*HEADER    SIGNALING PROTEIN                       07-APR-06   2DK9              
*TITLE     SOLUTION STRUCTURE OF CALPONIN HOMOLOGY DOMAIN OF HUMAN               
*TITLE    2 MICAL-1                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEDD9-INTERACTING PROTEIN WITH CALPONIN HOMOLOGY           
*COMPND   3 AND LIM DOMAINS;                                                     
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: CALPONIN HOMOLOGY DOMAIN;                                  
*COMPND   6 SYNONYM: MOLECULE INTERACTING WITH CASL PROTEIN 1, MICAL-1;          
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: MICAL1, MICAL, NICAL;                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: P28                                       
*KEYWDS    HELIX                                                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    H.SUN, H.DAI, J.ZHANG, S.XIONG, J.WU, Y.SHI                           
*REVDAT   1   19-SEP-06 2DK9    0                                                

ch_pf1_nh.tbl0100644000076600007640000004033310413406010011756 0ustar  sunuser!HN RDC

assign ( resid 500  and name OO  )
      ( resid 500  and name Z   )
      ( resid 500  and name X   )
      ( resid 500  and name Y   )
      ( resid 11   and name N   )
      ( resid 11   and name HN  )  10.70  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13   and name N   )
       ( resid 13   and name HN  )  10.90  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 14   and name N   )
       ( resid 14   and name HN  )  12.32  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 15   and name N   )
       ( resid 15   and name HN  )  11.05  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 16   and name N   )
       ( resid 16   and name HN  )  14.70  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name N   )
       ( resid 17   and name HN  )  11.92  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name N   )
       ( resid 18   and name HN  )  4.02  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 20   and name N   )
       ( resid 20   and name HN  )  11.10  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22   and name N   )
       ( resid 22   and name HN  )  2.23  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 23   and name N   )
       ( resid 23   and name HN  )  -4.92  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 24   and name N   )
       ( resid 24   and name HN  )  -2.38  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 25   and name N   )
       ( resid 25   and name HN  )  -8.36  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 26   and name N   )
       ( resid 26   and name HN  )  -3.64  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 27   and name N   )
       ( resid 27   and name HN  )  0.91  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 28   and name N   )
       ( resid 28   and name HN  )  9.78  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 29   and name N   )
       ( resid 29   and name HN  )  0.31  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 30   and name N   )
       ( resid 30   and name HN  )  10.85  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name N   )
       ( resid 31   and name HN  )  9.18  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 33   and name N   )
       ( resid 33   and name HN  )  3.5  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 34   and name N   )
       ( resid 34   and name HN  )  0.76  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 35   and name N   )
       ( resid 35   and name HN  )  12.61  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 36   and name N   )
       ( resid 36   and name HN  )  -12.41  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 38   and name N   )
       ( resid 38   and name HN  )  -13.53  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 39   and name N   )
       ( resid 39   and name HN  )  -14.03  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40   and name N   )
       ( resid 40   and name HN  )  -11.82  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 41   and name N   )
       ( resid 41   and name HN  )  -11.90  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 42   and name N   )
       ( resid 42   and name HN  )  -14.76  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 43   and name N   )
       ( resid 43   and name HN  )  -14.18  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 45   and name N   )
       ( resid 45   and name HN  )  -12.05  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 46   and name N   )
       ( resid 46   and name HN  )  -14.45  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 49   and name N   )
       ( resid 49   and name HN  )  10.84  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 51   and name N   )
       ( resid 51   and name HN  )  3.39  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 53   and name N   )
       ( resid 53   and name HN  )  -5.42  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 54   and name N   )
       ( resid 54   and name HN  )  -8.68  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 55   and name N   )
       ( resid 55   and name HN  )  -6.79  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 56   and name N   )
       ( resid 56   and name HN  )  -2.68  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 58   and name N   )
       ( resid 58   and name HN  )  -8.87  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 59   and name N   )
