LEU  43   2.739   2.728  -3.662
  370    HA   LEU  43           HA       LEU  43   1.852   2.063  -1.073
  371   1HB   LEU  43           HB2      LEU  43   4.210   0.913  -2.636
  372   2HB   LEU  43           HB1      LEU  43   3.369   0.128  -1.283
  373    HG   LEU  43           HG       LEU  43   1.294   0.805  -3.060
  374   1HD1  LEU  43           HD12     LEU  43   3.712  -0.293  -4.570
  375   2HD1  LEU  43           HD11     LEU  43   2.059  -0.197  -5.215
  376   3HD1  LEU  43           HD13     LEU  43   2.948   1.291  -4.831
  377   1HD2  LEU  43           HD21     LEU  43   2.838  -1.808  -2.728
  378   2HD2  LEU  43           HD23     LEU  43   1.461  -1.267  -1.741
  379   3HD2  LEU  43           HD22     LEU  43   1.223  -1.659  -3.459
  380    H    LYS  44           H        LYS  44   4.945   3.437  -2.223
  381    HA   LYS  44           HA       LYS  44   6.422   3.133   0.160
  382   1HB   LYS  44           H        LYS  44   7.380   3.693  -2.057
  383   2HB   LYS  44           H        LYS  44   6.613   5.293  -1.976
  384   1HG   LYS  44           H        LYS  44   7.906   5.789   0.097
  385   2HG   LYS  44           H        LYS  44   8.701   4.203  -0.038
  386   1HD   LYS  44           H        LYS  44   9.698   4.813  -2.169
  387   2HD   LYS  44           H        LYS  44   8.774   6.333  -2.222
  388   1HE   LYS  44           H        LYS  44  10.724   5.667   0.021
  389   2HE   LYS  44           H        LYS  44  11.219   6.514  -1.460
  390   1HZ   LYS  44           H        LYS  44   9.590   8.197  -0.958
  391   2HZ   LYS  44           H        LYS  44   9.162   7.422   0.433
  392   3HZ   LYS  44           H        LYS  44  10.679   8.046   0.271
  393    H    ASP  45           H        ASP  45   4.966   6.215  -1.040
  394    HA   ASP  45           HA       ASP  45   5.371   7.597   1.392
  395   1HB   ASP  45           H        ASP  45   4.924   8.660  -0.791
  396   2HB   ASP  45           H        ASP  45   3.263   8.026  -0.764
  397    H    ARG  46           H        ARG  46   2.560   5.701   0.230
  398    HA   ARG  46           HA       ARG  46   0.804   6.487   2.328
  399   1HB   ARG  46           H        ARG  46   0.209   5.472   0.085
  400   2HB   ARG  46           H        ARG  46   0.754   3.904   0.721
  401   1HG   ARG  46           H        ARG  46  -1.687   4.154   0.952
  402   2HG   ARG  46           H        ARG  46  -0.921   4.069   2.547
  403   1HD   ARG  46           H        ARG  46  -1.352   6.311   3.018
  404   2HD   ARG  46           H        ARG  46  -1.307   6.784   1.305
  405    HE   ARG  46           H        ARG  46  -3.586   6.526   1.240
  406   1HH1  ARG  46           H        ARG  46  -2.291   4.547   3.874
  407   2HH1  ARG  46           H        ARG  46  -3.856   3.910   4.344
  408   1HH2  ARG  46           H        ARG  46  -5.658   5.794   1.984
  409   2HH2  ARG  46           H        ARG  46  -5.744   4.522   3.188
  410    H    TRP  47           H        TRP  47   3.509   4.229   2.323
  411    HA   TRP  47           HA       TRP  47   2.444   2.573   4.458
  412   1HB   TRP  47           HB1      TRP  47   4.039   1.556   3.026
  413   2HB   TRP  47           HB2      TRP  47   5.182   2.893   3.217
  414    HD1  TRP  47           HD1      TRP  47   7.155   2.131   4.571
  415    HE1  TRP  47           HE1      TRP  47   7.625   0.691   6.645
  416    HE3  TRP  47           HE3      TRP  47   2.374   0.588   5.567
  417    HZ2  TRP  47           HZ2      TRP  47   6.126  -0.900   8.484
  418    HZ3  TRP  47           HZ3      TRP  47   1.939  -0.885   7.513
  419    HH2  TRP  47           HH2      TRP  47   3.804  -1.637   8.968
  420    H    ARG  48           H        ARG  48   5.231   4.909   4.395
  421    HA   ARG  48           HA       ARG  48   5.639   4.769   7.179
  422   1HB   ARG  48           H        ARG  48   6.965   6.842   6.909
  423   2HB   ARG  48           H        ARG  48   7.347   5.599   5.708
  424   1HG   ARG  48           H        ARG  48   5.368   7.027   4.407
  425   2HG   ARG  48           H        ARG  48   6.184   8.302   5.338
  426   1HD   ARG  48           H        ARG  48   7.330   8.137   3.233
  427   2HD   ARG  48           H        ARG  48   8.387   7.388   4.443
  428    HE   ARG  48           H        ARG  48   6.700   5.961   2.426
  429   1HH1  ARG  48           H        ARG  48   9.601   5.996   4.508
  430   2HH1  ARG  48           H        ARG  48   9.991   4.319   4.173
  431   1HH2  ARG  48           H        ARG  48   7.187   3.752   2.128
  432   2HH2  ARG  48           H        ARG  48   8.681   3.083   2.771
  433    H    THR  49           H        THR  49   3.532   7.042   5.315
  434    HA   THR  49           HA       THR  49   2.914   8.717   7.516
  435    HB   THR  49           HB       THR  49   2.401   9.203   5.112
  436    HG1  THR  49           HG1      THR  49   1.365  10.276   6.883
  437   1HG2  THR  49           HG21     THR  49   1.436   6.888   4.660
  438   2HG2  THR  49           HG23     THR  49  -0.023   7.413   5.528
  439   3HG2  THR  49           HG22     THR  49   0.478   8.249   4.041
  440    H    MET  50           H        MET  50   1.547   5.563   6.479
  441    HA   MET  50           HA       MET  50  -0.527   5.576   8.520
  442   1HB   MET  50           HB1      MET  50   0.653   3.447   6.694
  443   2HB   MET  50           HB2      MET  50  -0.615   3.090   7.884
  444   1HG   MET  50           HG2      MET  50  -0.860   5.280   5.798
  445   2HG   MET  50           HG1      MET  50  -1.400   3.622   5.513
  446   1HE   MET  50           HE3      MET  50  -3.426   2.517   6.449
  447   2HE   MET  50           HE2      MET  50  -2.784   2.614   8.105
  448   3HE   MET  50           HE1      MET  50  -4.447   3.139   7.764
  449    H    LYS  51           H        LYS  51   2.849   4.587   8.247
  450    HA   LYS  51           HA       LYS  51   2.851   3.006  10.693
  451   1HB   LYS  51           H        LYS  51   4.392   2.918   8.533
  452   2HB   LYS  51           H        LYS  51   5.312   4.177   9.386
  453   1HG   LYS  51           H        LYS  51   5.198   2.525  11.425
  454   2HG   LYS  51           H        LYS  51   4.802   1.304  10.191
  455   1HD   LYS  51           H        LYS  51   6.864   1.898   8.946
  456   2HD   LYS  51           H        LYS  51   7.259   3.116  10.182
  457   1HE   LYS  51           H        LYS  51   7.326   1.327  11.909
  458   2HE   LYS  51           H        LYS  51   6.964   0.115  10.659
  459   1HZ   LYS  51           H        LYS  51   8.997   0.740   9.563
  460   2HZ   LYS  51           H        LYS  51   9.333   1.854  10.732
  461   3HZ   LYS  51           H        LYS  51   9.299   0.248  11.108
  462    H    LYS  52           H        LYS  52   1.841   5.854  10.833
  463    HA   LYS  52           HA       LYS  52   2.030   7.720  12.128
  464   1HB   LYS  52           H        LYS  52   3.655   5.848  13.908
  465   2HB   LYS  52           H        LYS  52   2.889   7.373  14.408
  466   1HG   LYS  52           H        LYS  52   0.664   6.422  13.708
  467   2HG   LYS  52           H        LYS  52   1.475   4.870  13.384
  468   1HD   LYS  52           H        LYS  52   2.247   4.792  15.747
  469   2HD   LYS  52           H        LYS  52   1.404   6.329  16.065
  470   1HE   LYS  52           H        LYS  52  -0.749   5.271  15.412
  471   2HE   LYS  52           H        LYS  52   0.097   3.735  15.121
  472   1HZ   LYS  52           H        LYS  52   0.728   3.723  17.427
  473   2HZ   LYS  52           H        LYS  52  -0.063   5.146  17.695
  474   3HZ   LYS  52           H        LYS  52  -0.914   3.796  17.276
  475    H    LEU  53           H        LEU  53   3.764   7.756   9.984
  476    HA   LEU  53           HA       LEU  53   5.868   9.498  11.034
  477   1HB   LEU  53           HB2      LEU  53   6.662   6.979  10.987
  478   2HB   LEU  53           HB1      LEU  53   6.788   7.236   9.239
  479    HG   LEU  53           HG       LEU  53   8.062   9.118  11.272
  480   1HD1  LEU  53           HD11     LEU  53   9.286   6.695   9.879
  481   2HD1  LEU  53           HD13     LEU  53  10.172   7.879  10.869
  482   3HD1  LEU  53           HD12     LEU  53   8.943   6.837  11.621
  483   1HD2  LEU  53           HD22     LEU  53   8.462   8.586   8.293
  484   2HD2  LEU  53           HD23     LEU  53   7.878  10.086   9.053
  485   3HD2  LEU  53           HD21     LEU  53   9.566   9.577   9.275
   
  No H/Q in entry =         485
  Start of MODEL   10
    1   1H    ARG   1           H3       ARG   1 -14.852  10.591  -4.101
    2   2H    ARG   1           H2       ARG   1 -14.003   9.978  -5.378
    3   3H    ARG   1           H1       ARG   1 -14.891  11.353  -5.566
    4    HA   ARG   1           HA       ARG   1 -16.921  10.225  -5.301
    5   1HB   ARG   1           H        ARG   1 -14.963   8.976  -7.257
    6   2HB   ARG   1           H        ARG   1 -16.675   8.502  -7.210
    7   1HG   ARG   1           H        ARG   1 -15.867  11.425  -7.415
    8   2HG   ARG   1           H        ARG   1 -15.963  10.393  -8.859
    9   1HD   ARG   1           H        ARG   1 -18.323   9.766  -8.124
   10   2HD   ARG   1           H        ARG   1 -18.209  11.051  -6.906
   11    HE   ARG   1           H        ARG   1 -18.545  11.354  -9.799
   12   1HH1  ARG   1           H        ARG   1 -17.516  12.924  -6.786
   13   2HH1  ARG   1           H        ARG   1 -17.784  14.542  -7.383
   14   1HH2  ARG   1           H        ARG   1 -18.895  13.497 -10.571
   15   2HH2  ARG   1           H        ARG   1 -18.568  14.869  -9.539
   16    H    LYS   2           H        LYS   2 -14.417   7.628  -5.589
   17    HA   LYS   2           HA       LYS   2 -15.590   6.311  -3.206
   18   1HB   LYS   2           H        LYS   2 -16.768   5.397  -5.197
   19   2HB   LYS   2           H        LYS   2 -15.204   4.937  -5.904
   20   1HG   LYS   2           H        LYS   2 -14.747   3.431  -4.027
   21   2HG   LYS   2           H        LYS   2 -16.223   3.964  -3.193
   22   1HD   LYS   2           H        LYS   2 -16.373   2.808  -5.994
   23   2HD   LYS   2           H        LYS   2 -16.261   1.726  -4.587
   24   1HE   LYS   2           H        LYS   2 -18.348   3.937  -4.812
   25   2HE   LYS   2           H        LYS   2 -18.629   2.282  -5.388
   26   1HZ   LYS   2           H        LYS   2 -18.174   1.511  -3.162
   27   2HZ   LYS   2           H        LYS   2 -17.968   3.058  -2.633
   28   3HZ   LYS   2           H        LYS   2 -19.442   2.566  -3.182
   29    H    ARG   3           H        ARG   3 -13.233   5.451  -5.824
   30    HA   ARG   3           HA       ARG   3 -11.289   4.644  -3.786
   31   1HB   ARG   3           H        ARG   3 -11.724   3.440  -6.002
   32   2HB   ARG   3           H        ARG   3 -10.904   4.801  -6.802
   33   1HG   ARG   3           H        ARG   3  -8.922   4.385  -5.246
   34   2HG   ARG   3           H        ARG   3  -9.742   2.901  -4.711
   35   1HD   ARG   3           H        ARG   3  -9.059   3.543  -7.612
   36   2HD   ARG   3           H        ARG   3  -8.053   2.536  -6.548
   37    HE   ARG   3           H        ARG   3 -10.592   1.408  -6.409
   38   1HH1  ARG   3           H        ARG   3  -8.186   2.092  -8.920
   39   2HH1  ARG   3           H        ARG   3  -8.761   0.843 -10.000
   40   1HH2  ARG   3           H        ARG   3 -11.256  -0.326  -7.781
   41   2HH2  ARG   3           H        ARG   3 -10.463  -0.583  -9.318
   42    H    GLN   4           H        GLN   4 -11.537   7.054  -3.014
   43    HA   GLN   4           HA       GLN   4  -9.720   8.852  -4.526
   44   1HB   GLN   4           HB2      GLN   4 -10.556  10.335  -2.389
   45   2HB   GLN   4           HB1      GLN   4 -11.411  10.257  -3.942
   46   1HG   GLN   4           HG1      GLN   4 -12.907   8.520  -3.097
   47   2HG   GLN   4           HG2      GLN   4 -12.008   8.436  -1.566
   48   1HE2  GLN   4           HE22     GLN   4 -13.403  11.433  -0.205
   49   2HE2  GLN   4           HE21     GLN   4 -12.043  10.335  -0.142
   50    H    ALA   5           H        ALA   5 -10.193   8.554  -0.979
   51    HA   ALA   5           HA       ALA   5  -7.274   8.547  -0.627
   52   1HB   ALA   5           HB1      ALA   5  -8.725   9.983   0.780
   53   2HB   ALA   5           HB3      ALA   5  -9.569   8.536   1.384
   54   3HB   ALA   5           HB2      ALA   5  -7.845   8.786   1.762
   55    H    TRP   6           H        TRP   6  -7.977   6.289  -2.000
   56    HA   TRP   6           HA       TRP   6  -7.880   4.007  -2.002
   57   1HB   TRP   6           HB2      TRP   6  -6.403   4.664   0.563
   58   2HB   TRP   6           HB1      TRP   6  -6.597   3.003   0.010
   59    HD1  TRP   6           HD1      TRP   6  -5.756   6.007  -2.240
   60    HE1  TRP   6           HE1      TRP   6  -3.496   5.603  -3.398
   61    HE3  TRP   6           HE3      TRP   6  -4.450   1.627   0.062
   62    HZ2  TRP   6           HZ2      TRP   6  -1.407   3.664  -3.314
   63    HZ3  TRP   6           HZ3      TRP   6  -2.308   0.524  -0.519
   64    HH2  TRP   6           HH2      TRP   6  -0.782   1.537  -2.195
   65    H    LEU   7           H        LEU   7  -8.172   2.056   0.054
   66    HA   LEU   7           HA       LEU   7 -10.629   2.732   1.494
   67   1HB   LEU   7           HB1      LEU   7 -11.840   0.760   0.522
   68   2HB   LEU   7           HB2      LEU   7 -11.595   2.098  -0.616
   69    HG   LEU   7           HG       LEU   7  -9.690  -0.277  -0.487
   70   1HD1  LEU   7           HD11     LEU   7 -12.079  -0.995  -0.920
   71   2HD1  LEU   7           HD12     LEU   7 -12.083   0.072  -2.341
   72   3HD1  LEU   7           HD13     LEU   7 -10.971  -1.315  -2.274
   73   1HD2  LEU   7           HD21     LEU   7 -10.170   2.065  -2.329
   74   2HD2  LEU   7           HD22     LEU   7  -8.634   1.329  -1.815
   75   3HD2  LEU   7           HD23     LEU   7  -9.633   0.528  -3.042
   76    H    TRP   8           H        TRP   8 -11.295   0.983   2.951
   77    HA   TRP   8           HA       TRP   8  -9.291   0.299   4.700
   78   1HB   TRP   8           HB2      TRP   8 -10.905  -1.159   5.754
   79   2HB   TRP   8           HB1      TRP   8 -11.714   0.298   5.162
   80    HD1  TRP   8           HD1      TRP   8 -13.317   0.009   3.032
   81    HE1  TRP   8           HE1      TRP   8 -14.659  -1.988   2.113
   82    HE3  TRP   8           HE3      TRP   8 -10.895  -3.780   5.478
   83    HZ2  TRP   8           HZ2      TRP   8 -14.672  -4.827   2.404
   84    HZ3  TRP   8           HZ3      TRP   8 -11.608  -6.131   5.125
   85    HH2  TRP   8           HH2      TRP   8 -13.490  -6.660   3.595
   86    H    GLU   9           H        GLU   9 -10.663  -1.916   2.172
   87    HA   GLU   9           HA       GLU   9  -9.143  -4.159   3.009
   88   1HB   GLU   9           H        GLU   9  -9.744  -5.122   0.815
   89   2HB   GLU   9           H        GLU   9 -11.137  -4.374   1.625
   90   1HG   GLU   9           H        GLU   9 -10.649  -2.278   0.243
   91   2HG   GLU   9           H        GLU   9  -9.514  -3.267  -0.696
   92    H    GLU  10           H        GLU  10  -8.420  -1.646   0.506
   93    HA   GLU  10           HA       GLU  10  -6.004  -2.918  -0.365
   94   1HB   GLU  10           H        GLU  10  -7.053  -0.073  -0.561
   95   2HB   GLU  10           H        GLU  10  -5.489  -0.574  -1.246
   96   1HG   GLU  10           H        GLU  10  -6.940  -2.536  -2.304
   97   2HG   GLU  10           H        GLU  10  -8.278  -1.398  -2.053
   98    H    ASP  11           H        ASP  11  -6.702  -0.408   2.125
   99    HA   ASP  11           HA       ASP  11  -3.976   0.144   2.764
  100   1HB   ASP  11           H        ASP  11  -5.891   1.549   3.463
  101   2HB   ASP  11           H        ASP  11  -6.461   0.245   4.527
  102    H    LYS  12           H        LYS  12  -6.363  -2.152   4.171
  103    HA   LYS  12           HA       LYS  12  -4.659  -3.289   6.125
  104   1HB   LYS  12           H        LYS  12  -7.097  -3.551   6.122
  105   2HB   LYS  12           H        LYS  12  -7.023  -4.456   4.595
  106   1HG   LYS  12           H        LYS  12  -5.254  -5.574   6.683
  107   2HG   LYS  12           H        LYS  12  -6.969  -5.564   7.152
  108   1HD   LYS  12           H        LYS  12  -7.559  -6.686   5.013
  109   2HD   LYS  12           H        LYS  12  -5.836  -6.729   4.566
  110   1HE   LYS  12           H        LYS  12  -5.328  -8.125   6.515
  111   2HE   LYS  12           H        LYS  12  -7.011  -8.007   7.074
  112   1HZ   LYS  12           H        LYS  12  -6.127  -9.247   4.561
  113   2HZ   LYS  12           H        LYS  12  -6.598 -10.053   5.922
  114   3HZ   LYS  12           H        LYS  12  -7.688  -9.140   5.085
  115    H    ASN  13           H        ASN  13  -5.206  -4.077   2.676
  116    HA   ASN  13           HA       ASN  13  -3.657  -6.469   2.640
  117   1HB   ASN  13           HB2      ASN  13  -5.315  -5.610   0.898
  118   2HB   ASN  13           HB1      ASN  13  -4.049  -4.491   0.359
  119   1HD2  ASN  13           HD22     ASN  13  -2.775  -6.906  -1.839
  120   2HD2  ASN  13           HD21     ASN  13  -3.227  -5.245  -1.528
  121    H    LEU  14           H        LEU  14  -2.838  -3.044   1.872
  122    HA   LEU  14           HA       LEU  14  -0.151  -3.471   1.143
  123   1HB   LEU  14           HB2      LEU  14  -1.472  -1.383   0.782
  124   2HB   LEU  14           HB1      LEU  14  -1.372  -1.037   2.521
  125    HG   LEU  14           HG       LEU  14   1.225  -1.625   1.143
  126   1HD1  LEU  14           HD11     LEU  14   0.032  -0.233  -0.533
  127   2HD1  LEU  14           HD12     LEU  14  -0.282   0.991   0.721
  128   3HD1  LEU  14           HD13     LEU  14   1.387   0.646   0.211
  129   1HD2  LEU  14           HD21     LEU  14   0.236   0.436   3.167
  130   2HD2  LEU  14           HD22     LEU  14   1.237  -0.994   3.496
  131   3HD2  LEU  14           HD23     LEU  14   1.907   0.357   2.564
  132    H    ARG  15           H        ARG  15  -1.411  -2.329   4.359
  133    HA   ARG  15           HA       ARG  15   1.139  -2.368   5.576
  134   1HB   ARG  15           H        ARG  15  -0.024  -2.106   7.673
  135   2HB   ARG  15           H        ARG  15  -0.870  -1.162   6.432
  136   1HG   ARG  15           H        ARG  15  -2.364  -3.284   6.166
  137   2HG   ARG  15           H        ARG  15  -1.700  -3.763   7.744
  138   1HD   ARG  15           H        ARG  15  -2.348  -1.358   8.502
  139   2HD   ARG  15           H        ARG  15  -3.337  -1.312   7.029
  140    HE   ARG  15           H        ARG  15  -3.750  -3.646   8.773
  141   1HH1  ARG  15           H        ARG  15  -4.912  -0.468   7.654
  142   2HH1  ARG  15           H        ARG  15  -6.413  -0.574   8.549
  143   1HH2  ARG  15           H        ARG  15  -5.778  -3.786   9.861
  144   2HH2  ARG  15           H        ARG  15  -6.966  -2.519   9.669
  145    H    SER  16           H        SER  16  -1.318  -4.967   5.257
  146    HA   SER  16           HA       SER  16  -0.083  -6.818   7.031
  147   1HB   SER  16           HB2      SER  16  -2.321  -7.217   6.218
  148   2HB   SER  16           HB1      SER  16  -1.775  -7.188   4.526
  149    HG   SER  16           HG       SER  16  -2.067  -9.321   5.477
  150    H    GLY  17           H        GLY  17   0.324  -6.275   3.488
  151   1HA   GLY  17           HA2      GLY  17   2.229  -8.357   3.092
  152   2HA   GLY  17           HA1      GLY  17   1.955  -6.960   2.032
  153    H    VAL  18           H        VAL  18   2.731  -4.777   3.346
  154    HA   VAL  18           HA       VAL  18   5.538  -4.870   3.185
  155    HB   VAL  18           HB       VAL  18   3.759  -2.852   4.621
  156   1HG1  VAL  18           HG13     VAL  18   6.664  -2.795   3.701
  157   2HG1  VAL  18           HG11     VAL  18   5.733  -1.325   4.065
  158   3HG1  VAL  18           HG12     VAL  18   6.037  -2.521   5.343
  159   1HG2  VAL  18           HG21     VAL  18   3.252  -3.245   2.177
  160   2HG2  VAL  18           HG22     VAL  18   3.863  -1.613   2.513
  161   3HG2  VAL  18           HG23     VAL  18   4.939  -2.838   1.803
  162    H    ARG  19           H        ARG  19   3.399  -5.278   6.047
  163    HA   ARG  19           HA       ARG  19   5.436  -5.024   8.014
  164   1HB   ARG  19           H        ARG  19   2.985  -5.022   8.458
  165   2HB   ARG  19           H        ARG  19   2.933  -6.762   8.087
  166   1HG   ARG  19           H        ARG  19   4.464  -7.236   9.943
  167   2HG   ARG  19           H        ARG  19   4.675  -5.497  10.253
  168   1HD   ARG  19           H        ARG  19   2.193  -5.343  10.679
  169   2HD   ARG  19           H        ARG  19   2.102  -7.111  10.544
  170    HE   ARG  19           H        ARG  19   3.096  -5.555  12.795
  171   1HH1  ARG  19           H        ARG  19   3.355  -8.656  11.093
  172   2HH1  ARG  19           H        ARG  19   3.870  -9.541  12.508
  173   1HH2  ARG  19           H        ARG  19   3.804  -6.728  14.649
  174   2HH2  ARG  19           H        ARG  19   4.149  -8.438  14.530
  175    H    LYS  20           H        LYS  20   4.584  -7.709   5.836
  176    HA   LYS  20           HA       LYS  20   6.331  -9.568   7.346
  177   1HB   LYS  20           H        LYS  20   4.415  -9.881   5.009
  178   2HB   LYS  20           H        LYS  20   5.492 -11.188   5.559
  179   1HG   LYS  20           H        LYS  20   4.534 -10.931   7.873
  180   2HG   LYS  20           H        LYS  20   3.366  -9.762   7.222
  181   1HD   LYS  20           H        LYS  20   3.671 -12.562   6.059
  182   2HD   LYS  20           H        LYS  20   2.599 -12.235   7.438
  183   1HE   LYS  20           H        LYS  20   2.438 -10.811   4.743
  184   2HE   LYS  20           H        LYS  20   1.411 -12.173   5.233
  185   1HZ   LYS  20           H        LYS  20   0.736 -10.780   7.133
  186   2HZ   LYS  20           H        LYS  20   1.526  -9.503   6.443
  187   3HZ   LYS  20           H        LYS  20   0.252 -10.206   5.664
  188    H    TYR  21           H        TYR  21   5.966  -8.417   3.928
  189    HA   TYR  21           HA       TYR  21   8.448  -9.528   3.058
  190   1HB   TYR  21           HB2      TYR  21   6.568  -7.405   2.008
  191   2HB   TYR  21           HB1      TYR  21   8.101  -7.746   1.192
  192    HD1  TYR  21           HD2      TYR  21   4.860  -9.281   2.259
  193    HD2  TYR  21           HD1      TYR  21   8.365  -9.649  -0.217
  194    HE1  TYR  21           HE2      TYR  21   3.817 -11.190   1.067
  195    HE2  TYR  21           HE1      TYR  21   7.314 -11.561  -1.407
  196    HH   TYR  21           HH       TYR  21   4.060 -12.778  -0.563
  197    H    GLY  22           H        GLY  22   7.577  -6.397   4.524
  198   1HA   GLY  22           HA1      GLY  22   9.081  -5.012   5.697
  199   2HA   GLY  22           HA2      GLY  22  10.453  -5.803   4.889
  200    H    GLU  23           H        GLU  23   9.720  -2.882   5.172
  201    HA   GLU  23           HA       GLU  23   8.795  -1.896   2.661
  202   1HB   GLU  23           H        GLU  23  10.082   0.223   3.428
  203   2HB   GLU  23           H        GLU  23   8.721  -0.341   4.417
  204   1HG   GLU  23           H        GLU  23  11.416  -1.447   5.111
  205   2HG   GLU  23           H        GLU  23  11.149   0.274   5.453
  206    H    GLY  24           H        GLY  24   9.797  -1.396   0.788
  207   1HA   GLY  24           HA1      GLY  24  12.104  -0.811  -0.186
  208   2HA   GLY  24           HA2      GLY  24  12.584  -2.400   0.458
  209    H    ASN  25           H        ASN  25  10.423  -3.988  -0.001
  210    HA   ASN  25           HA       ASN  25  10.464  -4.299  -2.913
  211   1HB   ASN  25           HB2      ASN  25   9.164  -5.859  -0.639
  212   2HB   ASN  25           HB1      ASN  25   9.048  -6.319  -2.351
  213   1HD2  ASN  25           HD21     ASN  25  12.546  -7.235  -2.639
  214   2HD2  ASN  25           HD22     ASN  25  11.245  -6.476  -3.530
  215    H    TRP  26           H        TRP  26   9.082  -3.170  -4.165
  216    HA   TRP  26           HA       TRP  26   6.330  -2.664  -3.115
  217   1HB   TRP  26           HB2      TRP  26   7.924  -0.799  -4.898
  218   2HB   TRP  26           HB1      TRP  26   6.358  -0.492  -4.135
  219    HD1  TRP  26           HD1      TRP  26   9.874   0.235  -3.726
  220    HE1  TRP  26           HE1      TRP  26  10.468   1.082  -1.367
  221    HE3  TRP  26           HE3      TRP  26   5.563  -1.067  -1.301
  222    HZ2  TRP  26           HZ2      TRP  26   9.237   1.170   1.209
  223    HZ3  TRP  26           HZ3      TRP  26   5.310  -0.571   1.114
  224    HH2  TRP  26           HH2      TRP  26   7.138   0.534   2.374
  225    H    SER  27           H        SER  27   8.279  -2.468  -6.165
  226    HA   SER  27           HA       SER  27   6.142  -3.075  -7.913
  227   1HB   SER  27           HB1      SER  27   9.108  -3.728  -8.212
  228   2HB   SER  27           HB2      SER  27   7.915  -3.620  -9.530
  229    HG   SER  27           HG       SER  27   7.651  -1.447  -9.066
  230    H    LYS  28           H        LYS  28   8.459  -5.161  -6.149
  231    HA   LYS  28           HA       LYS  28   7.536  -7.624  -7.300
  232   1HB   LYS  28           H        LYS  28   9.765  -7.109  -6.101
  233   2HB   LYS  28           H        LYS  28   8.853  -7.286  -4.584
  234   1HG   LYS  28           H        LYS  28   8.158  -9.567  -5.271
  235   2HG   LYS  28           H        LYS  28   9.043  -9.379  -6.800
  236   1HD   LYS  28           H        LYS  28  10.632 -10.511  -5.518
  237   2HD   LYS  28           H        LYS  28  11.088  -8.821  -5.204
  238   1HE   LYS  28           H        LYS  28  11.035  -9.815  -3.053
  239   2HE   LYS  28           H        LYS  28   9.482  -8.963  -3.169
  240   1HZ   LYS  28           H        LYS  28   8.469 -11.051  -3.794
  241   2HZ   LYS  28           H        LYS  28   9.919 -11.828  -3.653
  242   3HZ   LYS  28           H        LYS  28   9.209 -11.167  -2.321
  243    H    ILE  29           H        ILE  29   6.703  -5.745  -4.344
  244    HA   ILE  29           HA       ILE  29   5.012  -7.709  -3.184
  245    HB   ILE  29           HB       ILE  29   5.864  -5.063  -2.585
  246   1HG1  ILE  29           HG11     ILE  29   4.091  -7.055  -1.100
  247   2HG1  ILE  29           HG12     ILE  29   5.867  -6.971  -1.056
  248   1HG2  ILE  29           HG21     ILE  29   3.693  -4.269  -3.583
  249   2HG2  ILE  29           HG23     ILE  29   2.823  -5.294  -2.416
  250   3HG2  ILE  29           HG22     ILE  29   3.824  -3.940  -1.848
  251   1HD1  ILE  29           HD13     ILE  29   5.589  -4.576  -0.168
  252   2HD1  ILE  29           HD12     ILE  29   3.870  -4.970   0.066
  253   3HD1  ILE  29           HD11     ILE  29   5.119  -5.885   0.937
  254    H    LEU  30           H        LEU  30   4.464  -5.290  -5.744
  255    HA   LEU  30           HA       LEU  30   1.631  -5.396  -5.786
  256   1HB   LEU  30           HB1      LEU  30   3.130  -3.751  -6.976
  257   2HB   LEU  30           HB2      LEU  30   3.510  -5.024  -8.156
  258    HG   LEU  30           HG       LEU  30   0.603  -4.675  -7.667
  259   1HD1  LEU  30           HD13     LEU  30   2.232  -2.441  -8.959
  260   2HD1  LEU  30           HD11     LEU  30   0.457  -2.575  -8.989
  261   3HD1  LEU  30           HD12     LEU  30   1.304  -2.320  -7.445
  262   1HD2  LEU  30           HD22     LEU  30   1.585  -6.079  -9.478
  263   2HD2  LEU  30           HD23     LEU  30   0.565  -4.779 -10.134
  264   3HD2  LEU  30           HD21     LEU  30   2.337  -4.629 -10.181
  265    H    LEU  31           H        LEU  31   4.108  -7.616  -7.070
  266    HA   LEU  31           HA       LEU  31   2.322  -9.100  -8.776
  267   1HB   LEU  31           HB2      LEU  31   4.942  -9.948  -7.463
  268   2HB   LEU  31           HB1      LEU  31   4.143 -10.759  -8.819
  269    HG   LEU  31           HG       LEU  31   5.243  -7.909  -8.827
  270   1HD1  LEU  31           HD12     LEU  31   6.961  -9.706  -8.888
  271   2HD1  LEU  31           HD11     LEU  31   6.138 -10.430 -10.290
  272   3HD1  LEU  31           HD13     LEU  31   6.880  -8.818 -10.428
  273   1HD2  LEU  31           HD21     LEU  31   3.720  -9.539 -10.894
  274   2HD2  LEU  31           HD23     LEU  31   3.352  -7.906 -10.291
  275   3HD2  LEU  31           HD22     LEU  31   4.757  -8.167 -11.347
  276    H    HIS  32           H        HIS  32   3.681  -9.746  -5.486
  277    HA   HIS  32           HA       HIS  32   2.119 -12.130  -5.104
  278   1HB   HIS  32           HB2      HIS  32   3.344 -10.318  -2.990
  279   2HB   HIS  32           HB1      HIS  32   2.933 -12.036  -2.830
  280    HD1  HIS  32           HD1      HIS  32   4.344 -13.662  -4.644
  281    HD2  HIS  32           HD2      HIS  32   5.961  -9.931  -3.673
  282    HE1  HIS  32           HE1      HIS  32   6.817 -13.709  -5.248
  283    H    TYR  33           H        TYR  33   1.890  -8.900  -3.523
  284    HA   TYR  33           HA       TYR  33  -0.899  -9.443  -2.755
  285   1HB   TYR  33           HB2      TYR  33   1.223  -7.415  -2.095
  286   2HB   TYR  33           HB1      TYR  33  -0.473  -6.961  -1.879
  287    HD1  TYR  33           HD2      TYR  33   1.497 -10.131  -1.202
  288    HD2  TYR  33           HD1      TYR  33  -1.095  -7.062   0.334
  289    HE1  TYR  33           HE2      TYR  33   1.425 -11.287   0.997
  290    HE2  TYR  33           HE1      TYR  33  -1.173  -8.223   2.523
  291    HH   TYR  33           HH       TYR  33  -0.529 -10.037   3.731
  292    H    LYS  34           H        LYS  34  -2.223  -9.316  -4.505
  293    HA   LYS  34           HA       LYS  34  -1.830  -7.708  -6.781
  294   1HB   LYS  34           H        LYS  34  -4.145  -8.269  -7.325
  295   2HB   LYS  34           H        LYS  34  -3.327  -9.691  -6.637
  296   1HG   LYS  34           H        LYS  34  -4.338  -9.171  -4.412
  297   2HG   LYS  34           H        LYS  34  -5.183  -7.783  -5.136
  298   1HD   LYS  34           H        LYS  34  -6.379  -9.286  -6.682
  299   2HD   LYS  34           H        LYS  34  -5.494 -10.685  -6.029
  300   1HE   LYS  34           H        LYS  34  -7.707 -10.577  -4.995
  301   2HE   LYS  34           H        LYS  34  -6.467 -10.218  -3.774
  302   1HZ   LYS  34           H        LYS  34  -8.033  -8.202  -5.236
  303   2HZ   LYS  34           H        LYS  34  -8.335  -8.707  -3.694
  304   3HZ   LYS  34           H        LYS  34  -6.935  -7.906  -4.041
  305    H    PHE  35           H        PHE  35  -2.883  -5.842  -7.547
  306    HA   PHE  35           HA       PHE  35  -4.421  -4.142  -5.723
  307   1HB   PHE  35           HB2      PHE  35  -1.566  -3.579  -6.552
  308   2HB   PHE  35           HB1      PHE  35  -2.702  -2.242  -6.345
  309    HD1  PHE  35           HD1      PHE  35  -4.104  -2.316  -4.061
  310    HD2  PHE  35           HD2      PHE  35  -0.289  -4.214  -4.704
  311    HE1  PHE  35           HE1      PHE  35  -3.690  -2.321  -1.611
  312    HE2  PHE  35           HE2      PHE  35   0.119  -4.220  -2.255
  313    HZ   PHE  35           HZ       PHE  35  -1.580  -3.273  -0.711
  314    H    ASN  36           H        ASN  36  -4.733  -1.900  -7.051
  315    HA   ASN  36           HA       ASN  36  -5.668  -2.765  -9.707
  316   1HB   ASN  36           HB2      ASN  36  -6.896  -0.641  -9.724
  317   2HB   ASN  36           HB1      ASN  36  -7.219  -1.555  -8.241
  318   1HD2  ASN  36           HD22     ASN  36  -5.745   0.819  -6.040
  319   2HD2  ASN  36           HD21     ASN  36  -6.300  -0.830  -6.214
  320    H    ASN  37           H        ASN  37  -5.308   0.395 -10.270
  321    HA   ASN  37           HA       ASN  37  -2.907  -0.015 -11.871
  322   1HB   ASN  37           HB1      ASN  37  -4.697   2.411 -11.423
  323   2HB   ASN  37           HB2      ASN  37  -3.387   2.318 -12.619
  324   1HD2  ASN  37           HD21     ASN  37  -6.560   1.542 -14.408
  325   2HD2  ASN  37           HD22     ASN  37  -5.875   2.910 -13.556
  326    H    ARG  38           H        ARG  38  -1.877  -0.466  -9.513
  327    HA   ARG  38           HA       ARG  38  -0.794   2.086  -8.423
  328   1HB   ARG  38           H        ARG  38  -0.743  -0.787  -7.408
  329   2HB   ARG  38           H        ARG  38   0.042   0.583  -6.590
  330   1HG   ARG  38           H        ARG  38  -2.895   0.741  -7.320
  331   2HG   ARG  38           H        ARG  38  -2.384  -0.140  -5.865
  332   1HD   ARG  38           H        ARG  38  -1.460   1.793  -4.862
  333   2HD   ARG  38           H        ARG  38  -1.394   2.672  -6.401
  334    HE   ARG  38           H        ARG  38  -3.517   3.438  -5.994
  335   1HH1  ARG  38           H        ARG  38  -2.999   0.498  -4.072
  336   2HH1  ARG  38           H        ARG  38  -4.648   0.447  -3.478
  337   1HH2  ARG  38           H        ARG  38  -5.619   3.450  -5.031
  338   2HH2  ARG  38           H        ARG  38  -6.121   2.116  -4.003
  339    H    THR  39           H        THR  39   1.616   2.012  -7.859
  340    HA   THR  39           HA       THR  39   3.108   0.552 -10.006
  341    HB   THR  39           HB       THR  39   4.639   2.591  -9.976
  342    HG1  THR  39           HG1      THR  39   2.398   3.871  -8.812
  343   1HG2  THR  39           HG21     THR  39   2.971   2.166 -11.768
  344   2HG2  THR  39           HG22     THR  39   1.736   3.027 -10.817
  345   3HG2  THR  39           HG23     THR  39   3.152   3.906 -11.442
  346    H    SER  40           H        SER  40   4.580   2.688  -7.635
  347    HA   SER  40           HA       SER  40   5.331   0.511  -5.822
  348   1HB   SER  40           HB2      SER  40   7.808   1.014  -6.245
  349   2HB   SER  40           HB1      SER  40   6.976   0.072  -7.504
  350    HG   SER  40           HG       SER  40   8.195   1.781  -8.397
  351    H    VAL  41           H        VAL  41   6.271   3.794  -6.971
  352    HA   VAL  41           HA       VAL  41   7.090   4.841  -4.493
  353    HB   VAL  41           HB       VAL  41   5.749   6.223  -6.863
  354   1HG1  VAL  41           HG13     VAL  41   7.358   7.313  -4.512
  355   2HG1  VAL  41           HG12     VAL  41   6.962   8.247  -5.973
  356   3HG1  VAL  41           HG11     VAL  41   5.660   7.677  -4.907
  357   1HG2  VAL  41           HG22     VAL  41   8.674   5.751  -6.122
  358   2HG2  VAL  41           HG21     VAL  41   7.802   5.023  -7.492
  359   3HG2  VAL  41           HG23     VAL  41   8.117   6.773  -7.468
  360    H    MET  42           H        MET  42   3.847   4.541  -5.960
  361    HA   MET  42           HA       MET  42   2.330   6.105  -4.221
  362   1HB   MET  42           HB2      MET  42   1.756   3.497  -5.667
  363   2HB   MET  42           HB1      MET  42   0.508   4.362  -4.741
  364   1HG   MET  42           HG2      MET  42   2.167   5.643  -6.944
  365   2HG   MET  42           HG1      MET  42   0.589   4.893  -7.220
  366   1HE   MET  42           HE1      MET  42  -0.258   7.090  -8.359
  367   2HE   MET  42           HE2      MET  42  -0.168   8.702  -7.612
  368   3HE   MET  42           HE3      MET  42   1.325   7.852  -8.074
  369    H    LEU  43           H        LEU  43   3.382   2.682  -3.832
  370    HA   LEU  43           HA       LEU  43   2.071   2.370  -1.271
  371   1HB   LEU  43           HB2      LEU  43   4.202   0.773  -2.759
  372   2HB   LEU  43           HB1      LEU  43   3.541   0.291  -1.185
  373    HG   LEU  43           HG       LEU  43   1.205   0.527  -2.345
  374   1HD1  LEU  43           HD12     LEU  43   3.122   0.457  -4.700
  375   2HD1  LEU  43           HD13     LEU  43   1.469  -0.184  -4.826
  376   3HD1  LEU  43           HD11     LEU  43   1.726   1.528  -4.437
  377   1HD2  LEU  43           HD23     LEU  43   2.215  -1.599  -1.582
  378   2HD2  LEU  43           HD21     LEU  43   1.365  -1.816  -3.131
  379   3HD2  LEU  43           HD22     LEU  43   3.141  -1.703  -3.099
  380    H    LYS  44           H        LYS  44   5.444   2.912  -2.370
  381    HA   LYS  44           HA       LYS  44   6.772   2.733   0.066
  382   1HB   LYS  44           H        LYS  44   7.806   2.950  -2.194
  383   2HB   LYS  44           H        LYS  44   7.341   4.665  -2.218
  384   1HG   LYS  44           H        LYS  44   8.696   5.057  -0.171
  385   2HG   LYS  44           H        LYS  44   9.171   3.343  -0.165
  386   1HD   LYS  44           H        LYS  44  10.199   3.625  -2.408
  387   2HD   LYS  44           H        LYS  44   9.725   5.342  -2.404
  388   1HE   LYS  44           H        LYS  44  11.083   5.687  -0.337
  389   2HE   LYS  44           H        LYS  44  11.595   3.986  -0.409
  390   1HZ   LYS  44           H        LYS  44  12.572   4.443  -2.546
  391   2HZ   LYS  44           H        LYS  44  12.111   6.024  -2.462
  392   3HZ   LYS  44           H        LYS  44  13.213   5.429  -1.388
  393    H    ASP  45           H        ASP  45   5.498   5.776  -1.437
  394    HA   ASP  45           HA       ASP  45   6.267   7.408   0.748
  395   1HB   ASP  45           H        ASP  45   4.469   7.682  -1.629
  396   2HB   ASP  45           H        ASP  45   4.290   8.865  -0.316
  397    H    ARG  46           H        ARG  46   3.090   5.869  -0.007
  398    HA   ARG  46           HA       ARG  46   1.699   7.038   2.166
  399   1HB   ARG  46           H        ARG  46   1.327   4.538   0.509
  400   2HB   ARG  46           H        ARG  46   0.248   4.892   1.881
  401   1HG   ARG  46           H        ARG  46  -0.302   7.087   0.930
  402   2HG   ARG  46           H        ARG  46   0.833   6.817  -0.414
  403   1HD   ARG  46           H        ARG  46  -0.485   4.988  -1.263
  404   2HD   ARG  46           H        ARG  46  -1.527   4.986   0.174
  405    HE   ARG  46           H        ARG  46  -1.654   6.807  -2.124
  406   1HH1  ARG  46           H        ARG  46  -2.548   6.276   1.270
  407   2HH1  ARG  46           H        ARG  46  -3.923   7.351   1.214
  408   1HH2  ARG  46           H        ARG  46  -3.435   8.273  -2.164
  409   2HH2  ARG  46           H        ARG  46  -4.412   8.510  -0.734
  410    H    TRP  47           H        TRP  47   3.771   4.108   2.008
  411    HA   TRP  47           HA       TRP  47   3.028   3.081   4.560
  412   1HB   TRP  47           HB1      TRP  47   4.203   1.742   2.908
  413   2HB   TRP  47           HB2      TRP  47   5.601   2.824   2.975
  414    HD1  TRP  47           HD1      TRP  47   7.469   2.028   4.459
  415    HE1  TRP  47           HE1      TRP  47   7.788   0.429   6.459
  416    HE3  TRP  47           HE3      TRP  47   2.580   0.709   5.218
  417    HZ2  TRP  47           HZ2      TRP  47   6.144  -1.179   8.142
  418    HZ3  TRP  47           HZ3      TRP  47   1.999  -0.856   7.052
  419    HH2  TRP  47           HH2      TRP  47   3.768  -1.808   8.508
  420    H    ARG  48           H        ARG  48   5.206   5.742   3.635
  421    HA   ARG  48           HA       ARG  48   6.919   5.853   5.838
  422   1HB   ARG  48           H        ARG  48   5.563   8.136   4.343
  423   2HB   ARG  48           H        ARG  48   6.911   8.344   5.478
  424   1HG   ARG  48           H        ARG  48   8.411   7.086   4.094
  425   2HG   ARG  48           H        ARG  48   7.082   6.470   3.089
  426   1HD   ARG  48           H        ARG  48   8.190   8.233   1.853
  427   2HD   ARG  48           H        ARG  48   6.600   8.834   2.369
  428    HE   ARG  48           H        ARG  48   8.542   9.530   4.337
  429   1HH1  ARG  48           H        ARG  48   7.604  10.280   0.991
  430   2HH1  ARG  48           H        ARG  48   8.178  11.936   1.071
  431   1HH2  ARG  48           H        ARG  48   9.299  11.711   4.416
  432   2HH2  ARG  48           H        ARG  48   9.153  12.745   3.014
  433    H    THR  49           H        THR  49   3.712   7.494   5.554
  434    HA   THR  49           HA       THR  49   3.714   8.071   8.419
  435    HB   THR  49           HB       THR  49   2.833   9.690   6.754
  436    HG1  THR  49           HG1      THR  49   0.887  10.063   7.904
  437   1HG2  THR  49           HG23     THR  49   1.848   7.971   5.187
  438   2HG2  THR  49           HG22     THR  49   0.551   7.698   6.374
  439   3HG2  THR  49           HG21     THR  49   0.729   9.287   5.602
  440    H    MET  50           H        MET  50   2.082   5.807   6.154
  441    HA   MET  50           HA       MET  50   0.393   4.738   8.296
  442   1HB   MET  50           HB2      MET  50  -0.130   4.993   5.737
  443   2HB   MET  50           HB1      MET  50   0.792   3.485   5.568
  444   1HG   MET  50           HG1      MET  50  -1.533   2.898   5.815