       ( resid 59   and name HN  )  2.13  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 60   and name N   )
       ( resid 60   and name HN  )  -11.45  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 61   and name N   )
       ( resid 61   and name HN  )  -11.46  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 62   and name N   )
       ( resid 62   and name HN  )  -8.46  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 63   and name N   )
       ( resid 63   and name HN  )  -12.32  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 65   and name N   )
       ( resid 65   and name HN  )  -11.76  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 66   and name N   )
       ( resid 66   and name HN  )  -9.12  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 67   and name N   )
       ( resid 67   and name HN  )  -13.73  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 68   and name N   )
       ( resid 68   and name HN  )  -15.00  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 69   and name N   )
       ( resid 69   and name HN  )  -7.45  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 71   and name N   )
       ( resid 71   and name HN  )  -13.73  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 72   and name N   )
       ( resid 72   and name HN  )  -10.59  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 73   and name N   )
       ( resid 73   and name HN  )  -10.75  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 74   and name N   )
       ( resid 74   and name HN  )  -12.28  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 75   and name N   )
       ( resid 75   and name HN  )  -10.25  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 76   and name N   )
       ( resid 76   and name HN  )  5.23  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 77   and name N   )
       ( resid 77   and name HN  )  9.64  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 78   and name N   )
       ( resid 78   and name HN  )  2.33  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 80   and name N   )
       ( resid 80   and name HN  )  -2.33  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 81   and name N   )
       ( resid 81   and name HN  )  4.55  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 82   and name N   )
       ( resid 82   and name HN  )  2.78  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 83   and name N   )
       ( resid 83   and name HN  )  1.27  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 84   and name N   )
       ( resid 84   and name HN  )  0.51  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 86   and name N   )
       ( resid 86   and name HN  )  -0.55  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 87   and name N   )
       ( resid 87   and name HN  )  2.38  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 89   and name N   )
       ( resid 89   and name HN  )  -3.24  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 94   and name N   )
       ( resid 94   and name HN  )  -14.19  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 95   and name N   )
       ( resid 95   and name HN  )  -13.53  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 97   and name N   )
       ( resid 97   and name HN  )  -12.07  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 98   and name N   )
       ( resid 98   and name HN  )  -13.79  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 99   and name N   )
       ( resid 99   and name HN  )  -11.51  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 101   and name N   )
       ( resid 101   and name HN  )  -12.52  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 102   and name N   )
       ( resid 102   and name HN  )  -12.46  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 103   and name N   )
       ( resid 103   and name HN  )  -10.24  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 104   and name N   )
       ( resid 104   and name HN  )  -11.30  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 105   and name N   )
       ( resid 105   and name HN  )  -14.45  0.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 106   and name N   )
       ( resid 106   and name HN  )  -11.41  0.20
d12_dihed_rama_tal.tbl0100644000076600007640000004365210413406010013523 0ustar  sunuser!
assign (resid 5 and name c)  (resid 6 and name n)
         (resid 6 and name ca) (resid 6 and name c)     1.0  -58.48  4.92 2
assign (resid 6 and name n)  (resid 6 and name ca)
         (resid 6 and name c)  (resid 7 and name n)     1.0  -39.02  5.98 2
!
assign (resid 6 and name c)  (resid 7 and name n)
         (resid 7 and name ca) (resid 7 and name c)     1.0  -66.25  3.47 2
assign (resid 7 and name n)  (resid 7 and name ca)
         (resid 7 and name c)  (resid 8 and name n)     1.0  -42.93  3.88 2
!
assign (resid 7 and name c)  (resid 8 and name n)
         (resid 8 and name ca) (resid 8 and name c)     1.0  -68.76  6.28 2
assign (resid 8 and name n)  (resid 8 and name ca)
         (resid 8 and name c)  (resid 9 and name n)     1.0  -39.09  7.32 2
!
assign (resid 8 and name c)  (resid 9 and name n)
         (resid 9 and name ca) (resid 9 and name c)     1.0  -67.31 7.50 2
assign (resid 9 and name n)  (resid 9 and name ca)
         (resid 9 and name c)  (resid 10 and name n)     1.0  -42.10 6.40 2
!
assign (resid 9 and name c)  (resid 10 and name n)
         (resid 10 and name ca) (resid 10 and name c)     1.0  -59.85 3.58 2
assign (resid 10 and name n)  (resid 10 and name ca)
         (resid 10 and name c)  (resid 11 and name n)     1.0  -40.38 5.49 2
!
assign (resid 10 and name c)  (resid 11 and name n)
         (resid 11 and name ca) (resid 11 and name c)     1.0  -62.89 3.09 2
assign (resid 11 and name n)  (resid 11 and name ca)
         (resid 11 and name c)  (resid 12 and name n)     1.0  -37.84 6.47 2
!
assign (resid 11 and name c)  (resid 12 and name n)
         (resid 12 and name ca) (resid 12 and name c)     1.0  -63.95 3.65 2
assign (resid 12 and name n)  (resid 12 and name ca)
         (resid 12 and name c)  (resid 13 and name n)     1.0  -43.08 6.33 2
!
assign (resid 12 and name c)  (resid 13 and name n)
         (resid 13 and name ca) (resid 13 and name c)     1.0  -65.49 5.93 2
assign (resid 13 and name n)  (resid 13 and name ca)
         (resid 13 and name c)  (resid 14 and name n)     1.0  -39.09 6.19 2
!
assign (resid 13 and name c)  (resid 14 and name n)
         (resid 14 and name ca) (resid 14 and name c)     1.0  -64.69 3.74 2
assign (resid 14 and name n)  (resid 14 and name ca)
         (resid 14 and name c)  (resid 15 and name n)     1.0  -40.30 5.22 2
!
assign (resid 14 and name c)  (resid 15 and name n)
         (resid 15 and name ca) (resid 15 and name c)     1.0  -61.66 4.50 2
assign (resid 15 and name n)  (resid 15 and name ca)
         (resid 15 and name c)  (resid 16 and name n)     1.0  -36.79 8.65 2
!
assign (resid 15 and name c)  (resid 16 and name n)
         (resid 16 and name ca) (resid 16 and name c)     1.0  -66.58 11.56 2
assign (resid 16 and name n)  (resid 16 and name ca)
         (resid 16 and name c)  (resid 17 and name n)     1.0  -30.56  7.48 2
!
assign (resid 16 and name c)  (resid 17 and name n)
         (resid 17 and name ca) (resid 17 and name c)     1.0  -97.85 19.37 2
assign (resid 17 and name n)  (resid 17 and name ca)
         (resid 17 and name c)  (resid 18 and name n)     1.0  -10.27 17.58 2
!
assign (resid 17 and name c)  (resid 18 and name n)
         (resid 18 and name ca) (resid 18 and name c)     1.0  -68.99 16.67 2
assign (resid 18 and name n)  (resid 18 and name ca)
         (resid 18 and name c)  (resid 19 and name n)     1.0  138.91 13.50 2
!
assign (resid 19 and name c)  (resid 20 and name n)
         (resid 20 and name ca) (resid 20 and name c)     1.0  -88.89 33.46 2
assign (resid 20 and name n)  (resid 20 and name ca)
         (resid 20 and name c)  (resid 21 and name n)     1.0  139.17 17.53 2
!
assign (resid 22 and name c)  (resid 23 and name n)
         (resid 23 and name ca) (resid 23 and name c)     1.0  -109.45 30.93 2
assign (resid 23 and name n)  (resid 23 and name ca)
         (resid 23 and name c)  (resid 24 and name n)     1.0  138.27  17.31 2
!
assign (resid 26 and name c)  (resid 27 and name n)
         (resid 27 and name ca) (resid 27 and name c)     1.0  -104.35 33.37 2
assign (resid 27 and name n)  (resid 27 and name ca)
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!
assign (resid 33 and name c)  (resid 34 and name n)
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assign (resid 34 and name n)  (resid 34 and name ca)
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!
assign (resid 35 and name c)  (resid 36 and name n)
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assign (resid 36 and name n)  (resid 36 and name ca)
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!
assign (resid 36 and name c)  (resid 37 and name n)
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assign (resid 37 and name n)  (resid 37 and name ca)
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!
assign (resid 37 and name c)  (resid 38 and name n)
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assign (resid 38 and name n)  (resid 38 and name ca)
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!
assign (resid 38 and name c)  (resid 39 and name n)
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assign (resid 39 and name n)  (resid 39 and name ca)
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!
assign (resid 39 and name c)  (resid 40 and name n)
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assign (resid 40 and name n)  (resid 40 and name ca)
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!