  445   2HG   MET  50           HG2      MET  50  -0.703   2.453   7.311
  446   1HE   MET  50           HE2      MET  50  -3.229   4.728   5.515
  447   2HE   MET  50           HE3      MET  50  -3.701   5.926   6.741
  448   3HE   MET  50           HE1      MET  50  -2.083   5.995   6.010
  449    H    LYS  51           H        LYS  51   3.177   4.598   8.920
  450    HA   LYS  51           HA       LYS  51   4.028   1.836   8.439
  451   1HB   LYS  51           H        LYS  51   5.665   3.670   8.390
  452   2HB   LYS  51           H        LYS  51   5.243   4.101  10.062
  453   1HG   LYS  51           H        LYS  51   6.189   2.105  10.932
  454   2HG   LYS  51           H        LYS  51   6.167   1.299   9.345
  455   1HD   LYS  51           H        LYS  51   8.464   1.994   9.986
  456   2HD   LYS  51           H        LYS  51   7.916   2.822   8.512
  457   1HE   LYS  51           H        LYS  51   7.385   4.166  11.155
  458   2HE   LYS  51           H        LYS  51   9.059   4.143  10.563
  459   1HZ   LYS  51           H        LYS  51   8.276   5.129   8.522
  460   2HZ   LYS  51           H        LYS  51   6.732   5.194   9.099
  461   3HZ   LYS  51           H        LYS  51   7.921   6.082   9.817
  462    H    LYS  52           H        LYS  52   2.944   3.925  11.071
  463    HA   LYS  52           HA       LYS  52   1.669   1.822  12.533
  464   1HB   LYS  52           H        LYS  52   4.040   1.226  13.070
  465   2HB   LYS  52           H        LYS  52   4.301   2.881  13.664
  466   1HG   LYS  52           H        LYS  52   2.429   2.495  15.331
  467   2HG   LYS  52           H        LYS  52   2.356   0.811  14.782
  468   1HD   LYS  52           H        LYS  52   3.741   0.803  16.737
  469   2HD   LYS  52           H        LYS  52   4.845   0.637  15.354
  470   1HE   LYS  52           H        LYS  52   5.682   2.272  17.038
  471   2HE   LYS  52           H        LYS  52   5.396   3.034  15.464
  472   1HZ   LYS  52           H        LYS  52   3.444   3.084  17.654
  473   2HZ   LYS  52           H        LYS  52   4.566   4.266  17.414
  474   3HZ   LYS  52           H        LYS  52   3.419   3.978  16.263
  475    H    LEU  53           H        LEU  53   3.237   4.983  12.372
  476    HA   LEU  53           HA       LEU  53   2.524   7.075  12.951
  477   1HB   LEU  53           HB1      LEU  53   0.215   6.076  12.271
  478   2HB   LEU  53           HB2      LEU  53  -0.088   5.965  14.019
  479    HG   LEU  53           HG       LEU  53   1.019   8.582  13.169
  480   1HD1  LEU  53           HD13     LEU  53  -1.742   7.694  12.223
  481   2HD1  LEU  53           HD12     LEU  53  -1.115   9.359  12.165
  482   3HD1  LEU  53           HD11     LEU  53  -0.355   8.088  11.178
  483   1HD2  LEU  53           HD21     LEU  53   0.108   8.078  15.435
  484   2HD2  LEU  53           HD23     LEU  53  -0.783   9.395  14.639
  485   3HD2  LEU  53           HD22     LEU  53  -1.485   7.760  14.709
   
  No H/Q in entry =         485
  Start of MODEL   11
    1   1H    ARG   1           H3       ARG   1 -14.648   3.103  -8.286
    2   2H    ARG   1           H1       ARG   1 -15.993   2.409  -7.620
    3   3H    ARG   1           H2       ARG   1 -14.495   1.983  -7.080
    4    HA   ARG   1           HA       ARG   1 -15.307   0.245  -8.432
    5   1HB   ARG   1           H        ARG   1 -16.890   1.773  -9.684
    6   2HB   ARG   1           H        ARG   1 -15.501   2.345 -10.635
    7   1HG   ARG   1           H        ARG   1 -15.111   0.136 -11.536
    8   2HG   ARG   1           H        ARG   1 -16.277  -0.597 -10.413
    9   1HD   ARG   1           H        ARG   1 -17.035   1.528 -12.460
   10   2HD   ARG   1           H        ARG   1 -17.113  -0.210 -12.805
   11    HE   ARG   1           H        ARG   1 -18.932   1.353 -11.128
   12   1HH1  ARG   1           H        ARG   1 -17.633  -1.881 -11.792
   13   2HH1  ARG   1           H        ARG   1 -19.053  -2.718 -11.212
   14   1HH2  ARG   1           H        ARG   1 -20.807   0.237 -10.377
   15   2HH2  ARG   1           H        ARG   1 -20.851  -1.511 -10.382
   16    H    LYS   2           H        LYS   2 -13.865  -0.951  -9.866
   17    HA   LYS   2           HA       LYS   2 -11.743  -1.583 -10.475
   18   1HB   LYS   2           H        LYS   2 -11.978   1.215 -11.635
   19   2HB   LYS   2           H        LYS   2 -10.544   0.209 -11.922
   20   1HG   LYS   2           H        LYS   2 -13.299  -0.937 -12.423
   21   2HG   LYS   2           H        LYS   2 -12.545   0.131 -13.627
   22   1HD   LYS   2           H        LYS   2 -10.502  -1.363 -13.579
   23   2HD   LYS   2           H        LYS   2 -11.400  -2.472 -12.516
   24   1HE   LYS   2           H        LYS   2 -11.673  -3.332 -14.731
   25   2HE   LYS   2           H        LYS   2 -13.211  -2.540 -14.326
   26   1HZ   LYS   2           H        LYS   2 -11.044  -1.351 -15.918
   27   2HZ   LYS   2           H        LYS   2 -12.447  -1.974 -16.520
   28   3HZ   LYS   2           H        LYS   2 -12.484  -0.632 -15.563
   29    H    ARG   3           H        ARG   3 -11.963  -0.624  -7.755
   30    HA   ARG   3           HA       ARG   3 -10.694   0.153  -5.992
   31   1HB   ARG   3           H        ARG   3  -8.582  -1.080  -7.797
   32   2HB   ARG   3           H        ARG   3  -8.317  -0.667  -6.089
   33   1HG   ARG   3           H        ARG   3 -10.030  -2.236  -5.380
   34   2HG   ARG   3           H        ARG   3 -10.530  -2.527  -7.061
   35   1HD   ARG   3           H        ARG   3  -9.141  -4.375  -6.412
   36   2HD   ARG   3           H        ARG   3  -8.196  -3.379  -7.529
   37    HE   ARG   3           H        ARG   3  -7.035  -2.408  -5.546
   38   1HH1  ARG   3           H        ARG   3  -8.717  -5.536  -5.131
   39   2HH1  ARG   3           H        ARG   3  -7.752  -6.000  -3.749
   40   1HH2  ARG   3           H        ARG   3  -5.730  -3.104  -3.823
   41   2HH2  ARG   3           H        ARG   3  -6.080  -4.611  -2.978
   42    H    GLN   4           H        GLN   4 -11.343   2.316  -7.536
   43    HA   GLN   4           HA       GLN   4  -9.255   3.848  -8.633
   44   1HB   GLN   4           HB1      GLN   4 -11.942   4.415  -7.401
   45   2HB   GLN   4           HB2      GLN   4 -10.854   5.787  -7.714
   46   1HG   GLN   4           HG2      GLN   4 -10.830   5.425 -10.027
   47   2HG   GLN   4           HG1      GLN   4 -11.307   3.724  -9.873
   48   1HE2  GLN   4           HE21     GLN   4 -14.122   6.393 -10.737
   49   2HE2  GLN   4           HE22     GLN   4 -12.408   6.541 -11.050
   50    H    ALA   5           H        ALA   5 -10.735   4.505  -5.406
   51    HA   ALA   5           HA       ALA   5  -8.263   5.823  -4.547
   52   1HB   ALA   5           HB3      ALA   5 -10.509   6.759  -4.039
   53   2HB   ALA   5           HB2      ALA   5 -10.886   5.306  -3.082
   54   3HB   ALA   5           HB1      ALA   5  -9.585   6.404  -2.559
   55    H    TRP   6           H        TRP   6  -7.713   5.322  -2.087
   56    HA   TRP   6           HA       TRP   6  -6.769   2.572  -2.039
   57   1HB   TRP   6           HB2      TRP   6  -6.588   4.897  -0.089
   58   2HB   TRP   6           HB1      TRP   6  -5.835   3.318   0.186
   59    HD1  TRP   6           HD1      TRP   6  -5.544   6.426  -1.988
   60    HE1  TRP   6           HE1      TRP   6  -3.227   6.520  -3.109
   61    HE3  TRP   6           HE3      TRP   6  -3.800   1.816  -0.611
   62    HZ2  TRP   6           HZ2      TRP   6  -0.951   4.818  -3.371
   63    HZ3  TRP   6           HZ3      TRP   6  -1.542   1.087  -1.329
   64    HH2  TRP   6           HH2      TRP   6  -0.121   2.579  -2.712
   65    H    LEU   7           H        LEU   7  -8.703   1.330  -1.973
   66    HA   LEU   7           HA       LEU   7 -10.753   1.709  -0.011
   67   1HB   LEU   7           HB1      LEU   7  -9.921  -0.835  -1.476
   68   2HB   LEU   7           HB2      LEU   7 -11.483  -0.537  -0.686
   69    HG   LEU   7           HG       LEU   7 -10.362   0.932  -3.116
   70   1HD1  LEU   7           HD12     LEU   7 -11.285  -1.332  -3.542
   71   2HD1  LEU   7           HD11     LEU   7 -12.798  -0.864  -2.731
   72   3HD1  LEU   7           HD13     LEU   7 -12.318  -0.067  -4.248
   73   1HD2  LEU   7           HD23     LEU   7 -12.846   1.412  -1.421
   74   2HD2  LEU   7           HD21     LEU   7 -11.567   2.577  -1.843
   75   3HD2  LEU   7           HD22     LEU   7 -12.692   2.003  -3.092
   76    H    TRP   8           H        TRP   8 -11.269  -0.141   1.607
   77    HA   TRP   8           HA       TRP   8  -9.337  -0.114   3.645
   78   1HB   TRP   8           HB1      TRP   8 -10.843  -1.349   4.855
   79   2HB   TRP   8           HB2      TRP   8 -11.913  -0.712   3.600
   80    HD1  TRP   8           HD1      TRP   8 -10.746  -3.862   5.139
   81    HE1  TRP   8           HE1      TRP   8 -11.700  -5.937   3.950
   82    HE3  TRP   8           HE3      TRP   8 -12.626  -1.598   0.953
   83    HZ2  TRP   8           HZ2      TRP   8 -13.078  -6.523   1.521
   84    HZ3  TRP   8           HZ3      TRP   8 -13.752  -2.958  -0.787
   85    HH2  TRP   8           HH2      TRP   8 -13.982  -5.414  -0.511
   86    H    GLU   9           H        GLU   9  -9.917  -2.479   1.022
   87    HA   GLU   9           HA       GLU   9  -8.149  -4.486   2.029
   88   1HB   GLU   9           H        GLU   9  -9.987  -4.683   0.236
   89   2HB   GLU   9           H        GLU   9  -8.806  -3.987  -0.900
   90   1HG   GLU   9           H        GLU   9  -7.740  -6.205   0.766
   91   2HG   GLU   9           H        GLU   9  -9.066  -6.681  -0.311
   92    H    GLU  10           H        GLU  10  -7.722  -1.817  -0.367
   93    HA   GLU  10           HA       GLU  10  -5.082  -2.338  -1.129
   94   1HB   GLU  10           H        GLU  10  -6.499   0.326  -0.716
   95   2HB   GLU  10           H        GLU  10  -4.961   0.124  -1.575
   96   1HG   GLU  10           H        GLU  10  -6.985  -1.755  -2.556
   97   2HG   GLU  10           H        GLU  10  -7.546  -0.080  -2.679
   98    H    ASP  11           H        ASP  11  -6.308  -0.445   1.678
   99    HA   ASP  11           HA       ASP  11  -3.695   0.282   2.634
  100   1HB   ASP  11           H        ASP  11  -5.727   1.552   3.175
  101   2HB   ASP  11           H        ASP  11  -6.399   0.147   4.030
  102    H    LYS  12           H        LYS  12  -6.063  -2.250   3.649
  103    HA   LYS  12           HA       LYS  12  -4.587  -3.245   5.842
  104   1HB   LYS  12           H        LYS  12  -6.646  -4.445   3.962
  105   2HB   LYS  12           H        LYS  12  -5.941  -5.394   5.288
  106   1HG   LYS  12           H        LYS  12  -7.047  -2.637   5.854
  107   2HG   LYS  12           H        LYS  12  -8.163  -4.013   5.692
  108   1HD   LYS  12           H        LYS  12  -5.723  -4.306   7.443
  109   2HD   LYS  12           H        LYS  12  -7.120  -3.391   8.058
  110   1HE   LYS  12           H        LYS  12  -8.599  -5.320   7.615
  111   2HE   LYS  12           H        LYS  12  -7.226  -6.237   6.958
  112   1HZ   LYS  12           H        LYS  12  -7.460  -5.245   9.714
  113   2HZ   LYS  12           H        LYS  12  -7.677  -6.806   9.228
  114   3HZ   LYS  12           H        LYS  12  -6.190  -6.104   9.104
  115    H    ASN  13           H        ASN  13  -4.592  -4.368   2.410
  116    HA   ASN  13           HA       ASN  13  -2.698  -6.448   2.936
  117   1HB   ASN  13           HB2      ASN  13  -2.919  -6.979   0.734
  118   2HB   ASN  13           HB1      ASN  13  -4.364  -5.969   0.894
  119   1HD2  ASN  13           HD21     ASN  13  -3.351  -3.767  -1.624
  120   2HD2  ASN  13           HD22     ASN  13  -4.645  -4.553  -0.731
  121    H    LEU  14           H        LEU  14  -2.373  -2.972   2.243
  122    HA   LEU  14           HA       LEU  14   0.405  -3.049   1.529
  123   1HB   LEU  14           HB2      LEU  14  -1.080  -1.115   1.054
  124   2HB   LEU  14           HB1      LEU  14  -1.243  -0.812   2.790
  125    HG   LEU  14           HG       LEU  14   1.250  -0.494   2.927
  126   1HD1  LEU  14           HD11     LEU  14   0.981  -0.884  -0.075
  127   2HD1  LEU  14           HD12     LEU  14   2.361  -0.032   0.652
  128   3HD1  LEU  14           HD13     LEU  14   2.063  -1.739   1.045
  129   1HD2  LEU  14           HD22     LEU  14  -0.294   1.429   2.668
  130   2HD2  LEU  14           HD21     LEU  14   1.253   1.722   1.841
  131   3HD2  LEU  14           HD23     LEU  14  -0.189   1.271   0.899
  132    H    ARG  15           H        ARG  15  -1.204  -2.027   4.609
  133    HA   ARG  15           HA       ARG  15   1.219  -1.887   6.080
  134   1HB   ARG  15           H        ARG  15  -0.259  -1.805   8.067
  135   2HB   ARG  15           H        ARG  15  -0.806  -0.721   6.777
  136   1HG   ARG  15           H        ARG  15  -2.276  -2.827   6.096
  137   2HG   ARG  15           H        ARG  15  -2.029  -3.285   7.790
  138   1HD   ARG  15           H        ARG  15  -3.104  -0.600   6.813
  139   2HD   ARG  15           H        ARG  15  -4.101  -1.922   7.450
  140    HE   ARG  15           H        ARG  15  -2.094  -1.309   9.365
  141   1HH1  ARG  15           H        ARG  15  -4.858   0.281   7.805
  142   2HH1  ARG  15           H        ARG  15  -5.407   1.055   9.280
  143   1HH2  ARG  15           H        ARG  15  -2.750  -0.167  11.268
  144   2HH2  ARG  15           H        ARG  15  -4.128   0.906  11.214
  145    H    SER  16           H        SER  16  -0.980  -4.615   5.418
  146    HA   SER  16           HA       SER  16   0.514  -6.335   7.308
  147   1HB   SER  16           HB1      SER  16  -2.046  -6.329   6.973
  148   2HB   SER  16           HB2      SER  16  -1.723  -7.168   5.436
  149    HG   SER  16           HG       SER  16  -2.019  -8.680   7.070
  150    H    GLY  17           H        GLY  17   1.378  -5.129   4.445
  151   1HA   GLY  17           HA1      GLY  17   2.363  -7.732   3.341
  152   2HA   GLY  17           HA2      GLY  17   2.005  -6.291   2.365
  153    H    VAL  18           H        VAL  18   3.164  -4.224   3.641
  154    HA   VAL  18           HA       VAL  18   5.896  -4.448   2.983
  155    HB   VAL  18           HB       VAL  18   4.397  -2.507   4.793
  156   1HG1  VAL  18           HG13     VAL  18   7.269  -2.617   3.853
  157   2HG1  VAL  18           HG11     VAL  18   6.479  -1.052   4.134
  158   3HG1  VAL  18           HG12     VAL  18   6.638  -2.221   5.466
  159   1HG2  VAL  18           HG23     VAL  18   3.724  -2.599   2.383
  160   2HG2  VAL  18           HG22     VAL  18   4.484  -1.052   2.818
  161   3HG2  VAL  18           HG21     VAL  18   5.411  -2.281   1.924
  162    H    ARG  19           H        ARG  19   4.217  -4.787   6.135
  163    HA   ARG  19           HA       ARG  19   6.636  -5.033   7.669
  164   1HB   ARG  19           H        ARG  19   4.368  -4.324   8.513
  165   2HB   ARG  19           H        ARG  19   3.830  -6.011   8.344
  166   1HG   ARG  19           H        ARG  19   5.296  -6.779  10.033
  167   2HG   ARG  19           H        ARG  19   6.339  -5.342   9.917
  168   1HD   ARG  19           H        ARG  19   3.444  -5.253  10.863
  169   2HD   ARG  19           H        ARG  19   4.834  -5.414  11.961
  170    HE   ARG  19           H        ARG  19   5.276  -3.182  10.245
  171   1HH1  ARG  19           H        ARG  19   3.178  -4.220  12.903
  172   2HH1  ARG  19           H        ARG  19   2.931  -2.603  13.520
  173   1HH2  ARG  19           H        ARG  19   4.956  -1.050  11.072
  174   2HH2  ARG  19           H        ARG  19   3.939  -0.795  12.471
  175    H    LYS  20           H        LYS  20   4.958  -7.218   5.547
  176    HA   LYS  20           HA       LYS  20   6.034  -9.625   6.899
  177   1HB   LYS  20           H        LYS  20   4.004  -9.053   4.749
  178   2HB   LYS  20           H        LYS  20   4.826 -10.627   4.737
  179   1HG   LYS  20           H        LYS  20   2.710 -10.707   6.031
  180   2HG   LYS  20           H        LYS  20   4.124 -11.052   7.055
  181   1HD   LYS  20           H        LYS  20   4.031  -8.921   8.102
  182   2HD   LYS  20           H        LYS  20   3.020  -8.233   6.811
  183   1HE   LYS  20           H        LYS  20   1.679  -8.655   8.836
  184   2HE   LYS  20           H        LYS  20   1.139  -9.686   7.494
  185   1HZ   LYS  20           H        LYS  20   2.933 -10.517   9.670
  186   2HZ   LYS  20           H        LYS  20   1.332 -10.895   9.546
  187   3HZ   LYS  20           H        LYS  20   2.404 -11.473   8.435
  188    H    TYR  21           H        TYR  21   6.004  -8.284   3.533
  189    HA   TYR  21           HA       TYR  21   8.260  -9.906   2.745
  190   1HB   TYR  21           HB2      TYR  21   6.878  -7.522   1.458
  191   2HB   TYR  21           HB1      TYR  21   8.149  -8.479   0.680
  192    HD1  TYR  21           HD1      TYR  21   7.747 -10.963   0.267
  193    HD2  TYR  21           HD2      TYR  21   4.610  -8.259   1.444
  194    HE1  TYR  21           HE1      TYR  21   6.044 -12.584  -0.533
  195    HE2  TYR  21           HE2      TYR  21   2.911  -9.877   0.643
  196    HH   TYR  21           HH       TYR  21   3.812 -13.018  -0.816
  197    H    GLY  22           H        GLY  22   7.933  -6.293   2.885
  198   1HA   GLY  22           HA1      GLY  22   9.929  -5.565   4.550
  199   2HA   GLY  22           HA2      GLY  22  10.850  -6.046   3.107
  200    H    GLU  23           H        GLU  23  10.558  -3.371   4.341
  201    HA   GLU  23           HA       GLU  23   8.836  -1.783   2.633
  202   1HB   GLU  23           H        GLU  23   9.511  -1.204   4.987
  203   2HB   GLU  23           H        GLU  23  11.167  -0.921   4.404
  204   1HG   GLU  23           H        GLU  23  10.431   0.880   2.964
  205   2HG   GLU  23           H        GLU  23   8.723   0.485   3.245
  206    H    GLY  24           H        GLY  24   9.473  -2.504   0.537
  207   1HA   GLY  24           HA1      GLY  24  11.074  -0.909  -0.977
  208   2HA   GLY  24           HA2      GLY  24  12.224  -2.116  -0.363
  209    H    ASN  25           H        ASN  25  10.052  -4.208  -0.213
  210    HA   ASN  25           HA       ASN  25  10.361  -5.192  -2.946
  211   1HB   ASN  25           HB2      ASN  25   8.873  -6.350  -0.550
  212   2HB   ASN  25           HB1      ASN  25   9.320  -7.217  -2.033
  213   1HD2  ASN  25           HD21     ASN  25  12.854  -7.349  -1.242
  214   2HD2  ASN  25           HD22     ASN  25  11.756  -7.124  -2.586
  215    H    TRP  26           H        TRP  26   8.962  -2.901  -3.247
  216    HA   TRP  26           HA       TRP  26   6.141  -3.063  -2.954
  217   1HB   TRP  26           HB2      TRP  26   7.714  -1.542  -5.059
  218   2HB   TRP  26           HB1      TRP  26   6.099  -1.160  -4.442
  219    HD1  TRP  26           HD1      TRP  26   9.566  -0.188  -4.028
  220    HE1  TRP  26           HE1      TRP  26  10.004   1.117  -1.854
  221    HE3  TRP  26           HE3      TRP  26   5.184  -1.198  -1.594
  222    HZ2  TRP  26           HZ2      TRP  26   8.649   1.620   0.609
  223    HZ3  TRP  26           HZ3      TRP  26   4.792  -0.273   0.671
  224    HH2  TRP  26           HH2      TRP  26   6.517   1.120   1.782
  225    H    SER  27           H        SER  27   8.314  -3.865  -5.709
  226    HA   SER  27           HA       SER  27   6.282  -4.580  -7.553
  227   1HB   SER  27           HB2      SER  27   8.176  -5.938  -8.591
  228   2HB   SER  27           HB1      SER  27   8.525  -4.213  -8.322
  229    HG   SER  27           HG       SER  27  10.216  -5.572  -7.578
  230    H    LYS  28           H        LYS  28   8.116  -6.532  -5.147
  231    HA   LYS  28           HA       LYS  28   7.025  -9.050  -5.805
  232   1HB   LYS  28           H        LYS  28   8.946  -8.249  -4.129
  233   2HB   LYS  28           H        LYS  28   7.625  -8.347  -2.942
  234   1HG   LYS  28           H        LYS  28   8.368 -10.538  -2.840
  235   2HG   LYS  28           H        LYS  28   7.202 -10.695  -4.169
  236   1HD   LYS  28           H        LYS  28   9.105 -11.721  -5.081
  237   2HD   LYS  28           H        LYS  28   9.244 -10.061  -5.703
  238   1HE   LYS  28           H        LYS  28  11.412 -10.621  -4.861
  239   2HE   LYS  28           H        LYS  28  10.689  -9.555  -3.640
  240   1HZ   LYS  28           H        LYS  28  10.750 -12.490  -3.520
  241   2HZ   LYS  28           H        LYS  28  11.730 -11.474  -2.668
  242   3HZ   LYS  28           H        LYS  28  10.108 -11.491  -2.377
  243    H    ILE  29           H        ILE  29   5.924  -6.566  -3.427
  244    HA   ILE  29           HA       ILE  29   3.684  -8.018  -2.456
  245    HB   ILE  29           HB       ILE  29   4.294  -5.042  -2.673
  246   1HG1  ILE  29           HG12     ILE  29   4.105  -6.765  -0.182
  247   2HG1  ILE  29           HG11     ILE  29   5.598  -6.723  -1.142
  248   1HG2  ILE  29           HG21     ILE  29   1.965  -6.461  -1.300
  249   2HG2  ILE  29           HG22     ILE  29   2.413  -4.764  -1.021
  250   3HG2  ILE  29           HG23     ILE  29   1.859  -5.280  -2.627
  251   1HD1  ILE  29           HD12     ILE  29   5.600  -4.213  -0.927
  252   2HD1  ILE  29           HD13     ILE  29   4.205  -4.349   0.169
  253   3HD1  ILE  29           HD11     ILE  29   5.768  -5.060   0.627
  254    H    LEU  30           H        LEU  30   4.046  -5.730  -5.213
  255    HA   LEU  30           HA       LEU  30   1.337  -5.611  -5.985
  256   1HB   LEU  30           HB2      LEU  30   3.688  -4.497  -6.852
  257   2HB   LEU  30           HB1      LEU  30   3.407  -5.676  -8.145
  258    HG   LEU  30           HG       LEU  30   2.391  -3.609  -8.830
  259   1HD1  LEU  30           HD13     LEU  30   1.051  -5.724  -9.179
  260   2HD1  LEU  30           HD12     LEU  30   0.109  -5.297  -7.732
  261   3HD1  LEU  30           HD11     LEU  30   0.084  -4.231  -9.152
  262   1HD2  LEU  30           HD23     LEU  30   2.302  -2.557  -6.583
  263   2HD2  LEU  30           HD22     LEU  30   0.770  -2.375  -7.468
  264   3HD2  LEU  30           HD21     LEU  30   0.909  -3.577  -6.168
  265    H    LEU  31           H        LEU  31   3.919  -7.953  -6.849
  266    HA   LEU  31           HA       LEU  31   2.348  -9.405  -8.754
  267   1HB   LEU  31           HB2      LEU  31   4.839 -10.037  -7.135
  268   2HB   LEU  31           HB1      LEU  31   4.137 -11.199  -8.280
  269    HG   LEU  31           HG       LEU  31   4.736  -8.348  -9.141
  270   1HD1  LEU  31           HD11     LEU  31   6.654 -10.721  -9.135
  271   2HD1  LEU  31           HD13     LEU  31   6.943  -9.167  -9.952
  272   3HD1  LEU  31           HD12     LEU  31   6.826  -9.230  -8.179
  273   1HD2  LEU  31           HD22     LEU  31   4.591 -11.033 -10.589
  274   2HD2  LEU  31           HD23     LEU  31   3.358  -9.752 -10.633
  275   3HD2  LEU  31           HD21     LEU  31   4.956  -9.470 -11.356
  276    H    HIS  32           H        HIS  32   3.055  -9.965  -5.253
  277    HA   HIS  32           HA       HIS  32   1.480 -12.403  -5.204
  278   1HB   HIS  32           HB2      HIS  32   2.662 -10.657  -3.015
  279   2HB   HIS  32           HB1      HIS  32   1.854 -12.209  -2.729
  280    HD1  HIS  32           HD1      HIS  32   3.009 -14.116  -4.716
  281    HD2  HIS  32           HD2      HIS  32   5.342 -11.151  -2.907
  282    HE1  HIS  32           HE1      HIS  32   5.442 -14.848  -4.868
  283    H    TYR  33           H        TYR  33   1.038  -9.349  -3.317
  284    HA   TYR  33           HA       TYR  33  -1.749 -10.011  -2.829
  285   1HB   TYR  33           HB1      TYR  33  -0.017  -7.584  -2.248
  286   2HB   TYR  33           HB2      TYR  33  -1.721  -7.688  -1.790
  287    HD1  TYR  33           HD2      TYR  33  -0.350 -10.972  -1.491
  288    HD2  TYR  33           HD1      TYR  33  -0.417  -7.127   0.456
  289    HE1  TYR  33           HE2      TYR  33   0.272 -12.044   0.651
  290    HE2  TYR  33           HE1      TYR  33   0.194  -8.212   2.600
  291    HH   TYR  33           HH       TYR  33   0.735 -11.738   2.867
  292    H    LYS  34           H        LYS  34  -3.586  -8.989  -3.616
  293    HA   LYS  34           HA       LYS  34  -3.425  -8.078  -6.345
  294   1HB   LYS  34           H        LYS  34  -5.777  -7.911  -4.410
  295   2HB   LYS  34           H        LYS  34  -5.844  -7.893  -6.186
  296   1HG   LYS  34           H        LYS  34  -4.934 -10.225  -4.431
  297   2HG   LYS  34           H        LYS  34  -6.450 -10.118  -5.346
  298   1HD   LYS  34           H        LYS  34  -5.082  -9.913  -7.467
  299   2HD   LYS  34           H        LYS  34  -3.622 -10.210  -6.494
  300   1HE   LYS  34           H        LYS  34  -4.294 -12.321  -7.442
  301   2HE   LYS  34           H        LYS  34  -4.666 -12.370  -5.706
  302   1HZ   LYS  34           H        LYS  34  -6.600 -11.764  -7.837
  303   2HZ   LYS  34           H        LYS  34  -6.450 -13.217  -7.069
  304   3HZ   LYS  34           H        LYS  34  -6.932 -11.886  -6.225
  305    H    PHE  35           H        PHE  35  -3.387  -6.039  -7.159
  306    HA   PHE  35           HA       PHE  35  -4.031  -3.756  -5.421
  307   1HB   PHE  35           HB2      PHE  35  -1.302  -4.619  -6.087
  308   2HB   PHE  35           HB1      PHE  35  -1.633  -2.967  -6.627
  309    HD1  PHE  35           HD1      PHE  35  -3.262  -1.742  -4.635
  310    HD2  PHE  35           HD2      PHE  35  -0.099  -4.613  -4.098
  311    HE1  PHE  35           HE1      PHE  35  -2.905  -0.915  -2.325
  312    HE2  PHE  35           HE2      PHE  35   0.263  -3.771  -1.793
  313    HZ   PHE  35           HZ       PHE  35  -1.148  -1.939  -0.905
  314    H    ASN  36           H        ASN  36  -4.167  -1.748  -6.625
  315    HA   ASN  36           HA       ASN  36  -4.977  -2.233  -9.440
  316   1HB   ASN  36           HB2      ASN  36  -6.472  -1.181  -7.621
  317   2HB   ASN  36           HB1      ASN  36  -5.428   0.242  -7.746
  318   1HD2  ASN  36           HD21     ASN  36  -7.805  -0.822 -10.993
  319   2HD2  ASN  36           HD22     ASN  36  -7.172  -2.059  -9.929
  320    H    ASN  37           H        ASN  37  -4.686   0.810  -9.824
  321    HA   ASN  37           HA       ASN  37  -1.964   0.719 -10.861
  322   1HB   ASN  37           HB2      ASN  37  -4.096   2.898 -10.816
  323   2HB   ASN  37           HB1      ASN  37  -2.552   3.002 -11.689
  324   1HD2  ASN  37           HD22     ASN  37  -3.465   0.640 -14.242
  325   2HD2  ASN  37           HD21     ASN  37  -2.111   1.277 -13.337
  326    H    ARG  38           H        ARG  38  -1.271   0.310  -8.467
  327    HA   ARG  38           HA       ARG  38  -0.861   2.915  -7.069
  328   1HB   ARG  38           H        ARG  38  -0.591   0.057  -6.033
  329   2HB   ARG  38           H        ARG  38  -0.413   1.544  -5.077
  330   1HG   ARG  38           H        ARG  38  -2.963   0.632  -6.499
  331   2HG   ARG  38           H        ARG  38  -2.648   0.536  -4.754
  332   1HD   ARG  38           H        ARG  38  -3.653   2.567  -4.649
  333   2HD   ARG  38           H        ARG  38  -2.110   3.191  -5.254
  334    HE   ARG  38           H        ARG  38  -3.043   3.488  -7.394
  335   1HH1  ARG  38           H        ARG  38  -5.327   1.764  -5.260
  336   2HH1  ARG  38           H        ARG  38  -6.727   2.156  -6.250
  337   1HH2  ARG  38           H        ARG  38  -4.887   3.899  -8.704
  338   2HH2  ARG  38           H        ARG  38  -6.468   3.332  -8.212
  339    H    THR  39           H        THR  39   0.934   3.743  -8.098
  340    HA   THR  39           HA       THR  39   3.132   2.208  -9.035
  341    HB   THR  39           HB       THR  39   3.278   5.097  -8.109
  342    HG1  THR  39           HG1      THR  39   2.368   5.568 -10.176
  343   1HG2  THR  39           HG22     THR  39   4.480   3.526 -10.435
  344   2HG2  THR  39           HG21     THR  39   4.682   5.276 -10.179
  345   3HG2  THR  39           HG23     THR  39   5.349   4.123  -9.002
  346    H    SER  40           H        SER  40   5.308   2.058  -8.178
  347    HA   SER  40           HA       SER  40   5.490   1.155  -5.532
  348   1HB   SER  40           HB1      SER  40   7.634   2.271  -7.384
  349   2HB   SER  40           HB2      SER  40   7.964   1.394  -5.872
  350    HG   SER  40           HG       SER  40   6.438   0.388  -8.049
  351    H    VAL  41           H        VAL  41   6.264   4.409  -6.877
  352    HA   VAL  41           HA       VAL  41   7.237   5.492  -4.429
  353    HB   VAL  41           HB       VAL  41   7.622   6.446  -6.714
  354   1HG1  VAL  41           HG11     VAL  41   5.241   6.155  -7.507
  355   2HG1  VAL  41           HG13     VAL  41   4.774   7.507  -6.451
  356   3HG1  VAL  41           HG12     VAL  41   5.904   7.777  -7.796
  357   1HG2  VAL  41           HG23     VAL  41   7.960   7.780  -4.629
  358   2HG2  VAL  41           HG21     VAL  41   7.479   8.788  -6.014
  359   3HG2  VAL  41           HG22     VAL  41   6.287   8.372  -4.761
  360    H    MET  42           H        MET  42   3.959   5.141  -5.799
  361    HA   MET  42           HA       MET  42   2.661   6.871  -3.914
  362   1HB   MET  42           HB1      MET  42   1.912   5.630  -6.233
  363   2HB   MET  42           HB2      MET  42   1.149   4.557  -5.040
  364   1HG   MET  42           HG2      MET  42  -0.465   6.245  -5.511
  365   2HG   MET  42           HG1      MET  42   0.218   6.652  -3.929
  366   1HE   MET  42           HE3      MET  42  -0.189   7.528  -7.647
  367   2HE   MET  42           HE2      MET  42   0.914   8.899  -7.908
  368   3HE   MET  42           HE1      MET  42   1.571   7.267  -7.660
  369    H    LEU  43           H        LEU  43   3.225   3.317  -4.066
  370    HA   LEU  43           HA       LEU  43   1.894   2.654  -1.640
  371   1HB   LEU  43           HB2      LEU  43   4.226   1.373  -3.130
  372   2HB   LEU  43           HB1      LEU  43   3.425   0.625  -1.731
  373    HG   LEU  43           HG       LEU  43   1.726   1.571  -4.044
  374   1HD1  LEU  43           HD12     LEU  43   3.367  -0.997  -3.953
  375   2HD1  LEU  43           HD11     LEU  43   2.003  -0.718  -5.060
  376   3HD1  LEU  43           HD13     LEU  43   3.460   0.294  -5.175
  377   1HD2  LEU  43           HD21     LEU  43   0.822   0.662  -1.835
  378   2HD2  LEU  43           HD22     LEU  43   0.265  -0.192  -3.292
  379   3HD2  LEU  43           HD23     LEU  43   1.543  -0.902  -2.279
  380    H    LYS  44           H        LYS  44   5.275   3.602  -2.366
  381    HA   LYS  44           HA       LYS  44   6.313   3.280   0.251
  382   1HB   LYS  44           H        LYS  44   7.637   3.566  -1.850
  383   2HB   LYS  44           H        LYS  44   7.137   5.271  -1.901
  384   1HG   LYS  44           H        LYS  44   8.167   5.611   0.354
  385   2HG   LYS  44           H        LYS  44   8.725   3.924   0.333
  386   1HD   LYS  44           H        LYS  44   9.443   5.966  -1.819
  387   2HD   LYS  44           H        LYS  44  10.456   5.648  -0.392
  388   1HE   LYS  44           H        LYS  44  10.511   3.211  -1.055
  389   2HE   LYS  44           H        LYS  44   9.667   3.648  -2.556
  390   1HZ   LYS  44           H        LYS  44  11.494   5.102  -3.078
  391   2HZ   LYS  44           H        LYS  44  12.283   4.667  -1.696
  392   3HZ   LYS  44           H        LYS  44  12.016   3.551  -2.879
  393    H    ASP  45           H        ASP  45   4.796   6.115  -1.382
  394    HA   ASP  45           HA       ASP  45   5.199   7.932   0.779
  395   1HB   ASP  45           H        ASP  45   4.659   8.606  -1.537
  396   2HB   ASP  45           H        ASP  45   3.041   7.890  -1.368
  397    H    ARG  46           H        ARG  46   2.402   5.817  -0.101
  398    HA   ARG  46           HA       ARG  46   0.689   6.669   1.979
  399   1HB   ARG  46           H        ARG  46   0.826   4.475   0.043
  400   2HB   ARG  46           H        ARG  46   0.188   3.915   1.599
  401   1HG   ARG  46           H        ARG  46  -0.865   6.245  -0.068
  402   2HG   ARG  46           H        ARG  46  -1.655   4.677   0.187
  403   1HD   ARG  46           H        ARG  46  -1.403   7.016   2.053
  404   2HD   ARG  46           H        ARG  46  -2.782   5.947   1.765
  405    HE   ARG  46           H        ARG  46  -0.520   5.497   3.622
  406   1HH1  ARG  46           H        ARG  46  -3.275   4.016   1.933
  407   2HH1  ARG  46           H        ARG  46  -3.626   2.892   3.233
  408   1HH2  ARG  46           H        ARG  46  -0.971   3.958   5.277
  409   2HH2  ARG  46           H        ARG  46  -2.311   2.837   5.101
  410    H    TRP  47           H        TRP  47   3.112   4.007   1.878
  411    HA   TRP  47           HA       TRP  47   2.610   3.106   4.542
  412   1HB   TRP  47           HB2      TRP  47   3.735   1.721   2.897
  413   2HB   TRP  47           HB1      TRP  47   5.050   2.896   2.752
  414    HD1  TRP  47           HD1      TRP  47   7.104   2.202   3.993
  415    HE1  TRP  47           HE1      TRP  47   7.729   0.830   6.085
  416    HE3  TRP  47           HE3      TRP  47   2.393   0.958   5.563
  417    HZ2  TRP  47           HZ2      TRP  47   6.360  -0.597   8.144
  418    HZ3  TRP  47           HZ3      TRP  47   2.098  -0.405   7.613
  419    HH2  TRP  47           HH2      TRP  47   4.069  -1.191   8.899
  420    H    ARG  48           H        ARG  48   4.868   5.537   3.161
  421    HA   ARG  48           HA       ARG  48   6.375   6.030   5.508
  422   1HB   ARG  48           H        ARG  48   6.985   6.854   3.259
  423   2HB   ARG  48           H        ARG  48   5.574   7.936   3.267
  424   1HG   ARG  48           H        ARG  48   6.483   9.079   5.293
  425   2HG   ARG  48           H        ARG  48   7.917   8.027   5.222
  426   1HD   ARG  48           H        ARG  48   7.003   9.847   2.954
  427   2HD   ARG  48           H        ARG  48   8.236  10.296   4.155
  428    HE   ARG  48           H        ARG  48   9.080   7.849   3.120
  429   1HH1  ARG  48           H        ARG  48   8.271  11.034   1.796
  430   2HH1  ARG  48           H        ARG  48   9.446  10.947   0.506
  431   1HH2  ARG  48           H        ARG  48  10.648   7.752   1.430
  432   2HH2  ARG  48           H        ARG  48  10.786   9.064   0.284
  433    H    THR  49           H        THR  49   3.346   7.536   4.274
  434    HA   THR  49           HA       THR  49   2.992   9.400   6.371
  435    HB   THR  49           HB       THR  49   0.855   7.898   4.792
  436    HG1  THR  49           HG1      THR  49   2.299   8.869   3.389
  437   1HG2  THR  49           HG21     THR  49   0.881  10.607   6.197
  438   2HG2  THR  49           HG23     THR  49  -0.439  10.002   5.170
  439   3HG2  THR  49           HG22     THR  49  -0.046   9.172   6.694
  440    H    MET  50           H        MET  50   1.919   5.981   6.022
  441    HA   MET  50           HA       MET  50   0.512   5.851   8.498
  442   1HB   MET  50           HB2      MET  50   0.743   4.226   6.345
  443   2HB   MET  50           HB1      MET  50   1.885   3.410   7.437
  444   1HG   MET  50           HG1      MET  50  -0.294   2.442   7.785
  445   2HG   MET  50           HG2      MET  50   0.098   3.424   9.205
  446   1HE   MET  50           HE1      MET  50  -2.787   2.263   8.336
  447   2HE   MET  50           HE3      MET  50  -2.480   3.139   9.855
  448   3HE   MET  50           HE2      MET  50  -3.825   3.632   8.798
  449    H    LYS  51           H        LYS  51   3.941   5.363   7.621
  450    HA   LYS  51           HA       LYS  51   4.807   4.200  10.067
  451   1HB   LYS  51           H        LYS  51   6.034   4.498   7.775
  452   2HB   LYS  51           H        LYS  51   6.483   6.100   8.401
  453   1HG   LYS  51           H        LYS  51   7.175   4.679  10.557
  454   2HG   LYS  51           H        LYS  51   7.297   3.363   9.369
  455   1HD   LYS  51           H        LYS  51   8.747   6.053   9.296
  456   2HD   LYS  51           H        LYS  51   9.477   4.461   9.591
  457   1HE   LYS  51           H        LYS  51   8.149   5.392   7.004
  458   2HE   LYS  51           H        LYS  51   9.886   5.160   7.274
  459   1HZ   LYS  51           H        LYS  51   9.374   2.822   7.725
  460   2HZ   LYS  51           H        LYS  51   7.811   3.087   7.267
  461   3HZ   LYS  51           H        LYS  51   9.037   3.284   6.175
  462    H    LYS  52           H        LYS  52   4.470   7.594   8.959
  463    HA   LYS  52           HA       LYS  52   5.549   8.795  11.325
  464   1HB   LYS  52           H        LYS  52   5.319   9.937   9.127
  465   2HB   LYS  52           H        LYS  52   3.551   9.873   9.294
  466   1HG   LYS  52           H        LYS  52   3.646  11.265  11.310
  467   2HG   LYS  52           H        LYS  52   5.424  11.235  11.279
  468   1HD   LYS  52           H        LYS  52   4.646  13.348  10.334
  469   2HD   LYS  52           H        LYS  52   5.365  12.364   9.037
  470   1HE   LYS  52           H        LYS  52   3.181  11.708   8.222
  471   2HE   LYS  52           H        LYS  52   2.376  12.409   9.642
  472   1HZ   LYS  52           H        LYS  52   3.862  13.912   7.600
  473   2HZ   LYS  52           H        LYS  52   2.220  13.824   7.729
  474   3HZ   LYS  52           H        LYS  52   3.102  14.561   8.912
  475    H    LEU  53           H        LEU  53   2.170   8.113  10.231
  476    HA   LEU  53           HA       LEU  53   1.318   7.720  12.988
  477   1HB   LEU  53           HB2      LEU  53   1.290  10.225  12.747
  478   2HB   LEU  53           HB1      LEU  53   0.172  10.047  11.377
  479    HG   LEU  53           HG       LEU  53  -1.377   8.762  12.975
  480   1HD1  LEU  53           HD12     LEU  53   0.613   9.920  14.978
  481   2HD1  LEU  53           HD11     LEU  53  -1.008   9.330  15.416
  482   3HD1  LEU  53           HD13     LEU  53   0.195   8.206  14.748
  483   1HD2  LEU  53           HD22     LEU  53  -0.714  11.672  13.605
  484   2HD2  LEU  53           HD21     LEU  53  -1.781  11.103  12.297
  485   3HD2  LEU  53           HD23     LEU  53  -2.243  10.849  13.997
   
  No H/Q in entry =         485
  Start of MODEL   12
    1   1H    ARG   1           H2       ARG   1 -12.968   0.114  -6.660
    2   2H    ARG   1           H1       ARG   1 -14.537  -0.070  -6.186
    3   3H    ARG   1           H3       ARG   1 -13.670  -1.377  -6.695
    4    HA   ARG   1           HA       ARG   1 -13.515  -0.518  -8.899
    5   1HB   ARG   1           H        ARG   1 -16.312  -0.641  -7.702
    6   2HB   ARG   1           H        ARG   1 -16.004  -0.538  -9.449
    7   1HG   ARG   1           H        ARG   1 -14.688  -2.696  -7.760
    8   2HG   ARG   1           H        ARG   1 -16.338  -2.898  -8.386
    9   1HD   ARG   1           H        ARG   1 -15.463  -2.415 -10.702
   10   2HD   ARG   1           H        ARG   1 -13.820  -2.380 -10.030
   11    HE   ARG   1           H        ARG   1 -13.824  -4.694  -9.879
   12   1HH1  ARG   1           H        ARG   1 -17.133  -3.526 -10.408
   13   2HH1  ARG   1           H        ARG   1 -17.782  -5.114 -10.745
   14   1HH2  ARG   1           H        ARG   1 -14.695  -6.784 -10.319
   15   2HH2  ARG   1           H        ARG   1 -16.395  -6.972 -10.674
   16    H    LYS   2           H        LYS   2 -12.426   1.584  -8.661
   17    HA   LYS   2           HA       LYS   2 -12.290   3.860  -8.865
   18   1HB   LYS   2           H        LYS   2 -13.460   3.072 -11.012
   19   2HB   LYS   2           H        LYS   2 -14.970   3.672 -10.288
   20   1HG   LYS   2           H        LYS   2 -13.696   5.897  -9.907
   21   2HG   LYS   2           H        LYS   2 -12.468   5.250 -11.013
   22   1HD   LYS   2           H        LYS   2 -15.440   5.498 -11.681
   23   2HD   LYS   2           H        LYS   2 -14.214   6.701 -12.136
   24   1HE   LYS   2           H        LYS   2 -14.166   3.761 -12.962
   25   2HE   LYS   2           H        LYS   2 -14.732   5.096 -13.984
   26   1HZ   LYS   2           H        LYS   2 -12.531   6.061 -13.783
   27   2HZ   LYS   2           H        LYS   2 -12.015   4.750 -12.926
   28   3HZ   LYS   2           H        LYS   2 -12.493   4.572 -14.493
   29    H    ARG   3           H        ARG   3 -12.894   3.483  -6.371
   30    HA   ARG   3           HA       ARG   3 -15.248   5.223  -5.760
   31   1HB   ARG   3           H        ARG   3 -15.086   2.708  -4.963
   32   2HB   ARG   3           H        ARG   3 -13.952   3.361  -3.762
   33   1HG   ARG   3           H        ARG   3 -15.901   5.174  -3.428