assign (resid 40 and name c)  (resid 41 and name n)
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assign (resid 41 and name n)  (resid 41 and name ca)
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!
assign (resid 41 and name c)  (resid 42 and name n)
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assign (resid 42 and name n)  (resid 42 and name ca)
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!
assign (resid 42 and name c)  (resid 43 and name n)
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assign (resid 43 and name n)  (resid 43 and name ca)
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!
assign (resid 43 and name c)  (resid 44 and name n)
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assign (resid 44 and name n)  (resid 44 and name ca)
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!
assign (resid 52 and name c)  (resid 53 and name n)
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assign (resid 53 and name n)  (resid 53 and name ca)
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!
assign (resid 53 and name c)  (resid 54 and name n)
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assign (resid 54 and name n)  (resid 54 and name ca)
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!
assign (resid 54 and name c)  (resid 55 and name n)
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assign (resid 55 and name n)  (resid 55 and name ca)
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!
assign (resid 55 and name c)  (resid 56 and name n)
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assign (resid 56 and name n)  (resid 56 and name ca)
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!
assign (resid 60 and name c)  (resid 61 and name n)
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assign (resid 61 and name n)  (resid 61 and name ca)
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!
assign (resid 61 and name c)  (resid 62 and name n)
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assign (resid 62 and name n)  (resid 62 and name ca)
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!
assign (resid 62 and name c)  (resid 63 and name n)
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assign (resid 63 and name n)  (resid 63 and name ca)
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!
assign (resid 63 and name c)  (resid 64 and name n)
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assign (resid 64 and name n)  (resid 64 and name ca)
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!
assign (resid 64 and name c)  (resid 65 and name n)
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assign (resid 65 and name n)  (resid 65 and name ca)
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!
assign (resid 65 and name c)  (resid 66 and name n)
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assign (resid 66 and name n)  (resid 66 and name ca)
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!
assign (resid 66 and name c)  (resid 67 and name n)
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assign (resid 67 and name n)  (resid 67 and name ca)
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!
assign (resid 67 and name c)  (resid 68 and name n)
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assign (resid 68 and name n)  (resid 68 and name ca)
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!
assign (resid 68 and name c)  (resid 69 and name n)
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assign (resid 69 and name n)  (resid 69 and name ca)
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!
assign (resid 69 and name c)  (resid 70 and name n)
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assign (resid 70 and name n)  (resid 70 and name ca)
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!
assign (resid 70 and name c)  (resid 71 and name n)
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assign (resid 71 and name n)  (resid 71 and name ca)
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!
assign (resid 71 and name c)  (resid 72 and name n)
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assign (resid 72 and name n)  (resid 72 and name ca)
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!
assign (resid 72 and name c)  (resid 73 and name n)
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assign (resid 73 and name n)  (resid 73 and name ca)
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!
assign (resid 73 and name c)  (resid 74 and name n)
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assign (resid 74 and name n)  (resid 74 and name ca)
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!
assign (resid 76 and name c)  (resid 77 and name n)
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assign (resid 77 and name n)  (resid 77 and name ca)
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!
assign (resid 77 and name c)  (resid 78 and name n)
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assign (resid 78 and name n)  (resid 78 and name ca)
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!
assign (resid 80 and name c)  (resid 81 and name n)
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assign (resid 81 and name n)  (resid 81 and name ca)
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!
assign (resid 81 and name c)  (resid 82 and name n)
         (resid 82 and name ca) (resid 82 and name c)     1.0  -96.16 20.42 2
assign (resid 82 and name n)  (resid 82 and name ca)
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!
assign (resid 82 and name c)  (resid 83 and name n)
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assign (resid 83 and name n)  (resid 83 and name ca)
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!
assign (resid 83 and name c)  (resid 84 and name n)
         (resid 84 and name ca) (resid 84 and name c)     1.0  -62.44 7.48 2
assign (resid 84 and name n)  (resid 84 and name ca)
         (resid 84 and name c)  (resid 85 and name n)     1.0  -41.53 8.08 2
!
assign (resid 84 and name c)  (resid 85 and name n)
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assign (resid 85 and name n)  (resid 85 and name ca)
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!
assign (resid 85 and name c)  (resid 86 and name n)
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assign (resid 86 and name n)  (resid 86 and name ca)
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!
assign (resid 86 and name c)  (resid 87 and name n)
         (resid 87 and name ca) (resid 87 and name c)     1.0  -68.82 7.41 2
assign (resid 87 and name n)  (resid 87 and name ca)
         (resid 87 and name c)  (resid 88 and name n)     1.0  -32.55 7.99 2
!
assign (resid 87 and name c)  (resid 88 and name n)
         (resid 88 and name ca) (resid 88 and name c)     1.0  -97.68 13.63 2
assign (resid 88 and name n)  (resid 88 and name ca)
         (resid 88 and name c)  (resid 89 and name n)     1.0   -1.71 11.62 2
!
assign (resid 88 and name c)  (resid 89 and name n)
         (resid 89 and name ca) (resid 89 and name c)     1.0  74.56 19.05 2
assign (resid 89 and name n)  (resid 89 and name ca)
         (resid 89 and name c)  (resid 90 and name n)     1.0  17.65 21.14 2
!
assign (resid 91 and name c)  (resid 92 and name n)
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assign (resid 92 and name n)  (resid 92 and name ca)
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!
assign (resid 92 and name c)  (resid 93 and name n)
         (resid 93 and name ca) (resid 93 and name c)     1.0  -63.36 5.03 2
assign (resid 93 and name n)  (resid 93 and name ca)
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!
assign (resid 93 and name c)  (resid 94 and name n)
         (resid 94 and name ca) (resid 94 and name c)     1.0  -70.30 6.75 2
assign (resid 94 and name n)  (resid 94 and name ca)
         (resid 94 and name c)  (resid 95 and name n)     1.0  -38.45 8.55 2
!
assign (resid 94 and name c)  (resid 95 and name n)
         (resid 95 and name ca) (resid 95 and name c)     1.0  -65.88 5.89 2
assign (resid 95 and name n)  (resid 95 and name ca)
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!
assign (resid 95 and name c)  (resid 96 and name n)
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assign (resid 96 and name n)  (resid 96 and name ca)
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!
assign (resid 96 and name c)  (resid 97 and name n)
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assign (resid 97 and name n)  (resid 97 and name ca)
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!
assign (resid 97 and name c)  (resid 98 and name n)
         (resid 98 and name ca) (resid 98 and name c)     1.0  -63.71 5.51 2
assign (resid 98 and name n)  (resid 98 and name ca)
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!
assign (resid 98 and name c)  (resid 99 and name n)
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assign (resid 99 and name n)  (resid 99 and name ca)
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!
assign (resid 99 and name c)  (resid 100 and name n)
         (resid 100 and name ca) (resid 100 and name c)     1.0  -64.16 5.04 2
assign (resid 100 and name n)  (resid 100 and name ca)
         (resid 100 and name c)  (resid 101 and name n)     1.0  -41.28 4.42 2
!
assign (resid 100 and name c)  (resid 101 and name n)
         (resid 101 and name ca) (resid 101 and name c)     1.0  -68.20 7.98 2
assign (resid 101 and name n)  (resid 101 and name ca)
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!
assign (resid 101 and name c)  (resid 102 and name n)
         (resid 102 and name ca) (resid 102 and name c)     1.0  -64.96 3.21 2
assign (resid 102 and name n)  (resid 102 and name ca)
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!
assign (resid 102 and name c)  (resid 103 and name n)
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assign (resid 103 and name n)  (resid 103 and name ca)
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!
assign (resid 103 and name c)  (resid 104 and name n)
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assign (resid 104 and name n)  (resid 104 and name ca)
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!
assign (resid 104 and name c)  (resid 105 and name n)
         (resid 105 and name ca) (resid 105 and name c)     1.0  -73.97 8.03 2
assign (resid 105 and name n)  (resid 105 and name ca)
         (resid 105 and name c)  (resid 106 and name n)     1.0  -31.92 12.41 2
!