   34   2HG   ARG   3           H        ARG   3 -16.908   3.875  -4.104
   35   1HD   ARG   3           H        ARG   3 -15.050   3.616  -1.696
   36   2HD   ARG   3           H        ARG   3 -16.818   3.777  -1.624
   37    HE   ARG   3           H        ARG   3 -16.294   1.581  -3.294
   38   1HH1  ARG   3           H        ARG   3 -15.765   2.539   0.075
   39   2HH1  ARG   3           H        ARG   3 -15.777   0.902   0.687
   40   1HH2  ARG   3           H        ARG   3 -16.317  -0.582  -2.477
   41   2HH2  ARG   3           H        ARG   3 -16.066  -0.879  -0.773
   42    H    GLN   4           H        GLN   4 -13.987   5.209  -2.899
   43    HA   GLN   4           HA       GLN   4 -12.576   7.692  -3.181
   44   1HB   GLN   4           HB1      GLN   4 -12.948   5.732  -0.878
   45   2HB   GLN   4           HB2      GLN   4 -12.085   7.277  -0.708
   46   1HG   GLN   4           HG1      GLN   4 -14.951   7.007  -1.721
   47   2HG   GLN   4           HG2      GLN   4 -14.514   7.394  -0.045
   48   1HE2  GLN   4           HE22     GLN   4 -15.190  10.547  -2.074
   49   2HE2  GLN   4           HE21     GLN   4 -16.081   9.060  -1.843
   50    H    ALA   5           H        ALA   5 -10.345   8.112  -2.606
   51    HA   ALA   5           HA       ALA   5  -8.514   6.356  -3.906
   52   1HB   ALA   5           HB3      ALA   5  -8.175   8.790  -3.710
   53   2HB   ALA   5           HB1      ALA   5  -8.027   8.638  -1.943
   54   3HB   ALA   5           HB2      ALA   5  -6.802   7.903  -3.005
   55    H    TRP   6           H        TRP   6  -7.554   4.559  -3.197
   56    HA   TRP   6           HA       TRP   6  -6.780   2.897  -1.860
   57   1HB   TRP   6           HB2      TRP   6  -6.279   5.308  -0.123
   58   2HB   TRP   6           HB1      TRP   6  -5.922   3.678   0.458
   59    HD1  TRP   6           HD1      TRP   6  -4.937   6.079  -2.363
   60    HE1  TRP   6           HE1      TRP   6  -2.570   5.510  -3.206
   61    HE3  TRP   6           HE3      TRP   6  -4.112   1.848   0.388
   62    HZ2  TRP   6           HZ2      TRP   6  -0.600   3.493  -2.736
   63    HZ3  TRP   6           HZ3      TRP   6  -1.969   0.624   0.156
   64    HH2  TRP   6           HH2      TRP   6  -0.217   1.440  -1.395
   65    H    LEU   7           H        LEU   7  -8.508   1.570  -1.614
   66    HA   LEU   7           HA       LEU   7 -10.693   2.139   0.187
   67   1HB   LEU   7           HB2      LEU   7  -9.722  -0.407  -1.174
   68   2HB   LEU   7           HB1      LEU   7 -11.229  -0.299  -0.242
   69    HG   LEU   7           HG       LEU   7 -10.598   1.528  -2.603
   70   1HD1  LEU   7           HD13     LEU   7 -10.645  -0.842  -3.336
   71   2HD1  LEU   7           HD11     LEU   7 -12.224  -1.053  -2.541
   72   3HD1  LEU   7           HD12     LEU   7 -12.066   0.049  -3.930
   73   1HD2  LEU   7           HD23     LEU   7 -13.069   0.887  -0.947
   74   2HD2  LEU   7           HD21     LEU   7 -12.315   2.475  -1.228
   75   3HD2  LEU   7           HD22     LEU   7 -13.173   1.651  -2.548
   76    H    TRP   8           H        TRP   8 -11.246   0.667   2.046
   77    HA   TRP   8           HA       TRP   8  -9.270   0.792   4.052
   78   1HB   TRP   8           HB1      TRP   8 -10.814  -0.526   5.379
   79   2HB   TRP   8           HB2      TRP   8 -11.716   0.664   4.432
   80    HD1  TRP   8           HD1      TRP   8 -13.322  -0.235   2.552
   81    HE1  TRP   8           HE1      TRP   8 -14.377  -2.528   2.034
   82    HE3  TRP   8           HE3      TRP   8 -10.341  -3.176   5.498
   83    HZ2  TRP   8           HZ2      TRP   8 -13.974  -5.251   2.793
   84    HZ3  TRP   8           HZ3      TRP   8 -10.709  -5.629   5.569
   85    HH2  TRP   8           HH2      TRP   8 -12.519  -6.669   4.224
   86    H    GLU   9           H        GLU   9 -10.256  -1.900   1.904
   87    HA   GLU   9           HA       GLU   9  -8.729  -3.938   3.132
   88   1HB   GLU   9           H        GLU   9  -9.056  -5.130   0.998
   89   2HB   GLU   9           H        GLU   9 -10.555  -4.334   1.525
   90   1HG   GLU   9           H        GLU   9  -9.750  -2.345   0.021
   91   2HG   GLU   9           H        GLU   9  -8.666  -3.542  -0.712
   92    H    GLU  10           H        GLU  10  -7.878  -1.525   0.613
   93    HA   GLU  10           HA       GLU  10  -5.406  -2.671  -0.153
   94   1HB   GLU  10           H        GLU  10  -6.388   0.208  -0.153
   95   2HB   GLU  10           H        GLU  10  -4.882  -0.332  -0.925
   96   1HG   GLU  10           H        GLU  10  -6.245  -2.027  -2.222
   97   2HG   GLU  10           H        GLU  10  -7.709  -1.266  -1.569
   98    H    ASP  11           H        ASP  11  -6.258  -0.466   2.557
   99    HA   ASP  11           HA       ASP  11  -3.599   0.116   3.386
  100   1HB   ASP  11           H        ASP  11  -5.312   1.404   4.384
  101   2HB   ASP  11           H        ASP  11  -6.274  -0.024   4.798
  102    H    LYS  12           H        LYS  12  -5.842  -2.584   4.209
  103    HA   LYS  12           HA       LYS  12  -4.089  -3.826   6.099
  104   1HB   LYS  12           H        LYS  12  -6.084  -5.332   4.377
  105   2HB   LYS  12           H        LYS  12  -5.577  -5.673   6.045
  106   1HG   LYS  12           H        LYS  12  -7.329  -3.381   5.075
  107   2HG   LYS  12           H        LYS  12  -7.801  -4.724   6.124
  108   1HD   LYS  12           H        LYS  12  -6.324  -3.908   7.905
  109   2HD   LYS  12           H        LYS  12  -5.728  -2.606   6.854
  110   1HE   LYS  12           H        LYS  12  -8.166  -1.847   6.636
  111   2HE   LYS  12           H        LYS  12  -8.529  -2.958   7.974
  112   1HZ   LYS  12           H        LYS  12  -6.578  -0.752   8.057
  113   2HZ   LYS  12           H        LYS  12  -8.095  -0.721   8.719
  114   3HZ   LYS  12           H        LYS  12  -6.961  -1.762   9.311
  115    H    ASN  13           H        ASN  13  -4.534  -4.207   2.559
  116    HA   ASN  13           HA       ASN  13  -2.785  -6.430   2.243
  117   1HB   ASN  13           HB2      ASN  13  -3.505  -4.171   0.327
  118   2HB   ASN  13           HB1      ASN  13  -2.688  -5.672  -0.139
  119   1HD2  ASN  13           HD22     ASN  13  -5.793  -7.592   0.899
  120   2HD2  ASN  13           HD21     ASN  13  -4.139  -7.539   1.464
  121    H    LEU  14           H        LEU  14  -2.189  -2.885   2.216
  122    HA   LEU  14           HA       LEU  14   0.558  -3.063   1.427
  123   1HB   LEU  14           HB2      LEU  14  -1.238  -1.047   1.648
  124   2HB   LEU  14           HB1      LEU  14  -0.411  -0.831   3.200
  125    HG   LEU  14           HG       LEU  14   0.677   0.590   1.582
  126   1HD1  LEU  14           HD11     LEU  14   2.147  -0.733   3.156
  127   2HD1  LEU  14           HD13     LEU  14   2.442  -1.871   1.821
  128   3HD1  LEU  14           HD12     LEU  14   2.952  -0.177   1.671
  129   1HD2  LEU  14           HD21     LEU  14  -0.150  -0.670  -0.436
  130   2HD2  LEU  14           HD22     LEU  14   1.549  -0.167  -0.535
  131   3HD2  LEU  14           HD23     LEU  14   1.142  -1.856  -0.170
  132    H    ARG  15           H        ARG  15  -1.012  -2.586   4.624
  133    HA   ARG  15           HA       ARG  15   1.299  -2.587   6.212
  134   1HB   ARG  15           H        ARG  15  -1.257  -2.140   6.692
  135   2HB   ARG  15           H        ARG  15  -1.289  -3.862   7.126
  136   1HG   ARG  15           H        ARG  15   0.357  -3.542   8.857
  137   2HG   ARG  15           H        ARG  15   0.734  -1.902   8.287
  138   1HD   ARG  15           H        ARG  15  -1.928  -2.820   9.451
  139   2HD   ARG  15           H        ARG  15  -0.723  -1.826  10.288
  140    HE   ARG  15           H        ARG  15  -2.574  -0.982   8.143
  141   1HH1  ARG  15           H        ARG  15   0.294  -0.170  10.088
  142   2HH1  ARG  15           H        ARG  15   0.121   1.555   9.844
  143   1HH2  ARG  15           H        ARG  15  -2.663   1.268   7.690
  144   2HH2  ARG  15           H        ARG  15  -1.618   2.376   8.573
  145    H    SER  16           H        SER  16  -0.798  -5.347   5.237
  146    HA   SER  16           HA       SER  16   0.663  -7.342   6.653
  147   1HB   SER  16           HB2      SER  16  -1.656  -7.620   5.845
  148   2HB   SER  16           HB1      SER  16  -1.083  -7.551   4.161
  149    HG   SER  16           HG       SER  16  -0.327  -9.467   6.123
  150    H    GLY  17           H        GLY  17   0.817  -6.235   3.216
  151   1HA   GLY  17           HA1      GLY  17   2.687  -8.120   2.295
  152   2HA   GLY  17           HA2      GLY  17   2.440  -6.497   1.621
  153    H    VAL  18           H        VAL  18   3.279  -4.806   3.609
  154    HA   VAL  18           HA       VAL  18   6.113  -4.950   3.337
  155    HB   VAL  18           HB       VAL  18   4.283  -3.286   5.109
  156   1HG1  VAL  18           HG12     VAL  18   7.301  -3.237   4.731
  157   2HG1  VAL  18           HG11     VAL  18   6.390  -1.814   5.275
  158   3HG1  VAL  18           HG13     VAL  18   6.388  -3.293   6.256
  159   1HG2  VAL  18           HG22     VAL  18   4.181  -2.994   2.604
  160   2HG2  VAL  18           HG21     VAL  18   4.753  -1.544   3.459
  161   3HG2  VAL  18           HG23     VAL  18   5.914  -2.598   2.620
  162    H    ARG  19           H        ARG  19   3.922  -5.710   6.106
  163    HA   ARG  19           HA       ARG  19   6.032  -6.286   7.949
  164   1HB   ARG  19           H        ARG  19   3.107  -7.091   7.773
  165   2HB   ARG  19           H        ARG  19   4.150  -7.593   9.121
  166   1HG   ARG  19           H        ARG  19   3.987  -4.671   8.313
  167   2HG   ARG  19           H        ARG  19   2.738  -5.387   9.356
  168   1HD   ARG  19           H        ARG  19   5.732  -5.483   9.932
  169   2HD   ARG  19           H        ARG  19   4.606  -4.306  10.638
  170    HE   ARG  19           H        ARG  19   3.523  -6.843  11.160
  171   1HH1  ARG  19           H        ARG  19   6.442  -4.996  11.942
  172   2HH1  ARG  19           H        ARG  19   6.716  -5.810  13.464
  173   1HH2  ARG  19           H        ARG  19   3.887  -7.914  13.174
  174   2HH2  ARG  19           H        ARG  19   5.255  -7.471  14.169
  175    H    LYS  20           H        LYS  20   4.335  -8.250   5.501
  176    HA   LYS  20           HA       LYS  20   5.358 -10.773   6.438
  177   1HB   LYS  20           H        LYS  20   3.305 -10.628   5.118
  178   2HB   LYS  20           H        LYS  20   4.184  -9.878   3.769
  179   1HG   LYS  20           H        LYS  20   3.792 -12.284   3.349
  180   2HG   LYS  20           H        LYS  20   5.531 -11.942   3.484
  181   1HD   LYS  20           H        LYS  20   5.612 -12.819   5.735
  182   2HD   LYS  20           H        LYS  20   3.835 -12.902   5.830
  183   1HE   LYS  20           H        LYS  20   3.803 -14.610   4.056
  184   2HE   LYS  20           H        LYS  20   5.569 -14.495   3.889
  185   1HZ   LYS  20           H        LYS  20   4.133 -15.353   6.305
  186   2HZ   LYS  20           H        LYS  20   4.917 -16.345   5.247
  187   3HZ   LYS  20           H        LYS  20   5.771 -15.255   6.142
  188    H    TYR  21           H        TYR  21   6.231  -8.633   3.652
  189    HA   TYR  21           HA       TYR  21   8.700 -10.231   3.279
  190   1HB   TYR  21           HB2      TYR  21   7.410  -8.070   1.574
  191   2HB   TYR  21           HB1      TYR  21   8.849  -9.007   1.139
  192    HD1  TYR  21           HD1      TYR  21   8.447 -11.698   1.445
  193    HD2  TYR  21           HD2      TYR  21   5.403  -8.764   0.619
  194    HE1  TYR  21           HE1      TYR  21   6.992 -13.472   0.495
  195    HE2  TYR  21           HE2      TYR  21   3.959 -10.539  -0.342
  196    HH   TYR  21           HH       TYR  21   4.994 -13.957  -0.518
  197    H    GLY  22           H        GLY  22   8.141  -6.710   2.749
  198   1HA   GLY  22           HA2      GLY  22   9.550  -5.669   4.908
  199   2HA   GLY  22           HA1      GLY  22  10.784  -6.075   3.694
  200    H    GLU  23           H        GLU  23  10.179  -3.417   4.581
  201    HA   GLU  23           HA       GLU  23   8.473  -2.098   2.656
  202   1HB   GLU  23           H        GLU  23   9.049  -1.299   5.004
  203   2HB   GLU  23           H        GLU  23  10.668  -0.889   4.391
  204   1HG   GLU  23           H        GLU  23   9.729   0.670   2.778
  205   2HG   GLU  23           H        GLU  23   8.078   0.145   3.166
  206    H    GLY  24           H        GLY  24   9.127  -0.768   0.888
  207   1HA   GLY  24           HA2      GLY  24  10.715   0.138  -0.622
  208   2HA   GLY  24           HA1      GLY  24  11.958  -0.949   0.026
  209    H    ASN  25           H        ASN  25  10.322  -3.372  -0.053
  210    HA   ASN  25           HA       ASN  25  10.738  -4.027  -2.870
  211   1HB   ASN  25           HB2      ASN  25  11.329  -5.479  -0.854
  212   2HB   ASN  25           HB1      ASN  25   9.589  -5.781  -0.666
  213   1HD2  ASN  25           HD22     ASN  25  11.010  -8.563  -2.707
  214   2HD2  ASN  25           HD21     ASN  25  11.191  -7.947  -1.080
  215    H    TRP  26           H        TRP  26   8.966  -2.218  -3.237
  216    HA   TRP  26           HA       TRP  26   6.216  -2.843  -2.786
  217   1HB   TRP  26           HB2      TRP  26   7.204  -1.240  -5.140
  218   2HB   TRP  26           HB1      TRP  26   5.768  -0.984  -4.140
  219    HD1  TRP  26           HD1      TRP  26   9.016   0.427  -4.744
  220    HE1  TRP  26           HE1      TRP  26   9.847   1.950  -2.845
  221    HE3  TRP  26           HE3      TRP  26   5.715  -0.972  -1.086
  222    HZ2  TRP  26           HZ2      TRP  26   9.177   2.477  -0.127
  223    HZ3  TRP  26           HZ3      TRP  26   5.850   0.079   1.159
  224    HH2  TRP  26           HH2      TRP  26   7.574   1.803   1.636
  225    H    SER  27           H        SER  27   8.525  -3.684  -5.360
  226    HA   SER  27           HA       SER  27   6.703  -4.521  -7.343
  227   1HB   SER  27           HB1      SER  27   8.700  -5.986  -8.048
  228   2HB   SER  27           HB2      SER  27   8.987  -4.233  -7.936
  229    HG   SER  27           HG       SER  27  10.613  -5.491  -6.888
  230    H    LYS  28           H        LYS  28   8.489  -6.586  -4.943
  231    HA   LYS  28           HA       LYS  28   7.169  -8.986  -5.618
  232   1HB   LYS  28           H        LYS  28   9.244  -8.725  -4.215
  233   2HB   LYS  28           H        LYS  28   8.204  -8.200  -2.866
  234   1HG   LYS  28           H        LYS  28   7.017 -10.333  -2.893
  235   2HG   LYS  28           H        LYS  28   7.893 -10.846  -4.354
  236   1HD   LYS  28           H        LYS  28  10.045 -10.651  -3.052
  237   2HD   LYS  28           H        LYS  28   9.077 -10.320  -1.593
  238   1HE   LYS  28           H        LYS  28   7.884 -12.500  -1.952
  239   2HE   LYS  28           H        LYS  28   8.961 -12.831  -3.325
  240   1HZ   LYS  28           H        LYS  28  10.810 -12.726  -1.814
  241   2HZ   LYS  28           H        LYS  28   9.807 -12.428  -0.540
  242   3HZ   LYS  28           H        LYS  28   9.731 -13.874  -1.329
  243    H    ILE  29           H        ILE  29   6.322  -6.506  -3.131
  244    HA   ILE  29           HA       ILE  29   4.123  -7.861  -2.000
  245    HB   ILE  29           HB       ILE  29   4.729  -4.904  -2.396
  246   1HG1  ILE  29           HG11     ILE  29   4.698  -6.582   0.146
  247   2HG1  ILE  29           HG12     ILE  29   6.143  -6.449  -0.879
  248   1HG2  ILE  29           HG21     ILE  29   2.457  -6.241  -0.854
  249   2HG2  ILE  29           HG23     ILE  29   2.935  -4.540  -0.652
  250   3HG2  ILE  29           HG22     ILE  29   2.301  -5.101  -2.212
  251   1HD1  ILE  29           HD13     ILE  29   5.959  -3.926  -0.665
  252   2HD1  ILE  29           HD11     ILE  29   4.681  -4.187   0.544
  253   3HD1  ILE  29           HD12     ILE  29   6.328  -4.775   0.853
  254    H    LEU  30           H        LEU  30   4.181  -5.497  -4.735
  255    HA   LEU  30           HA       LEU  30   1.418  -5.626  -5.334
  256   1HB   LEU  30           HB1      LEU  30   3.036  -3.906  -6.135
  257   2HB   LEU  30           HB2      LEU  30   3.779  -5.118  -7.200
  258    HG   LEU  30           HG       LEU  30   0.818  -4.875  -7.454
  259   1HD1  LEU  30           HD12     LEU  30   2.693  -2.625  -8.310
  260   2HD1  LEU  30           HD11     LEU  30   0.993  -2.788  -8.807
  261   3HD1  LEU  30           HD13     LEU  30   1.397  -2.509  -7.097
  262   1HD2  LEU  30           HD23     LEU  30   2.250  -6.272  -8.952
  263   2HD2  LEU  30           HD21     LEU  30   1.397  -5.000  -9.852
  264   3HD2  LEU  30           HD22     LEU  30   3.123  -4.810  -9.460
  265    H    LEU  31           H        LEU  31   4.144  -7.716  -6.297
  266    HA   LEU  31           HA       LEU  31   2.831  -9.080  -8.422
  267   1HB   LEU  31           HB2      LEU  31   5.352  -8.979  -7.645
  268   2HB   LEU  31           HB1      LEU  31   4.906 -10.383  -6.653
  269    HG   LEU  31           HG       LEU  31   3.887 -11.322  -8.889
  270   1HD1  LEU  31           HD11     LEU  31   5.885  -9.261  -9.933
  271   2HD1  LEU  31           HD13     LEU  31   5.085 -10.516 -10.907
  272   3HD1  LEU  31           HD12     LEU  31   4.123  -9.212 -10.178
  273   1HD2  LEU  31           HD22     LEU  31   6.895 -11.045  -8.463
  274   2HD2  LEU  31           HD21     LEU  31   5.841 -12.282  -7.736
  275   3HD2  LEU  31           HD23     LEU  31   6.109 -12.265  -9.495
  276    H    HIS  32           H        HIS  32   2.383  -9.304  -4.952
  277    HA   HIS  32           HA       HIS  32   0.998 -11.938  -5.305
  278   1HB   HIS  32           HB2      HIS  32   2.176 -10.700  -2.792
  279   2HB   HIS  32           HB1      HIS  32   1.438 -12.307  -2.933
  280    HD1  HIS  32           HD1      HIS  32   2.760 -13.507  -5.380
  281    HD2  HIS  32           HD2      HIS  32   4.867 -11.171  -2.624
  282    HE1  HIS  32           HE1      HIS  32   5.227 -14.093  -5.597
  283    H    TYR  33           H        TYR  33   0.859  -8.866  -3.411
  284    HA   TYR  33           HA       TYR  33  -1.918  -9.313  -2.681
  285   1HB   TYR  33           HB2      TYR  33   0.047  -7.017  -2.359
  286   2HB   TYR  33           HB1      TYR  33  -1.628  -6.918  -1.805
  287    HD1  TYR  33           HD2      TYR  33   1.580  -8.766  -1.346
  288    HD2  TYR  33           HD1      TYR  33  -2.349  -7.961   0.214
  289    HE1  TYR  33           HE2      TYR  33   2.187  -9.893   0.780
  290    HE2  TYR  33           HE1      TYR  33  -1.734  -9.078   2.344
  291    HH   TYR  33           HH       TYR  33   0.004  -9.981   3.590
  292    H    LYS  34           H        LYS  34  -3.066  -6.789  -2.979
  293    HA   LYS  34           HA       LYS  34  -3.910  -6.897  -5.749
  294   1HB   LYS  34           H        LYS  34  -4.615  -4.886  -3.573
  295   2HB   LYS  34           H        LYS  34  -5.525  -5.218  -5.069
  296   1HG   LYS  34           H        LYS  34  -5.705  -7.651  -4.235
  297   2HG   LYS  34           H        LYS  34  -5.138  -7.039  -2.662
  298   1HD   LYS  34           H        LYS  34  -7.025  -5.358  -2.710
  299   2HD   LYS  34           H        LYS  34  -7.629  -6.157  -4.183
  300   1HE   LYS  34           H        LYS  34  -7.621  -8.340  -2.836
  301   2HE   LYS  34           H        LYS  34  -7.347  -7.341  -1.392
  302   1HZ   LYS  34           H        LYS  34  -9.378  -6.143  -1.968
  303   2HZ   LYS  34           H        LYS  34  -9.642  -7.189  -3.218
  304   3HZ   LYS  34           H        LYS  34  -9.647  -7.746  -1.668
  305    H    PHE  35           H        PHE  35  -4.242  -3.775  -5.318
  306    HA   PHE  35           HA       PHE  35  -3.203  -1.850  -5.965
  307   1HB   PHE  35           HB2      PHE  35  -0.547  -3.315  -5.890
  308   2HB   PHE  35           HB1      PHE  35  -0.840  -1.578  -5.789
  309    HD1  PHE  35           HD1      PHE  35  -2.748  -1.065  -3.815
  310    HD2  PHE  35           HD2      PHE  35   0.152  -4.254  -3.866
  311    HE1  PHE  35           HE1      PHE  35  -2.874  -1.229  -1.346
  312    HE2  PHE  35           HE2      PHE  35   0.017  -4.410  -1.394
  313    HZ   PHE  35           HZ       PHE  35  -1.497  -2.894  -0.147
  314    H    ASN  36           H        ASN  36  -4.242  -1.895  -7.933
  315    HA   ASN  36           HA       ASN  36  -2.829  -3.169 -10.216
  316   1HB   ASN  36           HB2      ASN  36  -5.634  -2.057  -9.824
  317   2HB   ASN  36           HB1      ASN  36  -4.992  -2.531 -11.412
  318   1HD2  ASN  36           HD21     ASN  36  -5.852  -5.422  -8.557
  319   2HD2  ASN  36           HD22     ASN  36  -5.613  -3.755  -8.086
  320    H    ASN  37           H        ASN  37  -4.588  -0.082  -9.513
  321    HA   ASN  37           HA       ASN  37  -2.897   1.293 -11.505
  322   1HB   ASN  37           HB2      ASN  37  -5.414   1.558 -11.386
  323   2HB   ASN  37           HB1      ASN  37  -5.195   2.370  -9.822
  324   1HD2  ASN  37           HD21     ASN  37  -5.167   5.373 -11.719
  325   2HD2  ASN  37           HD22     ASN  37  -6.067   4.350 -10.622
  326    H    ARG  38           H        ARG  38  -1.583   0.316  -9.114
  327    HA   ARG  38           HA       ARG  38  -0.557   2.893  -8.088
  328   1HB   ARG  38           H        ARG  38  -1.259   0.553  -6.270
  329   2HB   ARG  38           H        ARG  38  -0.597   2.127  -5.785
  330   1HG   ARG  38           H        ARG  38  -2.715   3.158  -6.840
  331   2HG   ARG  38           H        ARG  38  -3.366   1.500  -6.866
  332   1HD   ARG  38           H        ARG  38  -2.491   1.535  -4.327
  333   2HD   ARG  38           H        ARG  38  -2.731   3.281  -4.532
  334    HE   ARG  38           H        ARG  38  -4.775   1.232  -4.275
  335   1HH1  ARG  38           H        ARG  38  -4.055   4.368  -5.765
  336   2HH1  ARG  38           H        ARG  38  -5.716   4.907  -5.746
  337   1HH2  ARG  38           H        ARG  38  -6.952   1.973  -4.190
  338   2HH2  ARG  38           H        ARG  38  -7.389   3.463  -5.008
  339    H    THR  39           H        THR  39   1.659   2.877  -8.093
  340    HA   THR  39           HA       THR  39   3.047   0.265  -7.969
  341    HB   THR  39           HB       THR  39   3.546   2.277 -10.205
  342    HG1  THR  39           HG1      THR  39   2.489   0.723 -11.497
  343   1HG2  THR  39           HG21     THR  39   4.495  -0.577  -9.672
  344   2HG2  THR  39           HG23     THR  39   4.795   0.324 -11.177
  345   3HG2  THR  39           HG22     THR  39   5.492   0.897  -9.646
  346    H    SER  40           H        SER  40   5.061   0.352  -7.132
  347    HA   SER  40           HA       SER  40   6.580   1.164  -5.594
  348   1HB   SER  40           HB2      SER  40   8.235   2.624  -6.811
  349   2HB   SER  40           HB1      SER  40   7.743   1.161  -7.695
  350    HG   SER  40           HG       SER  40   7.674   2.977  -9.048
  351    H    VAL  41           H        VAL  41   6.487   4.331  -7.148
  352    HA   VAL  41           HA       VAL  41   6.792   5.787  -4.821
  353    HB   VAL  41           HB       VAL  41   5.983   7.746  -6.143
  354   1HG1  VAL  41           HG12     VAL  41   8.301   6.826  -6.362
  355   2HG1  VAL  41           HG11     VAL  41   7.747   5.823  -7.725
  356   3HG1  VAL  41           HG13     VAL  41   7.721   7.597  -7.857
  357   1HG2  VAL  41           HG21     VAL  41   5.253   5.597  -8.187
  358   2HG2  VAL  41           HG22     VAL  41   4.142   6.733  -7.389
  359   3HG2  VAL  41           HG23     VAL  41   5.353   7.336  -8.538
  360    H    MET  42           H        MET  42   3.666   4.784  -6.308
  361    HA   MET  42           HA       MET  42   2.048   6.406  -4.589
  362   1HB   MET  42           HB1      MET  42   1.444   3.834  -6.107
  363   2HB   MET  42           HB2      MET  42   0.220   4.846  -5.302
  364   1HG   MET  42           HG2      MET  42   1.221   6.801  -6.683
  365   2HG   MET  42           HG1      MET  42   1.997   5.543  -7.658
  366   1HE   MET  42           HE1      MET  42   0.130   7.789  -8.847
  367   2HE   MET  42           HE3      MET  42   0.899   6.514  -9.823
  368   3HE   MET  42           HE2      MET  42  -0.842   6.841  -9.998
  369    H    LEU  43           H        LEU  43   3.113   2.967  -4.385
  370    HA   LEU  43           HA       LEU  43   1.723   2.388  -1.963
  371   1HB   LEU  43           HB2      LEU  43   4.096   1.175  -3.411
  372   2HB   LEU  43           HB1      LEU  43   3.612   0.584  -1.808
  373    HG   LEU  43           HG       LEU  43   1.214   0.395  -2.820
  374   1HD1  LEU  43           HD13     LEU  43   2.928   0.599  -5.330
  375   2HD1  LEU  43           HD11     LEU  43   1.293  -0.100  -5.303
  376   3HD1  LEU  43           HD12     LEU  43   1.534   1.610  -4.892
  377   1HD2  LEU  43           HD23     LEU  43   2.660  -1.530  -2.222
  378   2HD2  LEU  43           HD21     LEU  43   1.726  -1.853  -3.700
  379   3HD2  LEU  43           HD22     LEU  43   3.449  -1.425  -3.813
  380    H    LYS  44           H        LYS  44   5.050   3.534  -2.642
  381    HA   LYS  44           HA       LYS  44   6.013   3.489   0.019
  382   1HB   LYS  44           H        LYS  44   7.402   3.712  -2.030
  383   2HB   LYS  44           H        LYS  44   6.731   5.331  -2.302
  384   1HG   LYS  44           H        LYS  44   7.803   4.969   0.429
  385   2HG   LYS  44           H        LYS  44   9.031   4.743  -0.833
  386   1HD   LYS  44           H        LYS  44   7.146   7.137  -0.813
  387   2HD   LYS  44           H        LYS  44   8.702   7.149   0.043
  388   1HE   LYS  44           H        LYS  44   8.438   6.477  -2.920
  389   2HE   LYS  44           H        LYS  44   8.734   8.121  -2.318
  390   1HZ   LYS  44           H        LYS  44  10.722   7.302  -1.266
  391   2HZ   LYS  44           H        LYS  44  10.454   5.785  -1.855
  392   3HZ   LYS  44           H        LYS  44  10.761   7.030  -2.892
  393    H    ASP  45           H        ASP  45   4.566   6.181  -1.889
  394    HA   ASP  45           HA       ASP  45   4.806   8.158   0.112
  395   1HB   ASP  45           H        ASP  45   4.378   8.598  -2.277
  396   2HB   ASP  45           H        ASP  45   2.761   7.879  -2.126
  397    H    ARG  46           H        ARG  46   2.190   5.750  -0.493
  398    HA   ARG  46           HA       ARG  46   0.462   7.021   1.481
  399   1HB   ARG  46           H        ARG  46  -0.103   5.536  -0.667
  400   2HB   ARG  46           H        ARG  46   0.022   4.216   0.513
  401   1HG   ARG  46           H        ARG  46  -2.206   4.749   0.813
  402   2HG   ARG  46           H        ARG  46  -1.500   5.887   1.974
  403   1HD   ARG  46           H        ARG  46  -2.013   6.642  -0.927
  404   2HD   ARG  46           H        ARG  46  -3.249   6.820   0.325
  405    HE   ARG  46           H        ARG  46  -1.958   8.506   1.390
  406   1HH1  ARG  46           H        ARG  46  -0.424   7.323  -1.603
  407   2HH1  ARG  46           H        ARG  46   0.639   8.709  -1.743
  408   1HH2  ARG  46           H        ARG  46  -0.556  10.321   1.139
  409   2HH2  ARG  46           H        ARG  46   0.609  10.359  -0.174
  410    H    TRP  47           H        TRP  47   2.601   4.152   1.334
  411    HA   TRP  47           HA       TRP  47   1.890   3.001   3.789
  412   1HB   TRP  47           HB1      TRP  47   3.307   1.901   2.158
  413   2HB   TRP  47           HB2      TRP  47   4.564   3.125   2.374
  414    HD1  TRP  47           HD1      TRP  47   6.473   1.981   3.507
  415    HE1  TRP  47           HE1      TRP  47   6.875   0.474   5.552
  416    HE3  TRP  47           HE3      TRP  47   1.605   1.203   4.887
  417    HZ2  TRP  47           HZ2      TRP  47   5.293  -0.871   7.508
  418    HZ3  TRP  47           HZ3      TRP  47   1.097  -0.184   6.868
  419    HH2  TRP  47           HH2      TRP  47   2.930  -1.228   8.182
  420    H    ARG  48           H        ARG  48   4.174   5.654   3.046
  421    HA   ARG  48           HA       ARG  48   5.411   5.953   5.533
  422   1HB   ARG  48           H        ARG  48   6.000   7.195   3.476
  423   2HB   ARG  48           H        ARG  48   4.485   8.120   3.597
  424   1HG   ARG  48           H        ARG  48   5.182   9.126   5.690
  425   2HG   ARG  48           H        ARG  48   6.596   8.051   5.798
  426   1HD   ARG  48           H        ARG  48   6.137  10.028   3.524
  427   2HD   ARG  48           H        ARG  48   7.098  10.405   4.967
  428    HE   ARG  48           H        ARG  48   7.878   8.736   2.706
  429   1HH1  ARG  48           H        ARG  48   8.398   9.401   6.152
  430   2HH1  ARG  48           H        ARG  48  10.021   8.755   6.169
  431   1HH2  ARG  48           H        ARG  48  10.006   7.844   2.754
  432   2HH2  ARG  48           H        ARG  48  10.933   7.857   4.235
  433    H    THR  49           H        THR  49   2.211   7.171   4.432
  434    HA   THR  49           HA       THR  49   1.691   8.545   6.941
  435    HB   THR  49           HB       THR  49  -0.238   7.772   4.711
  436    HG1  THR  49           HG1      THR  49   0.286   9.902   3.970
  437   1HG2  THR  49           HG21     THR  49  -0.257   9.968   6.833
  438   2HG2  THR  49           HG22     THR  49  -1.457   9.789   5.532
  439   3HG2  THR  49           HG23     THR  49  -1.319   8.539   6.791
  440    H    MET  50           H        MET  50   0.579   5.492   5.368
  441    HA   MET  50           HA       MET  50  -1.327   4.697   7.262
  442   1HB   MET  50           HB2      MET  50   0.349   3.401   5.189
  443   2HB   MET  50           HB1      MET  50  -0.207   2.311   6.473
  444   1HG   MET  50           HG2      MET  50  -1.838   2.355   4.659
  445   2HG   MET  50           HG1      MET  50  -2.529   3.084   6.116
  446   1HE   MET  50           HE2      MET  50  -4.495   3.973   4.624
  447   2HE   MET  50           HE3      MET  50  -4.277   4.998   3.186
  448   3HE   MET  50           HE1      MET  50  -3.742   3.301   3.158
  449    H    LYS  51           H        LYS  51   2.247   4.407   7.405
  450    HA   LYS  51           HA       LYS  51   2.376   2.638   9.629
  451   1HB   LYS  51           H        LYS  51   4.208   4.735   8.449
  452   2HB   LYS  51           H        LYS  51   4.622   3.962   9.998
  453   1HG   LYS  51           H        LYS  51   4.302   1.718   8.894
  454   2HG   LYS  51           H        LYS  51   4.089   2.559   7.345
  455   1HD   LYS  51           H        LYS  51   6.545   2.977   9.096
  456   2HD   LYS  51           H        LYS  51   6.455   1.676   7.887
  457   1HE   LYS  51           H        LYS  51   5.839   3.476   6.177
  458   2HE   LYS  51           H        LYS  51   6.285   4.677   7.408
  459   1HZ   LYS  51           H        LYS  51   8.068   2.549   6.431
  460   2HZ   LYS  51           H        LYS  51   8.080   4.106   5.881
  461   3HZ   LYS  51           H        LYS  51   8.464   3.786   7.451
  462    H    LYS  52           H        LYS  52   1.878   6.164   9.393
  463    HA   LYS  52           HA       LYS  52   1.728   6.337  12.366
  464   1HB   LYS  52           H        LYS  52   1.916   8.475  10.199
  465   2HB   LYS  52           H        LYS  52   1.806   8.790  11.947
  466   1HG   LYS  52           H        LYS  52   3.919   7.670  12.357
  467   2HG   LYS  52           H        LYS  52   3.997   7.095  10.676
  468   1HD   LYS  52           H        LYS  52   5.471   9.042  10.983
  469   2HD   LYS  52           H        LYS  52   4.142   9.441   9.873
  470   1HE   LYS  52           H        LYS  52   3.717   9.975  12.804
  471   2HE   LYS  52           H        LYS  52   4.841  11.038  11.934
  472   1HZ   LYS  52           H        LYS  52   2.064  10.503  11.135
  473   2HZ   LYS  52           H        LYS  52   2.595  11.863  11.900
  474   3HZ   LYS  52           H        LYS  52   3.114  11.519  10.374
  475    H    LEU  53           H        LEU  53  -0.321   5.029  10.658
  476    HA   LEU  53           HA       LEU  53  -2.535   5.216   9.986
  477   1HB   LEU  53           HB2      LEU  53  -3.986   5.241  11.971
  478   2HB   LEU  53           HB1      LEU  53  -2.533   4.260  12.237
  479    HG   LEU  53           HG       LEU  53  -2.280   7.119  13.052
  480   1HD1  LEU  53           HD12     LEU  53  -4.115   5.185  14.522
  481   2HD1  LEU  53           HD11     LEU  53  -3.548   6.748  15.156
  482   3HD1  LEU  53           HD13     LEU  53  -4.605   6.700  13.725
  483   1HD2  LEU  53           HD23     LEU  53  -0.555   5.335  13.463
  484   2HD2  LEU  53           HD21     LEU  53  -1.136   6.095  14.961
  485   3HD2  LEU  53           HD22     LEU  53  -1.731   4.485  14.489
   
  No H/Q in entry =         485
  Start of MODEL   13
    1   1H    ARG   1           H3       ARG   1 -18.297   3.885  -3.709
    2   2H    ARG   1           H1       ARG   1 -17.661   2.851  -4.826
    3   3H    ARG   1           H2       ARG   1 -19.159   2.567  -4.198
    4    HA   ARG   1           HA       ARG   1 -18.266   2.195  -2.034
    5   1HB   ARG   1           H        ARG   1 -18.510   0.332  -3.731
    6   2HB   ARG   1           H        ARG   1 -16.785   0.529  -4.112
    7   1HG   ARG   1           H        ARG   1 -16.151  -0.044  -1.840
    8   2HG   ARG   1           H        ARG   1 -17.845   0.012  -1.298
    9   1HD   ARG   1           H        ARG   1 -18.376  -1.861  -2.864
   10   2HD   ARG   1           H        ARG   1 -16.660  -1.956  -3.305
   11    HE   ARG   1           H        ARG   1 -17.920  -2.826  -0.783
   12   1HH1  ARG   1           H        ARG   1 -14.878  -1.980  -2.407
   13   2HH1  ARG   1           H        ARG   1 -13.907  -3.068  -1.429
   14   1HH2  ARG   1           H        ARG   1 -16.607  -4.231   0.502
   15   2HH2  ARG   1           H        ARG   1 -14.876  -4.320   0.215
   16    H    LYS   2           H        LYS   2 -17.097   4.085  -1.364
   17    HA   LYS   2           HA       LYS   2 -15.269   5.316  -0.800
   18   1HB   LYS   2           H        LYS   2 -14.362   2.458  -0.608
   19   2HB   LYS   2           H        LYS   2 -13.130   3.730  -0.459
   20   1HG   LYS   2           H        LYS   2 -15.705   3.950   1.106
   21   2HG   LYS   2           H        LYS   2 -14.384   2.918   1.701
   22   1HD   LYS   2           H        LYS   2 -13.860   5.787   0.835
   23   2HD   LYS   2           H        LYS   2 -14.430   5.414   2.480
   24   1HE   LYS   2           H        LYS   2 -12.445   4.410   3.093
   25   2HE   LYS   2           H        LYS   2 -12.138   3.771   1.468
   26   1HZ   LYS   2           H        LYS   2 -11.828   6.588   2.238
   27   2HZ   LYS   2           H        LYS   2 -10.600   5.498   2.116
   28   3HZ   LYS   2           H        LYS   2 -11.450   5.926   0.770
   29    H    ARG   3           H        ARG   3 -12.841   3.296  -2.262
   30    HA   ARG   3           HA       ARG   3 -11.496   3.529  -4.077
   31   1HB   ARG   3           H        ARG   3 -12.557   3.789  -6.030
   32   2HB   ARG   3           H        ARG   3 -14.020   4.185  -5.118
   33   1HG   ARG   3           H        ARG   3 -13.740   5.960  -6.676
   34   2HG   ARG   3           H        ARG   3 -13.198   6.631  -5.132
   35   1HD   ARG   3           H        ARG   3 -11.107   6.989  -5.948
   36   2HD   ARG   3           H        ARG   3 -10.987   5.312  -6.519
   37    HE   ARG   3           H        ARG   3 -11.461   6.037  -8.654
   38   1HH1  ARG   3           H        ARG   3 -12.591   8.458  -6.327
   39   2HH1  ARG   3           H        ARG   3 -12.995   9.643  -7.547
   40   1HH2  ARG   3           H        ARG   3 -12.015   7.599 -10.262
   41   2HH2  ARG   3           H        ARG   3 -12.687   9.143  -9.793
   42    H    GLN   4           H        GLN   4 -12.918   6.593  -2.842
   43    HA   GLN   4           HA       GLN   4 -10.662   8.218  -3.563
   44   1HB   GLN   4           HB2      GLN   4 -12.858   8.577  -1.475
   45   2HB   GLN   4           HB1      GLN   4 -11.707   9.840  -1.975
   46   1HG   GLN   4           HG2      GLN   4 -12.514   9.553  -4.345
   47   2HG   GLN   4           HG1      GLN   4 -13.752   8.429  -3.745
   48   1HE2  GLN   4           HE21     GLN   4 -15.588  11.023  -1.952
   49   2HE2  GLN   4           HE22     GLN   4 -15.017   9.383  -1.739
   50    H    ALA   5           H        ALA   5  -8.720   8.347  -2.620
   51    HA   ALA   5           HA       ALA   5  -6.989   7.961  -1.186
   52   1HB   ALA   5           HB1      ALA   5  -8.278   9.674   0.097
   53   2HB   ALA   5           HB2      ALA   5  -9.115   8.364   0.961
   54   3HB   ALA   5           HB3      ALA   5  -7.358   8.570   1.146
   55    H    TRP   6           H        TRP   6  -7.783   5.642  -2.249
   56    HA   TRP   6           HA       TRP   6  -7.718   3.370  -1.994
   57   1HB   TRP   6           HB2      TRP   6  -6.387   4.234   0.600
   58   2HB   TRP   6           HB1      TRP   6  -6.536   2.547   0.123
   59    HD1  TRP   6           HD1      TRP   6  -5.331   5.630  -1.889
   60    HE1  TRP   6           HE1      TRP   6  -3.033   5.107  -2.930
   61    HE3  TRP   6           HE3      TRP   6  -4.648   0.924   0.000
   62    HZ2  TRP   6           HZ2      TRP   6  -1.164   2.947  -2.922
   63    HZ3  TRP   6           HZ3      TRP   6  -2.588  -0.338  -0.548
   64    HH2  TRP   6           HH2      TRP   6  -0.847   0.664  -1.999
   65    H    LEU   7           H        LEU   7  -8.178   1.555  -0.069
   66    HA   LEU   7           HA       LEU   7 -10.500   2.354   1.537
   67   1HB   LEU   7           HB2      LEU   7 -11.813   0.372   0.668
   68   2HB   LEU   7           HB1      LEU   7 -11.663   1.732  -0.463
   69    HG   LEU   7           HG       LEU   7  -9.494  -0.292  -0.685
   70   1HD1  LEU   7           HD12     LEU   7 -11.456  -1.742  -0.173
   71   2HD1  LEU   7           HD13     LEU   7 -12.355  -0.967  -1.497
   72   3HD1  LEU   7           HD11     LEU   7 -10.906  -1.936  -1.855
   73   1HD2  LEU   7           HD21     LEU   7 -11.421   0.991  -2.678
   74   2HD2  LEU   7           HD23     LEU   7  -9.803   1.604  -2.269
   75   3HD2  LEU   7           HD22     LEU   7  -9.977   0.041  -3.095
   76    H    TRP   8           H        TRP   8 -11.059   0.724   3.129
   77    HA   TRP   8           HA       TRP   8  -8.941  -0.063   4.661
   78   1HB   TRP   8           HB1      TRP   8 -10.502  -1.535   5.836
   79   2HB   TRP   8           HB2      TRP   8 -11.233   0.025   5.444
   80    HD1  TRP   8           HD1      TRP   8 -13.030   0.017   3.406
   81    HE1  TRP   8           HE1      TRP   8 -14.718  -1.769   2.635
   82    HE3  TRP   8           HE3      TRP   8 -10.911  -4.090   5.608
   83    HZ2  TRP   8           HZ2      TRP   8 -15.091  -4.584   2.942
   84    HZ3  TRP   8           HZ3      TRP   8 -11.971  -6.317   5.343
   85    HH2  TRP   8           HH2      TRP   8 -14.055  -6.571   4.016
   86    H    GLU   9           H        GLU   9 -10.503  -2.114   2.126
   87    HA   GLU   9           HA       GLU   9  -9.159  -4.516   2.763
   88   1HB   GLU   9           H        GLU   9 -10.058  -3.492   0.037
   89   2HB   GLU   9           H        GLU   9  -9.673  -5.180   0.441
   90   1HG   GLU   9           H        GLU   9 -11.457  -5.107   2.208
   91   2HG   GLU   9           H        GLU   9 -11.897  -3.483   1.642
   92    H    GLU  10           H        GLU  10  -8.196  -1.839   0.556
   93    HA   GLU  10           HA       GLU  10  -5.760  -3.168  -0.258
   94   1HB   GLU  10           H        GLU  10  -6.683  -0.273  -0.466
   95   2HB   GLU  10           H        GLU  10  -5.248  -0.950  -1.270
   96   1HG   GLU  10           H        GLU  10  -6.700  -2.606  -2.434
   97   2HG   GLU  10           H        GLU  10  -8.127  -1.867  -1.678
   98    H    ASP  11           H        ASP  11  -6.634  -0.668   2.160
   99    HA   ASP  11           HA       ASP  11  -3.988   0.063   2.872
  100   1HB   ASP  11           H        ASP  11  -6.567   0.066   4.488
  101   2HB   ASP  11           H        ASP  11  -5.066   0.881   4.974
  102    H    LYS  12           H        LYS  12  -6.219  -2.352   4.445
  103    HA   LYS  12           HA       LYS  12  -4.247  -3.156   6.358
  104   1HB   LYS  12           H        LYS  12  -5.745  -5.034   6.838
  105   2HB   LYS  12           H        LYS  12  -6.656  -3.518   6.696
  106   1HG   LYS  12           H        LYS  12  -8.007  -4.699   5.307
  107   2HG   LYS  12           H        LYS  12  -6.733  -4.438   4.102
  108   1HD   LYS  12           H        LYS  12  -5.706  -6.590   4.647
  109   2HD   LYS  12           H        LYS  12  -6.858  -6.834   5.981
  110   1HE   LYS  12           H        LYS  12  -8.712  -7.031   4.471
  111   2HE   LYS  12           H        LYS  12  -7.749  -6.439   3.101
  112   1HZ   LYS  12           H        LYS  12  -7.235  -8.947   4.536
  113   2HZ   LYS  12           H        LYS  12  -8.045  -8.828   3.103
  114   3HZ   LYS  12           H        LYS  12  -6.450  -8.400   3.187
  115    H    ASN  13           H        ASN  13  -4.940  -4.194   3.013
  116    HA   ASN  13           HA       ASN  13  -3.339  -6.576   3.070
  117   1HB   ASN  13           HB2      ASN  13  -4.352  -4.698   0.926
  118   2HB   ASN  13           HB1      ASN  13  -3.165  -5.945   0.512
  119   1HD2  ASN  13           HD21     ASN  13  -6.519  -7.404  -0.125
  120   2HD2  ASN  13           HD22     ASN  13  -5.561  -6.080  -0.750
  121    H    LEU  14           H        LEU  14  -2.652  -3.155   2.214
  122    HA   LEU  14           HA       LEU  14   0.070  -3.522   1.499
  123   1HB   LEU  14           HB2      LEU  14  -1.431  -1.501   1.087
  124   2HB   LEU  14           HB1      LEU  14  -1.188  -1.067   2.791
  125    HG   LEU  14           HG       LEU  14   1.348  -1.195   2.289
  126   1HD1  LEU  14           HD12     LEU  14   0.183  -1.196  -0.530
  127   2HD1  LEU  14           HD13     LEU  14   1.851  -0.702  -0.160
  128   3HD1  LEU  14           HD11     LEU  14   1.325  -2.368   0.168
  129   1HD2  LEU  14           HD22     LEU  14  -0.396   0.906   0.934
  130   2HD2  LEU  14           HD21     LEU  14   0.153   0.925   2.627
  131   3HD2  LEU  14           HD23     LEU  14   1.333   1.098   1.307
  132    H    ARG  15           H        ARG  15  -1.482  -2.626   4.628
  133    HA   ARG  15           HA       ARG  15   0.891  -2.359   6.137
  134   1HB   ARG  15           H        ARG  15  -1.423  -1.685   6.836
  135   2HB   ARG  15           H        ARG  15  -1.819  -3.403   7.067
  136   1HG   ARG  15           H        ARG  15  -0.129  -3.629   8.797
  137   2HG   ARG  15           H        ARG  15   0.496  -1.998   8.464
  138   1HD   ARG  15           H        ARG  15  -1.798  -1.093   9.076
  139   2HD   ARG  15           H        ARG  15  -2.236  -2.733   9.592
  140    HE   ARG  15           H        ARG  15  -0.959  -2.471  11.511
  141   1HH1  ARG  15           H        ARG  15  -0.128   0.059   9.168
  142   2HH1  ARG  15           H        ARG  15   0.806   0.998  10.308
  143   1HH2  ARG  15           H        ARG  15   0.281  -1.229  13.007
  144   2HH2  ARG  15           H        ARG  15   1.055   0.253  12.493
  145    H    SER  16           H        SER  16  -1.125  -5.239   5.394
  146    HA   SER  16           HA       SER  16   0.651  -6.995   6.940
  147   1HB   SER  16           HB2      SER  16  -1.683  -7.674   5.104
  148   2HB   SER  16           HB1      SER  16  -0.940  -8.727   6.332
  149    HG   SER  16           HG       SER  16  -2.403  -6.327   6.726
  150    H    GLY  17           H        GLY  17   1.381  -5.445   4.249
  151   1HA   GLY  17           HA1      GLY  17   2.470  -7.847   2.833
  152   2HA   GLY  17           HA2      GLY  17   1.964  -6.355   2.016
  153    H    VAL  18           H        VAL  18   3.016  -4.324   3.383
  154    HA   VAL  18           HA       VAL  18   5.759  -4.359   2.667
  155    HB   VAL  18           HB       VAL  18   4.226  -2.509   4.547
  156   1HG1  VAL  18           HG13     VAL  18   6.963  -2.364   3.231
  157   2HG1  VAL  18           HG12     VAL  18   6.095  -0.913   3.773
  158   3HG1  VAL  18           HG11     VAL  18   6.557  -2.159   4.952
  159   1HG2  VAL  18           HG23     VAL  18   3.300  -2.647   2.236
  160   2HG2  VAL  18           HG21     VAL  18   4.054  -1.068   2.548
  161   3HG2  VAL  18           HG22     VAL  18   4.913  -2.291   1.583
  162    H    ARG  19           H        ARG  19   4.147  -4.610   5.886
  163    HA   ARG  19           HA       ARG  19   6.633  -4.858   7.311
  164   1HB   ARG  19           H        ARG  19   3.951  -4.445   7.958
  165   2HB   ARG  19           H        ARG  19   4.266  -6.076   8.585
  166   1HG   ARG  19           H        ARG  19   5.968  -3.599   9.159
  167   2HG   ARG  19           H        ARG  19   4.756  -4.283  10.265
  168   1HD   ARG  19           H        ARG  19   7.294  -5.651   9.277
  169   2HD   ARG  19           H        ARG  19   6.980  -5.054  10.918
  170    HE   ARG  19           H        ARG  19   4.912  -6.809  10.502
  171   1HH1  ARG  19           H        ARG  19   8.445  -7.014  10.304
  172   2HH1  ARG  19           H        ARG  19   8.498  -8.731  10.618
  173   1HH2  ARG  19           H        ARG  19   4.992  -9.082  10.893
  174   2HH2  ARG  19           H        ARG  19   6.530  -9.911  10.951
  175    H    LYS  20           H        LYS  20   4.407  -7.145   5.729
  176    HA   LYS  20           HA       LYS  20   5.412  -9.533   6.932
  177   1HB   LYS  20           H        LYS  20   3.259  -9.370   5.723
  178   2HB   LYS  20           H        LYS  20   4.129  -9.089   4.202
  179   1HG   LYS  20           H        LYS  20   5.307 -11.315   4.570
  180   2HG   LYS  20           H        LYS  20   4.204 -11.602   5.934
  181   1HD   LYS  20           H        LYS  20   2.930 -10.783   3.345
  182   2HD   LYS  20           H        LYS  20   3.685 -12.392   3.373
  183   1HE   LYS  20           H        LYS  20   1.332 -12.571   4.024
  184   2HE   LYS  20           H        LYS  20   2.373 -12.969   5.406
  185   1HZ   LYS  20           H        LYS  20   1.161 -10.327   4.956
  186   2HZ   LYS  20           H        LYS  20   0.514 -11.497   5.928
  187   3HZ   LYS  20           H        LYS  20   1.977 -10.838   6.299
  188    H    TYR  21           H        TYR  21   6.028  -8.224   3.601
  189    HA   TYR  21           HA       TYR  21   8.344  -9.961   3.292
  190   1HB   TYR  21           HB2      TYR  21   7.207  -7.687   1.621
  191   2HB   TYR  21           HB1      TYR  21   8.599  -8.671   1.143
  192    HD1  TYR  21           HD1      TYR  21   8.249 -11.238   0.972
  193    HD2  TYR  21           HD2      TYR  21   5.015  -8.398   1.098
  194    HE1  TYR  21           HE1      TYR  21   6.723 -12.924  -0.035
  195    HE2  TYR  21           HE2      TYR  21   3.494 -10.080   0.092
  196    HH   TYR  21           HH       TYR  21   4.607 -13.360  -0.804
  197    H    GLY  22           H        GLY  22   8.123  -6.374   2.898
  198   1HA   GLY  22           HA2      GLY  22   9.696  -5.406   4.872
  199   2HA   GLY  22           HA1      GLY  22  10.907  -6.097   3.769
  200    H    GLU  23           H        GLU  23  10.336  -3.247   4.507
  201    HA   GLU  23           HA       GLU  23   9.073  -1.918   2.319
  202   1HB   GLU  23           H        GLU  23  10.254  -1.227   4.802
  203   2HB   GLU  23           H        GLU  23  11.218  -0.369   3.582
  204   1HG   GLU  23           H        GLU  23   8.246  -0.279   3.224
  205   2HG   GLU  23           H        GLU  23   8.891   0.588   4.624
  206    H    GLY  24           H        GLY  24   9.734  -1.749   0.266
  207   1HA   GLY  24           HA2      GLY  24  11.607  -0.937  -1.179
  208   2HA   GLY  24           HA1      GLY  24  12.650  -2.090  -0.319
  209    H    ASN  25           H        ASN  25  10.455  -4.131  -0.138
  210    HA   ASN  25           HA       ASN  25  10.913  -5.395  -2.736
  211   1HB   ASN  25           HB1      ASN  25   9.241  -6.252  -0.331
  212   2HB   ASN  25           HB2      ASN  25   9.680  -7.278  -1.711
  213   1HD2  ASN  25           HD21     ASN  25  12.335  -6.595   1.342
  214   2HD2  ASN  25           HD22     ASN  25  10.768  -5.817   1.281
  215    H    TRP  26           H        TRP  26   9.541  -2.988  -3.123
  216    HA   TRP  26           HA       TRP  26   6.717  -3.175  -3.056
  217   1HB   TRP  26           HB2      TRP  26   8.591  -1.562  -4.813
  218   2HB   TRP  26           HB1      TRP  26   6.845  -1.290  -4.680
  219    HD1  TRP  26           HD1      TRP  26   9.943  -0.028  -3.326
  220    HE1  TRP  26           HE1      TRP  26   9.659   1.212  -1.097
  221    HE3  TRP  26           HE3      TRP  26   5.214  -1.575  -2.148
  222    HZ2  TRP  26           HZ2      TRP  26   7.644   1.515   0.902
  223    HZ3  TRP  26           HZ3      TRP  26   4.145  -0.778  -0.060
  224    HH2  TRP  26           HH2      TRP  26   5.349   0.759   1.466
  225    H    SER  27           H        SER  27   9.107  -4.143  -5.537
  226    HA   SER  27           HA       SER  27   7.290  -4.638  -7.649
  227   1HB   SER  27           HB1      SER  27   9.744  -4.581  -7.911
  228   2HB   SER  27           HB2      SER  27   9.894  -6.058  -6.928
  229    HG   SER  27           HG       SER  27   8.473  -5.809  -9.379
  230    H    LYS  28           H        LYS  28   8.568  -6.866  -5.106
  231    HA   LYS  28           HA       LYS  28   7.013  -9.113  -5.935
  232   1HB   LYS  28           H        LYS  28   8.449  -8.339  -3.376
  233   2HB   LYS  28           H        LYS  28   7.548  -9.864  -3.514
  234   1HG   LYS  28           H        LYS  28   9.580  -9.099  -5.627
  235   2HG   LYS  28           H        LYS  28  10.108  -9.839  -4.097
  236   1HD   LYS  28           H        LYS  28   8.639 -11.771  -4.482
  237   2HD   LYS  28           H        LYS  28   8.011 -11.029  -5.973
  238   1HE   LYS  28           H        LYS  28  10.298 -11.052  -6.940
  239   2HE   LYS  28           H        LYS  28  10.911 -11.817  -5.458
  240   1HZ   LYS  28           H        LYS  28   8.894 -12.958  -7.265
  241   2HZ   LYS  28           H        LYS  28  10.476 -13.415  -7.172
  242   3HZ   LYS  28           H        LYS  28   9.468 -13.669  -5.892
  243    H    ILE  29           H        ILE  29   6.515  -6.655  -3.336
  244    HA   ILE  29           HA       ILE  29   4.151  -7.695  -2.252
  245    HB   ILE  29           HB       ILE  29   5.195  -4.859  -2.584
  246   1HG1  ILE  29           HG11     ILE  29   4.817  -6.478  -0.043
  247   2HG1  ILE  29           HG12     ILE  29   6.259  -6.699  -1.056
  248   1HG2  ILE  29           HG23     ILE  29   2.685  -5.837  -1.153
  249   2HG2  ILE  29           HG21     ILE  29   3.452  -4.265  -0.830
  250   3HG2  ILE  29           HG22     ILE  29   2.788  -4.612  -2.439
  251   1HD1  ILE  29           HD12     ILE  29   6.630  -4.188  -0.911
  252   2HD1  ILE  29           HD13     ILE  29   5.327  -4.135   0.296
  253   3HD1  ILE  29           HD11     ILE  29   6.809  -5.059   0.629
  254    H    LEU  30           H        LEU  30   4.532  -5.368  -4.991
  255    HA   LEU  30           HA       LEU  30   1.763  -5.068  -5.525
  256   1HB   LEU  30           HB1      LEU  30   3.495  -3.550  -6.382
  257   2HB   LEU  30           HB2      LEU  30   4.193  -4.860  -7.355
  258    HG   LEU  30           HG       LEU  30   2.096  -5.018  -8.670
  259   1HD1  LEU  30           HD13     LEU  30   1.208  -2.776  -6.807
  260   2HD1  LEU  30           HD12     LEU  30   0.411  -3.122  -8.358
  261   3HD1  LEU  30           HD11     LEU  30   0.417  -4.347  -7.072
  262   1HD2  LEU  30           HD22     LEU  30   3.900  -3.473  -9.389
  263   2HD2  LEU  30           HD23     LEU  30   2.294  -2.853  -9.837
  264   3HD2  LEU  30           HD21     LEU  30   3.155  -2.167  -8.437
  265    H    LEU  31           H        LEU  31   4.162  -7.480  -6.638
  266    HA   LEU  31           HA       LEU  31   2.500  -8.648  -8.656
  267   1HB   LEU  31           HB2      LEU  31   5.015  -8.830  -8.428
  268   2HB   LEU  31           HB1      LEU  31   4.760  -9.948  -7.075
  269    HG   LEU  31           HG       LEU  31   3.189 -10.622  -9.502
  270   1HD1  LEU  31           HD12     LEU  31   6.236 -10.771  -9.535
  271   2HD1  LEU  31           HD11     LEU  31   5.151 -11.531 -10.725
  272   3HD1  LEU  31           HD13     LEU  31   5.225  -9.757 -10.593
  273   1HD2  LEU  31           HD21     LEU  31   3.397 -12.086  -7.499
  274   2HD2  LEU  31           HD23     LEU  31   4.042 -12.878  -8.954
  275   3HD2  LEU  31           HD22     LEU  31   5.154 -12.177  -7.755
  276    H    HIS  32           H        HIS  32   3.123  -9.501  -5.206
  277    HA   HIS  32           HA       HIS  32   1.444 -11.866  -5.356
  278   1HB   HIS  32           HB2      HIS  32   2.733 -10.389  -3.032
  279   2HB   HIS  32           HB1      HIS  32   1.895 -11.948  -2.900
  280    HD1  HIS  32           HD1      HIS  32   2.938 -13.777  -4.892
  281    HD2  HIS  32           HD2      HIS  32   5.426 -10.816  -3.294
  282    HE1  HIS  32           HE1      HIS  32   5.346 -14.500  -5.281
  283    H    TYR  33           H        TYR  33   1.139  -8.706  -3.583
  284    HA   TYR  33           HA       TYR  33  -1.582  -9.376  -2.803
  285   1HB   TYR  33           HB2      TYR  33   0.348  -7.151  -2.335
  286   2HB   TYR  33           HB1      TYR  33  -1.368  -6.750  -2.206
  287    HD1  TYR  33           HD1      TYR  33  -2.831  -8.002  -0.597
  288    HD2  TYR  33           HD2      TYR  33   1.451  -8.454  -0.633
  289    HE1  TYR  33           HE1      TYR  33  -2.920  -9.001   1.675
  290    HE2  TYR  33           HE2      TYR  33   1.360  -9.461   1.638
  291    HH   TYR  33           HH       TYR  33  -1.730  -9.937   3.387
  292    H    LYS  34           H        LYS  34  -3.149  -7.269  -3.103
  293    HA   LYS  34           HA       LYS  34  -3.886  -7.430  -5.896
  294   1HB   LYS  34           H        LYS  34  -5.090  -5.885  -3.570
  295   2HB   LYS  34           H        LYS  34  -5.856  -6.144  -5.159
  296   1HG   LYS  34           H        LYS  34  -5.660  -8.629  -4.775
  297   2HG   LYS  34           H        LYS  34  -5.089  -8.284  -3.124
  298   1HD   LYS  34           H        LYS  34  -7.199  -7.008  -2.694
  299   2HD   LYS  34           H        LYS  34  -7.777  -7.454  -4.316
  300   1HE   LYS  34           H        LYS  34  -6.991  -9.445  -2.138
  301   2HE   LYS  34           H        LYS  34  -8.659  -8.952  -2.502
  302   1HZ   LYS  34           H        LYS  34  -8.327  -9.793  -4.734
  303   2HZ   LYS  34           H        LYS  34  -6.814 -10.314  -4.337
  304   3HZ   LYS  34           H        LYS  34  -8.132 -10.975  -3.600
  305    H    PHE  35           H        PHE  35  -4.893  -4.462  -5.022
  306    HA   PHE  35           HA       PHE  35  -4.347  -2.303  -5.557
  307   1HB   PHE  35           HB2      PHE  35  -1.497  -3.124  -6.159
  308   2HB   PHE  35           HB1      PHE  35  -2.109  -1.554  -5.627
  309    HD1  PHE  35           HD1      PHE  35  -3.704  -2.055  -3.290
  310    HD2  PHE  35           HD2      PHE  35  -0.080  -4.020  -4.538
  311    HE1  PHE  35           HE1      PHE  35  -3.221  -2.671  -0.937
  312    HE2  PHE  35           HE2      PHE  35   0.400  -4.627  -2.179
  313    HZ   PHE  35           HZ       PHE  35  -1.173  -3.957  -0.381
  314    H    ASN  36           H        ASN  36  -3.079  -1.097  -7.601
  315    HA   ASN  36           HA       ASN  36  -3.188  -2.693 -10.029
  316   1HB   ASN  36           HB2      ASN  36  -5.582  -2.442  -9.648
  317   2HB   ASN  36           HB1      ASN  36  -5.402  -0.696  -9.391
  318   1HD2  ASN  36           HD22     ASN  36  -6.451  -0.458 -12.781
  319   2HD2  ASN  36           HD21     ASN  36  -6.941  -0.325 -11.105
  320    H    ASN  37           H        ASN  37  -4.225   0.683 -10.061
  321    HA   ASN  37           HA       ASN  37  -1.814   1.400 -11.532
  322   1HB   ASN  37           HB1      ASN  37  -4.092   2.210 -12.140
  323   2HB   ASN  37           HB2      ASN  37  -4.176   3.090 -10.599
  324   1HD2  ASN  37           HD21     ASN  37  -3.071   5.812 -12.658
  325   2HD2  ASN  37           HD22     ASN  37  -4.477   5.026 -11.977
  326    H    ARG  38           H        ARG  38  -0.537   0.725  -9.465
  327    HA   ARG  38           HA       ARG  38   0.126   3.236  -8.043
  328   1HB   ARG  38           H        ARG  38  -0.790   0.646  -6.766
  329   2HB   ARG  38           H        ARG  38   0.375   1.695  -5.934
  330   1HG   ARG  38           H        ARG  38  -1.386   2.857  -5.147
  331   2HG   ARG  38           H        ARG  38  -1.615   3.479  -6.793
  332   1HD   ARG  38           H        ARG  38  -3.221   1.805  -7.312
  333   2HD   ARG  38           H        ARG  38  -2.750   0.814  -5.915
  334    HE   ARG  38           H        ARG  38  -3.799   3.459  -5.230
  335   1HH1  ARG  38           H        ARG  38  -4.718   0.188  -6.167
  336   2HH1  ARG  38           H        ARG  38  -6.092   0.100  -5.084
  337   1HH2  ARG  38           H        ARG  38  -5.627   3.357  -3.795
  338   2HH2  ARG  38           H        ARG  38  -6.576   1.884  -3.689
  339    H    THR  39           H        THR  39   2.124   3.421  -8.994
  340    HA   THR  39           HA       THR  39   3.910   1.178  -9.332
  341    HB   THR  39           HB       THR  39   5.013   3.949  -9.134
  342    HG1  THR  39           HG1      THR  39   3.113   3.200 -11.110
  343   1HG2  THR  39           HG22     THR  39   5.057   1.772 -11.273
  344   2HG2  THR  39           HG23     THR  39   5.995   3.284 -11.322
  345   3HG2  THR  39           HG21     THR  39   6.323   2.073 -10.062
  346    H    SER  40           H        SER  40   6.262   1.540  -8.238
  347    HA   SER  40           HA       SER  40   6.049   0.826  -5.556
  348   1HB   SER  40           HB1      SER  40   8.502   1.467  -5.462
  349   2HB   SER  40           HB2      SER  40   8.057   0.383  -6.801
  350    HG   SER  40           HG       SER  40   8.536   3.177  -6.882
  351    H    VAL  41           H        VAL  41   6.363   4.110  -6.974
  352    HA   VAL  41           HA       VAL  41   6.875   5.408  -4.465
  353    HB   VAL  41           HB       VAL  41   6.517   7.480  -5.668
  354   1HG1  VAL  41           HG11     VAL  41   8.583   6.090  -6.121
  355   2HG1  VAL  41           HG13     VAL  41   7.781   5.475  -7.585
  356   3HG1  VAL  41           HG12     VAL  41   8.148   7.208  -7.435
  357   1HG2  VAL  41           HG23     VAL  41   5.215   5.701  -7.762
  358   2HG2  VAL  41           HG22     VAL  41   4.495   7.072  -6.887
  359   3HG2  VAL  41           HG21     VAL  41   5.761   7.358  -8.100
  360    H    MET  42           H        MET  42   3.852   4.588  -6.239
  361    HA   MET  42           HA       MET  42   2.124   6.165  -4.563
  362   1HB   MET  42           HB1      MET  42   1.723   3.801  -6.418
  363   2HB   MET  42           HB2      MET  42   0.393   4.390  -5.403
  364   1HG   MET  42           HG1      MET  42   0.071   5.610  -7.349
  365   2HG   MET  42           HG2      MET  42   1.009   6.740  -6.364
  366   1HE   MET  42           HE3      MET  42   0.515   6.959  -9.504
  367   2HE   MET  42           HE2      MET  42   1.438   8.153  -8.561
  368   3HE   MET  42           HE1      MET  42   2.127   7.475 -10.055
  369    H    LEU  43           H        LEU  43   3.148   2.716  -4.531
  370    HA   LEU  43           HA       LEU  43   1.646   1.956  -2.241
  371   1HB   LEU  43           HB2      LEU  43   4.333   0.899  -3.230
  372   2HB   LEU  43           HB1      LEU  43   3.227   0.065  -2.119
  373    HG   LEU  43           HG       LEU  43   2.536   0.860  -4.985
  374   1HD1  LEU  43           HD12     LEU  43   4.272  -0.920  -4.837
  375   2HD1  LEU  43           HD11     LEU  43   3.188  -1.866  -3.790
  376   3HD1  LEU  43           HD13     LEU  43   2.734  -1.534  -5.478
  377   1HD2  LEU  43           HD23     LEU  43   1.069  -0.674  -2.810
  378   2HD2  LEU  43           HD21     LEU  43   0.518   0.761  -3.706
  379   3HD2  LEU  43           HD22     LEU  43   0.640  -0.806  -4.532
  380    H    LYS  44           H        LYS  44   4.985   3.266  -2.604
  381    HA   LYS  44           HA       LYS  44   5.661   3.132   0.158
  382   1HB   LYS  44           H        LYS  44   7.300   3.426  -1.691
  383   2HB   LYS  44           H        LYS  44   6.662   5.064  -1.974
  384   1HG   LYS  44           H        LYS  44   7.281   5.732   0.312
  385   2HG   LYS  44           H        LYS  44   7.831   4.080   0.668
  386   1HD   LYS  44           H        LYS  44   9.014   5.531  -1.702
  387   2HD   LYS  44           H        LYS  44   9.563   5.973  -0.067
  388   1HE   LYS  44           H        LYS  44   9.497   3.114  -1.101
  389   2HE   LYS  44           H        LYS  44  10.930   4.153  -1.202
  390   1HZ   LYS  44           H        LYS  44   9.560   3.568   1.329
  391   2HZ   LYS  44           H        LYS  44  10.806   2.659   0.757
  392   3HZ   LYS  44           H        LYS  44  11.042   4.252   1.113
  393    H    ASP  45           H        ASP  45   4.132   5.725  -1.822
  394    HA   ASP  45           HA       ASP  45   4.148   7.726   0.181
  395   1HB   ASP  45           H        ASP  45   3.666   8.174  -2.183
  396   2HB   ASP  45           H        ASP  45   2.166   7.230  -2.074
  397    H    ARG  46           H        ARG  46   1.602   5.299  -0.678
  398    HA   ARG  46           HA       ARG  46  -0.255   6.079   1.302
  399   1HB   ARG  46           H        ARG  46  -0.715   4.515  -0.588
  400   2HB   ARG  46           H        ARG  46   0.292   3.287   0.211
  401   1HG   ARG  46           H        ARG  46  -2.002   2.799   0.782
  402   2HG   ARG  46           H        ARG  46  -1.248   3.474   2.235
  403   1HD   ARG  46           H        ARG  46  -2.512   5.452   0.391
  404   2HD   ARG  46           H        ARG  46  -3.628   4.341   1.199
  405    HE   ARG  46           H        ARG  46  -1.897   6.378   2.484
  406   1HH1  ARG  46           H        ARG  46  -4.088   3.605   2.926
  407   2HH1  ARG  46           H        ARG  46  -4.588   4.111   4.524
  408   1HH2  ARG  46           H        ARG  46  -2.709   7.090   4.531
  409   2HH2  ARG  46           H        ARG  46  -3.786   6.064   5.445
  410    H    TRP  47           H        TRP  47   2.532   3.813   1.435
  411    HA   TRP  47           HA       TRP  47   2.001   2.969   4.134
  412   1HB   TRP  47           HB2      TRP  47   3.290   1.653   2.499
  413   2HB   TRP  47           HB1      TRP  47   4.543   2.901   2.479
  414    HD1  TRP  47           HD1      TRP  47   6.546   2.079   3.729
  415    HE1  TRP  47           HE1      TRP  47   7.066   0.766   5.885
  416    HE3  TRP  47           HE3      TRP  47   1.757   1.050   5.228
  417    HZ2  TRP  47           HZ2      TRP  47   5.607  -0.534   7.962
  418    HZ3  TRP  47           HZ3      TRP  47   1.368  -0.230   7.311
  419    HH2  TRP  47           HH2      TRP  47   3.279  -1.028   8.679
  420    H    ARG  48           H        ARG  48   3.719   5.718   2.695
  421    HA   ARG  48           HA       ARG  48   5.382   6.386   4.902
  422   1HB   ARG  48           H        ARG  48   5.594   7.304   2.594
  423   2HB   ARG  48           H        ARG  48   4.091   8.219   2.840
  424   1HG   ARG  48           H        ARG  48   5.153   9.366   4.802
  425   2HG   ARG  48           H        ARG  48   6.675   8.516   4.432
  426   1HD   ARG  48           H        ARG  48   6.798   9.575   2.246
  427   2HD   ARG  48           H        ARG  48   5.177  10.278   2.447
  428    HE   ARG  48           H        ARG  48   6.960  11.099   4.567
  429   1HH1  ARG  48           H        ARG  48   6.115  11.659   1.171
  430   2HH1  ARG  48           H        ARG  48   6.653  13.322   1.170
  431   1HH2  ARG  48           H        ARG  48   7.649  13.305   4.564
  432   2HH2  ARG  48           H        ARG  48   7.528  14.261   3.105
  433    H    THR  49           H        THR  49   2.093   7.570   3.991
  434    HA   THR  49           HA       THR  49   1.848   9.206   6.346
  435    HB   THR  49           HB       THR  49   0.592   9.748   4.349
  436    HG1  THR  49           HG1      THR  49  -0.379  10.107   6.430
  437   1HG2  THR  49           HG21     THR  49  -0.665   6.998   4.712
  438   2HG2  THR  49           HG22     THR  49  -1.307   8.252   3.626
  439   3HG2  THR  49           HG23     THR  49   0.303   7.566   3.334
  440    H    MET  50           H        MET  50   1.506   5.770   5.818
  441    HA   MET  50           HA       MET  50  -0.311   5.392   8.099
  442   1HB   MET  50           HB1      MET  50   1.140   3.536   6.187
  443   2HB   MET  50           HB2      MET  50   0.245   2.933   7.599
  444   1HG   MET  50           HG2      MET  50  -1.814   3.882   6.811
  445   2HG   MET  50           HG1      MET  50  -0.982   4.809   5.556
  446   1HE   MET  50           HE1      MET  50  -2.371   1.387   6.721
  447   2HE   MET  50           HE2      MET  50  -1.748   0.251   5.502
  448   3HE   MET  50           HE3      MET  50  -0.633   1.009   6.660
  449    H    LYS  51           H        LYS  51   3.153   4.782   7.296
  450    HA   LYS  51           HA       LYS  51   3.724   3.767   9.953
  451   1HB   LYS  51           H        LYS  51   5.955   3.478   9.153
  452   2HB   LYS  51           H        LYS  51   4.904   3.138   7.759
  453   1HG   LYS  51           H        LYS  51   5.214   5.703   7.246
  454   2HG   LYS  51           H        LYS  51   6.634   5.569   8.300
  455   1HD   LYS  51           H        LYS  51   6.081   3.850   5.837
  456   2HD   LYS  51           H        LYS  51   7.197   5.231   5.894
  457   1HE   LYS  51           H        LYS  51   8.432   4.024   7.766
  458   2HE   LYS  51           H        LYS  51   7.422   2.605   7.421
  459   1HZ   LYS  51           H        LYS  51   8.260   2.687   5.148
  460   2HZ   LYS  51           H        LYS  51   9.256   3.938   5.549
  461   3HZ   LYS  51           H        LYS  51   9.470   2.462   6.248
  462    H    LYS  52           H        LYS  52   3.684   6.927   8.409
  463    HA   LYS  52           HA       LYS  52   4.392   8.134  11.004
  464   1HB   LYS  52           H        LYS  52   6.530   7.889   9.708
  465   2HB   LYS  52           H        LYS  52   5.831   8.906   8.429
  466   1HG   LYS  52           H        LYS  52   5.500  10.742  10.073
  467   2HG   LYS  52           H        LYS  52   6.194   9.728  11.354
  468   1HD   LYS  52           H        LYS  52   7.640  10.597   8.802
  469   2HD   LYS  52           H        LYS  52   7.850  11.346  10.400
  470   1HE   LYS  52           H        LYS  52   8.563   8.496   9.579
  471   2HE   LYS  52           H        LYS  52   9.670   9.790  10.074
  472   1HZ   LYS  52           H        LYS  52   8.595   9.735  12.244
  473   2HZ   LYS  52           H        LYS  52   7.694   8.436  11.770
  474   3HZ   LYS  52           H        LYS  52   9.336   8.312  11.864
  475    H    LEU  53           H        LEU  53   2.051   8.448  10.841
  476    HA   LEU  53           HA       LEU  53   0.880  10.073   8.799
  477   1HB   LEU  53           HB2      LEU  53  -0.427   8.613  10.311
  478   2HB   LEU  53           HB1      LEU  53   0.067   9.602  11.702
  479    HG   LEU  53           HG       LEU  53  -1.057  11.586  10.658
  480   1HD1  LEU  53           HD11     LEU  53  -1.816   9.507   8.564
  481   2HD1  LEU  53           HD13     LEU  53  -2.698  11.036   8.772
  482   3HD1  LEU  53           HD12     LEU  53  -0.985  11.058   8.308
  483   1HD2  LEU  53           HD21     LEU  53  -2.248  10.143  12.286
  484   2HD2  LEU  53           HD22     LEU  53  -3.364  10.813  11.073
  485   3HD2  LEU  53           HD23     LEU  53  -2.827   9.120  10.949
   
  No H/Q in entry =         485
  Start of MODEL   14
    1   1H    ARG   1           H3       ARG   1 -12.752  18.685  -2.337
    2   2H    ARG   1           H2       ARG   1 -11.844  19.701  -1.408
    3   3H    ARG   1           H1       ARG   1 -11.146  18.384  -2.112
    4    HA   ARG   1           HA       ARG   1 -11.390  17.822   0.097
    5   1HB   ARG   1           H        ARG   1 -13.691  17.967   1.185
    6   2HB   ARG   1           H        ARG   1 -12.862  19.503   0.887
    7   1HG   ARG   1           H        ARG   1 -15.051  19.956   0.173
    8   2HG   ARG   1           H        ARG   1 -14.232  19.573  -1.352
    9   1HD   ARG   1           H        ARG   1 -15.263  17.451  -1.510
   10   2HD   ARG   1           H        ARG   1 -15.610  17.390   0.231
   11    HE   ARG   1           H        ARG   1 -17.581  18.536  -0.117
   12   1HH1  ARG   1           H        ARG   1 -15.537  18.814  -3.004
   13   2HH1  ARG   1           H        ARG   1 -16.765  19.605  -3.959
   14   1HH2  ARG   1           H        ARG   1 -19.194  19.573  -1.392
   15   2HH2  ARG   1           H        ARG   1 -18.853  20.025  -3.046
   16    H    LYS   2           H        LYS   2 -11.460  16.466  -2.441
   17    HA   LYS   2           HA       LYS   2 -13.024  14.083  -1.617
   18   1HB   LYS   2           H        LYS   2 -14.126  15.644  -3.463
   19   2HB   LYS   2           H        LYS   2 -12.945  14.869  -4.537
   20   1HG   LYS   2           H        LYS   2 -14.880  13.344  -2.727
   21   2HG   LYS   2           H        LYS   2 -15.196  13.715  -4.436
   22   1HD   LYS   2           H        LYS   2 -13.015  12.524  -5.003
   23   2HD   LYS   2           H        LYS   2 -12.947  11.997  -3.305
   24   1HE   LYS   2           H        LYS   2 -13.977  10.205  -4.512
   25   2HE   LYS   2           H        LYS   2 -15.281  11.023  -3.624
   26   1HZ   LYS   2           H        LYS   2 -14.612  11.459  -6.454
   27   2HZ   LYS   2           H        LYS   2 -15.870  10.550  -5.897
   28   3HZ   LYS   2           H        LYS   2 -15.846  12.177  -5.631
   29    H    ARG   3           H        ARG   3 -10.853  13.496  -0.848
   30    HA   ARG   3           HA       ARG   3  -9.415  11.992  -2.888
   31   1HB   ARG   3           H        ARG   3  -8.500  14.418  -2.928
   32   2HB   ARG   3           H        ARG   3  -7.823  14.059  -1.323
   33   1HG   ARG   3           H        ARG   3  -6.562  12.161  -2.248
   34   2HG   ARG   3           H        ARG   3  -7.322  12.403  -3.841
   35   1HD   ARG   3           H        ARG   3  -6.337  14.722  -3.887
   36   2HD   ARG   3           H        ARG   3  -5.466  14.335  -2.384
   37    HE   ARG   3           H        ARG   3  -4.873  12.287  -4.228
   38   1HH1  ARG   3           H        ARG   3  -4.374  15.772  -3.840
   39   2HH1  ARG   3           H        ARG   3  -2.912  15.809  -4.797
   40   1HH2  ARG   3           H        ARG   3  -2.952  12.346  -5.513
   41   2HH2  ARG   3           H        ARG   3  -2.094  13.851  -5.738
   42    H    GLN   4           H        GLN   4 -10.759  10.747  -1.114
   43    HA   GLN   4           HA       GLN   4  -9.608  10.519   1.515
   44   1HB   GLN   4           HB1      GLN   4 -12.006  10.030   0.766
   45   2HB   GLN   4           HB2      GLN   4 -11.388   8.522   0.054
   46   1HG   GLN   4           HG1      GLN   4 -10.779   7.638   2.169
   47   2HG   GLN   4           HG2      GLN   4 -10.828   9.233   2.952
   48   1HE2  GLN   4           HE21     GLN   4 -14.392   9.280   3.366
   49   2HE2  GLN   4           HE22     GLN   4 -12.980  10.291   3.163
   50    H    ALA   5           H        ALA   5  -8.862   8.296   2.338
   51    HA   ALA   5           HA       ALA   5  -6.507   7.502   0.907
   52   1HB   ALA   5           HB2      ALA   5  -6.754   7.468   3.388
   53   2HB   ALA   5           HB1      ALA   5  -7.940   6.150   3.229
   54   3HB   ALA   5           HB3      ALA   5  -6.250   5.892   2.734
   55    H    TRP   6           H        TRP   6  -6.220   4.868   0.826
   56    HA   TRP   6           HA       TRP   6  -7.888   4.034  -1.373
   57   1HB   TRP   6           HB2      TRP   6  -5.964   2.448   0.363
   58   2HB   TRP   6           HB1      TRP   6  -6.622   1.936  -1.193
   59    HD1  TRP   6           HD1      TRP   6  -6.047   5.110  -2.287
   60    HE1  TRP   6           HE1      TRP   6  -3.676   5.595  -3.175
   61    HE3  TRP   6           HE3      TRP   6  -3.578   1.177  -0.148
   62    HZ2  TRP   6           HZ2      TRP   6  -1.069   4.428  -2.969
   63    HZ3  TRP   6           HZ3      TRP   6  -1.142   0.901  -0.521
   64    HH2  TRP   6           HH2      TRP   6   0.111   2.518  -1.921
   65    H    LEU   7           H        LEU   7  -8.803   1.648  -1.231
   66    HA   LEU   7           HA       LEU   7 -10.904   1.741   0.772
   67   1HB   LEU   7           HB1      LEU   7 -11.690  -0.342  -0.371
   68   2HB   LEU   7           HB2      LEU   7 -11.489   1.041  -1.465
   69    HG   LEU   7           HG       LEU   7  -9.048  -0.623  -1.199
   70   1HD1  LEU   7           HD11     LEU   7 -10.821  -2.366  -1.002
   71   2HD1  LEU   7           HD13     LEU   7 -11.547  -1.774  -2.513
   72   3HD1  LEU   7           HD12     LEU   7  -9.920  -2.494  -2.531
   73   1HD2  LEU   7           HD23     LEU   7  -9.401   1.196  -2.898
   74   2HD2  LEU   7           HD21     LEU   7  -9.066  -0.380  -3.646
   75   3HD2  LEU   7           HD22     LEU   7 -10.730   0.247  -3.597
   76    H    TRP   8           H        TRP   8 -11.435  -0.182   2.122
   77    HA   TRP   8           HA       TRP   8  -9.408  -0.639   3.975
   78   1HB   TRP   8           HB1      TRP   8 -10.930  -2.014   5.089
   79   2HB   TRP   8           HB2      TRP   8 -11.940  -0.868   4.202
   80    HD1  TRP   8           HD1      TRP   8 -11.300  -4.493   4.681
   81    HE1  TRP   8           HE1      TRP   8 -12.856  -5.938   3.224
   82    HE3  TRP   8           HE3      TRP   8 -13.215  -0.828   1.653
   83    HZ2  TRP   8           HZ2      TRP   8 -14.662  -5.556   1.054
   84    HZ3  TRP   8           HZ3      TRP   8 -14.854  -1.421  -0.109
   85    HH2  TRP   8           HH2      TRP   8 -15.582  -3.775  -0.414
   86    H    GLU   9           H        GLU   9 -10.322  -2.704   1.162
   87    HA   GLU   9           HA       GLU   9  -8.804  -4.979   1.961
   88   1HB   GLU   9           H        GLU   9  -9.410  -4.042  -0.873
   89   2HB   GLU   9           H        GLU   9  -8.992  -5.690  -0.360
   90   1HG   GLU   9           H        GLU   9 -11.038  -5.674   1.116
   91   2HG   GLU   9           H        GLU   9 -11.484  -4.115   0.394
   92    H    GLU  10           H        GLU  10  -7.972  -2.295  -0.310
   93    HA   GLU  10           HA       GLU  10  -5.320  -3.169  -0.804
   94   1HB   GLU  10           H        GLU  10  -6.841  -1.381  -1.988
   95   2HB   GLU  10           H        GLU  10  -6.121  -0.254  -0.818
   96   1HG   GLU  10           H        GLU  10  -3.889  -0.786  -1.594
   97   2HG   GLU  10           H        GLU  10  -4.501  -2.109  -2.609
   98    H    ASP  11           H        ASP  11  -6.691  -0.917   1.630
   99    HA   ASP  11           HA       ASP  11  -4.242  -0.035   2.756
  100   1HB   ASP  11           H        ASP  11  -6.445   1.013   3.136
  101   2HB   ASP  11           H        ASP  11  -6.987  -0.428   4.019
  102    H    LYS  12           H        LYS  12  -6.346  -2.852   3.522
  103    HA   LYS  12           HA       LYS  12  -4.832  -3.781   5.761
  104   1HB   LYS  12           H        LYS  12  -7.159  -4.465   5.282
  105   2HB   LYS  12           H        LYS  12  -6.629  -5.262   3.785
  106   1HG   LYS  12           H        LYS  12  -6.920  -6.912   5.585
  107   2HG   LYS  12           H        LYS  12  -5.207  -6.811   5.114
  108   1HD   LYS  12           H        LYS  12  -4.596  -5.691   7.091
  109   2HD   LYS  12           H        LYS  12  -6.243  -5.071   7.365
  110   1HE   LYS  12           H        LYS  12  -5.646  -6.882   8.966
  111   2HE   LYS  12           H        LYS  12  -7.035  -7.316   7.947
  112   1HZ   LYS  12           H        LYS  12  -4.258  -8.164   7.491
  113   2HZ   LYS  12           H        LYS  12  -5.453  -9.098   8.136
  114   3HZ   LYS  12           H        LYS  12  -5.561  -8.586   6.573
  115    H    ASN  13           H        ASN  13  -4.757  -4.552   2.249
  116    HA   ASN  13           HA       ASN  13  -2.775  -6.581   2.362
  117   1HB   ASN  13           HB2      ASN  13  -3.555  -4.602   0.187
  118   2HB   ASN  13           HB1      ASN  13  -2.417  -5.939  -0.063
  119   1HD2  ASN  13           HD22     ASN  13  -5.883  -7.007  -1.105
  120   2HD2  ASN  13           HD21     ASN  13  -4.820  -5.687  -1.540
  121    H    LEU  14           H        LEU  14  -2.534  -3.010   2.166
  122    HA   LEU  14           HA       LEU  14   0.240  -2.866   1.606
  123   1HB   LEU  14           HB2      LEU  14  -1.393  -0.981   1.452
  124   2HB   LEU  14           HB1      LEU  14  -1.493  -0.950   3.224
  125    HG   LEU  14           HG       LEU  14   0.993  -0.529   3.303
  126   1HD1  LEU  14           HD12     LEU  14   0.591  -0.414   0.289
  127   2HD1  LEU  14           HD11     LEU  14   1.968   0.364   1.101
  128   3HD1  LEU  14           HD13     LEU  14   1.759  -1.398   1.198
  129   1HD2  LEU  14           HD22     LEU  14  -0.726   1.429   1.718
  130   2HD2  LEU  14           HD23     LEU  14  -0.587   1.335   3.488
  131   3HD2  LEU  14           HD21     LEU  14   0.809   1.844   2.512
  132    H    ARG  15           H        ARG  15  -1.482  -2.677   4.796
  133    HA   ARG  15           HA       ARG  15   0.833  -2.544   6.409
  134   1HB   ARG  15           H        ARG  15  -1.983  -3.571   6.854
  135   2HB   ARG  15           H        ARG  15  -0.754  -3.690   8.134
  136   1HG   ARG  15           H        ARG  15  -0.348  -1.205   7.852
  137   2HG   ARG  15           H        ARG  15  -1.761  -1.164   6.769
  138   1HD   ARG  15           H        ARG  15  -2.937  -2.429   8.793
  139   2HD   ARG  15           H        ARG  15  -1.617  -1.713   9.738
  140    HE   ARG  15           H        ARG  15  -2.593   0.379   9.505
  141   1HH1  ARG  15           H        ARG  15  -4.031  -1.896   7.200
  142   2HH1  ARG  15           H        ARG  15  -5.345  -0.823   6.761
  143   1HH2  ARG  15           H        ARG  15  -4.321   1.793   8.878
  144   2HH2  ARG  15           H        ARG  15  -5.414   1.313   7.591
  145    H    SER  16           H        SER  16  -1.199  -5.466   5.771
  146    HA   SER  16           HA       SER  16   0.486  -7.306   7.045
  147   1HB   SER  16           HB1      SER  16  -0.676  -9.001   5.617
  148   2HB   SER  16           HB2      SER  16  -1.790  -7.849   6.390
  149    HG   SER  16           HG       SER  16  -1.882  -6.709   4.442
  150    H    GLY  17           H        GLY  17   0.487  -6.271   3.597
  151   1HA   GLY  17           HA1      GLY  17   2.441  -8.075   2.676
  152   2HA   GLY  17           HA2      GLY  17   2.071  -6.496   1.959
  153    H    VAL  18           H        VAL  18   2.919  -4.605   3.594
  154    HA   VAL  18           HA       VAL  18   5.733  -4.676   3.328
  155    HB   VAL  18           HB       VAL  18   3.920  -2.914   5.031
  156   1HG1  VAL  18           HG11     VAL  18   6.885  -2.757   4.355
  157   2HG1  VAL  18           HG13     VAL  18   5.940  -1.332   4.838
  158   3HG1  VAL  18           HG12     VAL  18   6.122  -2.696   5.962
  159   1HG2  VAL  18           HG21     VAL  18   3.551  -2.875   2.542
  160   2HG2  VAL  18           HG22     VAL  18   4.178  -1.332   3.165
  161   3HG2  VAL  18           HG23     VAL  18   5.266  -2.462   2.326
  162    H    ARG  19           H        ARG  19   3.631  -5.395   6.161
  163    HA   ARG  19           HA       ARG  19   5.753  -5.614   8.063
  164   1HB   ARG  19           H        ARG  19   2.932  -6.710   7.881
  165   2HB   ARG  19           H        ARG  19   4.001  -7.125   9.241
  166   1HG   ARG  19           H        ARG  19   4.266  -4.791   9.841
  167   2HG   ARG  19           H        ARG  19   3.401  -4.263   8.377
  168   1HD   ARG  19           H        ARG  19   1.329  -5.204   9.156
  169   2HD   ARG  19           H        ARG  19   2.135  -6.055  10.489
  170    HE   ARG  19           H        ARG  19   1.358  -3.228  10.387
  171   1HH1  ARG  19           H        ARG  19   3.552  -5.586  11.862
  172   2HH1  ARG  19           H        ARG  19   3.644  -4.748  13.393
  173   1HH2  ARG  19           H        ARG  19   1.477  -2.131  12.418
  174   2HH2  ARG  19           H        ARG  19   2.497  -2.754  13.693
  175    H    LYS  20           H        LYS  20   4.168  -8.040   5.920
  176    HA   LYS  20           HA       LYS  20   5.601 -10.292   6.969
  177   1HB   LYS  20           H        LYS  20   4.011  -9.715   4.457
  178   2HB   LYS  20           H        LYS  20   4.901 -11.247   4.636
  179   1HG   LYS  20           H        LYS  20   3.646 -11.888   6.557
  180   2HG   LYS  20           H        LYS  20   3.026 -10.240   6.806
  181   1HD   LYS  20           H        LYS  20   1.298 -11.750   5.834
  182   2HD   LYS  20           H        LYS  20   1.685 -10.395   4.751
  183   1HE   LYS  20           H        LYS  20   3.148 -11.839   3.408
  184   2HE   LYS  20           H        LYS  20   2.899 -13.188   4.537
  185   1HZ   LYS  20           H        LYS  20   0.806 -11.899   2.924
  186   2HZ   LYS  20           H        LYS  20   1.515 -13.354   2.596
  187   3HZ   LYS  20           H        LYS  20   0.591 -13.174   3.949
  188    H    TYR  21           H        TYR  21   6.088  -8.289   3.996
  189    HA   TYR  21           HA       TYR  21   8.692  -9.643   3.587
  190   1HB   TYR  21           HB2      TYR  21   7.103  -7.754   1.811
  191   2HB   TYR  21           HB1      TYR  21   8.591  -8.605   1.359
  192    HD1  TYR  21           HD1      TYR  21   8.567 -11.184   1.427
  193    HD2  TYR  21           HD2      TYR  21   4.986  -8.798   1.563
  194    HE1  TYR  21           HE1      TYR  21   7.220 -13.163   0.767
  195    HE2  TYR  21           HE2      TYR  21   3.641 -10.777   0.908
  196    HH   TYR  21           HH       TYR  21   5.137 -13.954   0.226
  197    H    GLY  22           H        GLY  22   7.897  -6.252   2.696
  198   1HA   GLY  22           HA1      GLY  22   9.001  -4.757   4.677
  199   2HA   GLY  22           HA2      GLY  22  10.442  -5.401   3.862
  200    H    GLU  23           H        GLU  23  10.102  -2.698   3.903
  201    HA   GLU  23           HA       GLU  23   8.705  -1.718   1.558
  202   1HB   GLU  23           H        GLU  23  10.807  -0.457   3.376
  203   2HB   GLU  23           H        GLU  23   9.879   0.410   2.128
  204   1HG   GLU  23           H        GLU  23   7.767  -0.212   3.276
  205   2HG   GLU  23           H        GLU  23   8.700  -1.054   4.531
  206    H    GLY  24           H        GLY  24   9.759  -0.702  -0.279
  207   1HA   GLY  24           HA2      GLY  24  11.514  -0.355  -1.792
  208   2HA   GLY  24           HA1      GLY  24  12.569  -1.394  -0.808
  209    H    ASN  25           H        ASN  25  10.907  -3.645  -0.533
  210    HA   ASN  25           HA       ASN  25  11.251  -4.850  -3.183
  211   1HB   ASN  25           HB2      ASN  25  11.926  -5.966  -1.031
  212   2HB   ASN  25           HB1      ASN  25  10.207  -6.061  -0.589
  213   1HD2  ASN  25           HD22     ASN  25  10.773  -9.352  -2.025
  214   2HD2  ASN  25           HD21     ASN  25  10.995  -8.451  -0.544
  215    H    TRP  26           H        TRP  26   9.468  -2.971  -3.638
  216    HA   TRP  26           HA       TRP  26   6.744  -3.660  -3.031
  217   1HB   TRP  26           HB2      TRP  26   7.928  -1.837  -5.150
  218   2HB   TRP  26           HB1      TRP  26   6.231  -1.869  -4.640
  219    HD1  TRP  26           HD1      TRP  26   9.317  -0.074  -4.011
  220    HE1  TRP  26           HE1      TRP  26   9.264   1.298  -1.832
  221    HE3  TRP  26           HE3      TRP  26   5.171  -2.156  -1.848
  222    HZ2  TRP  26           HZ2      TRP  26   7.644   1.461   0.518
  223    HZ3  TRP  26           HZ3      TRP  26   4.405  -1.361   0.371
  224    HH2  TRP  26           HH2      TRP  26   5.631   0.443   1.556
  225    H    SER  27           H        SER  27   9.034  -4.667  -5.489
  226    HA   SER  27           HA       SER  27   7.318  -5.404  -7.587
  227   1HB   SER  27           HB2      SER  27   9.773  -6.915  -6.596
  228   2HB   SER  27           HB1      SER  27   9.101  -6.917  -8.246
  229    HG   SER  27           HG       SER  27  10.851  -5.457  -8.022
  230    H    LYS  28           H        LYS  28   8.369  -7.335  -4.712
  231    HA   LYS  28           HA       LYS  28   6.744  -9.612  -5.372
  232   1HB   LYS  28           H        LYS  28   8.451  -8.689  -3.118
  233   2HB   LYS  28           H        LYS  28   7.121  -9.768  -2.654
  234   1HG   LYS  28           H        LYS  28   9.116 -11.092  -3.181
  235   2HG   LYS  28           H        LYS  28   7.847 -11.398  -4.389
  236   1HD   LYS  28           H        LYS  28   8.936  -9.910  -5.992
  237   2HD   LYS  28           H        LYS  28  10.112  -9.387  -4.767
  238   1HE   LYS  28           H        LYS  28  11.169 -11.036  -6.214
  239   2HE   LYS  28           H        LYS  28  10.936 -11.747  -4.603
  240   1HZ   LYS  28           H        LYS  28   9.176 -12.166  -6.921
  241   2HZ   LYS  28           H        LYS  28  10.299 -13.238  -6.363
  242   3HZ   LYS  28           H        LYS  28   8.995 -12.851  -5.432
  243    H    ILE  29           H        ILE  29   6.285  -6.779  -3.199
  244    HA   ILE  29           HA       ILE  29   3.879  -7.527  -1.988
  245    HB   ILE  29           HB       ILE  29   4.878  -4.800  -2.902
  246   1HG1  ILE  29           HG12     ILE  29   6.222  -6.228  -1.205
  247   2HG1  ILE  29           HG11     ILE  29   5.819  -4.564  -0.739
  248   1HG2  ILE  29           HG23     ILE  29   2.528  -5.577  -1.148
  249   2HG2  ILE  29           HG22     ILE  29   3.304  -3.975  -1.053
  250   3HG2  ILE  29           HG21     ILE  29   2.547  -4.508  -2.569
  251   1HD1  ILE  29           HD12     ILE  29   4.166  -6.999   0.060
  252   2HD1  ILE  29           HD13     ILE  29   5.423  -6.266   1.077
  253   3HD1  ILE  29           HD11     ILE  29   3.976  -5.332   0.647
  254    H    LEU  30           H        LEU  30   4.355  -5.797  -5.122
  255    HA   LEU  30           HA       LEU  30   1.583  -5.542  -5.737
  256   1HB   LEU  30           HB2      LEU  30   4.132  -5.537  -7.385
  257   2HB   LEU  30           HB1      LEU  30   2.534  -5.304  -8.127
  258    HG   LEU  30           HG       LEU  30   3.355  -3.636  -5.730
  259   1HD1  LEU  30           HD12     LEU  30   4.017  -3.087  -8.659
  260   2HD1  LEU  30           HD13     LEU  30   4.203  -1.921  -7.327
  261   3HD1  LEU  30           HD11     LEU  30   5.190  -3.401  -7.359
  262   1HD2  LEU  30           HD21     LEU  30   0.997  -3.596  -6.515
  263   2HD2  LEU  30           HD22     LEU  30   1.791  -2.030  -6.785
  264   3HD2  LEU  30           HD23     LEU  30   1.549  -3.148  -8.145
  265    H    LEU  31           H        LEU  31   3.813  -8.254  -5.996
  266    HA   LEU  31           HA       LEU  31   2.214  -9.702  -7.954
  267   1HB   LEU  31           HB2      LEU  31   4.828  -9.805  -7.175
  268   2HB   LEU  31           HB1      LEU  31   4.169 -11.138  -6.202
  269    HG   LEU  31           HG       LEU  31   3.796 -10.821  -9.220
  270   1HD1  LEU  31           HD11     LEU  31   6.151 -11.289  -8.591
  271   2HD1  LEU  31           HD12     LEU  31   5.612 -12.683  -7.624
  272   3HD1  LEU  31           HD13     LEU  31   5.403 -12.691  -9.392
  273   1HD2  LEU  31           HD21     LEU  31   3.028 -12.978  -7.211
  274   2HD2  LEU  31           HD22     LEU  31   1.964 -12.091  -8.330
  275   3HD2  LEU  31           HD23     LEU  31   3.121 -13.283  -8.962
  276    H    HIS  32           H        HIS  32   2.882  -9.988  -4.418
  277    HA   HIS  32           HA       HIS  32   1.149 -12.207  -3.989
  278   1HB   HIS  32           HB2      HIS  32   2.070 -10.050  -2.053
  279   2HB   HIS  32           HB1      HIS  32   1.421 -11.642  -1.614
  280    HD1  HIS  32           HD1      HIS  32   2.930 -13.643  -3.199
  281    HD2  HIS  32           HD2      HIS  32   4.792 -10.171  -1.788
  282    HE1  HIS  32           HE1      HIS  32   5.436 -14.078  -3.148
  283    H    TYR  33           H        TYR  33   0.637  -8.651  -3.599
  284    HA   TYR  33           HA       TYR  33  -2.306  -9.213  -3.481
  285   1HB   TYR  33           HB1      TYR  33  -1.008  -6.709  -2.415
  286   2HB   TYR  33           HB2      TYR  33  -2.594  -7.389  -2.032
  287    HD1  TYR  33           HD2      TYR  33   1.036  -7.598  -1.398
  288    HD2  TYR  33           HD1      TYR  33  -2.840  -9.152  -0.359
  289    HE1  TYR  33           HE2      TYR  33   2.014  -8.687   0.595
  290    HE2  TYR  33           HE1      TYR  33  -1.860 -10.233   1.654
  291    HH   TYR  33           HH       TYR  33   1.578  -9.828   2.538
  292    H    LYS  34           H        LYS  34  -3.472  -8.369  -5.144
  293    HA   LYS  34           HA       LYS  34  -2.017  -6.803  -7.159
  294   1HB   LYS  34           H        LYS  34  -3.464  -8.747  -7.769
  295   2HB   LYS  34           H        LYS  34  -4.875  -7.861  -7.149
  296   1HG   LYS  34           H        LYS  34  -3.521  -6.051  -8.874
  297   2HG   LYS  34           H        LYS  34  -3.521  -7.612  -9.724
  298   1HD   LYS  34           H        LYS  34  -5.931  -7.796  -9.539
  299   2HD   LYS  34           H        LYS  34  -6.013  -6.384  -8.457
  300   1HE   LYS  34           H        LYS  34  -4.900  -6.219 -11.287
  301   2HE   LYS  34           H        LYS  34  -6.620  -5.973 -10.921
  302   1HZ   LYS  34           H        LYS  34  -4.401  -4.420  -9.770
  303   2HZ   LYS  34           H        LYS  34  -5.405  -3.916 -10.980
  304   3HZ   LYS  34           H        LYS  34  -6.006  -4.191  -9.470
  305    H    PHE  35           H        PHE  35  -1.751  -4.734  -6.284
  306    HA   PHE  35           HA       PHE  35  -3.926  -3.240  -5.106
  307   1HB   PHE  35           HB2      PHE  35  -1.232  -2.456  -6.286
  308   2HB   PHE  35           HB1      PHE  35  -2.349  -1.291  -5.566
  309    HD1  PHE  35           HD2      PHE  35  -0.520  -4.481  -4.755
  310    HD2  PHE  35           HD1      PHE  35  -2.230  -0.827  -3.265
  311    HE1  PHE  35           HE2      PHE  35   0.387  -4.975  -2.508
  312    HE2  PHE  35           HE1      PHE  35  -1.320  -1.326  -1.014
  313    HZ   PHE  35           HZ       PHE  35  -0.009  -3.400  -0.634
  314    H    ASN  36           H        ASN  36  -4.710  -1.117  -6.178
  315    HA   ASN  36           HA       ASN  36  -6.010  -1.774  -8.639
  316   1HB   ASN  36           HB2      ASN  36  -5.569   0.885  -7.221
  317   2HB   ASN  36           HB1      ASN  36  -6.622   0.677  -8.635
  318   1HD2  ASN  36           HD21     ASN  36  -8.990  -1.446  -6.787
  319   2HD2  ASN  36           HD22     ASN  36  -8.133  -1.430  -8.311
  320    H    ASN  37           H        ASN  37  -3.955   1.132  -8.286
  321    HA   ASN  37           HA       ASN  37  -2.237   0.290 -10.539
  322   1HB   ASN  37           HB1      ASN  37  -3.956   2.813 -10.532
  323   2HB   ASN  37           HB2      ASN  37  -2.647   2.485 -11.684
  324   1HD2  ASN  37           HD21     ASN  37  -4.446   0.036 -13.567
  325   2HD2  ASN  37           HD22     ASN  37  -2.852   0.590 -13.109
  326    H    ARG  38           H        ARG  38  -1.426   0.273  -8.005
  327    HA   ARG  38           HA       ARG  38  -0.369   2.923  -7.248
  328   1HB   ARG  38           H        ARG  38  -0.684   0.225  -5.933
  329   2HB   ARG  38           H        ARG  38   0.508   1.373  -5.300
  330   1HG   ARG  38           H        ARG  38  -1.710   1.565  -4.167
  331   2HG   ARG  38           H        ARG  38  -1.207   3.072  -4.966
  332   1HD   ARG  38           H        ARG  38  -2.745   2.799  -6.723
  333   2HD   ARG  38           H        ARG  38  -2.937   1.061  -6.416
  334    HE   ARG  38           H        ARG  38  -3.973   1.890  -4.164
  335   1HH1  ARG  38           H        ARG  38  -4.169   3.883  -7.098
  336   2HH1  ARG  38           H        ARG  38  -5.849   4.292  -6.857
  337   1HH2  ARG  38           H        ARG  38  -6.207   2.320  -3.938
  338   2HH2  ARG  38           H        ARG  38  -6.967   3.522  -4.972
  339    H    THR  39           H        THR  39   1.541   3.556  -8.046
  340    HA   THR  39           HA       THR  39   3.467   1.592  -9.067
  341    HB   THR  39           HB       THR  39   4.759   3.734  -9.579
  342    HG1  THR  39           HG1      THR  39   3.421   5.632  -9.393
  343   1HG2  THR  39           HG22     THR  39   3.248   2.629 -11.224
  344   2HG2  THR  39           HG21     THR  39   1.881   3.575 -10.587
  345   3HG2  THR  39           HG23     THR  39   3.234   4.400 -11.398
  346    H    SER  40           H        SER  40   5.871   2.081  -8.406
  347    HA   SER  40           HA       SER  40   6.196   1.342  -5.705
  348   1HB   SER  40           HB2      SER  40   8.603   1.816  -6.125
  349   2HB   SER  40           HB1      SER  40   7.856   0.883  -7.444
  350    HG   SER  40           HG       SER  40   9.050   2.578  -8.307
  351    H    VAL  41           H        VAL  41   6.313   4.572  -7.276
  352    HA   VAL  41           HA       VAL  41   7.237   5.943  -4.926
  353    HB   VAL  41           HB       VAL  41   7.534   6.870  -7.176
  354   1HG1  VAL  41           HG13     VAL  41   5.376   6.040  -8.148
  355   2HG1  VAL  41           HG11     VAL  41   4.513   7.280  -7.212
  356   3HG1  VAL  41           HG12     VAL  41   5.670   7.759  -8.469
  357   1HG2  VAL  41           HG23     VAL  41   7.377   8.369  -5.169
  358   2HG2  VAL  41           HG22     VAL  41   6.876   9.163  -6.680
  359   3HG2  VAL  41           HG21     VAL  41   5.649   8.604  -5.523
  360    H    MET  42           H        MET  42   3.960   5.292  -6.295
  361    HA   MET  42           HA       MET  42   2.510   6.859  -4.422
  362   1HB   MET  42           HB1      MET  42   1.822   4.374  -6.030
  363   2HB   MET  42           HB2      MET  42   0.642   5.176  -4.971
  364   1HG   MET  42           HG1      MET  42   0.924   7.276  -6.191
  365   2HG   MET  42           HG2      MET  42   2.181   6.553  -7.204
  366   1HE   MET  42           HE1      MET  42   1.058   7.329  -9.395
  367   2HE   MET  42           HE3      MET  42  -0.662   7.090  -9.783
  368   3HE   MET  42           HE2      MET  42  -0.195   8.149  -8.431
  369    H    LEU  43           H        LEU  43   3.581   3.423  -4.341
  370    HA   LEU  43           HA       LEU  43   2.332   2.744  -1.890
  371   1HB   LEU  43           HB2      LEU  43   4.740   1.697  -3.398
  372   2HB   LEU  43           HB1      LEU  43   4.252   1.001  -1.837
  373    HG   LEU  43           HG       LEU  43   2.168   1.393  -3.979
  374   1HD1  LEU  43           HD13     LEU  43   4.121  -0.937  -3.825
  375   2HD1  LEU  43           HD12     LEU  43   2.674  -0.867  -4.858
  376   3HD1  LEU  43           HD11     LEU  43   4.020   0.259  -5.137
  377   1HD2  LEU  43           HD21     LEU  43   1.553   0.670  -1.667
  378   2HD2  LEU  43           HD22     LEU  43   1.173  -0.570  -2.883
  379   3HD2  LEU  43           HD23     LEU  43   2.611  -0.747  -1.851
  380    H    LYS  44           H        LYS  44   5.687   3.931  -2.543
  381    HA   LYS  44           HA       LYS  44   6.552   3.905   0.151
  382   1HB   LYS  44           H        LYS  44   7.326   5.507  -2.300
  383   2HB   LYS  44           H        LYS  44   8.098   5.809  -0.726
  384   1HG   LYS  44           H        LYS  44   8.556   3.288  -0.619
  385   2HG   LYS  44           H        LYS  44   8.088   3.222  -2.329
  386   1HD   LYS  44           H        LYS  44  10.313   4.949  -1.138
  387   2HD   LYS  44           H        LYS  44  10.553   3.449  -2.061
  388   1HE   LYS  44           H        LYS  44   9.281   6.022  -3.104
  389   2HE   LYS  44           H        LYS  44  10.901   5.417  -3.500
  390   1HZ   LYS  44           H        LYS  44   9.863   3.488  -4.470
  391   2HZ   LYS  44           H        LYS  44   8.360   4.084  -4.136
  392   3HZ   LYS  44           H        LYS  44   9.347   4.872  -5.201
  393    H    ASP  45           H        ASP  45   5.217   6.653  -1.780
  394    HA   ASP  45           HA       ASP  45   5.265   8.565   0.280
  395   1HB   ASP  45           H        ASP  45   3.376   8.226  -2.085
  396   2HB   ASP  45           H        ASP  45   3.454   9.682  -1.074
  397    H    ARG  46           H        ARG  46   2.495   6.461  -0.738
  398    HA   ARG  46           HA       ARG  46   0.691   7.433   1.208
  399   1HB   ARG  46           H        ARG  46   0.309   5.939  -0.900
  400   2HB   ARG  46           H        ARG  46   0.672   4.578   0.183
  401   1HG   ARG  46           H        ARG  46  -1.720   4.883   0.204
  402   2HG   ARG  46           H        ARG  46  -1.114   5.495   1.758
  403   1HD   ARG  46           H        ARG  46  -1.777   7.620   1.297
  404   2HD   ARG  46           H        ARG  46  -1.126   7.553  -0.355
  405    HE   ARG  46           H        ARG  46  -3.508   5.969  -0.181
  406   1HH1  ARG  46           H        ARG  46  -2.407   9.334  -0.139
  407   2HH1  ARG  46           H        ARG  46  -3.869   9.965  -0.859
  408   1HH2  ARG  46           H        ARG  46  -5.409   6.803  -1.203
  409   2HH2  ARG  46           H        ARG  46  -5.586   8.522  -1.460
  410    H    TRP  47           H        TRP  47   2.806   4.499   1.277
  411    HA   TRP  47           HA       TRP  47   1.993   3.583   3.815
  412   1HB   TRP  47           HB2      TRP  47   3.265   2.206   2.285
  413   2HB   TRP  47           HB1      TRP  47   4.632   3.329   2.343
  414    HD1  TRP  47           HD1      TRP  47   6.489   2.586   3.848
  415    HE1  TRP  47           HE1      TRP  47   6.807   1.095   5.925
  416    HE3  TRP  47           HE3      TRP  47   1.604   1.308   4.658
  417    HZ2  TRP  47           HZ2      TRP  47   5.150  -0.443   7.680
  418    HZ3  TRP  47           HZ3      TRP  47   1.012  -0.184   6.540
  419    HH2  TRP  47           HH2      TRP  47   2.773  -1.067   8.053
  420    H    ARG  48           H        ARG  48   4.741   5.753   2.931
  421    HA   ARG  48           HA       ARG  48   5.760   5.995   5.571
  422   1HB   ARG  48           H        ARG  48   5.912   7.785   3.118
  423   2HB   ARG  48           H        ARG  48   6.802   8.125   4.619
  424   1HG   ARG  48           H        ARG  48   7.006   5.393   3.316
  425   2HG   ARG  48           H        ARG  48   7.977   6.747   2.701
  426   1HD   ARG  48           H        ARG  48   7.929   5.881   5.625
  427   2HD   ARG  48           H        ARG  48   9.135   5.319   4.453
  428    HE   ARG  48           H        ARG  48   9.012   7.923   5.752
  429   1HH1  ARG  48           H        ARG  48  10.134   6.147   2.898
  430   2HH1  ARG  48           H        ARG  48  11.414   7.278   2.531
  431   1HH2  ARG  48           H        ARG  48  10.695   9.420   5.250
  432   2HH2  ARG  48           H        ARG  48  11.729   9.149   3.866
  433    H    THR  49           H        THR  49   3.445   8.081   3.738
  434    HA   THR  49           HA       THR  49   3.145  10.051   5.754
  435    HB   THR  49           HB       THR  49   1.121   9.089   3.680
  436    HG1  THR  49           HG1      THR  49   3.091   9.726   2.764
  437   1HG2  THR  49           HG23     THR  49   1.406  11.685   5.259
  438   2HG2  THR  49           HG22     THR  49   0.301  11.461   3.880
  439   3HG2  THR  49           HG21     THR  49   0.073  10.512   5.366
  440    H    MET  50           H        MET  50   1.220   7.068   5.093
  441    HA   MET  50           HA       MET  50  -0.613   7.478   7.243
  442   1HB   MET  50           HB1      MET  50  -0.708   5.892   5.165
  443   2HB   MET  50           HB2      MET  50   0.188   4.751   6.196
  444   1HG   MET  50           HG2      MET  50  -1.565   4.902   7.911
  445   2HG   MET  50           HG1      MET  50  -2.428   6.112   6.949
  446   1HE   MET  50           HE2      MET  50  -4.142   3.930   7.997
  447   2HE   MET  50           HE1      MET  50  -4.690   5.089   6.765
  448   3HE   MET  50           HE3      MET  50  -5.001   3.352   6.551
  449    H    LYS  51           H        LYS  51   2.471   5.653   6.981
  450    HA   LYS  51           HA       LYS  51   2.342   4.801   9.774
  451   1HB   LYS  51           H        LYS  51   3.336   3.469   7.814
  452   2HB   LYS  51           H        LYS  51   4.691   4.618   7.840
  453   1HG   LYS  51           H        LYS  51   5.383   2.756   9.180
  454   2HG   LYS  51           H        LYS  51   4.957   4.040  10.329
  455   1HD   LYS  51           H        LYS  51   2.546   2.608   9.815
  456   2HD   LYS  51           H        LYS  51   3.811   1.381  10.041
  457   1HE   LYS  51           H        LYS  51   3.249   3.703  11.943
  458   2HE   LYS  51           H        LYS  51   2.720   2.025  12.191
  459   1HZ   LYS  51           H        LYS  51   5.017   1.369  12.213
  460   2HZ   LYS  51           H        LYS  51   5.510   2.925  11.981
  461   3HZ   LYS  51           H        LYS  51   4.733   2.506  13.375
  462    H    LYS  52           H        LYS  52   2.055   7.449   9.912
  463    HA   LYS  52           HA       LYS  52   4.662   8.344  11.032
  464   1HB   LYS  52           H        LYS  52   4.229   9.381   8.748
  465   2HB   LYS  52           H        LYS  52   2.790  10.146   9.448
  466   1HG   LYS  52           H        LYS  52   4.661  10.822  11.332
  467   2HG   LYS  52           H        LYS  52   5.689  10.728   9.887
  468   1HD   LYS  52           H        LYS  52   5.013  12.939   9.740
  469   2HD   LYS  52           H        LYS  52   3.713  12.173   8.800
  470   1HE   LYS  52           H        LYS  52   3.450  12.567  11.805
  471   2HE   LYS  52           H        LYS  52   3.081  13.889  10.681
  472   1HZ   LYS  52           H        LYS  52   1.837  11.235  10.614
  473   2HZ   LYS  52           H        LYS  52   1.148  12.583  11.263
  474   3HZ   LYS  52           H        LYS  52   1.464  12.510   9.642
  475    H    LEU  53           H        LEU  53   1.111   8.816  10.773
  476    HA   LEU  53           HA       LEU  53  -0.475   9.154  12.379
  477   1HB   LEU  53           HB2      LEU  53   1.149   7.687  13.815
  478   2HB   LEU  53           HB1      LEU  53   1.612   9.226  14.573
  479    HG   LEU  53           HG       LEU  53  -0.982   9.598  14.818
  480   1HD1  LEU  53           HD13     LEU  53  -0.796   6.560  14.543
  481   2HD1  LEU  53           HD12     LEU  53  -2.225   7.463  15.097
  482   3HD1  LEU  53           HD11     LEU  53  -1.647   7.655  13.428
  483   1HD2  LEU  53           HD22     LEU  53   0.538   7.526  16.464
  484   2HD2  LEU  53           HD23     LEU  53   0.572   9.290  16.704
  485   3HD2  LEU  53           HD21     LEU  53  -0.931   8.383  16.990
   
  No H/Q in entry =         485
  Start of MODEL   15
    1   1H    ARG   1           H2       ARG   1  -5.198  20.440  -1.658
    2   2H    ARG   1           H1       ARG   1  -6.073  20.613  -0.271
    3   3H    ARG   1           H3       ARG   1  -4.498  21.097  -0.318
    4    HA   ARG   1           HA       ARG   1  -3.743  18.865  -0.617
    5   1HB   ARG   1           H        ARG   1  -5.584  19.401   1.744
    6   2HB   ARG   1           H        ARG   1  -4.569  17.946   1.628
    7   1HG   ARG   1           H        ARG   1  -3.317  20.676   1.229
    8   2HG   ARG   1           H        ARG   1  -3.656  20.098   2.874
    9   1HD   ARG   1           H        ARG   1  -2.100  18.463   0.827
   10   2HD   ARG   1           H        ARG   1  -1.328  19.570   1.983
   11    HE   ARG   1           H        ARG   1  -3.072  17.809   3.399
   12   1HH1  ARG   1           H        ARG   1  -0.022  17.801   1.598
   13   2HH1  ARG   1           H        ARG   1   0.668  16.475   2.504
   14   1HH2  ARG   1           H        ARG   1  -2.148  16.070   4.605
   15   2HH2  ARG   1           H        ARG   1  -0.547  15.485   4.215
   16    H    LYS   2           H        LYS   2  -4.292  17.314  -2.042
   17    HA   LYS   2           HA       LYS   2  -7.079  16.524  -2.429
   18   1HB   LYS   2           H        LYS   2  -4.411  15.708  -3.632
   19   2HB   LYS   2           H        LYS   2  -5.921  14.855  -4.021
   20   1HG   LYS   2           H        LYS   2  -6.941  16.992  -4.755
   21   2HG   LYS   2           H        LYS   2  -5.420  17.842  -4.388
   22   1HD   LYS   2           H        LYS   2  -4.217  16.488  -6.042
   23   2HD   LYS   2           H        LYS   2  -5.678  15.523  -6.361
   24   1HE   LYS   2           H        LYS   2  -5.558  18.542  -6.753
   25   2HE   LYS   2           H        LYS   2  -5.179  17.384  -8.045
   26   1HZ   LYS   2           H        LYS   2  -7.379  16.467  -7.765
   27   2HZ   LYS   2           H        LYS   2  -7.732  17.583  -6.605
   28   3HZ   LYS   2           H        LYS   2  -7.445  18.068  -8.154
   29    H    ARG   3           H        ARG   3  -7.982  15.308  -0.845
   30    HA   ARG   3           HA       ARG   3  -6.391  13.372   0.661
   31   1HB   ARG   3           H        ARG   3  -8.529  12.963   1.860
   32   2HB   ARG   3           H        ARG   3  -8.089  14.683   1.823
   33   1HG   ARG   3           H        ARG   3  -9.639  14.353  -0.501
   34   2HG   ARG   3           H        ARG   3 -10.447  13.318   0.696
   35   1HD   ARG   3           H        ARG   3 -11.382  15.565   0.821
   36   2HD   ARG   3           H        ARG   3 -10.452  15.238   2.301
   37    HE   ARG   3           H        ARG   3  -8.688  16.469   0.480
   38   1HH1  ARG   3           H        ARG   3 -11.651  17.233   2.260
   39   2HH1  ARG   3           H        ARG   3 -11.330  18.950   2.324
   40   1HH2  ARG   3           H        ARG   3  -8.268  18.723   0.554
   41   2HH2  ARG   3           H        ARG   3  -9.395  19.803   1.353
   42    H    GLN   4           H        GLN   4  -5.760  12.170  -1.327
   43    HA   GLN   4           HA       GLN   4  -7.727  10.716  -2.841
   44   1HB   GLN   4           HB2      GLN   4  -4.743  10.234  -2.421
   45   2HB   GLN   4           HB1      GLN   4  -5.747   9.449  -3.662
   46   1HG   GLN   4           HG1      GLN   4  -5.229  12.447  -3.398
   47   2HG   GLN   4           HG2      GLN   4  -4.521  11.369  -4.615
   48   1HE2  GLN   4           HE21     GLN   4  -7.690  10.912  -6.387
   49   2HE2  GLN   4           HE22     GLN   4  -6.334   9.976  -5.800
   50    H    ALA   5           H        ALA   5  -9.130   9.589  -1.502
   51    HA   ALA   5           HA       ALA   5  -8.271   7.965   0.700
   52   1HB   ALA   5           HB1      ALA   5 -10.555   8.883   0.481
   53   2HB   ALA   5           HB2      ALA   5 -10.823   7.884  -0.965
   54   3HB   ALA   5           HB3      ALA   5 -10.590   7.111   0.618
   55    H    TRP   6           H        TRP   6  -8.238   5.667   0.859
   56    HA   TRP   6           HA       TRP   6  -7.629   4.284  -1.722
   57   1HB   TRP   6           HB2      TRP   6  -6.333   4.373   0.953
   58   2HB   TRP   6           HB1      TRP   6  -6.491   2.761   0.249
   59    HD1  TRP   6           HD1      TRP   6  -5.772   5.808  -1.934
   60    HE1  TRP   6           HE1      TRP   6  -3.436   5.594  -2.995
   61    HE3  TRP   6           HE3      TRP   6  -4.136   1.666   0.577
   62    HZ2  TRP   6           HZ2      TRP   6  -1.176   3.856  -2.775
   63    HZ3  TRP   6           HZ3      TRP   6  -1.874   0.765   0.126
   64    HH2  TRP   6           HH2      TRP   6  -0.390   1.856  -1.535
   65    H    LEU   7           H        LEU   7  -7.950   1.839  -1.510
   66    HA   LEU   7           HA       LEU   7 -10.664   1.371  -0.447
   67   1HB   LEU   7           HB1      LEU   7  -8.828  -0.378  -2.142
   68   2HB   LEU   7           HB2      LEU   7 -10.534  -0.707  -1.771
   69    HG   LEU   7           HG       LEU   7  -9.509   1.741  -3.293
   70   1HD1  LEU   7           HD12     LEU   7  -9.251  -0.391  -4.548
   71   2HD1  LEU   7           HD13     LEU   7 -10.973  -0.748  -4.276
   72   3HD1  LEU   7           HD11     LEU   7 -10.500   0.652  -5.267
   73   1HD2  LEU   7           HD21     LEU   7 -12.291   0.725  -2.570
   74   2HD2  LEU   7           HD23     LEU   7 -11.570   2.306  -2.177
   75   3HD2  LEU   7           HD22     LEU   7 -12.001   1.919  -3.858
   76    H    TRP   8           H        TRP   8 -11.141  -0.157   1.128
   77    HA   TRP   8           HA       TRP   8  -9.428  -0.538   3.261
   78   1HB   TRP   8           HB2      TRP   8 -10.978  -2.192   4.039
   79   2HB   TRP   8           HB1      TRP   8 -11.893  -0.936   3.199
   80    HD1  TRP   8           HD1      TRP   8 -11.162  -4.600   3.174
   81    HE1  TRP   8           HE1      TRP   8 -12.525  -5.821   1.362
   82    HE3  TRP   8           HE3      TRP   8 -12.966  -0.531   0.637
   83    HZ2  TRP   8           HZ2      TRP   8 -14.153  -5.125  -0.874
   84    HZ3  TRP   8           HZ3      TRP   8 -14.415  -0.860  -1.348
   85    HH2  TRP   8           HH2      TRP   8 -15.014  -3.147  -2.106
   86    H    GLU   9           H        GLU   9  -9.820  -2.598   0.368
   87    HA   GLU   9           HA       GLU   9  -8.269  -4.806   1.184
   88   1HB   GLU   9           H        GLU   9  -9.046  -3.533  -1.440
   89   2HB   GLU   9           H        GLU   9  -7.826  -4.829  -1.443
   90   1HG   GLU   9           H        GLU   9 -10.280  -5.320   0.196
   91   2HG   GLU   9           H        GLU   9 -10.505  -5.306  -1.561
   92    H    GLU  10           H        GLU  10  -7.215  -2.065  -0.928
   93    HA   GLU  10           HA       GLU  10  -4.486  -2.715  -0.918
   94   1HB   GLU  10           H        GLU  10  -5.875  -0.019  -1.190
   95   2HB   GLU  10           H        GLU  10  -4.171  -0.333  -1.592
   96   1HG   GLU  10           H        GLU  10  -5.121  -2.273  -3.072
   97   2HG   GLU  10           H        GLU  10  -6.666  -1.406  -2.935
   98    H    ASP  11           H        ASP  11  -6.340  -0.579   1.318
   99    HA   ASP  11           HA       ASP  11  -4.174   0.465   2.774
  100   1HB   ASP  11           H        ASP  11  -7.031  -0.220   3.549
  101   2HB   ASP  11           H        ASP  11  -5.907   0.572   4.670
  102    H    LYS  12           H        LYS  12  -6.188  -2.426   3.614
  103    HA   LYS  12           HA       LYS  12  -4.571  -3.194   5.836
  104   1HB   LYS  12           H        LYS  12  -6.442  -4.798   4.041
  105   2HB   LYS  12           H        LYS  12  -5.771  -5.390   5.577
  106   1HG   LYS  12           H        LYS  12  -7.333  -2.781   5.412
  107   2HG   LYS  12           H        LYS  12  -8.140  -4.349   5.636
  108   1HD   LYS  12           H        LYS  12  -6.711  -4.764   7.651
  109   2HD   LYS  12           H        LYS  12  -6.005  -3.142   7.451
  110   1HE   LYS  12           H        LYS  12  -8.260  -2.134   7.664
  111   2HE   LYS  12           H        LYS  12  -8.965  -3.753   7.870
  112   1HZ   LYS  12           H        LYS  12  -7.604  -4.002   9.835
  113   2HZ   LYS  12           H        LYS  12  -7.016  -2.470   9.655
  114   3HZ   LYS  12           H        LYS  12  -8.620  -2.706   9.964
  115    H    ASN  13           H        ASN  13  -4.592  -4.227   2.403
  116    HA   ASN  13           HA       ASN  13  -2.683  -6.289   2.616
  117   1HB   ASN  13           HB2      ASN  13  -3.431  -4.435   0.324
  118   2HB   ASN  13           HB1      ASN  13  -2.365  -5.837   0.144
  119   1HD2  ASN  13           HD21     ASN  13  -5.767  -6.974  -0.808
  120   2HD2  ASN  13           HD22     ASN  13  -4.407  -6.075  -1.463
  121    H    LEU  14           H        LEU  14  -2.264  -2.746   2.297
  122    HA   LEU  14           HA       LEU  14   0.513  -2.821   1.628
  123   1HB   LEU  14           HB2      LEU  14  -1.050  -0.839   1.421
  124   2HB   LEU  14           HB1      LEU  14  -0.985  -0.672   3.185
  125    HG   LEU  14           HG       LEU  14   1.551  -0.502   2.979
  126   1HD1  LEU  14           HD11     LEU  14   0.780  -0.433   0.035
  127   2HD1  LEU  14           HD13     LEU  14   2.302   0.262   0.638
  128   3HD1  LEU  14           HD12     LEU  14   1.984  -1.474   0.829
  129   1HD2  LEU  14           HD21     LEU  14  -0.134   1.573   1.512
  130   2HD2  LEU  14           HD23     LEU  14   0.115   1.484   3.271
  131   3HD2  LEU  14           HD22     LEU  14   1.482   1.851   2.195
  132    H    ARG  15           H        ARG  15  -1.198  -2.450   4.780
  133    HA   ARG  15           HA       ARG  15   1.108  -2.155   6.369
  134   1HB   ARG  15           H        ARG  15  -1.579  -3.377   7.087
  135   2HB   ARG  15           H        ARG  15  -0.363  -2.811   8.249
  136   1HG   ARG  15           H        ARG  15  -0.540  -0.517   7.320
  137   2HG   ARG  15           H        ARG  15  -1.742  -1.081   6.142
  138   1HD   ARG  15           H        ARG  15  -3.187  -0.338   7.774
  139   2HD   ARG  15           H        ARG  15  -2.937  -1.991   8.366
  140    HE   ARG  15           H        ARG  15  -1.633  -1.173  10.142
  141   1HH1  ARG  15           H        ARG  15  -2.216   1.413   7.792
  142   2HH1  ARG  15           H        ARG  15  -1.968   2.708   8.947
  143   1HH2  ARG  15           H        ARG  15  -1.208   0.550  11.632
  144   2HH2  ARG  15           H        ARG  15  -1.406   2.220  11.129
  145    H    SER  16           H        SER  16  -0.873  -5.171   6.002
  146    HA   SER  16           HA       SER  16   1.050  -6.787   7.352
  147   1HB   SER  16           HB1      SER  16  -0.268  -8.678   6.444
  148   2HB   SER  16           HB2      SER  16  -1.312  -7.410   7.130
  149    HG   SER  16           HG       SER  16  -0.919  -8.179   4.476
  150    H    GLY  17           H        GLY  17   0.565  -6.005   3.887
  151   1HA   GLY  17           HA1      GLY  17   2.286  -7.926   2.761
  152   2HA   GLY  17           HA2      GLY  17   1.919  -6.336   2.065
  153    H    VAL  18           H        VAL  18   3.068  -4.476   3.569
  154    HA   VAL  18           HA       VAL  18   5.826  -4.713   2.954
  155    HB   VAL  18           HB       VAL  18   4.336  -2.820   4.820
  156   1HG1  VAL  18           HG12     VAL  18   7.215  -2.895   3.846
  157   2HG1  VAL  18           HG11     VAL  18   6.434  -1.382   4.342
  158   3HG1  VAL  18           HG13     VAL  18   6.620  -2.705   5.511
  159   1HG2  VAL  18           HG23     VAL  18   3.719  -2.794   2.375
  160   2HG2  VAL  18           HG21     VAL  18   4.464  -1.278   2.928
  161   3HG2  VAL  18           HG22     VAL  18   5.421  -2.453   1.991
  162    H    ARG  19           H        ARG  19   4.039  -5.251   6.039
  163    HA   ARG  19           HA       ARG  19   6.361  -5.522   7.667
  164   1HB   ARG  19           H        ARG  19   3.637  -5.505   8.091
  165   2HB   ARG  19           H        ARG  19   4.024  -7.212   8.382
  166   1HG   ARG  19           H        ARG  19   5.382  -4.809   9.697
  167   2HG   ARG  19           H        ARG  19   4.190  -5.881  10.465
  168   1HD   ARG  19           H        ARG  19   5.788  -7.816   9.949
  169   2HD   ARG  19           H        ARG  19   6.997  -6.582   9.528
  170    HE   ARG  19           H        ARG  19   5.855  -6.053  12.115
  171   1HH1  ARG  19           H        ARG  19   8.117  -8.176  10.404
  172   2HH1  ARG  19           H        ARG  19   9.120  -8.466  11.807
  173   1HH2  ARG  19           H        ARG  19   7.181  -6.443  13.967
  174   2HH2  ARG  19           H        ARG  19   8.580  -7.484  13.841
  175    H    LYS  20           H        LYS  20   4.499  -7.894   5.704
  176    HA   LYS  20           HA       LYS  20   5.992 -10.176   6.650
  177   1HB   LYS  20           H        LYS  20   4.138  -9.671   4.297
  178   2HB   LYS  20           H        LYS  20   4.922 -11.242   4.568
  179   1HG   LYS  20           H        LYS  20   3.372  -9.867   6.787
  180   2HG   LYS  20           H        LYS  20   2.535 -10.855   5.571
  181   1HD   LYS  20           H        LYS  20   4.956 -12.110   6.798
  182   2HD   LYS  20           H        LYS  20   3.585 -11.853   7.898
  183   1HE   LYS  20           H        LYS  20   3.390 -14.060   6.877
  184   2HE   LYS  20           H        LYS  20   2.090 -13.016   6.268
  185   1HZ   LYS  20           H        LYS  20   4.608 -13.586   4.864
  186   2HZ   LYS  20           H        LYS  20   3.151 -14.286   4.535
  187   3HZ   LYS  20           H        LYS  20   3.363 -12.669   4.291
  188    H    TYR  21           H        TYR  21   6.013  -8.427   3.467
  189    HA   TYR  21           HA       TYR  21   8.328  -9.867   2.535
  190   1HB   TYR  21           HB2      TYR  21   7.010  -7.279   1.628
  191   2HB   TYR  21           HB1      TYR  21   8.345  -8.066   0.775
  192    HD1  TYR  21           HD1      TYR  21   7.877 -10.739   0.374
  193    HD2  TYR  21           HD2      TYR  21   4.901  -7.651   0.744
  194    HE1  TYR  21           HE1      TYR  21   6.269 -12.130  -0.911
  195    HE2  TYR  21           HE2      TYR  21   3.300  -9.038  -0.543
  196    HH   TYR  21           HH       TYR  21   2.989 -10.973  -1.748
  197    H    GLY  22           H        GLY  22   8.051  -6.310   3.094
  198   1HA   GLY  22           HA2      GLY  22   9.826  -5.714   4.993
  199   2HA   GLY  22           HA1      GLY  22  10.934  -6.205   3.691
  200    H    GLU  23           H        GLU  23  11.230  -3.674   4.501
  201    HA   GLU  23           HA       GLU  23   9.533  -1.762   3.174
  202   1HB   GLU  23           H        GLU  23  12.323  -1.655   4.390
  203   2HB   GLU  23           H        GLU  23  11.529  -0.230   3.685
  204   1HG   GLU  23           H        GLU  23  10.096  -1.907   5.768
  205   2HG   GLU  23           H        GLU  23  11.295  -0.697   6.263
  206    H    GLY  24           H        GLY  24   9.524  -1.171   1.064
  207   1HA   GLY  24           HA1      GLY  24  10.603  -0.465  -0.929
  208   2HA   GLY  24           HA2      GLY  24  12.020  -1.445  -0.518
  209    H    ASN  25           H        ASN  25   9.707  -3.604   0.201
  210    HA   ASN  25           HA       ASN  25   9.981  -4.980  -2.359
  211   1HB   ASN  25           HB1      ASN  25   8.517  -5.650   0.223
  212   2HB   ASN  25           HB2      ASN  25   8.632  -6.740  -1.174
  213   1HD2  ASN  25           HD22     ASN  25  12.015  -7.670  -0.627
  214   2HD2  ASN  25           HD21     ASN  25  10.694  -7.621  -1.773
  215    H    TRP  26           H        TRP  26   8.832  -2.931  -3.335
  216    HA   TRP  26           HA       TRP  26   5.947  -2.815  -3.033
  217   1HB   TRP  26           HB2      TRP  26   7.745  -1.596  -5.153
  218   2HB   TRP  26           HB1      TRP  26   6.105  -1.091  -4.734
  219    HD1  TRP  26           HD1      TRP  26   9.267   0.272  -4.415
  220    HE1  TRP  26           HE1      TRP  26   9.686   1.667  -2.301
  221    HE3  TRP  26           HE3      TRP  26   5.347  -1.382  -1.562
  222    HZ2  TRP  26           HZ2      TRP  26   8.509   1.987   0.274
  223    HZ3  TRP  26           HZ3      TRP  26   5.032  -0.489   0.724
  224    HH2  TRP  26           HH2      TRP  26   6.608   1.183   1.648
  225    H    SER  27           H        SER  27   8.233  -4.052  -5.513
  226    HA   SER  27           HA       SER  27   6.351  -4.715  -7.492
  227   1HB   SER  27           HB2      SER  27   8.775  -4.724  -7.860
  228   2HB   SER  27           HB1      SER  27   8.964  -6.090  -6.734
  229    HG   SER  27           HG       SER  27   7.437  -6.102  -9.134
  230    H    LYS  28           H        LYS  28   7.622  -6.761  -4.794
  231    HA   LYS  28           HA       LYS  28   6.161  -9.085  -5.458
  232   1HB   LYS  28           H        LYS  28   7.098  -8.085  -2.737
  233   2HB   LYS  28           H        LYS  28   6.584  -9.746  -3.103
  234   1HG   LYS  28           H        LYS  28   8.946  -8.281  -4.377
  235   2HG   LYS  28           H        LYS  28   9.044  -9.567  -3.155
  236   1HD   LYS  28           H        LYS  28   7.728 -11.039  -4.817
  237   2HD   LYS  28           H        LYS  28   8.076  -9.784  -6.032
  238   1HE   LYS  28           H        LYS  28  10.513 -10.022  -5.540
  239   2HE   LYS  28           H        LYS  28  10.135 -11.336  -4.404
  240   1HZ   LYS  28           H        LYS  28   9.509 -11.333  -7.276
  241   2HZ   LYS  28           H        LYS  28  10.755 -12.149  -6.566
  242   3HZ   LYS  28           H        LYS  28   9.195 -12.559  -6.217
  243    H    ILE  29           H        ILE  29   5.292  -6.293  -3.371
  244    HA   ILE  29           HA       ILE  29   2.866  -7.364  -2.387
  245    HB   ILE  29           HB       ILE  29   3.939  -4.564  -2.792
  246   1HG1  ILE  29           HG11     ILE  29   3.178  -6.130  -0.287
  247   2HG1  ILE  29           HG12     ILE  29   4.806  -6.151  -1.002
  248   1HG2  ILE  29           HG23     ILE  29   1.230  -5.397  -1.676
  249   2HG2  ILE  29           HG21     ILE  29   1.954  -3.793  -1.438
  250   3HG2  ILE  29           HG22     ILE  29   1.528  -4.336  -3.071
  251   1HD1  ILE  29           HD11     ILE  29   4.770  -3.592  -0.829
  252   2HD1  ILE  29           HD12     ILE  29   3.324  -3.781   0.191
  253   3HD1  ILE  29           HD13     ILE  29   4.873  -4.485   0.706
  254    H    LEU  30           H        LEU  30   3.600  -5.494  -5.358
  255    HA   LEU  30           HA       LEU  30   0.842  -5.246  -6.145
  256   1HB   LEU  30           HB1      LEU  30   3.530  -4.576  -7.199
  257   2HB   LEU  30           HB2      LEU  30   2.337  -4.955  -8.455
  258    HG   LEU  30           HG       LEU  30   2.499  -2.500  -7.769
  259   1HD1  LEU  30           HD11     LEU  30  -0.152  -3.978  -7.547
  260   2HD1  LEU  30           HD12     LEU  30  -0.001  -2.216  -7.725
  261   3HD1  LEU  30           HD13     LEU  30   0.584  -3.295  -9.012
  262   1HD2  LEU  30           HD22     LEU  30   2.706  -2.921  -5.309
  263   2HD2  LEU  30           HD23     LEU  30   1.391  -1.799  -5.720
  264   3HD2  LEU  30           HD21     LEU  30   1.018  -3.470  -5.285
  265    H    LEU  31           H        LEU  31   3.429  -7.599  -6.954
  266    HA   LEU  31           HA       LEU  31   1.760  -8.798  -9.024
  267   1HB   LEU  31           HB2      LEU  31   4.533  -9.172  -7.948
  268   2HB   LEU  31           HB1      LEU  31   3.786 -10.536  -8.802
  269    HG   LEU  31           HG       LEU  31   5.166  -8.971 -10.255
  270   1HD1  LEU  31           HD13     LEU  31   3.368 -10.513 -11.117
  271   2HD1  LEU  31           HD11     LEU  31   2.225  -9.154 -11.033
  272   3HD1  LEU  31           HD12     LEU  31   3.626  -9.068 -12.121
  273   1HD2  LEU  31           HD21     LEU  31   4.378  -6.851  -9.145
  274   2HD2  LEU  31           HD23     LEU  31   4.236  -6.832 -10.915
  275   3HD2  LEU  31           HD22     LEU  31   2.793  -7.088  -9.912
  276    H    HIS  32           H        HIS  32   2.482  -9.563  -5.573
  277    HA   HIS  32           HA       HIS  32   0.607 -11.876  -5.883
  278   1HB   HIS  32           HB2      HIS  32   2.963 -12.146  -4.041
  279   2HB   HIS  32           HB1      HIS  32   2.026 -13.399  -4.872
  280    HD1  HIS  32           HD1      HIS  32   3.125 -14.414  -6.909
  281    HD2  HIS  32           HD2      HIS  32   4.719 -10.684  -5.911
  282    HE1  HIS  32           HE1      HIS  32   5.112 -13.993  -8.444
  283    H    TYR  33           H        TYR  33   0.038  -9.188  -4.763
  284    HA   TYR  33           HA       TYR  33  -0.930 -10.202  -2.177
  285   1HB   TYR  33           HB2      TYR  33   1.455  -8.909  -2.138
  286   2HB   TYR  33           HB1      TYR  33   0.355  -7.539  -1.932
  287    HD1  TYR  33           HD2      TYR  33   1.289 -10.882  -0.533
  288    HD2  TYR  33           HD1      TYR  33  -0.678  -7.122   0.152
  289    HE1  TYR  33           HE2      TYR  33   1.041 -11.449   1.876
  290    HE2  TYR  33           HE1      TYR  33  -0.937  -7.691   2.548
  291    HH   TYR  33           HH       TYR  33   0.136 -10.813   3.898
  292    H    LYS  34           H        LYS  34  -2.011  -9.271  -4.837
  293    HA   LYS  34           HA       LYS  34  -3.827  -8.155  -5.641
  294   1HB   LYS  34           H        LYS  34  -4.812  -9.545  -3.805
  295   2HB   LYS  34           H        LYS  34  -4.698  -8.134  -2.729
  296   1HG   LYS  34           H        LYS  34  -6.051  -6.846  -4.494
  297   2HG   LYS  34           H        LYS  34  -6.352  -8.415  -5.276
  298   1HD   LYS  34           H        LYS  34  -6.899  -8.050  -2.320
  299   2HD   LYS  34           H        LYS  34  -8.080  -7.481  -3.521
  300   1HE   LYS  34           H        LYS  34  -8.230  -9.719  -4.495
  301   2HE   LYS  34           H        LYS  34  -6.964 -10.317  -3.398
  302   1HZ   LYS  34           H        LYS  34  -9.402  -9.098  -2.340
  303   2HZ   LYS  34           H        LYS  34  -9.383 -10.688  -2.798
  304   3HZ   LYS  34           H        LYS  34  -8.364 -10.158  -1.616
  305    H    PHE  35           H        PHE  35  -3.199  -6.209  -6.456
  306    HA   PHE  35           HA       PHE  35  -3.960  -3.844  -4.884
  307   1HB   PHE  35           HB2      PHE  35  -1.157  -4.553  -5.578
  308   2HB   PHE  35           HB1      PHE  35  -1.643  -2.907  -5.993
  309    HD1  PHE  35           HD2      PHE  35  -1.106  -5.303  -3.221
  310    HD2  PHE  35           HD1      PHE  35  -2.144  -1.264  -4.288
  311    HE1  PHE  35           HE2      PHE  35  -0.775  -4.591  -0.866
  312    HE2  PHE  35           HE1      PHE  35  -1.802  -0.559  -1.936
  313    HZ   PHE  35           HZ       PHE  35  -1.123  -2.224  -0.228
  314    H    ASN  36           H        ASN  36  -3.990  -1.876  -6.333
  315    HA   ASN  36           HA       ASN  36  -4.843  -2.717  -9.061
  316   1HB   ASN  36           HB2      ASN  36  -5.352  -0.101  -7.586
  317   2HB   ASN  36           HB1      ASN  36  -6.122  -0.652  -9.088
  318   1HD2  ASN  36           HD22     ASN  36  -7.827  -3.407  -7.125
  319   2HD2  ASN  36           HD21     ASN  36  -6.585  -3.400  -8.354
  320    H    ASN  37           H        ASN  37  -4.556   0.348  -9.656
  321    HA   ASN  37           HA       ASN  37  -1.905   0.096 -10.840
  322   1HB   ASN  37           HB2      ASN  37  -3.995   1.169 -11.880
  323   2HB   ASN  37           HB1      ASN  37  -3.698   2.551 -10.805
  324   1HD2  ASN  37           HD21     ASN  37  -0.715   3.634 -12.512
  325   2HD2  ASN  37           HD22     ASN  37  -1.476   3.564 -10.934
  326    H    ARG  38           H        ARG  38  -1.013  -0.193  -8.519
  327    HA   ARG  38           HA       ARG  38  -0.425   2.474  -7.304
  328   1HB   ARG  38           H        ARG  38  -1.158  -0.098  -6.206
  329   2HB   ARG  38           H        ARG  38   0.487   0.307  -5.676
  330   1HG   ARG  38           H        ARG  38  -0.795   1.333  -4.030
  331   2HG   ARG  38           H        ARG  38  -0.540   2.681  -5.158
  332   1HD   ARG  38           H        ARG  38  -2.975   0.851  -5.198
  333   2HD   ARG  38           H        ARG  38  -2.927   2.401  -4.341
  334    HE   ARG  38           H        ARG  38  -2.147   2.940  -6.977
  335   1HH1  ARG  38           H        ARG  38  -5.002   1.785  -5.217
  336   2HH1  ARG  38           H        ARG  38  -6.129   2.336  -6.441
  337   1HH2  ARG  38           H        ARG  38  -3.624   3.540  -8.629
  338   2HH2  ARG  38           H        ARG  38  -5.349   3.403  -8.350
  339    H    THR  39           H        THR  39   1.452   3.318  -7.938
  340    HA   THR  39           HA       THR  39   3.586   1.578  -8.974
  341    HB   THR  39           HB       THR  39   4.665   3.875  -9.382
  342    HG1  THR  39           HG1      THR  39   3.406   4.995  -7.839
  343   1HG2  THR  39           HG21     THR  39   3.430   2.601 -11.124
  344   2HG2  THR  39           HG22     THR  39   1.907   3.337 -10.574
  345   3HG2  THR  39           HG23     THR  39   3.177   4.353 -11.294
  346    H    SER  40           H        SER  40   5.886   2.180  -8.259
  347    HA   SER  40           HA       SER  40   6.280   1.476  -5.581
  348   1HB   SER  40           HB2      SER  40   8.625   2.399  -6.008
  349   2HB   SER  40           HB1      SER  40   8.041   1.182  -7.168
  350    HG   SER  40           HG       SER  40   8.958   3.003  -8.211
  351    H    VAL  41           H        VAL  41   6.442   4.760  -7.077
  352    HA   VAL  41           HA       VAL  41   7.111   6.142  -4.700
  353    HB   VAL  41           HB       VAL  41   6.304   8.164  -5.904
  354   1HG1  VAL  41           HG12     VAL  41   8.551   7.166  -6.345
  355   2HG1  VAL  41           HG11     VAL  41   7.848   6.223  -7.681
  356   3HG1  VAL  41           HG13     VAL  41   7.884   7.999  -7.769
  357   1HG2  VAL  41           HG21     VAL  41   5.308   6.124  -7.947
  358   2HG2  VAL  41           HG23     VAL  41   4.323   7.285  -7.028
  359   3HG2  VAL  41           HG22     VAL  41   5.466   7.866  -8.256
  360    H    MET  42           H        MET  42   3.904   5.203  -6.026
  361    HA   MET  42           HA       MET  42   2.367   6.754  -4.173
  362   1HB   MET  42           HB1      MET  42   1.812   4.323  -5.903
  363   2HB   MET  42           HB2      MET  42   0.586   4.943  -4.778
  364   1HG   MET  42           HG2      MET  42   1.991   6.647  -6.871
  365   2HG   MET  42           HG1      MET  42   0.438   5.848  -7.143
  366   1HE   MET  42           HE2      MET  42  -1.741   6.378  -6.016
  367   2HE   MET  42           HE1      MET  42  -1.135   6.238  -4.349
  368   3HE   MET  42           HE3      MET  42  -2.035   7.687  -4.848
  369    H    LEU  43           H        LEU  43   3.340   3.285  -4.212
  370    HA   LEU  43           HA       LEU  43   2.164   2.567  -1.749
  371   1HB   LEU  43           HB2      LEU  43   4.690   1.541  -3.110
  372   2HB   LEU  43           HB1      LEU  43   3.854   0.724  -1.772
  373    HG   LEU  43           HG       LEU  43   2.220   1.477  -4.184
  374   1HD1  LEU  43           HD13     LEU  43   4.419   0.423  -4.974
  375   2HD1  LEU  43           HD12     LEU  43   3.910  -1.046  -4.113
  376   3HD1  LEU  43           HD11     LEU  43   2.935  -0.411  -5.455
  377   1HD2  LEU  43           HD23     LEU  43   2.303  -0.941  -2.321
  378   2HD2  LEU  43           HD22     LEU  43   1.189   0.438  -2.185
  379   3HD2  LEU  43           HD21     LEU  43   1.089  -0.647  -3.588
  380    H    LYS  44           H        LYS  44   5.455   3.833  -2.481
  381    HA   LYS  44           HA       LYS  44   6.453   3.667   0.168
  382   1HB   LYS  44           H        LYS  44   7.727   4.005  -2.020
  383   2HB   LYS  44           H        LYS  44   7.239   5.714  -1.940
  384   1HG   LYS  44           H        LYS  44   8.306   5.897   0.301
  385   2HG   LYS  44           H        LYS  44   8.803   4.192   0.190
  386   1HD   LYS  44           H        LYS  44  10.161   4.686  -1.802
  387   2HD   LYS  44           H        LYS  44   9.606   6.377  -1.784
  388   1HE   LYS  44           H        LYS  44  11.813   6.273  -0.760
  389   2HE   LYS  44           H        LYS  44  10.616   6.636   0.502
  390   1HZ   LYS  44           H        LYS  44  11.723   3.973  -0.067
  391   2HZ   LYS  44           H        LYS  44  12.193   4.957   1.170
  392   3HZ   LYS  44           H        LYS  44  10.661   4.349   1.138
  393    H    ASP  45           H        ASP  45   5.000   6.466  -1.612
  394    HA   ASP  45           HA       ASP  45   5.231   8.337   0.494
  395   1HB   ASP  45           H        ASP  45   4.748   9.025  -1.774
  396   2HB   ASP  45           H        ASP  45   3.236   8.090  -1.791
  397    H    ARG  46           H        ARG  46   2.428   6.245  -0.419
  398    HA   ARG  46           HA       ARG  46   0.758   7.153   1.701
  399   1HB   ARG  46           H        ARG  46   0.788   4.563   0.100
  400   2HB   ARG  46           H        ARG  46  -0.521   5.038   1.204
  401   1HG   ARG  46           H        ARG  46   0.422   6.703  -1.182
  402   2HG   ARG  46           H        ARG  46  -0.986   5.629  -1.193
  403   1HD   ARG  46           H        ARG  46  -2.100   7.530  -0.610
  404   2HD   ARG  46           H        ARG  46  -1.562   7.082   1.024
  405    HE   ARG  46           H        ARG  46   0.478   8.639  -0.240
  406   1HH1  ARG  46           H        ARG  46  -2.805   8.948   1.072
  407   2HH1  ARG  46           H        ARG  46  -2.604  10.625   1.526
  408   1HH2  ARG  46           H        ARG  46   0.721  10.834   0.303
  409   2HH2  ARG  46           H        ARG  46  -0.592  11.714   1.070
  410    H    TRP  47           H        TRP  47   3.011   4.341   1.460
  411    HA   TRP  47           HA       TRP  47   2.360   3.139   3.899
  412   1HB   TRP  47           HB1      TRP  47   3.825   2.102   2.257
  413   2HB   TRP  47           HB2      TRP  47   5.046   3.356   2.514
  414    HD1  TRP  47           HD1      TRP  47   6.975   2.244   3.685
  415    HE1  TRP  47           HE1      TRP  47   7.353   0.680   5.694
  416    HE3  TRP  47           HE3      TRP  47   2.092   1.302   4.907
  417    HZ2  TRP  47           HZ2      TRP  47   5.755  -0.773   7.558
  418    HZ3  TRP  47           HZ3      TRP  47   1.567  -0.152   6.831
  419    HH2  TRP  47           HH2      TRP  47   3.379  -1.212   8.149
  420    H    ARG  48           H        ARG  48   4.694   5.791   3.231
  421    HA   ARG  48           HA       ARG  48   5.835   6.084   5.748
  422   1HB   ARG  48           H        ARG  48   6.396   7.366   3.663
  423   2HB   ARG  48           H        ARG  48   4.925   8.335   3.906
  424   1HG   ARG  48           H        ARG  48   5.761   9.115   6.082
  425   2HG   ARG  48           H        ARG  48   7.205   8.087   5.919
  426   1HD   ARG  48           H        ARG  48   7.960   9.338   3.983
  427   2HD   ARG  48           H        ARG  48   6.445  10.258   3.918
  428    HE   ARG  48           H        ARG  48   8.736  10.732   5.666
  429   1HH1  ARG  48           H        ARG  48   5.237  11.152   5.278
  430   2HH1  ARG  48           H        ARG  48   5.158  12.573   6.292
  431   1HH2  ARG  48           H        ARG  48   8.627  12.622   6.985
  432   2HH2  ARG  48           H        ARG  48   7.089  13.401   7.280
  433    H    THR  49           H        THR  49   2.612   7.187   4.621
  434    HA   THR  49           HA       THR  49   2.027   8.586   7.105
  435    HB   THR  49           HB       THR  49   0.149   7.698   4.874
  436    HG1  THR  49           HG1      THR  49   0.645   9.652   3.945
  437   1HG2  THR  49           HG22     THR  49   0.009   9.920   6.963
  438   2HG2  THR  49           HG23     THR  49  -1.169   9.665   5.654
  439   3HG2  THR  49           HG21     THR  49  -0.985   8.443   6.933
  440    H    MET  50           H        MET  50   1.112   5.432   5.604
  441    HA   MET  50           HA       MET  50  -0.764   4.638   7.574
  442   1HB   MET  50           HB1      MET  50   0.886   3.282   5.476
  443   2HB   MET  50           HB2      MET  50   0.181   2.256   6.742
  444   1HG   MET  50           HG2      MET  50  -1.390   2.373   4.918
  445   2HG   MET  50           HG1      MET  50  -2.051   3.286   6.280
  446   1HE   MET  50           HE1      MET  50  -3.831   4.163   4.492
  447   2HE   MET  50           HE2      MET  50  -3.396   5.067   3.020
  448   3HE   MET  50           HE3      MET  50  -2.986   3.338   3.157
  449    H    LYS  51           H        LYS  51   2.806   4.535   7.586
  450    HA   LYS  51           HA       LYS  51   3.132   2.666   9.712
  451   1HB   LYS  51           H        LYS  51   4.797   5.006   8.717
  452   2HB   LYS  51           H        LYS  51   5.315   3.979  10.075
  453   1HG   LYS  51           H        LYS  51   5.006   1.966   8.574
  454   2HG   LYS  51           H        LYS  51   4.712   3.084   7.229
  455   1HD   LYS  51           H        LYS  51   6.987   2.805   6.962
  456   2HD   LYS  51           H        LYS  51   7.012   4.162   8.107
  457   1HE   LYS  51           H        LYS  51   7.415   2.693   9.971
  458   2HE   LYS  51           H        LYS  51   7.041   1.250   9.003
  459   1HZ   LYS  51           H        LYS  51   9.325   3.036   8.542
  460   2HZ   LYS  51           H        LYS  51   9.394   1.577   9.305
  461   3HZ   LYS  51           H        LYS  51   8.983   1.651   7.708
  462    H    LYS  52           H        LYS  52   2.209   6.092   9.661
  463    HA   LYS  52           HA       LYS  52   2.465   6.306  12.597
  464   1HB   LYS  52           H        LYS  52   1.597   8.265  10.430
  465   2HB   LYS  52           H        LYS  52   1.692   8.658  12.161
  466   1HG   LYS  52           H        LYS  52   4.050   7.617  10.516
  467   2HG   LYS  52           H        LYS  52   3.731   9.338  10.824
  468   1HD   LYS  52           H        LYS  52   4.902   9.124  12.745
  469   2HD   LYS  52           H        LYS  52   3.562   8.136  13.368
  470   1HE   LYS  52           H        LYS  52   4.672   6.123  12.268
  471   2HE   LYS  52           H        LYS  52   6.066   7.166  11.922
  472   1HZ   LYS  52           H        LYS  52   6.266   7.556  14.275
  473   2HZ   LYS  52           H        LYS  52   4.976   6.576  14.588
  474   3HZ   LYS  52           H        LYS  52   6.356   5.943  13.944
  475    H    LEU  53           H        LEU  53  -0.057   6.453  10.031
  476    HA   LEU  53           HA       LEU  53  -2.152   6.240  12.123
  477   1HB   LEU  53           HB2      LEU  53  -2.067   7.960  10.122
  478   2HB   LEU  53           HB1      LEU  53  -2.672   6.595   9.161
  479    HG   LEU  53           HG       LEU  53  -3.964   7.594  11.746
  480   1HD1  LEU  53           HD13     LEU  53  -4.732   8.090   8.836
  481   2HD1  LEU  53           HD12     LEU  53  -5.680   8.584  10.259
  482   3HD1  LEU  53           HD11     LEU  53  -4.080   9.302   9.964
  483   1HD2  LEU  53           HD21     LEU  53  -4.780   5.578   9.610
  484   2HD2  LEU  53           HD22     LEU  53  -4.553   5.291  11.353
  485   3HD2  LEU  53           HD23     LEU  53  -5.926   6.266  10.785
   
  No H/Q in entry =         485
  Start of MODEL   16
    1   1H    ARG   1           H1       ARG   1 -12.098  18.232  -3.250
    2   2H    ARG   1           H2       ARG   1 -12.998  16.851  -3.216
    3   3H    ARG   1           H3       ARG   1 -13.525  18.198  -2.424
    4    HA   ARG   1           HA       ARG   1 -11.698  18.110  -0.909
    5   1HB   ARG   1           H        ARG   1 -13.857  16.935  -0.413
    6   2HB   ARG   1           H        ARG   1 -13.170  15.446  -1.100
    7   1HG   ARG   1           H        ARG   1 -11.467  15.349   0.617
    8   2HG   ARG   1           H        ARG   1 -11.852  16.991   1.179
    9   1HD   ARG   1           H        ARG   1 -12.791  15.123   2.624
   10   2HD   ARG   1           H        ARG   1 -13.988  16.293   2.035
   11    HE   ARG   1           H        ARG   1 -15.024  14.617   0.830
   12   1HH1  ARG   1           H        ARG   1 -11.755  13.553   1.722
   13   2HH1  ARG   1           H        ARG   1 -12.000  11.913   1.163
   14   1HH2  ARG   1           H        ARG   1 -15.325  12.449   0.113
   15   2HH2  ARG   1           H        ARG   1 -14.021  11.286   0.244
   16    H    LYS   2           H        LYS   2  -9.861  18.136  -2.568
   17    HA   LYS   2           HA       LYS   2  -7.984  17.219  -3.540
   18   1HB   LYS   2           H        LYS   2  -8.107  15.797  -0.847
   19   2HB   LYS   2           H        LYS   2  -6.680  15.778  -1.908
   20   1HG   LYS   2           H        LYS   2  -8.002  18.326  -0.867
   21   2HG   LYS   2           H        LYS   2  -6.600  17.541  -0.105
   22   1HD   LYS   2           H        LYS   2  -5.540  17.675  -2.514
   23   2HD   LYS   2           H        LYS   2  -6.774  18.926  -2.795
   24   1HE   LYS   2           H        LYS   2  -4.728  18.915  -0.528
   25   2HE   LYS   2           H        LYS   2  -4.633  19.904  -2.001
   26   1HZ   LYS   2           H        LYS   2  -6.683  20.953  -1.345
   27   2HZ   LYS   2           H        LYS   2  -6.750  20.049   0.032
   28   3HZ   LYS   2           H        LYS   2  -5.530  21.137  -0.180
   29    H    ARG   3           H        ARG   3  -8.053  14.149  -1.965
   30    HA   ARG   3           HA       ARG   3  -9.463  12.801  -4.173
   31   1HB   ARG   3           H        ARG   3  -6.838  13.155  -4.583
   32   2HB   ARG   3           H        ARG   3  -6.711  11.797  -3.443
   33   1HG   ARG   3           H        ARG   3  -6.986  10.496  -5.297
   34   2HG   ARG   3           H        ARG   3  -8.707  10.899  -5.124
   35   1HD   ARG   3           H        ARG   3  -6.638  12.229  -6.918
   36   2HD   ARG   3           H        ARG   3  -8.113  11.365  -7.405
   37    HE   ARG   3           H        ARG   3  -8.667  13.664  -5.709
   38   1HH1  ARG   3           H        ARG   3  -7.968  12.630  -9.028
   39   2HH1  ARG   3           H        ARG   3  -8.783  13.992  -9.760
   40   1HH2  ARG   3           H        ARG   3  -9.672  15.474  -6.668
   41   2HH2  ARG   3           H        ARG   3  -9.770  15.612  -8.412
   42    H    GLN   4           H        GLN   4 -10.276  10.775  -3.547
   43    HA   GLN   4           HA       GLN   4 -10.624  10.412  -0.720
   44   1HB   GLN   4           HB1      GLN   4 -12.338   9.819  -2.414
   45   2HB   GLN   4           HB2      GLN   4 -11.254   8.576  -3.077
   46   1HG   GLN   4           HG1      GLN   4 -12.978   7.638  -1.524
   47   2HG   GLN   4           HG2      GLN   4 -11.320   7.328  -0.980
   48   1HE2  GLN   4           HE21     GLN   4 -12.241   8.503   2.207
   49   2HE2  GLN   4           HE22     GLN   4 -11.613   7.198   1.223
   50    H    ALA   5           H        ALA   5  -9.793   8.808   0.648
   51    HA   ALA   5           HA       ALA   5  -7.083   8.021   0.150
   52   1HB   ALA   5           HB3      ALA   5  -8.023   8.508   2.397
   53   2HB   ALA   5           HB2      ALA   5  -9.061   7.068   2.265
   54   3HB   ALA   5           HB1      ALA   5  -7.290   6.888   2.323
   55    H    TRP   6           H        TRP   6  -6.471   5.602   0.647
   56    HA   TRP   6           HA       TRP   6  -7.401   4.040  -1.569
   57   1HB   TRP   6           HB2      TRP   6  -5.731   3.401   0.886
   58   2HB   TRP   6           HB1      TRP   6  -6.034   2.243  -0.410
   59    HD1  TRP   6           HD1      TRP   6  -5.322   5.835  -1.404
   60    HE1  TRP   6           HE1      TRP   6  -3.001   6.018  -2.500
   61    HE3  TRP   6           HE3      TRP   6  -3.606   1.114  -0.436
   62    HZ2  TRP   6           HZ2      TRP   6  -0.712   4.346  -2.869
   63    HZ3  TRP   6           HZ3      TRP   6  -1.346   0.448  -1.197
   64    HH2  TRP   6           HH2      TRP   6   0.081   2.048  -2.441
   65    H    LEU   7           H        LEU   7  -8.275   1.785  -1.341
   66    HA   LEU   7           HA       LEU   7 -10.685   1.838   0.281
   67   1HB   LEU   7           HB2      LEU   7  -9.436  -0.374  -1.403
   68   2HB   LEU   7           HB1      LEU   7 -11.085  -0.385  -0.745
   69    HG   LEU   7           HG       LEU   7 -10.020   1.747  -2.660
   70   1HD1  LEU   7           HD12     LEU   7 -10.101  -0.485  -3.730
   71   2HD1  LEU   7           HD11     LEU   7 -11.786  -0.682  -3.193
   72   3HD1  LEU   7           HD13     LEU   7 -11.370   0.582  -4.375
   73   1HD2  LEU   7           HD23     LEU   7 -12.778   1.076  -1.547
   74   2HD2  LEU   7           HD21     LEU   7 -11.870   2.593  -1.349
   75   3HD2  LEU   7           HD22     LEU   7 -12.518   2.150  -2.943
   76    H    TRP   8           H        TRP   8 -11.274  -0.045   1.696
   77    HA   TRP   8           HA       TRP   8  -9.494  -0.249   3.876
   78   1HB   TRP   8           HB1      TRP   8 -11.061  -1.879   4.744
   79   2HB   TRP   8           HB2      TRP   8 -11.955  -0.567   3.967
   80    HD1  TRP   8           HD1      TRP   8 -13.262  -1.137   1.735
   81    HE1  TRP   8           HE1      TRP   8 -14.118  -3.325   0.679
   82    HE3  TRP   8           HE3      TRP   8 -10.497  -4.474   4.450
   83    HZ2  TRP   8           HZ2      TRP   8 -13.663  -6.129   0.986
   84    HZ3  TRP   8           HZ3      TRP   8 -10.734  -6.905   4.035
   85    HH2  TRP   8           HH2      TRP   8 -12.312  -7.738   2.311
   86    H    GLU   9           H        GLU   9 -10.165  -2.524   1.169
   87    HA   GLU   9           HA       GLU   9  -8.462  -4.602   2.151
   88   1HB   GLU   9           H        GLU   9  -8.738  -5.561  -0.095
   89   2HB   GLU   9           H        GLU   9 -10.291  -4.979   0.541
   90   1HG   GLU   9           H        GLU   9  -9.779  -2.779  -0.745
   91   2HG   GLU   9           H        GLU   9  -8.532  -3.719  -1.589
   92    H    GLU  10           H        GLU  10  -7.933  -1.827  -0.063
   93    HA   GLU  10           HA       GLU  10  -5.318  -2.584  -0.908
   94   1HB   GLU  10           H        GLU  10  -6.694   0.117  -0.657
   95   2HB   GLU  10           H        GLU  10  -5.122  -0.129  -1.450
   96   1HG   GLU  10           H        GLU  10  -6.147  -1.720  -3.029
   97   2HG   GLU  10           H        GLU  10  -7.719  -1.519  -2.233
   98    H    ASP  11           H        ASP  11  -6.498  -0.551   1.825
   99    HA   ASP  11           HA       ASP  11  -3.925   0.176   2.810
  100   1HB   ASP  11           H        ASP  11  -5.953   1.323   3.517
  101   2HB   ASP  11           H        ASP  11  -6.608  -0.178   4.205
  102    H    LYS  12           H        LYS  12  -6.143  -2.541   3.630
  103    HA   LYS  12           HA       LYS  12  -4.550  -3.736   5.633
  104   1HB   LYS  12           H        LYS  12  -6.993  -4.225   4.770
  105   2HB   LYS  12           H        LYS  12  -6.184  -5.359   3.669
  106   1HG   LYS  12           H        LYS  12  -6.675  -6.693   5.560
  107   2HG   LYS  12           H        LYS  12  -4.975  -6.238   5.806
  108   1HD   LYS  12           H        LYS  12  -5.718  -5.603   7.879
  109   2HD   LYS  12           H        LYS  12  -6.216  -4.126   7.026
  110   1HE   LYS  12           H        LYS  12  -7.972  -6.577   7.514
  111   2HE   LYS  12           H        LYS  12  -8.055  -5.053   8.420
  112   1HZ   LYS  12           H        LYS  12  -8.597  -3.950   6.355
  113   2HZ   LYS  12           H        LYS  12  -8.578  -5.389   5.551
  114   3HZ   LYS  12           H        LYS  12  -9.703  -5.117   6.726
  115    H    ASN  13           H        ASN  13  -4.613  -4.215   2.081
  116    HA   ASN  13           HA       ASN  13  -2.715  -6.300   1.921
  117   1HB   ASN  13           HB2      ASN  13  -3.503  -4.058   0.024
  118   2HB   ASN  13           HB1      ASN  13  -2.327  -5.303  -0.417
  119   1HD2  ASN  13           HD21     ASN  13  -5.521  -6.545  -1.748
  120   2HD2  ASN  13           HD22     ASN  13  -4.299  -5.339  -2.105
  121    H    LEU  14           H        LEU  14  -2.291  -2.723   1.895
  122    HA   LEU  14           HA       LEU  14   0.506  -2.736   1.417
  123   1HB   LEU  14           HB2      LEU  14  -0.838  -0.727   1.144
  124   2HB   LEU  14           HB1      LEU  14  -1.314  -0.758   2.853
  125    HG   LEU  14           HG       LEU  14   1.075  -0.416   3.510
  126   1HD1  LEU  14           HD11     LEU  14   1.469  -0.162   0.499
  127   2HD1  LEU  14           HD12     LEU  14   2.675   0.297   1.718
  128   3HD1  LEU  14           HD13     LEU  14   2.182  -1.400   1.550
  129   1HD2  LEU  14           HD21     LEU  14  -0.046   1.611   1.527
  130   2HD2  LEU  14           HD22     LEU  14  -0.431   1.518   3.264
  131   3HD2  LEU  14           HD23     LEU  14   1.214   1.945   2.736
  132    H    ARG  15           H        ARG  15  -1.293  -2.391   4.530
  133    HA   ARG  15           HA       ARG  15   0.948  -2.360   6.225
  134   1HB   ARG  15           H        ARG  15  -1.899  -3.357   6.621
  135   2HB   ARG  15           H        ARG  15  -0.724  -3.215   7.950
  136   1HG   ARG  15           H        ARG  15  -0.678  -0.880   7.843
  137   2HG   ARG  15           H        ARG  15  -1.154  -0.841   6.130
  138   1HD   ARG  15           H        ARG  15  -3.007  -0.057   7.514
  139   2HD   ARG  15           H        ARG  15  -3.434  -1.610   6.762
  140    HE   ARG  15           H        ARG  15  -2.304  -2.195   9.275
  141   1HH1  ARG  15           H        ARG  15  -5.138  -0.545   7.919
  142   2HH1  ARG  15           H        ARG  15  -6.133  -0.823   9.337
  143   1HH2  ARG  15           H        ARG  15  -3.647  -2.607  11.105
  144   2HH2  ARG  15           H        ARG  15  -5.297  -2.028  11.132
  145    H    SER  16           H        SER  16  -1.031  -5.195   5.163
  146    HA   SER  16           HA       SER  16   0.425  -7.127   6.660
  147   1HB   SER  16           HB1      SER  16  -1.834  -7.490   5.722
  148   2HB   SER  16           HB2      SER  16  -1.165  -7.429   4.074
  149    HG   SER  16           HG       SER  16  -0.425  -9.279   6.105
  150    H    GLY  17           H        GLY  17   0.621  -6.324   3.135
  151   1HA   GLY  17           HA1      GLY  17   2.684  -8.104   2.479
  152   2HA   GLY  17           HA2      GLY  17   2.321  -6.593   1.620
  153    H    VAL  18           H        VAL  18   2.922  -4.667   3.552
  154    HA   VAL  18           HA       VAL  18   5.737  -4.468   3.263
  155    HB   VAL  18           HB       VAL  18   3.694  -3.020   4.979
  156   1HG1  VAL  18           HG12     VAL  18   6.705  -2.663   4.793
  157   2HG1  VAL  18           HG11     VAL  18   5.623  -1.326   5.228
  158   3HG1  VAL  18           HG13     VAL  18   5.693  -2.772   6.253
  159   1HG2  VAL  18           HG23     VAL  18   3.762  -2.775   2.438
  160   2HG2  VAL  18           HG21     VAL  18   3.999  -1.262   3.346
  161   3HG2  VAL  18           HG22     VAL  18   5.394  -2.096   2.626
  162    H    ARG  19           H        ARG  19   3.716  -5.448   6.091
  163    HA   ARG  19           HA       ARG  19   5.956  -5.694   7.871
  164   1HB   ARG  19           H        ARG  19   3.097  -6.704   7.882
  165   2HB   ARG  19           H        ARG  19   4.240  -7.106   9.187
  166   1HG   ARG  19           H        ARG  19   4.654  -4.708   9.594
  167   2HG   ARG  19           H        ARG  19   3.552  -4.277   8.264
  168   1HD   ARG  19           H        ARG  19   1.680  -5.369   9.448
  169   2HD   ARG  19           H        ARG  19   2.780  -5.839  10.766
  170    HE   ARG  19           H        ARG  19   2.860  -2.991  10.298
  171   1HH1  ARG  19           H        ARG  19   0.867  -5.556  11.710
  172   2HH1  ARG  19           H        ARG  19   0.164  -4.524  12.932
  173   1HH2  ARG  19           H        ARG  19   1.928  -1.633  11.913
  174   2HH2  ARG  19           H        ARG  19   0.758  -2.282  13.038
  175    H    LYS  20           H        LYS  20   5.170  -7.564   5.141
  176    HA   LYS  20           HA       LYS  20   6.344 -10.037   6.330
  177   1HB   LYS  20           H        LYS  20   4.632  -9.489   3.883
  178   2HB   LYS  20           H        LYS  20   5.499 -11.024   4.117
  179   1HG   LYS  20           H        LYS  20   4.278 -11.537   6.103
  180   2HG   LYS  20           H        LYS  20   3.662  -9.874   6.248
  181   1HD   LYS  20           H        LYS  20   1.940 -11.466   5.373
  182   2HD   LYS  20           H        LYS  20   2.303 -10.146   4.237
  183   1HE   LYS  20           H        LYS  20   3.668 -11.576   2.866
  184   2HE   LYS  20           H        LYS  20   3.678 -12.860   4.096
  185   1HZ   LYS  20           H        LYS  20   1.295 -11.923   2.653
  186   2HZ   LYS  20           H        LYS  20   2.152 -13.287   2.288
  187   3HZ   LYS  20           H        LYS  20   1.362 -13.171   3.729
  188    H    TYR  21           H        TYR  21   6.443  -8.081   3.285
  189    HA   TYR  21           HA       TYR  21   9.065  -9.285   2.650
  190   1HB   TYR  21           HB2      TYR  21   7.211  -7.468   1.079
  191   2HB   TYR  21           HB1      TYR  21   8.696  -8.205   0.463
  192    HD1  TYR  21           HD1      TYR  21   8.826 -10.861   0.771
  193    HD2  TYR  21           HD2      TYR  21   5.181  -8.572   0.690
  194    HE1  TYR  21           HE1      TYR  21   7.554 -12.905   0.152
  195    HE2  TYR  21           HE2      TYR  21   3.915 -10.615   0.067
  196    HH   TYR  21           HH       TYR  21   5.508 -13.775  -0.415
  197    H    GLY  22           H        GLY  22   7.759  -6.285   3.907
  198   1HA   GLY  22           HA1      GLY  22   9.241  -4.738   5.004
  199   2HA   GLY  22           HA2      GLY  22  10.511  -5.137   3.830
  200    H    GLU  23           H        GLU  23   9.493  -2.481   4.545
  201    HA   GLU  23           HA       GLU  23   7.842  -1.581   2.315
  202   1HB   GLU  23           H        GLU  23   8.465   0.723   3.342
  203   2HB   GLU  23           H        GLU  23   7.446  -0.374   4.290
  204   1HG   GLU  23           H        GLU  23   9.312  -1.054   5.672
  205   2HG   GLU  23           H        GLU  23  10.469  -0.210   4.622
  206    H    GLY  24           H        GLY  24   9.425  -2.615   0.764
  207   1HA   GLY  24           HA1      GLY  24  10.987  -0.543  -0.492
  208   2HA   GLY  24           HA2      GLY  24  12.027  -1.760   0.283
  209    H    ASN  25           H        ASN  25  10.418  -4.071  -0.085
  210    HA   ASN  25           HA       ASN  25  11.000  -4.636  -2.888
  211   1HB   ASN  25           HB2      ASN  25   9.780  -6.301  -0.645
  212   2HB   ASN  25           HB1      ASN  25  10.211  -6.921  -2.254
  213   1HD2  ASN  25           HD21     ASN  25  13.036  -6.628   0.628
  214   2HD2  ASN  25           HD22     ASN  25  11.314  -6.474   0.918
  215    H    TRP  26           H        TRP  26   9.317  -2.716  -3.269
  216    HA   TRP  26           HA       TRP  26   6.525  -3.309  -3.076
  217   1HB   TRP  26           HB2      TRP  26   7.935  -1.466  -5.026
  218   2HB   TRP  26           HB1      TRP  26   6.253  -1.372  -4.486
  219    HD1  TRP  26           HD1      TRP  26   9.415   0.225  -3.917
  220    HE1  TRP  26           HE1      TRP  26   9.536   1.510  -1.692
  221    HE3  TRP  26           HE3      TRP  26   5.327  -1.798  -1.594
  222    HZ2  TRP  26           HZ2      TRP  26   8.060   1.643   0.746
  223    HZ3  TRP  26           HZ3      TRP  26   4.709  -1.050   0.684
  224    HH2  TRP  26           HH2      TRP  26   6.065   0.664   1.862
  225    H    SER  27           H        SER  27   9.031  -4.029  -5.472
  226    HA   SER  27           HA       SER  27   7.501  -4.527  -7.747
  227   1HB   SER  27           HB1      SER  27   9.913  -6.132  -6.816
  228   2HB   SER  27           HB2      SER  27   9.373  -5.859  -8.491
  229    HG   SER  27           HG       SER  27   9.760  -3.624  -8.149
  230    H    LYS  28           H        LYS  28   8.434  -6.939  -5.190
  231    HA   LYS  28           HA       LYS  28   6.777  -8.967  -6.437
  232   1HB   LYS  28           H        LYS  28   7.479 -10.394  -4.632
  233   2HB   LYS  28           H        LYS  28   8.883  -9.460  -5.190
  234   1HG   LYS  28           H        LYS  28   8.346  -7.804  -3.300
  235   2HG   LYS  28           H        LYS  28   7.230  -9.033  -2.670
  236   1HD   LYS  28           H        LYS  28  10.226  -9.375  -3.158
  237   2HD   LYS  28           H        LYS  28   9.420  -9.249  -1.577
  238   1HE   LYS  28           H        LYS  28   8.068 -11.313  -2.222
  239   2HE   LYS  28           H        LYS  28   9.137 -11.484  -3.630
  240   1HZ   LYS  28           H        LYS  28  10.022 -11.451  -0.831
  241   2HZ   LYS  28           H        LYS  28   9.855 -12.799  -1.765
  242   3HZ   LYS  28           H        LYS  28  10.984 -11.661  -2.153
  243    H    ILE  29           H        ILE  29   6.373  -6.625  -3.754
  244    HA   ILE  29           HA       ILE  29   4.067  -7.762  -2.570
  245    HB   ILE  29           HB       ILE  29   5.121  -4.935  -2.838
  246   1HG1  ILE  29           HG12     ILE  29   4.601  -6.668  -0.388
  247   2HG1  ILE  29           HG11     ILE  29   6.128  -6.724  -1.294
  248   1HG2  ILE  29           HG21     ILE  29   2.537  -5.836  -1.489
  249   2HG2  ILE  29           HG23     ILE  29   3.315  -4.263  -1.210
  250   3HG2  ILE  29           HG22     ILE  29   2.693  -4.664  -2.821
  251   1HD1  ILE  29           HD12     ILE  29   6.330  -4.217  -0.938
  252   2HD1  ILE  29           HD13     ILE  29   4.931  -4.323   0.154
  253   3HD1  ILE  29           HD11     ILE  29   6.432  -5.186   0.548
  254    H    LEU  30           H        LEU  30   4.473  -5.756  -5.504
  255    HA   LEU  30           HA       LEU  30   1.758  -5.167  -6.009
  256   1HB   LEU  30           HB2      LEU  30   3.663  -4.132  -7.190
  257   2HB   LEU  30           HB1      LEU  30   4.060  -5.693  -7.939
  258    HG   LEU  30           HG       LEU  30   1.870  -5.707  -9.104
  259   1HD1  LEU  30           HD13     LEU  30   1.514  -3.110  -7.567
  260   2HD1  LEU  30           HD12     LEU  30   0.605  -3.448  -9.059
  261   3HD1  LEU  30           HD11     LEU  30   0.417  -4.508  -7.645
  262   1HD2  LEU  30           HD22     LEU  30   3.839  -4.661 -10.185
  263   2HD2  LEU  30           HD23     LEU  30   2.330  -3.842 -10.656
  264   3HD2  LEU  30           HD21     LEU  30   3.409  -3.099  -9.450
  265    H    LEU  31           H        LEU  31   3.624  -8.153  -6.482
  266    HA   LEU  31           HA       LEU  31   1.531  -9.368  -8.152
  267   1HB   LEU  31           HB2      LEU  31   4.147 -10.416  -6.991
  268   2HB   LEU  31           HB1      LEU  31   3.083 -11.343  -8.067
  269    HG   LEU  31           HG       LEU  31   4.282  -8.629  -8.795
  270   1HD1  LEU  31           HD13     LEU  31   6.062 -10.315  -8.461
  271   2HD1  LEU  31           HD11     LEU  31   5.208 -11.436  -9.547
  272   3HD1  LEU  31           HD12     LEU  31   5.876  -9.914 -10.185
  273   1HD2  LEU  31           HD22     LEU  31   2.797 -10.794 -10.348
  274   2HD2  LEU  31           HD23     LEU  31   2.312  -9.097 -10.113
  275   3HD2  LEU  31           HD21     LEU  31   3.711  -9.486 -11.133
  276    H    HIS  32           H        HIS  32   3.009  -9.918  -4.904
  277    HA   HIS  32           HA       HIS  32   1.313 -12.096  -4.209
  278   1HB   HIS  32           HB2      HIS  32   2.828 -10.086  -2.506
  279   2HB   HIS  32           HB1      HIS  32   2.059 -11.554  -1.876
  280    HD1  HIS  32           HD1      HIS  32   2.934 -13.874  -3.265
  281    HD2  HIS  32           HD2      HIS  32   5.446 -10.533  -3.142
  282    HE1  HIS  32           HE1      HIS  32   5.297 -14.665  -3.779
  283    H    TYR  33           H        TYR  33   0.910  -8.557  -3.873
  284    HA   TYR  33           HA       TYR  33  -1.803  -9.070  -2.719
  285   1HB   TYR  33           HB2      TYR  33   0.236  -6.901  -2.160
  286   2HB   TYR  33           HB1      TYR  33  -1.474  -6.740  -1.737
  287    HD1  TYR  33           HD2      TYR  33   1.646  -8.635  -1.052
  288    HD2  TYR  33           HD1      TYR  33  -2.447  -7.970   0.100
  289    HE1  TYR  33           HE2      TYR  33   2.023  -9.912   1.046
  290    HE2  TYR  33           HE1      TYR  33  -2.064  -9.234   2.200
  291    HH   TYR  33           HH       TYR  33  -0.390 -10.102   3.617
  292    H    LYS  34           H        LYS  34  -3.515  -8.102  -3.666
  293    HA   LYS  34           HA       LYS  34  -3.233  -7.105  -6.334
  294   1HB   LYS  34           H        LYS  34  -5.205  -8.367  -5.470
  295   2HB   LYS  34           H        LYS  34  -5.594  -7.003  -4.402
  296   1HG   LYS  34           H        LYS  34  -6.992  -6.619  -6.257
  297   2HG   LYS  34           H        LYS  34  -5.604  -5.574  -6.599
  298   1HD   LYS  34           H        LYS  34  -5.899  -6.669  -8.655
  299   2HD   LYS  34           H        LYS  34  -4.659  -7.677  -7.879
  300   1HE   LYS  34           H        LYS  34  -6.308  -9.180  -8.771
  301   2HE   LYS  34           H        LYS  34  -6.547  -9.157  -7.013
  302   1HZ   LYS  34           H        LYS  34  -8.099  -7.594  -8.959
  303   2HZ   LYS  34           H        LYS  34  -8.603  -8.985  -8.230
  304   3HZ   LYS  34           H        LYS  34  -8.343  -7.629  -7.329
  305    H    PHE  35           H        PHE  35  -3.003  -5.076  -7.088
  306    HA   PHE  35           HA       PHE  35  -3.759  -2.764  -5.437
  307   1HB   PHE  35           HB2      PHE  35  -0.927  -3.479  -6.214
  308   2HB   PHE  35           HB1      PHE  35  -1.415  -1.789  -6.057
  309    HD1  PHE  35           HD1      PHE  35  -2.910  -1.378  -3.790
  310    HD2  PHE  35           HD2      PHE  35   0.131  -4.383  -4.336
  311    HE1  PHE  35           HE1      PHE  35  -2.577  -1.493  -1.338
  312    HE2  PHE  35           HE2      PHE  35   0.459  -4.485  -1.880
  313    HZ   PHE  35           HZ       PHE  35  -0.891  -3.040  -0.391
  314    H    ASN  36           H        ASN  36  -4.992  -1.627  -6.799
  315    HA   ASN  36           HA       ASN  36  -4.594  -1.872  -9.707
  316   1HB   ASN  36           HB2      ASN  36  -6.702  -0.487  -7.997
  317   2HB   ASN  36           HB1      ASN  36  -6.715  -0.535  -9.773
  318   1HD2  ASN  36           HD22     ASN  36  -8.931  -3.283  -8.599
  319   2HD2  ASN  36           HD21     ASN  36  -8.902  -1.536  -8.507
  320    H    ASN  37           H        ASN  37  -3.172  -0.564 -10.671
  321    HA   ASN  37           HA       ASN  37  -1.921   1.272 -11.208
  322   1HB   ASN  37           HB1      ASN  37  -4.214   2.864  -9.987
  323   2HB   ASN  37           HB2      ASN  37  -3.029   3.432 -11.181
  324   1HD2  ASN  37           HD22     ASN  37  -6.375   1.423 -12.360
  325   2HD2  ASN  37           HD21     ASN  37  -6.059   1.842 -10.690
  326    H    ARG  38           H        ARG  38  -1.692   0.024  -8.474
  327    HA   ARG  38           HA       ARG  38  -0.403   2.336  -7.079
  328   1HB   ARG  38           H        ARG  38  -2.392   0.383  -6.181
  329   2HB   ARG  38           H        ARG  38  -0.911   0.288  -5.203
  330   1HG   ARG  38           H        ARG  38  -2.460   1.906  -4.227
  331   2HG   ARG  38           H        ARG  38  -1.006   2.731  -4.823
  332   1HD   ARG  38           H        ARG  38  -2.182   3.943  -6.336
  333   2HD   ARG  38           H        ARG  38  -3.118   2.536  -6.864
  334    HE   ARG  38           H        ARG  38  -3.903   4.535  -4.903
  335   1HH1  ARG  38           H        ARG  38  -4.660   1.472  -6.472
  336   2HH1  ARG  38           H        ARG  38  -5.992   1.078  -5.398
  337   1HH2  ARG  38           H        ARG  38  -5.760   4.090  -3.563
  338   2HH2  ARG  38           H        ARG  38  -6.636   2.581  -3.753
  339    H    THR  39           H        THR  39   1.780   2.137  -7.284
  340    HA   THR  39           HA       THR  39   3.047  -0.370  -6.551
  341    HB   THR  39           HB       THR  39   2.494  -0.889  -8.879
  342    HG1  THR  39           HG1      THR  39   4.632  -1.222  -9.582
  343   1HG2  THR  39           HG22     THR  39   2.270   1.450  -9.707
  344   2HG2  THR  39           HG21     THR  39   4.033   1.658  -9.566
  345   3HG2  THR  39           HG23     THR  39   3.364   0.492 -10.730
  346    H    SER  40           H        SER  40   5.285  -0.183  -6.233
  347    HA   SER  40           HA       SER  40   7.106   0.902  -5.386
  348   1HB   SER  40           HB2      SER  40   6.716   2.366  -8.027
  349   2HB   SER  40           HB1      SER  40   8.228   2.332  -7.083
  350    HG   SER  40           HG       SER  40   6.835   0.092  -8.151
  351    H    VAL  41           H        VAL  41   6.564   3.942  -6.971
  352    HA   VAL  41           HA       VAL  41   6.964   5.445  -4.659
  353    HB   VAL  41           HB       VAL  41   7.279   6.207  -7.012
  354   1HG1  VAL  41           HG13     VAL  41   5.069   5.276  -7.851
  355   2HG1  VAL  41           HG11     VAL  41   4.259   6.631  -7.029
  356   3HG1  VAL  41           HG12     VAL  41   5.406   6.949  -8.349
  357   1HG2  VAL  41           HG23     VAL  41   7.144   7.807  -5.090
  358   2HG2  VAL  41           HG22     VAL  41   6.577   8.517  -6.621
  359   3HG2  VAL  41           HG21     VAL  41   5.400   7.987  -5.397
  360    H    MET  42           H        MET  42   3.869   4.277  -6.055
  361    HA   MET  42           HA       MET  42   2.193   5.997  -4.495
  362   1HB   MET  42           HB2      MET  42   1.609   3.228  -5.626
  363   2HB   MET  42           HB1      MET  42   0.405   4.421  -5.101
  364   1HG   MET  42           HG2      MET  42   2.389   4.723  -7.392
  365   2HG   MET  42           HG1      MET  42   0.645   4.484  -7.538
  366   1HE   MET  42           HE2      MET  42  -1.164   6.199  -6.907
  367   2HE   MET  42           HE1      MET  42  -0.525   6.445  -5.264
  368   3HE   MET  42           HE3      MET  42  -0.857   7.846  -6.308
  369    H    LEU  43           H        LEU  43   3.256   2.587  -3.991
  370    HA   LEU  43           HA       LEU  43   1.933   2.240  -1.497
  371   1HB   LEU  43           HB2      LEU  43   4.406   0.916  -2.675
  372   2HB   LEU  43           HB1      LEU  43   3.542   0.337  -1.234
  373    HG   LEU  43           HG       LEU  43   1.969   0.813  -3.770
  374   1HD1  LEU  43           HD12     LEU  43   3.969  -0.500  -4.453
  375   2HD1  LEU  43           HD13     LEU  43   3.599  -1.692  -3.189
  376   3HD1  LEU  43           HD11     LEU  43   2.471  -1.453  -4.544
  377   1HD2  LEU  43           HD22     LEU  43   0.906   0.190  -1.571
  378   2HD2  LEU  43           HD21     LEU  43   0.601  -0.981  -2.868
  379   3HD2  LEU  43           HD23     LEU  43   1.812  -1.335  -1.614
  380    H    LYS  44           H        LYS  44   5.276   3.268  -2.317
  381    HA   LYS  44           HA       LYS  44   6.209   3.488   0.357
  382   1HB   LYS  44           H        LYS  44   7.626   3.448  -1.696
  383   2HB   LYS  44           H        LYS  44   7.024   5.067  -2.117
  384   1HG   LYS  44           H        LYS  44   7.989   6.011  -0.077
  385   2HG   LYS  44           H        LYS  44   8.438   4.392   0.500
  386   1HD   LYS  44           H        LYS  44  10.383   5.610  -0.475
  387   2HD   LYS  44           H        LYS  44  10.012   4.113  -1.359
  388   1HE   LYS  44           H        LYS  44  10.501   6.100  -2.841
  389   2HE   LYS  44           H        LYS  44   8.927   5.340  -3.140
  390   1HZ   LYS  44           H        LYS  44   9.354   7.739  -1.496
  391   2HZ   LYS  44           H        LYS  44   8.818   7.741  -3.055
  392   3HZ   LYS  44           H        LYS  44   7.898   7.058  -1.869
  393    H    ASP  45           H        ASP  45   4.638   5.880  -1.832
  394    HA   ASP  45           HA       ASP  45   4.926   8.139  -0.147
  395   1HB   ASP  45           H        ASP  45   4.334   8.345  -2.492
  396   2HB   ASP  45           H        ASP  45   2.828   7.437  -2.237
  397    H    ARG  46           H        ARG  46   2.188   5.785  -0.453
  398    HA   ARG  46           HA       ARG  46   0.614   7.091   1.558
  399   1HB   ARG  46           H        ARG  46  -0.459   5.599  -0.010
  400   2HB   ARG  46           H        ARG  46   0.588   4.242   0.482
  401   1HG   ARG  46           H        ARG  46  -0.383   4.191   2.696
  402   2HG   ARG  46           H        ARG  46  -1.243   5.722   2.417
  403   1HD   ARG  46           H        ARG  46  -2.642   4.664   0.724
  404   2HD   ARG  46           H        ARG  46  -1.721   3.155   0.867
  405    HE   ARG  46           H        ARG  46  -2.919   2.612   2.770
  406   1HH1  ARG  46           H        ARG  46  -3.431   6.026   1.954
  407   2HH1  ARG  46           H        ARG  46  -4.599   6.293   3.226
  408   1HH2  ARG  46           H        ARG  46  -4.351   3.014   4.539
  409   2HH2  ARG  46           H        ARG  46  -5.179   4.556   4.649
  410    H    TRP  47           H        TRP  47   2.981   4.378   1.649
  411    HA   TRP  47           HA       TRP  47   2.443   3.632   4.323
  412   1HB   TRP  47           HB2      TRP  47   3.707   2.291   2.654
  413   2HB   TRP  47           HB1      TRP  47   5.068   3.411   2.820
  414    HD1  TRP  47           HD1      TRP  47   6.830   2.563   4.408
  415    HE1  TRP  47           HE1      TRP  47   6.972   1.055   6.491
  416    HE3  TRP  47           HE3      TRP  47   1.870   1.434   4.916
  417    HZ2  TRP  47           HZ2      TRP  47   5.168  -0.423   8.146
  418    HZ3  TRP  47           HZ3      TRP  47   1.119  -0.032   6.761
  419    HH2  TRP  47           HH2      TRP  47   2.750  -0.970   8.375
  420    H    ARG  48           H        ARG  48   5.124   5.745   3.061
  421    HA   ARG  48           HA       ARG  48   6.212   6.260   5.612
  422   1HB   ARG  48           H        ARG  48   7.465   8.020   4.565
  423   2HB   ARG  48           H        ARG  48   7.319   6.685   3.410
  424   1HG   ARG  48           H        ARG  48   6.716   8.370   1.980
  425   2HG   ARG  48           H        ARG  48   5.122   8.098   2.701
  426   1HD   ARG  48           H        ARG  48   5.687  10.503   2.643
  427   2HD   ARG  48           H        ARG  48   5.514   9.937   4.307
  428    HE   ARG  48           H        ARG  48   8.114  10.464   2.921
  429   1HH1  ARG  48           H        ARG  48   6.386   9.775   5.954
  430   2HH1  ARG  48           H        ARG  48   7.516  10.668   6.946
  431   1HH2  ARG  48           H        ARG  48   9.629  11.573   4.266
  432   2HH2  ARG  48           H        ARG  48   9.438  11.546   6.003
  433    H    THR  49           H        THR  49   3.294   7.624   4.136
  434    HA   THR  49           HA       THR  49   3.293   9.900   5.994
  435    HB   THR  49           HB       THR  49   0.981  10.269   4.989
  436    HG1  THR  49           HG1      THR  49   1.318   8.889   2.792
  437   1HG2  THR  49           HG23     THR  49   3.026  11.421   4.186
  438   2HG2  THR  49           HG21     THR  49   3.353  10.065   3.083
  439   3HG2  THR  49           HG22     THR  49   1.907  11.074   2.846
  440    H    MET  50           H        MET  50   1.241   6.930   5.472
  441    HA   MET  50           HA       MET  50  -0.263   7.388   7.867
  442   1HB   MET  50           HB2      MET  50  -1.196   5.199   7.525
  443   2HB   MET  50           HB1      MET  50  -1.028   5.985   5.944
  444   1HG   MET  50           HG2      MET  50   0.403   4.419   5.195
  445   2HG   MET  50           HG1      MET  50   1.362   4.437   6.673
  446   1HE   MET  50           HE2      MET  50   1.101   2.902   8.658
  447   2HE   MET  50           HE1      MET  50  -0.517   3.568   8.982
  448   3HE   MET  50           HE3      MET  50  -0.273   1.808   8.942
  449    H    LYS  51           H        LYS  51   2.952   6.135   7.349
  450    HA   LYS  51           HA       LYS  51   3.253   4.438   9.591
  451   1HB   LYS  51           H        LYS  51   4.921   4.866   7.718
  452   2HB   LYS  51           H        LYS  51   5.300   6.416   8.493
  453   1HG   LYS  51           H        LYS  51   6.951   4.889   9.277
  454   2HG   LYS  51           H        LYS  51   5.805   5.052  10.624
  455   1HD   LYS  51           H        LYS  51   4.819   2.929  10.197
  456   2HD   LYS  51           H        LYS  51   5.491   2.845   8.552
  457   1HE   LYS  51           H        LYS  51   7.224   2.880  11.059
  458   2HE   LYS  51           H        LYS  51   6.645   1.379  10.306
  459   1HZ   LYS  51           H        LYS  51   8.270   3.418   8.944
  460   2HZ   LYS  51           H        LYS  51   8.851   2.013   9.577
  461   3HZ   LYS  51           H        LYS  51   7.795   1.967   8.311
  462    H    LYS  52           H        LYS  52   3.565   7.999   9.245
  463    HA   LYS  52           HA       LYS  52   3.981   8.364  12.124
  464   1HB   LYS  52           H        LYS  52   5.155   9.842  10.606
  465   2HB   LYS  52           H        LYS  52   3.649  10.268   9.762
  466   1HG   LYS  52           H        LYS  52   3.655  10.740  12.714
  467   2HG   LYS  52           H        LYS  52   4.752  11.771  11.769
  468   1HD   LYS  52           H        LYS  52   3.031  12.804  10.608
  469   2HD   LYS  52           H        LYS  52   1.963  11.389  10.719
  470   1HE   LYS  52           H        LYS  52   1.745  11.842  13.202
  471   2HE   LYS  52           H        LYS  52   2.630  13.362  12.938
  472   1HZ   LYS  52           H        LYS  52   0.113  12.606  11.610
  473   2HZ   LYS  52           H        LYS  52   0.240  13.638  12.894
  474   3HZ   LYS  52           H        LYS  52   0.913  14.044  11.446
  475    H    LEU  53           H        LEU  53   1.420   8.814   9.658
  476    HA   LEU  53           HA       LEU  53  -0.844   8.955   9.839
  477   1HB   LEU  53           HB1      LEU  53  -0.393   7.101  11.605
  478   2HB   LEU  53           HB2      LEU  53  -0.663   8.375  12.812
  479    HG   LEU  53           HG       LEU  53  -2.853   8.872  11.451
  480   1HD1  LEU  53           HD12     LEU  53  -2.241   5.995  10.608
  481   2HD1  LEU  53           HD13     LEU  53  -3.775   6.852  10.328
  482   3HD1  LEU  53           HD11     LEU  53  -2.289   7.405   9.525
  483   1HD2  LEU  53           HD22     LEU  53  -2.510   6.325  13.098
  484   2HD2  LEU  53           HD21     LEU  53  -2.806   7.961  13.741
  485   3HD2  LEU  53           HD23     LEU  53  -4.059   7.143  12.775
   
  No H/Q in entry =         485
  Start of MODEL   17
    1   1H    ARG   1           H3       ARG   1 -15.075  10.059  -4.061
    2   2H    ARG   1           H1       ARG   1 -16.688  10.226  -3.765
    3   3H    ARG   1           H2       ARG   1 -15.782   9.201  -2.845
    4    HA   ARG   1           HA       ARG   1 -15.376   7.769  -4.686
    5   1HB   ARG   1           H        ARG   1 -18.311   8.473  -4.250
    6   2HB   ARG   1           H        ARG   1 -17.735   7.007  -5.078
    7   1HG   ARG   1           H        ARG   1 -16.505   6.331  -3.028
    8   2HG   ARG   1           H        ARG   1 -17.088   7.794  -2.198
    9   1HD   ARG   1           H        ARG   1 -19.438   7.050  -2.595
   10   2HD   ARG   1           H        ARG   1 -18.824   5.555  -3.328
   11    HE   ARG   1           H        ARG   1 -18.899   6.253  -0.476
   12   1HH1  ARG   1           H        ARG   1 -17.376   4.214  -2.948
   13   2HH1  ARG   1           H        ARG   1 -17.005   2.916  -1.838
   14   1HH2  ARG   1           H        ARG   1 -18.424   4.525   0.972
   15   2HH2  ARG   1           H        ARG   1 -17.599   3.095   0.396
   16    H    LYS   2           H        LYS   2 -14.450   8.393  -6.604
   17    HA   LYS   2           HA       LYS   2 -16.205   9.051  -8.798
   18   1HB   LYS   2           H        LYS   2 -15.192  11.231  -9.383
   19   2HB   LYS   2           H        LYS   2 -16.055  11.305  -7.832
   20   1HG   LYS   2           H        LYS   2 -13.759  10.841  -6.725
   21   2HG   LYS   2           H        LYS   2 -13.050  11.212  -8.312
   22   1HD   LYS   2           H        LYS   2 -14.893  13.060  -6.722
   23   2HD   LYS   2           H        LYS   2 -13.123  13.210  -6.822
   24   1HE   LYS   2           H        LYS   2 -13.337  13.424  -9.324
   25   2HE   LYS   2           H        LYS   2 -15.104  13.430  -9.133
   26   1HZ   LYS   2           H        LYS   2 -14.888  15.380  -7.773
   27   2HZ   LYS   2           H        LYS   2 -13.249  15.381  -7.959
   28   3HZ   LYS   2           H        LYS   2 -14.227  15.636  -9.262
   29    H    ARG   3           H        ARG   3 -12.890   8.807  -7.473
   30    HA   ARG   3           HA       ARG   3 -12.070   7.474 -10.011
   31   1HB   ARG   3           H        ARG   3 -10.652   9.668  -8.459
   32   2HB   ARG   3           H        ARG   3  -9.768   8.546  -9.521
   33   1HG   ARG   3           H        ARG   3 -11.237   9.193 -11.419
   34   2HG   ARG   3           H        ARG   3 -12.091  10.341 -10.362
   35   1HD   ARG   3           H        ARG   3 -10.052  11.622 -10.010
   36   2HD   ARG   3           H        ARG   3  -9.089  10.422 -10.893
   37    HE   ARG   3           H        ARG   3 -10.773  12.527 -12.022
   38   1HH1  ARG   3           H        ARG   3  -9.324   9.342 -12.597
   39   2HH1  ARG   3           H        ARG   3  -9.244   9.543 -14.331
   40   1HH2  ARG   3           H        ARG   3 -10.666  12.778 -14.314
   41   2HH2  ARG   3           H        ARG   3 -10.035  11.488 -15.311
   42    H    GLN   4           H        GLN   4 -10.440   5.853  -9.734
   43    HA   GLN   4           HA       GLN   4 -10.664   4.466  -7.192
   44   1HB   GLN   4           HB1      GLN   4 -10.664   3.288  -9.375
   45   2HB   GLN   4           HB2      GLN   4  -9.013   3.868  -9.690
   46   1HG   GLN   4           HG2      GLN   4  -9.062   1.530  -8.814
   47   2HG   GLN   4           HG1      GLN   4  -8.164   2.630  -7.753
   48   1HE2  GLN   4           HE21     GLN   4 -11.749   0.959  -6.520
   49   2HE2  GLN   4           HE22     GLN   4 -11.305   0.976  -8.212
   50    H    ALA   5           H        ALA   5  -9.715   6.064  -5.779
   51    HA   ALA   5           HA       ALA   5  -6.870   6.699  -6.124
   52   1HB   ALA   5           HB1      ALA   5  -8.943   7.367  -3.993
   53   2HB   ALA   5           HB2      ALA   5  -7.245   7.898  -3.925
   54   3HB   ALA   5           HB3      ALA   5  -8.295   8.441  -5.255
   55    H    TRP   6           H        TRP   6  -8.329   5.799  -3.009
   56    HA   TRP   6           HA       TRP   6  -6.884   3.234  -2.902
   57   1HB   TRP   6           HB2      TRP   6  -6.123   5.730  -1.403
   58   2HB   TRP   6           HB1      TRP   6  -6.039   4.184  -0.551
   59    HD1  TRP   6           HD1      TRP   6  -4.453   6.051  -3.475
   60    HE1  TRP   6           HE1      TRP   6  -2.145   5.045  -4.017
   61    HE3  TRP   6           HE3      TRP   6  -4.573   2.021  -0.321
   62    HZ2  TRP   6           HZ2      TRP   6  -0.583   2.798  -3.199
   63    HZ3  TRP   6           HZ3      TRP   6  -2.635   0.474  -0.223
   64    HH2  TRP   6           HH2      TRP   6  -0.647   0.851  -1.660
   65    H    LEU   7           H        LEU   7  -7.502   2.030  -0.893
   66    HA   LEU   7           HA       LEU   7  -9.719   3.119   0.657
   67   1HB   LEU   7           HB2      LEU   7 -11.279   1.273   0.073
   68   2HB   LEU   7           HB1      LEU   7 -10.960   2.360  -1.293
   69    HG   LEU   7           HG       LEU   7  -9.143  -0.010  -1.060
   70   1HD1  LEU   7           HD12     LEU   7 -12.074  -0.242  -1.875
   71   2HD1  LEU   7           HD13     LEU   7 -10.840  -1.505  -2.095
   72   3HD1  LEU   7           HD11     LEU   7 -11.320  -1.006  -0.456
   73   1HD2  LEU   7           HD23     LEU   7 -10.706   1.290  -3.340
   74   2HD2  LEU   7           HD22     LEU   7  -8.997   1.584  -2.949
   75   3HD2  LEU   7           HD21     LEU   7  -9.513  -0.014  -3.523
   76    H    TRP   8           H        TRP   8 -10.498   1.482   2.272
   77    HA   TRP   8           HA       TRP   8  -8.487   0.739   3.989
   78   1HB   TRP   8           HB2      TRP   8 -10.943  -0.982   3.864
   79   2HB   TRP   8           HB1      TRP   8 -10.131  -0.274   5.267
   80    HD1  TRP   8           HD1      TRP   8 -10.855   2.129   6.001
   81    HE1  TRP   8           HE1      TRP   8 -12.846   3.668   5.440
   82    HE3  TRP   8           HE3      TRP   8 -12.585  -0.290   1.839
   83    HZ2  TRP   8           HZ2      TRP   8 -14.894   3.819   3.451
   84    HZ3  TRP   8           HZ3      TRP   8 -14.563   0.587   0.629
   85    HH2  TRP   8           HH2      TRP   8 -15.721   2.635   1.428
   86    H    GLU   9           H        GLU   9 -10.025  -1.357   1.495
   87    HA   GLU   9           HA       GLU   9  -8.850  -3.793   2.203
   88   1HB   GLU   9           H        GLU   9  -9.572  -2.654  -0.525
   89   2HB   GLU   9           H        GLU   9  -9.143  -4.356  -0.239
   90   1HG   GLU   9           H        GLU   9 -11.005  -4.583   1.354
   91   2HG   GLU   9           H        GLU   9 -11.420  -2.869   1.148
   92    H    GLU  10           H        GLU  10  -7.624  -1.487  -0.311
   93    HA   GLU  10           HA       GLU  10  -5.203  -2.813  -0.809
   94   1HB   GLU  10           H        GLU  10  -5.963   0.121  -0.977
   95   2HB   GLU  10           H        GLU  10  -4.414  -0.528  -1.560
   96   1HG   GLU  10           H        GLU  10  -5.736  -2.182  -2.959
   97   2HG   GLU  10           H        GLU  10  -7.203  -1.281  -2.515
   98    H    ASP  11           H        ASP  11  -5.910  -0.180   1.560
   99    HA   ASP  11           HA       ASP  11  -3.273   0.095   2.554
  100   1HB   ASP  11           H        ASP  11  -5.996   0.524   3.838
  101   2HB   ASP  11           H        ASP  11  -4.469   0.989   4.610
  102    H    LYS  12           H        LYS  12  -5.840  -2.265   3.341
  103    HA   LYS  12           HA       LYS  12  -4.619  -3.248   5.741
  104   1HB   LYS  12           H        LYS  12  -7.027  -3.535   5.057
  105   2HB   LYS  12           H        LYS  12  -6.490  -4.712   3.838
  106   1HG   LYS  12           H        LYS  12  -5.396  -6.036   5.686
  107   2HG   LYS  12           H        LYS  12  -6.116  -4.902   6.856
  108   1HD   LYS  12           H        LYS  12  -8.376  -5.473   6.033
  109   2HD   LYS  12           H        LYS  12  -7.667  -6.567   4.822
  110   1HE   LYS  12           H        LYS  12  -8.401  -7.908   6.703
  111   2HE   LYS  12           H        LYS  12  -6.625  -7.883   6.703
  112   1HZ   LYS  12           H        LYS  12  -8.351  -6.178   8.365
  113   2HZ   LYS  12           H        LYS  12  -7.554  -7.525   8.883
  114   3HZ   LYS  12           H        LYS  12  -6.703  -6.203   8.388
  115    H    ASN  13           H        ASN  13  -4.736  -4.679   2.385
  116    HA   ASN  13           HA       ASN  13  -2.863  -6.739   3.090
  117   1HB   ASN  13           HB2      ASN  13  -2.718  -7.153   0.658
  118   2HB   ASN  13           HB1      ASN  13  -4.386  -7.070   1.247
  119   1HD2  ASN  13           HD21     ASN  13  -2.918  -4.167  -1.315
  120   2HD2  ASN  13           HD22     ASN  13  -1.819  -5.170  -0.395
  121    H    LEU  14           H        LEU  14  -2.482  -3.373   2.122
  122    HA   LEU  14           HA       LEU  14   0.227  -3.496   1.236
  123   1HB   LEU  14           HB2      LEU  14  -1.209  -1.501   0.936
  124   2HB   LEU  14           HB1      LEU  14  -1.299  -1.290   2.691
  125    HG   LEU  14           HG       LEU  14   1.271  -1.105   2.664
  126   1HD1  LEU  14           HD13     LEU  14   0.692  -0.743  -0.309
  127   2HD1  LEU  14           HD11     LEU  14   2.242  -0.386   0.487
  128   3HD1  LEU  14           HD12     LEU  14   1.646  -2.059   0.416
  129   1HD2  LEU  14           HD21     LEU  14  -0.403   0.977   1.194
  130   2HD2  LEU  14           HD22     LEU  14  -0.214   0.838   2.959
  131   3HD2  LEU  14           HD23     LEU  14   1.183   1.273   1.947
  132    H    ARG  15           H        ARG  15  -1.263  -2.959   4.480
  133    HA   ARG  15           HA       ARG  15   1.140  -2.649   5.929
  134   1HB   ARG  15           H        ARG  15  -1.157  -2.163   6.771
  135   2HB   ARG  15           H        ARG  15  -1.483  -3.908   6.842
  136   1HG   ARG  15           H        ARG  15   0.250  -4.241   8.505
  137   2HG   ARG  15           H        ARG  15   0.827  -2.571   8.311
  138   1HD   ARG  15           H        ARG  15  -1.476  -1.789   9.061
  139   2HD   ARG  15           H        ARG  15  -1.848  -3.482   9.444
  140    HE   ARG  15           H        ARG  15  -0.488  -3.362  11.326
  141   1HH1  ARG  15           H        ARG  15   0.136  -0.577   9.220
  142   2HH1  ARG  15           H        ARG  15   1.013   0.318  10.439
  143   1HH2  ARG  15           H        ARG  15   0.682  -2.176  12.922
  144   2HH2  ARG  15           H        ARG  15   1.348  -0.606  12.540
  145    H    SER  16           H        SER  16  -0.829  -5.606   5.334
  146    HA   SER  16           HA       SER  16   0.808  -7.420   6.734
  147   1HB   SER  16           HB2      SER  16  -1.453  -7.953   5.927
  148   2HB   SER  16           HB1      SER  16  -0.899  -7.838   4.240
  149    HG   SER  16           HG       SER  16  -0.837  -9.978   4.830
  150    H    GLY  17           H        GLY  17   0.773  -6.760   3.179
  151   1HA   GLY  17           HA2      GLY  17   2.917  -8.430   2.503
  152   2HA   GLY  17           HA1      GLY  17   2.390  -7.008   1.584
  153    H    VAL  18           H        VAL  18   3.051  -4.837   2.967
  154    HA   VAL  18           HA       VAL  18   5.803  -4.584   2.524
  155    HB   VAL  18           HB       VAL  18   3.918  -2.945   4.262
  156   1HG1  VAL  18           HG11     VAL  18   6.781  -2.457   3.349
  157   2HG1  VAL  18           HG13     VAL  18   5.694  -1.148   3.859
  158   3HG1  VAL  18           HG12     VAL  18   6.146  -2.423   5.012
  159   1HG2  VAL  18           HG21     VAL  18   3.441  -3.143   1.777
  160   2HG2  VAL  18           HG22     VAL  18   3.814  -1.489   2.309
  161   3HG2  VAL  18           HG23     VAL  18   5.049  -2.455   1.469
  162    H    ARG  19           H        ARG  19   4.123  -5.082   5.701
  163    HA   ARG  19           HA       ARG  19   6.619  -4.995   7.140
  164   1HB   ARG  19           H        ARG  19   4.111  -4.602   7.916
  165   2HB   ARG  19           H        ARG  19   4.161  -6.352   8.235
  166   1HG   ARG  19           H        ARG  19   4.882  -5.367  10.277
  167   2HG   ARG  19           H        ARG  19   6.394  -5.857   9.478
  168   1HD   ARG  19           H        ARG  19   6.217  -3.402   8.434
  169   2HD   ARG  19           H        ARG  19   5.235  -3.103   9.881
  170    HE   ARG  19           H        ARG  19   7.384  -4.258  11.005
  171   1HH1  ARG  19           H        ARG  19   7.220  -1.817   8.436
  172   2HH1  ARG  19           H        ARG  19   8.701  -1.018   8.902
  173   1HH2  ARG  19           H        ARG  19   9.367  -3.228  11.589
  174   2HH2  ARG  19           H        ARG  19   9.943  -1.848  10.681
  175    H    LYS  20           H        LYS  20   4.647  -7.648   5.751
  176    HA   LYS  20           HA       LYS  20   6.067  -9.745   7.109
  177   1HB   LYS  20           H        LYS  20   3.789  -9.967   6.121
  178   2HB   LYS  20           H        LYS  20   4.502  -9.847   4.495
  179   1HG   LYS  20           H        LYS  20   5.857 -11.864   4.925
  180   2HG   LYS  20           H        LYS  20   5.215 -11.958   6.584
  181   1HD   LYS  20           H        LYS  20   2.885 -12.103   5.563
  182   2HD   LYS  20           H        LYS  20   3.667 -12.278   3.975
  183   1HE   LYS  20           H        LYS  20   4.088 -14.103   6.387
  184   2HE   LYS  20           H        LYS  20   3.101 -14.484   4.960
  185   1HZ   LYS  20           H        LYS  20   5.093 -14.286   3.631
  186   2HZ   LYS  20           H        LYS  20   5.998 -13.994   4.980
  187   3HZ   LYS  20           H        LYS  20   5.255 -15.453   4.786
  188    H    TYR  21           H        TYR  21   6.289  -8.477   3.719
  189    HA   TYR  21           HA       TYR  21   8.552 -10.172   3.111
  190   1HB   TYR  21           HB2      TYR  21   7.343  -7.760   1.710
  191   2HB   TYR  21           HB1      TYR  21   8.659  -8.743   1.045
  192    HD1  TYR  21           HD1      TYR  21   8.083 -11.440   1.252
  193    HD2  TYR  21           HD2      TYR  21   5.231  -8.239   0.830
  194    HE1  TYR  21           HE1      TYR  21   6.426 -13.036   0.320
  195    HE2  TYR  21           HE2      TYR  21   3.578  -9.838  -0.102
  196    HH   TYR  21           HH       TYR  21   4.328 -13.307  -0.557
  197    H    GLY  22           H        GLY  22   8.200  -6.602   3.666
  198   1HA   GLY  22           HA2      GLY  22  10.223  -6.072   5.341
  199   2HA   GLY  22           HA1      GLY  22  11.133  -6.354   3.839
  200    H    GLU  23           H        GLU  23  10.584  -3.871   5.541
  201    HA   GLU  23           HA       GLU  23   8.945  -2.124   3.931
  202   1HB   GLU  23           H        GLU  23   9.427  -1.848   6.387
  203   2HB   GLU  23           H        GLU  23  11.100  -1.412   5.967
  204   1HG   GLU  23           H        GLU  23  10.373   0.538   4.747
  205   2HG   GLU  23           H        GLU  23   8.676   0.020   4.809
  206    H    GLY  24           H        GLY  24   9.763  -2.517   1.809
  207   1HA   GLY  24           HA2      GLY  24  11.542  -0.637   0.779
  208   2HA   GLY  24           HA1      GLY  24  12.517  -2.093   1.096
  209    H    ASN  25           H        ASN  25  10.237  -3.947   0.658
  210    HA   ASN  25           HA       ASN  25  10.479  -4.203  -2.226
  211   1HB   ASN  25           HB2      ASN  25   8.769  -5.692  -0.187
  212   2HB   ASN  25           HB1      ASN  25   9.032  -6.187  -1.871
  213   1HD2  ASN  25           HD21     ASN  25  12.466  -7.197  -1.352
  214   2HD2  ASN  25           HD22     ASN  25  11.401  -6.463  -2.531
  215    H    TRP  26           H        TRP  26   8.856  -3.904  -3.792
  216    HA   TRP  26           HA       TRP  26   6.248  -2.818  -2.896
  217   1HB   TRP  26           HB2      TRP  26   8.027  -1.409  -4.918
  218   2HB   TRP  26           HB1      TRP  26   6.417  -0.902  -4.387
  219    HD1  TRP  26           HD1      TRP  26   9.903  -0.181  -3.810
  220    HE1  TRP  26           HE1      TRP  26  10.339   1.090  -1.613
  221    HE3  TRP  26           HE3      TRP  26   5.373  -0.915  -1.545
  222    HZ2  TRP  26           HZ2      TRP  26   8.916   1.696   0.786
  223    HZ3  TRP  26           HZ3      TRP  26   4.951   0.036   0.706
  224    HH2  TRP  26           HH2      TRP  26   6.712   1.339   1.873
  225    H    SER  27           H        SER  27   8.237  -3.355  -5.877
  226    HA   SER  27           HA       SER  27   6.054  -4.072  -7.538
  227   1HB   SER  27           HB2      SER  27   7.909  -5.184  -8.907
  228   2HB   SER  27           HB1      SER  27   8.141  -3.457  -8.535
  229    HG   SER  27           HG       SER  27  10.016  -4.728  -8.116
  230    H    LYS  28           H        LYS  28   8.350  -6.085  -5.636
  231    HA   LYS  28           HA       LYS  28   7.352  -8.621  -6.331
  232   1HB   LYS  28           H        LYS  28   9.446  -8.286  -5.110
  233   2HB   LYS  28           H        LYS  28   8.566  -7.602  -3.724
  234   1HG   LYS  28           H        LYS  28   7.494  -9.717  -3.259
  235   2HG   LYS  28           H        LYS  28   8.083 -10.418  -4.785
  236   1HD   LYS  28           H        LYS  28  10.377 -10.362  -4.010
  237   2HD   LYS  28           H        LYS  28   9.931  -9.391  -2.586
  238   1HE   LYS  28           H        LYS  28  10.262 -11.761  -1.970
  239   2HE   LYS  28           H        LYS  28   8.575 -11.265  -1.715
  240   1HZ   LYS  28           H        LYS  28   9.516 -12.644  -4.129
  241   2HZ   LYS  28           H        LYS  28   8.877 -13.421  -2.823
  242   3HZ   LYS  28           H        LYS  28   7.950 -12.356  -3.681
  243    H    ILE  29           H        ILE  29   6.319  -6.342  -3.744
  244    HA   ILE  29           HA       ILE  29   4.374  -8.066  -2.578
  245    HB   ILE  29           HB       ILE  29   4.312  -5.021  -2.687
  246   1HG1  ILE  29           HG11     ILE  29   5.914  -6.945  -0.947
  247   2HG1  ILE  29           HG12     ILE  29   6.536  -5.631  -1.966
  248   1HG2  ILE  29           HG22     ILE  29   2.308  -6.314  -1.786
  249   2HG2  ILE  29           HG21     ILE  29   3.383  -6.961  -0.528
  250   3HG2  ILE  29           HG23     ILE  29   3.066  -5.212  -0.621
  251   1HD1  ILE  29           HD13     ILE  29   5.255  -4.002  -0.516
  252   2HD1  ILE  29           HD11     ILE  29   4.883  -5.361   0.571
  253   3HD1  ILE  29           HD12     ILE  29   6.568  -4.862   0.323
  254    H    LEU  30           H        LEU  30   4.210  -5.619  -5.204
  255    HA   LEU  30           HA       LEU  30   1.421  -5.702  -5.647
  256   1HB   LEU  30           HB1      LEU  30   3.625  -4.406  -6.745
  257   2HB   LEU  30           HB2      LEU  30   3.075  -5.438  -8.081
  258    HG   LEU  30           HG       LEU  30   1.258  -3.571  -6.482
  259   1HD1  LEU  30           HD13     LEU  30   2.564  -3.218  -9.217
  260   2HD1  LEU  30           HD11     LEU  30   1.338  -2.135  -8.516
  261   3HD1  LEU  30           HD12     LEU  30   2.934  -2.285  -7.746
  262   1HD2  LEU  30           HD23     LEU  30   0.889  -5.214  -9.027
  263   2HD2  LEU  30           HD21     LEU  30   0.001  -5.382  -7.496
  264   3HD2  LEU  30           HD22     LEU  30  -0.237  -3.939  -8.503
  265    H    LEU  31           H        LEU  31   4.041  -7.889  -6.665
  266    HA   LEU  31           HA       LEU  31   2.518  -9.351  -8.601
  267   1HB   LEU  31           HB2      LEU  31   5.088  -9.270  -8.191
  268   2HB   LEU  31           HB1      LEU  31   4.781 -10.479  -6.925
  269    HG   LEU  31           HG       LEU  31   3.462 -11.763  -8.794
  270   1HD1  LEU  31           HD12     LEU  31   5.267  -9.939 -10.453
  271   2HD1  LEU  31           HD11     LEU  31   4.370 -11.345 -11.074
  272   3HD1  LEU  31           HD13     LEU  31   3.488  -9.930 -10.459
  273   1HD2  LEU  31           HD21     LEU  31   6.499 -11.481  -8.867
  274   2HD2  LEU  31           HD23     LEU  31   5.570 -12.543  -7.782
  275   3HD2  LEU  31           HD22     LEU  31   5.573 -12.848  -9.535
  276    H    HIS  32           H        HIS  32   3.077  -9.739  -5.076
  277    HA   HIS  32           HA       HIS  32   1.559 -12.233  -4.982
  278   1HB   HIS  32           HB2      HIS  32   2.662 -10.441  -2.783
  279   2HB   HIS  32           HB1      HIS  32   1.995 -12.069  -2.555
  280    HD1  HIS  32           HD1      HIS  32   3.316 -13.876  -4.439
  281    HD2  HIS  32           HD2      HIS  32   5.384 -10.604  -2.852
  282    HE1  HIS  32           HE1      HIS  32   5.805 -14.353  -4.667
  283    H    TYR  33           H        TYR  33   1.124  -9.129  -3.165
  284    HA   TYR  33           HA       TYR  33  -1.727  -9.718  -2.858
  285   1HB   TYR  33           HB2      TYR  33   0.128  -7.508  -1.935
  286   2HB   TYR  33           HB1      TYR  33  -1.625  -7.418  -1.701
  287    HD1  TYR  33           HD1      TYR  33  -2.776  -9.357  -0.444
  288    HD2  TYR  33           HD2      TYR  33   1.480  -8.691  -0.389
  289    HE1  TYR  33           HE1      TYR  33  -2.590 -10.708   1.632
  290    HE2  TYR  33           HE2      TYR  33   1.661 -10.052   1.683
  291    HH   TYR  33           HH       TYR  33   0.536 -11.222   3.296
  292    H    LYS  34           H        LYS  34  -3.430  -8.589  -3.775
  293    HA   LYS  34           HA       LYS  34  -2.820  -7.321  -6.338
  294   1HB   LYS  34           H        LYS  34  -4.611  -9.007  -6.145
  295   2HB   LYS  34           H        LYS  34  -5.439  -8.006  -4.932
  296   1HG   LYS  34           H        LYS  34  -6.505  -7.696  -7.112
  297   2HG   LYS  34           H        LYS  34  -5.690  -6.189  -6.643
  298   1HD   LYS  34           H        LYS  34  -3.813  -6.682  -8.121
  299   2HD   LYS  34           H        LYS  34  -4.456  -8.304  -8.469
  300   1HE   LYS  34           H        LYS  34  -6.401  -7.346  -9.581
  301   2HE   LYS  34           H        LYS  34  -5.923  -5.704  -9.096
  302   1HZ   LYS  34           H        LYS  34  -4.399  -7.468 -10.885
  303   2HZ   LYS  34           H        LYS  34  -5.319  -6.182 -11.354
  304   3HZ   LYS  34           H        LYS  34  -3.968  -5.939 -10.439
  305    H    PHE  35           H        PHE  35  -3.182  -5.207  -6.887
  306    HA   PHE  35           HA       PHE  35  -4.292  -3.360  -4.833
  307   1HB   PHE  35           HB2      PHE  35  -1.743  -3.011  -6.459
  308   2HB   PHE  35           HB1      PHE  35  -2.533  -1.723  -5.542
  309    HD1  PHE  35           HD2      PHE  35  -0.683  -4.920  -5.262
  310    HD2  PHE  35           HD1      PHE  35  -2.317  -1.541  -3.159
  311    HE1  PHE  35           HE2      PHE  35   0.607  -5.557  -3.242
  312    HE2  PHE  35           HE1      PHE  35  -1.026  -2.179  -1.139
  313    HZ   PHE  35           HZ       PHE  35   0.440  -4.185  -1.176
  314    H    ASN  36           H        ASN  36  -4.641  -1.111  -6.006
  315    HA   ASN  36           HA       ASN  36  -5.869  -1.709  -8.672
  316   1HB   ASN  36           HB2      ASN  36  -6.622   0.347  -6.558
  317   2HB   ASN  36           HB1      ASN  36  -7.405   0.159  -8.138
  318   1HD2  ASN  36           HD21     ASN  36  -8.815  -1.949  -5.081
  319   2HD2  ASN  36           HD22     ASN  36  -7.876  -0.467  -4.973
  320    H    ASN  37           H        ASN  37  -4.675  -0.927 -10.291
  321    HA   ASN  37           HA       ASN  37  -3.094   0.313 -11.408
  322   1HB   ASN  37           HB1      ASN  37  -3.785   2.713 -11.650
  323   2HB   ASN  37           HB2      ASN  37  -5.092   1.543 -11.902
  324   1HD2  ASN  37           HD21     ASN  37  -5.211   4.182  -8.725
  325   2HD2  ASN  37           HD22     ASN  37  -3.701   3.865  -9.560
  326    H    ARG  38           H        ARG  38  -1.979  -0.440  -8.985
  327    HA   ARG  38           HA       ARG  38  -0.709   1.931  -7.790
  328   1HB   ARG  38           H        ARG  38  -1.149  -0.856  -7.087
  329   2HB   ARG  38           H        ARG  38   0.573  -0.465  -6.958
  330   1HG   ARG  38           H        ARG  38  -0.401   0.035  -4.824
  331   2HG   ARG  38           H        ARG  38  -0.090   1.596  -5.611
  332   1HD   ARG  38           H        ARG  38  -2.765   0.341  -6.104
  333   2HD   ARG  38           H        ARG  38  -2.463   0.949  -4.466
  334    HE   ARG  38           H        ARG  38  -1.701   2.912  -6.415
  335   1HH1  ARG  38           H        ARG  38  -4.520   1.379  -4.911
  336   2HH1  ARG  38           H        ARG  38  -5.523   2.817  -5.034
  337   1HH2  ARG  38           H        ARG  38  -3.126   4.694  -6.815
  338   2HH2  ARG  38           H        ARG  38  -4.745   4.679  -6.142
  339    H    THR  39           H        THR  39   1.732   1.949  -7.609
  340    HA   THR  39           HA       THR  39   3.089   0.703  -9.931
  341    HB   THR  39           HB       THR  39   3.220   3.684  -9.276
  342    HG1  THR  39           HG1      THR  39   2.178   3.839 -11.310
  343   1HG2  THR  39           HG22     THR  39   4.469   1.997 -11.494
  344   2HG2  THR  39           HG21     THR  39   4.535   3.773 -11.393
  345   3HG2  THR  39           HG23     THR  39   5.345   2.783 -10.159
  346    H    SER  40           H        SER  40   4.291   3.316  -7.792
  347    HA   SER  40           HA       SER  40   5.741   1.391  -6.101
  348   1HB   SER  40           HB1      SER  40   7.151   3.385  -7.932
  349   2HB   SER  40           HB2      SER  40   7.935   2.462  -6.628
  350    HG   SER  40           HG       SER  40   8.130   1.447  -8.678
  351    H    VAL  41           H        VAL  41   5.884   4.872  -7.064
  352    HA   VAL  41           HA       VAL  41   6.421   5.898  -4.503
  353    HB   VAL  41           HB       VAL  41   4.927   7.143  -6.855
  354   1HG1  VAL  41           HG12     VAL  41   6.175   8.373  -4.358
  355   2HG1  VAL  41           HG13     VAL  41   5.700   9.306  -5.796
  356   3HG1  VAL  41           HG11     VAL  41   4.467   8.442  -4.851
  357   1HG2  VAL  41           HG22     VAL  41   7.852   7.231  -5.983
  358   2HG2  VAL  41           HG21     VAL  41   7.210   6.388  -7.412
  359   3HG2  VAL  41           HG23     VAL  41   7.152   8.162  -7.327
  360    H    MET  42           H        MET  42   3.318   5.125  -6.095
  361    HA   MET  42           HA       MET  42   1.534   6.313  -4.289
  362   1HB   MET  42           HB1      MET  42   1.424   3.851  -6.057
  363   2HB   MET  42           HB2      MET  42   0.063   4.259  -4.991
  364   1HG   MET  42           HG1      MET  42  -0.424   5.259  -7.093
  365   2HG   MET  42           HG2      MET  42   0.062   6.574  -6.016
  366   1HE   MET  42           HE3      MET  42   2.386   7.778  -6.091
  367   2HE   MET  42           HE2      MET  42   2.807   8.329  -7.728
  368   3HE   MET  42           HE1      MET  42   1.135   8.481  -7.140
  369    H    LEU  43           H        LEU  43   3.292   3.196  -4.083
  370    HA   LEU  43           HA       LEU  43   1.902   2.389  -1.653
  371   1HB   LEU  43           HB2      LEU  43   4.398   1.285  -3.017
  372   2HB   LEU  43           HB1      LEU  43   3.515   0.516  -1.683
  373    HG   LEU  43           HG       LEU  43   1.473   0.982  -3.489
  374   1HD1  LEU  43           HD13     LEU  43   3.998   0.250  -5.044
  375   2HD1  LEU  43           HD12     LEU  43   2.343   0.140  -5.682
  376   3HD1  LEU  43           HD11     LEU  43   3.023   1.722  -5.252
  377   1HD2  LEU  43           HD21     LEU  43   3.293  -1.461  -3.305
  378   2HD2  LEU  43           HD23     LEU  43   1.911  -1.108  -2.241
  379   3HD2  LEU  43           HD22     LEU  43   1.640  -1.448  -3.965
  380    H    LYS  44           H        LYS  44   5.116   3.769  -2.521
  381    HA   LYS  44           HA       LYS  44   6.318   3.575   0.030
  382   1HB   LYS  44           H        LYS  44   6.675   5.731  -2.098
  383   2HB   LYS  44           H        LYS  44   7.776   5.416  -0.741
  384   1HG   LYS  44           H        LYS  44   7.498   2.901  -1.885
  385   2HG   LYS  44           H        LYS  44   7.474   3.967  -3.299
  386   1HD   LYS  44           H        LYS  44   9.597   3.982  -1.103
  387   2HD   LYS  44           H        LYS  44   9.791   3.258  -2.716
  388   1HE   LYS  44           H        LYS  44   9.204   6.211  -2.189
  389   2HE   LYS  44           H        LYS  44  10.809   5.540  -2.542
  390   1HZ   LYS  44           H        LYS  44   9.940   4.773  -4.642
  391   2HZ   LYS  44           H        LYS  44   8.473   5.453  -4.316
  392   3HZ   LYS  44           H        LYS  44   9.802   6.410  -4.497
  393    H    ASP  45           H        ASP  45   4.630   6.416  -1.431
  394    HA   ASP  45           HA       ASP  45   4.764   8.080   0.838
  395   1HB   ASP  45           H        ASP  45   2.671   7.921  -1.374
  396   2HB   ASP  45           H        ASP  45   2.853   9.277  -0.243
  397    H    ARG  46           H        ARG  46   2.244   5.721  -0.167
  398    HA   ARG  46           HA       ARG  46   0.371   6.308   1.862
  399   1HB   ARG  46           H        ARG  46   0.962   4.005   0.043
  400   2HB   ARG  46           H        ARG  46  -0.088   3.686   1.441
  401   1HG   ARG  46           H        ARG  46  -0.632   6.177  -0.141
  402   2HG   ARG  46           H        ARG  46  -1.057   4.625  -0.888
  403   1HD   ARG  46           H        ARG  46  -2.538   4.037   0.862
  404   2HD   ARG  46           H        ARG  46  -1.856   5.252   1.964
  405    HE   ARG  46           H        ARG  46  -2.879   6.679  -0.214
  406   1HH1  ARG  46           H        ARG  46  -4.197   4.288   2.041
  407   2HH1  ARG  46           H        ARG  46  -5.737   5.107   2.216
  408   1HH2  ARG  46           H        ARG  46  -4.879   7.807   0.095
  409   2HH2  ARG  46           H        ARG  46  -6.137   7.096   1.082
  410    H    TRP  47           H        TRP  47   2.831   3.632   1.808
  411    HA   TRP  47           HA       TRP  47   2.282   2.788   4.452
  412   1HB   TRP  47           HB2      TRP  47   3.549   1.471   2.803
  413   2HB   TRP  47           HB1      TRP  47   4.877   2.640   2.878
  414    HD1  TRP  47           HD1      TRP  47   6.772   1.787   4.296
  415    HE1  TRP  47           HE1      TRP  47   7.096   0.359   6.420
  416    HE3  TRP  47           HE3      TRP  47   1.868   0.713   5.290
  417    HZ2  TRP  47           HZ2      TRP  47   5.437  -1.032   8.282
  418    HZ3  TRP  47           HZ3      TRP  47   1.285  -0.661   7.262
  419    HH2  TRP  47           HH2      TRP  47   3.057  -1.541   8.759
  420    H    ARG  48           H        ARG  48   4.722   5.115   3.207
  421    HA   ARG  48           HA       ARG  48   6.127   5.655   5.535
  422   1HB   ARG  48           H        ARG  48   6.854   6.594   3.463
  423   2HB   ARG  48           H        ARG  48   5.294   7.395   3.189
  424   1HG   ARG  48           H        ARG  48   6.988   9.034   3.888
  425   2HG   ARG  48           H        ARG  48   5.718   8.900   5.119
  426   1HD   ARG  48           H        ARG  48   7.181   7.367   6.435
  427   2HD   ARG  48           H        ARG  48   8.436   7.510   5.190
  428    HE   ARG  48           H        ARG  48   9.030   9.574   6.047
  429   1HH1  ARG  48           H        ARG  48   5.837   8.642   7.308
  430   2HH1  ARG  48           H        ARG  48   5.749   9.985   8.427
  431   1HH2  ARG  48           H        ARG  48   8.888  11.336   7.528
  432   2HH2  ARG  48           H        ARG  48   7.484  11.515   8.554
  433    H    THR  49           H        THR  49   2.992   7.071   4.475
  434    HA   THR  49           HA       THR  49   2.875   8.789   6.841
  435    HB   THR  49           HB       THR  49   0.731   8.230   4.750
  436    HG1  THR  49           HG1      THR  49   2.517   8.915   3.653
  437   1HG2  THR  49           HG22     THR  49   1.305  10.589   6.601
  438   2HG2  THR  49           HG21     THR  49   0.025  10.542   5.364
  439   3HG2  THR  49           HG23     THR  49  -0.042   9.436   6.756
  440    H    MET  50           H        MET  50   0.929   6.043   5.542
  441    HA   MET  50           HA       MET  50  -0.948   5.916   7.607
  442   1HB   MET  50           HB1      MET  50  -0.856   4.734   5.311
  443   2HB   MET  50           HB2      MET  50   0.107   3.486   6.133
  444   1HG   MET  50           HG1      MET  50  -1.902   3.661   7.908
  445   2HG   MET  50           HG2      MET  50  -2.777   4.250   6.488
  446   1HE   MET  50           HE1      MET  50  -1.246   1.311   8.395
  447   2HE   MET  50           HE2      MET  50  -1.041   0.037   7.173
  448   3HE   MET  50           HE3      MET  50  -0.007   1.481   7.130
  449    H    LYS  51           H        LYS  51   2.324   4.375   7.456
  450    HA   LYS  51           HA       LYS  51   1.824   2.710   9.751
  451   1HB   LYS  51           H        LYS  51   4.001   1.937   9.478
  452   2HB   LYS  51           H        LYS  51   3.554   2.432   7.833
  453   1HG   LYS  51           H        LYS  51   4.695   4.646   8.252
  454   2HG   LYS  51           H        LYS  51   5.234   4.019   9.829
  455   1HD   LYS  51           H        LYS  51   6.164   2.000   8.446
  456   2HD   LYS  51           H        LYS  51   6.022   3.096   7.052
  457   1HE   LYS  51           H        LYS  51   7.517   3.760   9.626
  458   2HE   LYS  51           H        LYS  51   8.288   3.126   8.157
  459   1HZ   LYS  51           H        LYS  51   6.749   5.621   8.302
  460   2HZ   LYS  51           H        LYS  51   8.396   5.517   8.317
  461   3HZ   LYS  51           H        LYS  51   7.552   5.037   6.984
  462    H    LYS  52           H        LYS  52   2.051   6.058   9.705
  463    HA   LYS  52           HA       LYS  52   3.812   6.405  11.984
  464   1HB   LYS  52           H        LYS  52   3.629   8.307  10.594
  465   2HB   LYS  52           H        LYS  52   1.865   8.161  10.470
  466   1HG   LYS  52           H        LYS  52   2.499  10.060  11.916
  467   2HG   LYS  52           H        LYS  52   1.601   8.830  12.819
  468   1HD   LYS  52           H        LYS  52   4.010   7.903  13.417
  469   2HD   LYS  52           H        LYS  52   4.548   9.523  12.936
  470   1HE   LYS  52           H        LYS  52   4.142   9.507  15.336
  471   2HE   LYS  52           H        LYS  52   2.889  10.496  14.556
  472   1HZ   LYS  52           H        LYS  52   2.473   7.656  15.180
  473   2HZ   LYS  52           H        LYS  52   2.143   8.853  16.269
  474   3HZ   LYS  52           H        LYS  52   1.336   8.804  14.831
  475    H    LEU  53           H        LEU  53   0.225   6.434  11.516
  476    HA   LEU  53           HA       LEU  53  -1.504   6.318  13.020
  477   1HB   LEU  53           HB2      LEU  53   0.501   4.409  14.293
  478   2HB   LEU  53           HB1      LEU  53  -1.141   4.645  14.929
  479    HG   LEU  53           HG       LEU  53  -1.618   4.271  12.219
  480   1HD1  LEU  53           HD11     LEU  53   0.767   3.649  11.885
  481   2HD1  LEU  53           HD13     LEU  53   0.590   2.352  13.085
  482   3HD1  LEU  53           HD12     LEU  53  -0.324   2.287  11.559
  483   1HD2  LEU  53           HD23     LEU  53  -1.499   2.184  14.443
  484   2HD2  LEU  53           HD22     LEU  53  -2.869   3.266  14.093
  485   3HD2  LEU  53           HD21     LEU  53  -2.400   2.017  12.917
   
  No H/Q in entry =         485
  Start of MODEL   18
    1   1H    ARG   1           H3       ARG   1  -3.531  13.405  -8.329
    2   2H    ARG   1           H1       ARG   1  -4.834  14.417  -8.329
    3   3H    ARG   1           H2       ARG   1  -3.336  15.001  -8.695
    4    HA   ARG   1           HA       ARG   1  -2.547  14.548  -6.499
    5   1HB   ARG   1           H        ARG   1  -4.983  16.300  -6.891
    6   2HB   ARG   1           H        ARG   1  -4.225  16.159  -5.288
    7   1HG   ARG   1           H        ARG   1  -2.501  16.736  -7.708
    8   2HG   ARG   1           H        ARG   1  -3.433  18.050  -6.956
    9   1HD   ARG   1           H        ARG   1  -2.387  17.555  -4.766
   10   2HD   ARG   1           H        ARG   1  -1.476  16.219  -5.495
   11    HE   ARG   1           H        ARG   1   0.016  17.731  -6.421
   12   1HH1  ARG   1           H        ARG   1  -2.890  19.448  -5.327
   13   2HH1  ARG   1           H        ARG   1  -2.178  21.035  -5.498
   14   1HH2  ARG   1           H        ARG   1   0.946  19.830  -6.634
   15   2HH2  ARG   1           H        ARG   1   0.001  21.253  -6.262
   16    H    LYS   2           H        LYS   2  -6.095  14.676  -6.011
   17    HA   LYS   2           HA       LYS   2  -7.487  13.445  -4.694
   18   1HB   LYS   2           H        LYS   2  -5.696  11.292  -5.851
   19   2HB   LYS   2           H        LYS   2  -6.978  10.884  -4.693
   20   1HG   LYS   2           H        LYS   2  -7.579  12.624  -7.105
   21   2HG   LYS   2           H        LYS   2  -7.536  10.854  -7.259
   22   1HD   LYS   2           H        LYS   2  -9.162  12.167  -5.058
   23   2HD   LYS   2           H        LYS   2  -9.823  12.013  -6.701
   24   1HE   LYS   2           H        LYS   2  -9.905   9.692  -6.605
   25   2HE   LYS   2           H        LYS   2  -8.576   9.583  -5.435
   26   1HZ   LYS   2           H        LYS   2 -11.262  10.593  -4.813
   27   2HZ   LYS   2           H        LYS   2 -10.733   9.065  -4.491
   28   3HZ   LYS   2           H        LYS   2 -10.027  10.354  -3.741
   29    H    ARG   3           H        ARG   3  -7.056  14.422  -2.728
   30    HA   ARG   3           HA       ARG   3  -4.846  14.058  -1.066
   31   1HB   ARG   3           H        ARG   3  -7.777  14.550  -0.397
   32   2HB   ARG   3           H        ARG   3  -6.457  14.662   0.790
   33   1HG   ARG   3           H        ARG   3  -5.332  16.354  -0.699
   34   2HG   ARG   3           H        ARG   3  -6.763  16.316  -1.757
   35   1HD   ARG   3           H        ARG   3  -8.191  17.025   0.127
   36   2HD   ARG   3           H        ARG   3  -6.780  17.022   1.210
   37    HE   ARG   3           H        ARG   3  -6.281  18.703  -1.062
   38   1HH1  ARG   3           H        ARG   3  -8.168  18.548   1.931
   39   2HH1  ARG   3           H        ARG   3  -8.192  20.279   2.167
   40   1HH2  ARG   3           H        ARG   3  -6.320  20.991  -0.747
   41   2HH2  ARG   3           H        ARG   3  -7.147  21.673   0.634
   42    H    GLN   4           H        GLN   4  -7.799  12.017  -1.356
   43    HA   GLN   4           HA       GLN   4  -6.329   9.807  -0.114
   44   1HB   GLN   4           HB1      GLN   4  -8.113   9.407   1.585
   45   2HB   GLN   4           HB2      GLN   4  -7.220  10.918   1.865
   46   1HG   GLN   4           HG2      GLN   4  -9.034  12.212   0.805
   47   2HG   GLN   4           HG1      GLN   4  -9.916  10.712   0.448
   48   1HE2  GLN   4           HE22     GLN   4  -9.637  12.007   4.394
   49   2HE2  GLN   4           HE21     GLN   4  -8.363  12.382   3.255
   50    H    ALA   5           H        ALA   5  -7.439   7.769  -0.310
   51    HA   ALA   5           HA       ALA   5  -9.908   7.439  -1.707
   52   1HB   ALA   5           HB3      ALA   5  -8.553   8.304  -3.616
   53   2HB   ALA   5           HB1      ALA   5  -7.374   7.004  -3.357
   54   3HB   ALA   5           HB2      ALA   5  -9.038   6.615  -3.861
   55    H    TRP   6           H        TRP   6  -8.138   5.063  -3.062
   56    HA   TRP   6           HA       TRP   6  -7.642   2.898  -2.573
   57   1HB   TRP   6           HB2      TRP   6  -6.975   4.115   0.130
   58   2HB   TRP   6           HB1      TRP   6  -6.666   2.433  -0.287
   59    HD1  TRP   6           HD1      TRP   6  -5.835   5.756  -2.103
   60    HE1  TRP   6           HE1      TRP   6  -3.353   5.746  -2.783
   61    HE3  TRP   6           HE3      TRP   6  -4.515   1.195  -0.209
   62    HZ2  TRP   6           HZ2      TRP   6  -1.105   4.001  -2.511
   63    HZ3  TRP   6           HZ3      TRP   6  -2.182   0.394  -0.441
   64    HH2  TRP   6           HH2      TRP   6  -0.481   1.798  -1.570
   65    H    LEU   7           H        LEU   7  -8.107   1.052  -0.846
   66    HA   LEU   7           HA       LEU   7 -10.945   1.343   0.054
   67   1HB   LEU   7           HB1      LEU   7  -9.521  -1.103  -1.083
   68   2HB   LEU   7           HB2      LEU   7 -11.185  -1.077  -0.464
   69    HG   LEU   7           HG       LEU   7 -10.218   0.694  -2.757
   70   1HD1  LEU   7           HD13     LEU   7 -11.690  -1.977  -2.841
   71   2HD1  LEU   7           HD11     LEU   7 -11.360  -0.928  -4.241
   72   3HD1  LEU   7           HD12     LEU   7 -10.013  -1.695  -3.366
   73   1HD2  LEU   7           HD21     LEU   7 -12.965  -0.066  -1.663
   74   2HD2  LEU   7           HD23     LEU   7 -12.223   1.551  -1.667
   75   3HD2  LEU   7           HD22     LEU   7 -12.708   0.794  -3.199
   76    H    TRP   8           H        TRP   8 -11.510   0.008   1.912
   77    HA   TRP   8           HA       TRP   8  -9.686   0.252   4.052
   78   1HB   TRP   8           HB2      TRP   8 -11.305  -1.138   5.284
   79   2HB   TRP   8           HB1      TRP   8 -12.096   0.143   4.357
   80    HD1  TRP   8           HD1      TRP   8 -13.508  -0.604   2.214
   81    HE1  TRP   8           HE1      TRP   8 -14.704  -2.795   1.580
   82    HE3  TRP   8           HE3      TRP   8 -11.180  -3.767   5.497
   83    HZ2  TRP   8           HZ2      TRP   8 -14.650  -5.532   2.389
   84    HZ3  TRP   8           HZ3      TRP   8 -11.790  -6.173   5.534
   85    HH2  TRP   8           HH2      TRP   8 -13.516  -7.059   3.987
   86    H    GLU   9           H        GLU   9 -10.492  -2.551   1.951
   87    HA   GLU   9           HA       GLU   9  -8.806  -4.376   3.401
   88   1HB   GLU   9           H        GLU   9  -9.222  -5.892   1.502
   89   2HB   GLU   9           H        GLU   9 -10.720  -5.151   2.094
   90   1HG   GLU   9           H        GLU   9 -11.035  -4.820  -0.163
   91   2HG   GLU   9           H        GLU   9 -10.149  -3.332   0.201
   92    H    GLU  10           H        GLU  10  -8.343  -2.238   0.563
   93    HA   GLU  10           HA       GLU  10  -5.844  -3.278  -0.282
   94   1HB   GLU  10           H        GLU  10  -7.365  -1.616  -1.485
   95   2HB   GLU  10           H        GLU  10  -6.703  -0.365  -0.408
   96   1HG   GLU  10           H        GLU  10  -4.404  -0.977  -1.178
   97   2HG   GLU  10           H        GLU  10  -5.118  -2.152  -2.302
   98    H    ASP  11           H        ASP  11  -6.676  -0.680   2.073
   99    HA   ASP  11           HA       ASP  11  -4.030   0.086   2.719
  100   1HB   ASP  11           H        ASP  11  -6.069   1.329   3.371
  101   2HB   ASP  11           H        ASP  11  -6.517   0.015   4.478
  102    H    LYS  12           H        LYS  12  -6.173  -2.436   4.149
  103    HA   LYS  12           HA       LYS  12  -4.389  -3.302   6.175
  104   1HB   LYS  12           H        LYS  12  -6.856  -3.866   5.877
  105   2HB   LYS  12           H        LYS  12  -6.355  -5.038   4.634
  106   1HG   LYS  12           H        LYS  12  -4.726  -5.946   6.463
  107   2HG   LYS  12           H        LYS  12  -5.736  -5.038   7.609
  108   1HD   LYS  12           H        LYS  12  -6.781  -7.123   5.631
  109   2HD   LYS  12           H        LYS  12  -6.430  -7.438   7.344
  110   1HE   LYS  12           H        LYS  12  -8.689  -6.969   7.496
  111   2HE   LYS  12           H        LYS  12  -8.030  -5.335   7.719
  112   1HZ   LYS  12           H        LYS  12  -8.981  -6.461   5.175
  113   2HZ   LYS  12           H        LYS  12  -9.807  -5.393   6.122
  114   3HZ   LYS  12           H        LYS  12  -8.400  -4.935   5.398
  115    H    ASN  13           H        ASN  13  -4.811  -4.357   2.756
  116    HA   ASN  13           HA       ASN  13  -2.933  -6.484   2.797
  117   1HB   ASN  13           HB2      ASN  13  -3.802  -4.617   0.551
  118   2HB   ASN  13           HB1      ASN  13  -2.852  -6.092   0.316
  119   1HD2  ASN  13           HD22     ASN  13  -6.642  -6.634  -0.105
  120   2HD2  ASN  13           HD21     ASN  13  -5.530  -5.441  -0.742
  121    H    LEU  14           H        LEU  14  -2.535  -2.958   2.234
  122    HA   LEU  14           HA       LEU  14   0.198  -3.072   1.430
  123   1HB   LEU  14           HB2      LEU  14  -1.193  -1.101   1.043
  124   2HB   LEU  14           HB1      LEU  14  -1.428  -0.879   2.787
  125    HG   LEU  14           HG       LEU  14   1.030  -0.517   3.062
  126   1HD1  LEU  14           HD13     LEU  14   0.967  -0.902   0.049
  127   2HD1  LEU  14           HD12     LEU  14   2.289  -0.039   0.868
  128   3HD1  LEU  14           HD11     LEU  14   1.976  -1.748   1.240
  129   1HD2  LEU  14           HD22     LEU  14  -0.528   1.392   2.686
  130   2HD2  LEU  14           HD23     LEU  14   1.094   1.707   2.026
  131   3HD2  LEU  14           HD21     LEU  14  -0.237   1.258   0.936
  132    H    ARG  15           H        ARG  15  -1.298  -2.353   4.647
  133    HA   ARG  15           HA       ARG  15   1.127  -2.074   6.065
  134   1HB   ARG  15           H        ARG  15  -1.643  -2.970   6.930
  135   2HB   ARG  15           H        ARG  15  -0.322  -2.660   8.074
  136   1HG   ARG  15           H        ARG  15  -0.376  -0.376   7.735
  137   2HG   ARG  15           H        ARG  15  -0.876  -0.528   6.036
  138   1HD   ARG  15           H        ARG  15  -2.700   0.420   7.350
  139   2HD   ARG  15           H        ARG  15  -3.150  -1.204   6.788
  140    HE   ARG  15           H        ARG  15  -1.985  -1.496   9.340
  141   1HH1  ARG  15           H        ARG  15  -4.822   0.001   7.825
  142   2HH1  ARG  15           H        ARG  15  -5.831  -0.167   9.250
  143   1HH2  ARG  15           H        ARG  15  -3.314  -1.677  11.223
  144   2HH2  ARG  15           H        ARG  15  -4.967  -1.109  11.188
  145    H    SER  16           H        SER  16  -0.995  -4.977   5.761
  146    HA   SER  16           HA       SER  16   0.666  -6.721   7.249
  147   1HB   SER  16           HB2      SER  16  -1.202  -7.384   4.933
  148   2HB   SER  16           HB1      SER  16  -0.649  -8.499   6.206
  149    HG   SER  16           HG       SER  16  -2.333  -6.233   6.437
  150    H    GLY  17           H        GLY  17   0.562  -5.973   3.737
  151   1HA   GLY  17           HA2      GLY  17   2.401  -7.929   2.873
  152   2HA   GLY  17           HA1      GLY  17   2.050  -6.394   2.051
  153    H    VAL  18           H        VAL  18   3.038  -4.401   3.387
  154    HA   VAL  18           HA       VAL  18   5.833  -4.572   3.088
  155    HB   VAL  18           HB       VAL  18   4.088  -2.638   4.670
  156   1HG1  VAL  18           HG11     VAL  18   7.057  -2.636   4.029
  157   2HG1  VAL  18           HG12     VAL  18   6.165  -1.133   4.339
  158   3HG1  VAL  18           HG13     VAL  18   6.269  -2.379   5.602
  159   1HG2  VAL  18           HG21     VAL  18   3.754  -2.795   2.177
  160   2HG2  VAL  18           HG23     VAL  18   4.369  -1.213   2.705
  161   3HG2  VAL  18           HG22     VAL  18   5.472  -2.395   1.961
  162    H    ARG  19           H        ARG  19   3.789  -4.987   6.010
  163    HA   ARG  19           HA       ARG  19   5.877  -5.038   7.921
  164   1HB   ARG  19           H        ARG  19   3.525  -4.830   8.517
  165   2HB   ARG  19           H        ARG  19   3.172  -6.433   7.846
  166   1HG   ARG  19           H        ARG  19   5.351  -6.389   9.876
  167   2HG   ARG  19           H        ARG  19   3.752  -5.926  10.496
  168   1HD   ARG  19           H        ARG  19   4.402  -8.483   8.964
  169   2HD   ARG  19           H        ARG  19   4.099  -8.366  10.705
  170    HE   ARG  19           H        ARG  19   2.126  -8.388   8.559
  171   1HH1  ARG  19           H        ARG  19   2.791  -7.351  11.885
  172   2HH1  ARG  19           H        ARG  19   1.108  -7.310  12.350
  173   1HH2  ARG  19           H        ARG  19  -0.096  -8.269   9.167
  174   2HH2  ARG  19           H        ARG  19  -0.538  -7.830  10.800
  175    H    LYS  20           H        LYS  20   4.456  -7.686   5.916
  176    HA   LYS  20           HA       LYS  20   6.197  -9.671   7.189
  177   1HB   LYS  20           H        LYS  20   3.967 -10.359   6.597
  178   2HB   LYS  20           H        LYS  20   4.154  -9.763   4.934
  179   1HG   LYS  20           H        LYS  20   4.368 -12.254   5.109
  180   2HG   LYS  20           H        LYS  20   5.825 -11.485   4.447
  181   1HD   LYS  20           H        LYS  20   6.958 -11.652   6.604
  182   2HD   LYS  20           H        LYS  20   5.473 -12.243   7.385
  183   1HE   LYS  20           H        LYS  20   5.546 -14.308   6.182
  184   2HE   LYS  20           H        LYS  20   6.744 -13.684   5.029
  185   1HZ   LYS  20           H        LYS  20   7.229 -14.149   7.888
  186   2HZ   LYS  20           H        LYS  20   7.720 -15.135   6.661
  187   3HZ   LYS  20           H        LYS  20   8.336 -13.610   6.791
  188    H    TYR  21           H        TYR  21   5.719  -8.612   3.757
  189    HA   TYR  21           HA       TYR  21   8.052  -9.942   2.818
  190   1HB   TYR  21           HB2      TYR  21   6.323  -7.717   1.713
  191   2HB   TYR  21           HB1      TYR  21   7.694  -8.390   0.823
  192    HD1  TYR  21           HD1      TYR  21   7.687 -10.742   0.056
  193    HD2  TYR  21           HD2      TYR  21   4.257  -8.987   1.976
  194    HE1  TYR  21           HE1      TYR  21   6.270 -12.611  -0.758
  195    HE2  TYR  21           HE2      TYR  21   2.841 -10.856   1.161
  196    HH   TYR  21           HH       TYR  21   2.775 -12.823  -0.008
  197    H    GLY  22           H        GLY  22   7.586  -6.718   4.241
  198   1HA   GLY  22           HA2      GLY  22   9.409  -5.573   5.264
  199   2HA   GLY  22           HA1      GLY  22  10.537  -6.358   4.141
  200    H    GLU  23           H        GLU  23   9.966  -3.452   4.840
  201    HA   GLU  23           HA       GLU  23   8.808  -2.251   2.473
  202   1HB   GLU  23           H        GLU  23   8.879  -1.275   4.831
  203   2HB   GLU  23           H        GLU  23  10.612  -0.974   4.572
  204   1HG   GLU  23           H        GLU  23  10.021   0.348   2.518
  205   2HG   GLU  23           H        GLU  23   8.304   0.119   2.908
  206    H    GLY  24           H        GLY  24   9.821  -2.424   0.529
  207   1HA   GLY  24           HA1      GLY  24  12.064  -1.162  -0.279
  208   2HA   GLY  24           HA2      GLY  24  12.746  -2.662   0.391
  209    H    ASN  25           H        ASN  25  11.100  -4.648  -0.303
  210    HA   ASN  25           HA       ASN  25  11.484  -4.790  -3.194
  211   1HB   ASN  25           HB1      ASN  25  10.688  -7.139  -2.895
  212   2HB   ASN  25           HB2      ASN  25  12.071  -6.721  -1.867
  213   1HD2  ASN  25           HD21     ASN  25  10.325  -7.047   1.228
  214   2HD2  ASN  25           HD22     ASN  25  11.740  -6.396   0.424
  215    H    TRP  26           H        TRP  26   9.857  -2.806  -3.158
  216    HA   TRP  26           HA       TRP  26   7.082  -3.215  -2.873
  217   1HB   TRP  26           HB2      TRP  26   8.626  -1.445  -4.800
  218   2HB   TRP  26           HB1      TRP  26   6.899  -1.297  -4.444
  219    HD1  TRP  26           HD1      TRP  26  10.131   0.026  -3.415
  220    HE1  TRP  26           HE1      TRP  26  10.007   1.344  -1.204
  221    HE3  TRP  26           HE3      TRP  26   5.501  -1.482  -1.841
  222    HZ2  TRP  26           HZ2      TRP  26   8.154   1.686   0.940
  223    HZ3  TRP  26           HZ3      TRP  26   4.590  -0.634   0.303
  224    HH2  TRP  26           HH2      TRP  26   5.906   0.942   1.696
  225    H    SER  27           H        SER  27   9.336  -4.187  -5.415
  226    HA   SER  27           HA       SER  27   7.519  -4.658  -7.526
  227   1HB   SER  27           HB2      SER  27   9.298  -6.370  -8.207
  228   2HB   SER  27           HB1      SER  27   9.880  -4.708  -7.946
  229    HG   SER  27           HG       SER  27  11.202  -6.239  -6.890
  230    H    LYS  28           H        LYS  28   8.910  -7.088  -5.233
  231    HA   LYS  28           HA       LYS  28   7.227  -9.218  -5.933
  232   1HB   LYS  28           H        LYS  28   8.620  -8.478  -3.336
  233   2HB   LYS  28           H        LYS  28   7.719  -9.998  -3.540
  234   1HG   LYS  28           H        LYS  28   9.143 -10.643  -5.427
  235   2HG   LYS  28           H        LYS  28   9.987  -9.079  -5.364
  236   1HD   LYS  28           H        LYS  28  11.333 -10.823  -4.263
  237   2HD   LYS  28           H        LYS  28  10.801  -9.611  -3.075
  238   1HE   LYS  28           H        LYS  28   9.093 -11.065  -2.217
  239   2HE   LYS  28           H        LYS  28   9.261 -12.187  -3.585
  240   1HZ   LYS  28           H        LYS  28  11.313 -11.671  -1.547
  241   2HZ   LYS  28           H        LYS  28  10.328 -12.992  -1.602
  242   3HZ   LYS  28           H        LYS  28  11.436 -12.739  -2.798
  243    H    ILE  29           H        ILE  29   6.777  -6.770  -3.311
  244    HA   ILE  29           HA       ILE  29   4.367  -7.759  -2.273
  245    HB   ILE  29           HB       ILE  29   5.529  -4.962  -2.514
  246   1HG1  ILE  29           HG11     ILE  29   5.032  -6.592  -0.006
  247   2HG1  ILE  29           HG12     ILE  29   6.452  -6.926  -1.022
  248   1HG2  ILE  29           HG23     ILE  29   2.932  -5.871  -1.209
  249   2HG2  ILE  29           HG22     ILE  29   3.782  -4.390  -0.718
  250   3HG2  ILE  29           HG21     ILE  29   3.170  -4.549  -2.375
  251   1HD1  ILE  29           HD13     ILE  29   5.750  -4.204   0.163
  252   2HD1  ILE  29           HD12     ILE  29   6.980  -5.318   0.797
  253   3HD1  ILE  29           HD11     ILE  29   7.188  -4.585  -0.809
  254    H    LEU  30           H        LEU  30   4.823  -5.355  -4.939
  255    HA   LEU  30           HA       LEU  30   2.063  -4.954  -5.450
  256   1HB   LEU  30           HB2      LEU  30   3.771  -3.420  -6.244
  257   2HB   LEU  30           HB1      LEU  30   4.525  -4.697  -7.223
  258    HG   LEU  30           HG       LEU  30   2.525  -4.835  -8.652
  259   1HD1  LEU  30           HD11     LEU  30   1.436  -2.781  -6.688
  260   2HD1  LEU  30           HD12     LEU  30   0.755  -2.996  -8.316
  261   3HD1  LEU  30           HD13     LEU  30   0.718  -4.339  -7.155
  262   1HD2  LEU  30           HD21     LEU  30   3.460  -1.969  -8.196
  263   2HD2  LEU  30           HD23     LEU  30   4.271  -3.182  -9.214
  264   3HD2  LEU  30           HD22     LEU  30   2.661  -2.576  -9.666
  265    H    LEU  31           H        LEU  31   4.416  -7.287  -6.880
  266    HA   LEU  31           HA       LEU  31   2.618  -8.322  -8.846
  267   1HB   LEU  31           HB2      LEU  31   5.243  -9.089  -7.627
  268   2HB   LEU  31           HB1      LEU  31   4.317 -10.407  -8.370
  269    HG   LEU  31           HG       LEU  31   5.949  -9.250  -9.926
  270   1HD1  LEU  31           HD11     LEU  31   3.917 -10.541 -10.683
  271   2HD1  LEU  31           HD12     LEU  31   3.039  -8.998 -10.789
  272   3HD1  LEU  31           HD13     LEU  31   4.454  -9.287 -11.823
  273   1HD2  LEU  31           HD23     LEU  31   5.582  -6.929  -9.100
  274   2HD2  LEU  31           HD22     LEU  31   5.352  -7.065 -10.854
  275   3HD2  LEU  31           HD21     LEU  31   3.942  -6.957  -9.781
  276    H    HIS  32           H        HIS  32   3.314  -9.312  -5.468
  277    HA   HIS  32           HA       HIS  32   1.739 -11.719  -5.625
  278   1HB   HIS  32           HB2      HIS  32   2.791 -10.078  -3.294
  279   2HB   HIS  32           HB1      HIS  32   1.983 -11.648  -3.121
  280    HD1  HIS  32           HD1      HIS  32   4.156 -12.772  -2.159
  281    HD2  HIS  32           HD2      HIS  32   4.597 -11.233  -6.026
  282    HE1  HIS  32           HE1      HIS  32   6.335 -13.668  -3.117
  283    H    TYR  33           H        TYR  33   1.133  -8.506  -4.059
  284    HA   TYR  33           HA       TYR  33  -1.672  -9.207  -3.589
  285   1HB   TYR  33           HB2      TYR  33   0.031  -6.740  -3.182
  286   2HB   TYR  33           HB1      TYR  33  -1.712  -6.728  -2.889
  287    HD1  TYR  33           HD1      TYR  33  -2.701  -8.124  -1.088
  288    HD2  TYR  33           HD2      TYR  33   1.558  -7.812  -1.639
  289    HE1  TYR  33           HE1      TYR  33  -2.338  -9.009   1.204
  290    HE2  TYR  33           HE2      TYR  33   1.919  -8.696   0.649
  291    HH   TYR  33           HH       TYR  33  -0.802  -9.609   2.791
  292    H    LYS  34           H        LYS  34  -3.154  -7.040  -4.251
  293    HA   LYS  34           HA       LYS  34  -2.643  -6.427  -7.108
  294   1HB   LYS  34           H        LYS  34  -5.007  -7.950  -5.974
  295   2HB   LYS  34           H        LYS  34  -5.222  -6.893  -7.388
  296   1HG   LYS  34           H        LYS  34  -4.633  -8.778  -8.546
  297   2HG   LYS  34           H        LYS  34  -2.986  -8.228  -8.174
  298   1HD   LYS  34           H        LYS  34  -3.252  -9.627  -5.981
  299   2HD   LYS  34           H        LYS  34  -4.626 -10.388  -6.809
  300   1HE   LYS  34           H        LYS  34  -3.188 -11.094  -8.649
  301   2HE   LYS  34           H        LYS  34  -1.813 -10.193  -7.974
  302   1HZ   LYS  34           H        LYS  34  -3.152 -12.447  -6.654
  303   2HZ   LYS  34           H        LYS  34  -1.730 -12.541  -7.483
  304   3HZ   LYS  34           H        LYS  34  -1.821 -11.637  -6.105
  305    H    PHE  35           H        PHE  35  -2.068  -4.374  -6.081
  306    HA   PHE  35           HA       PHE  35  -4.209  -2.832  -4.811
  307   1HB   PHE  35           HB2      PHE  35  -1.492  -1.936  -5.833
  308   2HB   PHE  35           HB1      PHE  35  -2.542  -1.079  -4.693
  309    HD1  PHE  35           HD1      PHE  35  -2.876  -1.970  -2.384
  310    HD2  PHE  35           HD2      PHE  35  -0.018  -3.680  -5.095
  311    HE1  PHE  35           HE1      PHE  35  -1.747  -3.089  -0.479
  312    HE2  PHE  35           HE2      PHE  35   1.122  -4.790  -3.195
  313    HZ   PHE  35           HZ       PHE  35   0.259  -4.501  -0.883
  314    H    ASN  36           H        ASN  36  -4.714  -0.581  -5.755
  315    HA   ASN  36           HA       ASN  36  -5.361  -0.960  -8.635
  316   1HB   ASN  36           HB2      ASN  36  -7.202  -0.513  -7.052
  317   2HB   ASN  36           HB1      ASN  36  -6.416   0.998  -6.556
  318   1HD2  ASN  36           HD22     ASN  36  -7.732   0.876 -10.501
  319   2HD2  ASN  36           HD21     ASN  36  -6.924  -0.511  -9.807
  320    H    ASN  37           H        ASN  37  -3.996  -0.077 -10.076
  321    HA   ASN  37           HA       ASN  37  -2.316   1.210 -10.963
  322   1HB   ASN  37           HB1      ASN  37  -2.880   3.566 -11.208
  323   2HB   ASN  37           HB2      ASN  37  -4.334   2.567 -11.379
  324   1HD2  ASN  37           HD21     ASN  37  -3.962   5.255  -8.265
  325   2HD2  ASN  37           HD22     ASN  37  -2.538   4.704  -9.125
  326    H    ARG  38           H        ARG  38  -1.722   0.266  -8.295
  327    HA   ARG  38           HA       ARG  38  -0.188   2.510  -7.098
  328   1HB   ARG  38           H        ARG  38  -1.703   0.267  -6.113
  329   2HB   ARG  38           H        ARG  38  -0.020   0.066  -5.594
  330   1HG   ARG  38           H        ARG  38  -1.241   1.338  -3.915
  331   2HG   ARG  38           H        ARG  38  -0.054   2.396  -4.699
  332   1HD   ARG  38           H        ARG  38  -1.914   3.776  -4.768
  333   2HD   ARG  38           H        ARG  38  -2.114   2.938  -6.315
  334    HE   ARG  38           H        ARG  38  -3.467   1.441  -4.297
  335   1HH1  ARG  38           H        ARG  38  -3.654   4.454  -6.149
  336   2HH1  ARG  38           H        ARG  38  -5.379   4.640  -5.944
  337   1HH2  ARG  38           H        ARG  38  -5.750   1.736  -3.965
  338   2HH2  ARG  38           H        ARG  38  -6.580   3.049  -4.772
  339    H    THR  39           H        THR  39   1.474   2.617  -8.694
  340    HA   THR  39           HA       THR  39   3.079   0.162  -9.124
  341    HB   THR  39           HB       THR  39   4.168   1.588 -10.894
  342    HG1  THR  39           HG1      THR  39   3.649   3.598  -9.916
  343   1HG2  THR  39           HG22     THR  39   2.246   0.073 -11.379
  344   2HG2  THR  39           HG21     THR  39   1.123   1.408 -11.027
  345   3HG2  THR  39           HG23     THR  39   2.232   1.521 -12.413
  346    H    SER  40           H        SER  40   4.016   0.091  -7.010
  347    HA   SER  40           HA       SER  40   5.662   0.395  -5.484
  348   1HB   SER  40           HB2      SER  40   7.869   0.944  -6.299
  349   2HB   SER  40           HB1      SER  40   7.027  -0.050  -7.506
  350    HG   SER  40           HG       SER  40   6.537   1.906  -8.619
  351    H    VAL  41           H        VAL  41   6.189   3.469  -7.305
  352    HA   VAL  41           HA       VAL  41   6.885   5.056  -5.153
  353    HB   VAL  41           HB       VAL  41   5.285   5.810  -7.639
  354   1HG1  VAL  41           HG11     VAL  41   6.858   7.505  -5.647
  355   2HG1  VAL  41           HG13     VAL  41   6.292   8.086  -7.231
  356   3HG1  VAL  41           HG12     VAL  41   5.114   7.603  -5.990
  357   1HG2  VAL  41           HG22     VAL  41   8.272   5.780  -7.007
  358   2HG2  VAL  41           HG23     VAL  41   7.424   4.741  -8.177
  359   3HG2  VAL  41           HG21     VAL  41   7.555   6.488  -8.473
  360    H    MET  42           H        MET  42   3.554   4.377  -6.338
  361    HA   MET  42           HA       MET  42   2.231   6.172  -4.563
  362   1HB   MET  42           HB1      MET  42   1.353   3.668  -6.042
  363   2HB   MET  42           HB2      MET  42   0.242   4.641  -5.053
  364   1HG   MET  42           HG2      MET  42  -0.066   5.564  -7.162
  365   2HG   MET  42           HG1      MET  42   1.126   6.658  -6.449
  366   1HE   MET  42           HE3      MET  42   1.590   7.618  -8.856
  367   2HE   MET  42           HE1      MET  42   2.030   6.618 -10.261
  368   3HE   MET  42           HE2      MET  42   0.406   6.481  -9.544
  369    H    LEU  43           H        LEU  43   2.982   2.650  -4.299
  370    HA   LEU  43           HA       LEU  43   1.695   2.205  -1.813
  371   1HB   LEU  43           HB2      LEU  43   4.168   0.907  -3.040
  372   2HB   LEU  43           HB1      LEU  43   3.293   0.271  -1.632
  373    HG   LEU  43           HG       LEU  43   1.738   0.867  -4.150
  374   1HD1  LEU  43           HD11     LEU  43   3.485  -1.583  -3.671
  375   2HD1  LEU  43           HD13     LEU  43   2.219  -1.470  -4.916
  376   3HD1  LEU  43           HD12     LEU  43   3.637  -0.405  -4.993
  377   1HD2  LEU  43           HD21     LEU  43   0.743   0.121  -1.910
  378   2HD2  LEU  43           HD23     LEU  43   0.309  -0.865  -3.318
  379   3HD2  LEU  43           HD22     LEU  43   1.546  -1.439  -2.178
  380    H    LYS  44           H        LYS  44   5.071   3.114  -2.599
  381    HA   LYS  44           HA       LYS  44   6.056   3.284   0.044
  382   1HB   LYS  44           H        LYS  44   7.441   3.248  -2.011
  383   2HB   LYS  44           H        LYS  44   6.814   4.844  -2.462
  384   1HG   LYS  44           H        LYS  44   7.714   5.525  -0.039
  385   2HG   LYS  44           H        LYS  44   8.732   4.087  -0.258
  386   1HD   LYS  44           H        LYS  44  10.121   5.605  -1.283
  387   2HD   LYS  44           H        LYS  44   9.090   5.253  -2.688
  388   1HE   LYS  44           H        LYS  44   8.694   7.552  -0.710
  389   2HE   LYS  44           H        LYS  44   9.381   7.701  -2.340
  390   1HZ   LYS  44           H        LYS  44   7.285   6.908  -3.209
  391   2HZ   LYS  44           H        LYS  44   6.651   6.832  -1.690
  392   3HZ   LYS  44           H        LYS  44   7.086   8.288  -2.327
  393    H    ASP  45           H        ASP  45   4.420   5.719  -2.042
  394    HA   ASP  45           HA       ASP  45   4.850   7.961  -0.376
  395   1HB   ASP  45           H        ASP  45   4.052   7.999  -2.743
  396   2HB   ASP  45           H        ASP  45   2.474   7.400  -2.193
  397    H    ARG  46           H        ARG  46   1.856   5.907  -0.622
  398    HA   ARG  46           HA       ARG  46   0.511   7.139   1.535
  399   1HB   ARG  46           H        ARG  46  -0.585   5.616  -0.066
  400   2HB   ARG  46           H        ARG  46   0.354   4.247   0.578
  401   1HG   ARG  46           H        ARG  46  -0.669   4.605   2.821
  402   2HG   ARG  46           H        ARG  46  -1.606   5.973   2.173
  403   1HD   ARG  46           H        ARG  46  -2.714   4.447   0.577
  404   2HD   ARG  46           H        ARG  46  -1.763   3.091   1.201
  405    HE   ARG  46           H        ARG  46  -3.075   3.034   3.147
  406   1HH1  ARG  46           H        ARG  46  -3.878   5.875   1.168
  407   2HH1  ARG  46           H        ARG  46  -5.412   6.149   1.957
  408   1HH2  ARG  46           H        ARG  46  -5.030   3.467   4.239
  409   2HH2  ARG  46           H        ARG  46  -6.058   4.796   3.733
  410    H    TRP  47           H        TRP  47   2.719   4.290   1.486
  411    HA   TRP  47           HA       TRP  47   2.459   3.588   4.197
  412   1HB   TRP  47           HB1      TRP  47   3.577   2.257   2.421
  413   2HB   TRP  47           HB2      TRP  47   4.922   3.408   2.431
  414    HD1  TRP  47           HD1      TRP  47   6.873   2.581   3.765
  415    HE1  TRP  47           HE1      TRP  47   7.311   1.067   5.804
  416    HE3  TRP  47           HE3      TRP  47   2.035   1.416   4.918
  417    HZ2  TRP  47           HZ2      TRP  47   5.741  -0.454   7.668
  418    HZ3  TRP  47           HZ3      TRP  47   1.546  -0.056   6.842
  419    HH2  TRP  47           HH2      TRP  47   3.373  -1.015   8.207
  420    H    ARG  48           H        ARG  48   4.792   5.846   2.628
  421    HA   ARG  48           HA       ARG  48   6.270   6.522   4.923
  422   1HB   ARG  48           H        ARG  48   5.628   7.839   2.294
  423   2HB   ARG  48           H        ARG  48   6.399   8.821   3.552
  424   1HG   ARG  48           H        ARG  48   7.488   6.086   2.772
  425   2HG   ARG  48           H        ARG  48   7.946   7.557   1.885
  426   1HD   ARG  48           H        ARG  48   8.360   7.011   4.856
  427   2HD   ARG  48           H        ARG  48   9.616   7.126   3.615
  428    HE   ARG  48           H        ARG  48   8.169   9.336   4.916
  429   1HH1  ARG  48           H        ARG  48  10.278   8.335   2.235
  430   2HH1  ARG  48           H        ARG  48  10.819   9.960   1.895
  431   1HH2  ARG  48           H        ARG  48   8.785  11.450   4.389
  432   2HH2  ARG  48           H        ARG  48  10.005  11.740   3.158
  433    H    THR  49           H        THR  49   3.432   8.244   3.494
  434    HA   THR  49           HA       THR  49   3.169  10.201   5.491
  435    HB   THR  49           HB       THR  49   0.928   8.854   3.928
  436    HG1  THR  49           HG1      THR  49   2.799  10.874   3.247
  437   1HG2  THR  49           HG21     THR  49   1.279  11.641   5.126
  438   2HG2  THR  49           HG22     THR  49  -0.071  11.148   4.076
  439   3HG2  THR  49           HG23     THR  49   0.136  10.390   5.672
  440    H    MET  50           H        MET  50   1.777   6.887   5.320
  441    HA   MET  50           HA       MET  50   0.227   7.180   7.698
  442   1HB   MET  50           HB1      MET  50  -0.218   5.509   5.896
  443   2HB   MET  50           HB2      MET  50   1.279   4.658   6.338
  444   1HG   MET  50           HG1      MET  50  -0.672   3.571   7.350
  445   2HG   MET  50           HG2      MET  50   0.389   4.237   8.596
  446   1HE   MET  50           HE1      MET  50  -1.554   3.833  10.332
  447   2HE   MET  50           HE2      MET  50  -3.204   4.476  10.150
  448   3HE   MET  50           HE3      MET  50  -2.608   3.223   9.034
  449    H    LYS  51           H        LYS  51   3.583   6.238   7.088
  450    HA   LYS  51           HA       LYS  51   4.011   5.258   9.800
  451   1HB   LYS  51           H        LYS  51   5.278   4.710   7.553
  452   2HB   LYS  51           H        LYS  51   6.177   6.201   7.904
  453   1HG   LYS  51           H        LYS  51   7.523   4.731   9.054
  454   2HG   LYS  51           H        LYS  51   6.332   5.021  10.343
  455   1HD   LYS  51           H        LYS  51   5.059   3.020   9.621
  456   2HD   LYS  51           H        LYS  51   6.235   2.741   8.312
  457   1HE   LYS  51           H        LYS  51   8.046   2.571  10.049
  458   2HE   LYS  51           H        LYS  51   6.800   2.703  11.310
  459   1HZ   LYS  51           H        LYS  51   5.795   0.722  10.425
  460   2HZ   LYS  51           H        LYS  51   6.960   0.600   9.264
  461   3HZ   LYS  51           H        LYS  51   7.362   0.435  10.855
  462    H    LYS  52           H        LYS  52   2.902   8.110   9.209
  463    HA   LYS  52           HA       LYS  52   3.172  10.257   9.924
  464   1HB   LYS  52           H        LYS  52   4.804   8.862  12.092
  465   2HB   LYS  52           H        LYS  52   4.215  10.539  12.160
  466   1HG   LYS  52           H        LYS  52   1.898   9.799  12.079
  467   2HG   LYS  52           H        LYS  52   2.398   8.117  11.791
  468   1HD   LYS  52           H        LYS  52   1.773   8.419  14.147
  469   2HD   LYS  52           H        LYS  52   3.511   8.068  14.018
  470   1HE   LYS  52           H        LYS  52   2.679  10.957  13.960
  471   2HE   LYS  52           H        LYS  52   2.534  10.103  15.511
  472   1HZ   LYS  52           H        LYS  52   4.983  10.236  13.894
  473   2HZ   LYS  52           H        LYS  52   4.670  11.160  15.222
  474   3HZ   LYS  52           H        LYS  52   4.825   9.525  15.372
  475    H    LEU  53           H        LEU  53   4.777   9.535   7.801
  476    HA   LEU  53           HA       LEU  53   7.090  11.333   8.232
  477   1HB   LEU  53           HB2      LEU  53   7.384   8.529   8.448
  478   2HB   LEU  53           HB1      LEU  53   7.965   8.920   6.820
  479    HG   LEU  53           HG       LEU  53   8.849  10.405   9.335
  480   1HD1  LEU  53           HD11     LEU  53  10.221   8.141   7.818
  481   2HD1  LEU  53           HD12     LEU  53  10.933   9.073   9.157
  482   3HD1  LEU  53           HD13     LEU  53   9.521   8.029   9.451
  483   1HD2  LEU  53           HD22     LEU  53   9.916  10.291   6.477
  484   2HD2  LEU  53           HD23     LEU  53   9.140  11.686   7.261
  485   3HD2  LEU  53           HD21     LEU  53  10.725  11.117   7.829

  No H/Q in entry =         485