assign (resid 105 and name c)  (resid 106 and name n)
         (resid 106 and name ca) (resid 106 and name c)     1.0  -86.22 20.39 2
assign (resid 106 and name n)  (resid 106 and name ca)
         (resid 106 and name c)  (resid 107 and name n)     1.0  -20.57 22.36 2

d12_hbond.tbl0100644000076600007640000001330110413406010011664 0ustar  sunuserassign (resid 11  and name hn ) (resid 7   and name o ) 1.80 0.00 0.50
assign (resid 11  and name  n ) (resid 7   and name o ) 2.70 0.10 0.50
assign (resid 12  and name hn ) (resid 8   and name o ) 1.80 0.00 0.50
assign (resid 12  and name  n ) (resid 8   and name o ) 2.70 0.10 0.50
assign (resid 13  and name hn ) (resid 9   and name o ) 1.80 0.00 0.50
assign (resid 13  and name  n ) (resid 9   and name o ) 2.70 0.10 0.50
assign (resid 14  and name hn ) (resid 10  and name o ) 1.80 0.00 0.50
assign (resid 14  and name  n ) (resid 10  and name o ) 2.70 0.10 0.50
assign (resid 15  and name hn ) (resid 11  and name o ) 1.80 0.00 0.50
assign (resid 15  and name  n ) (resid 11  and name o ) 2.70 0.10 0.50
assign (resid 16  and name hn ) (resid 12  and name o ) 1.80 0.00 0.50
assign (resid 16  and name  n ) (resid 12  and name o ) 2.70 0.10 0.50
assign (resid 17  and name hn ) (resid 13  and name o ) 1.80 0.00 0.50
assign (resid 17  and name  n ) (resid 13  and name o ) 2.70 0.10 0.50
assign (resid 23  and name hn ) (resid 20 and name o ) 2.00 0.20 0.70
assign (resid 23  and name  n ) (resid 20 and name o ) 3.00 0.20 0.50
assign (resid 32  and name hn ) (resid 29  and name o ) 1.80 0.00 0.50
assign (resid 32  and name  n ) (resid 29  and name o ) 2.70 0.10 0.50
assign (resid 32  and name he1) (resid 27 and name o ) 2.00 0.20 0.70
assign (resid 32  and name ne1) (resid 27 and name o ) 3.00 0.20 0.50
assign (resid 33  and name hn ) (resid 30  and name o ) 1.80 0.00 0.50
assign (resid 33  and name  n ) (resid 30  and name o ) 2.70 0.10 0.50
assign (resid 35  and name hn ) (resid 32  and name o ) 1.80 0.00 0.50
assign (resid 35  and name  n ) (resid 32  and name o ) 2.70 0.10 0.50
assign (resid 36  and name hn ) (resid 34  and name od#) 1.80 0.00 0.50
assign (resid 36  and name  n ) (resid 34  and name od#) 2.70 0.10 0.50
assign (resid 39  and name hn ) (resid 35  and name o ) 1.80 0.00 0.50
assign (resid 39  and name  n ) (resid 35  and name o ) 2.70 0.10 0.50 
assign (resid 40  and name hn ) (resid 36  and name o ) 1.80 0.00 0.50
assign (resid 40  and name  n ) (resid 36  and name o ) 2.70 0.10 0.50
assign (resid 41  and name hn ) (resid 37  and name o ) 1.80 0.00 0.50
assign (resid 41  and name  n ) (resid 37  and name o ) 2.70 0.10 0.50
assign (resid 42  and name hn ) (resid 38  and name o ) 1.80 0.00 0.50
assign (resid 42  and name  n ) (resid 38  and name o ) 2.70 0.10 0.50
assign (resid 43  and name hn ) (resid 39  and name o ) 1.80 0.00 0.50
assign (resid 43  and name  n ) (resid 39  and name o ) 2.70 0.10 0.50
assign (resid 45  and name hn ) (resid 41  and name o ) 1.80 0.00 0.50
assign (resid 45  and name  n ) (resid 41  and name o ) 2.70 0.10 0.50
assign (resid 54  and name hn ) (resid 51  and name o ) 1.80 0.00 0.50
assign (resid 54  and name  n ) (resid 51  and name o ) 2.70 0.10 0.50
assign (resid 63  and name hn ) (resid 59  and name o ) 1.80 0.00 0.50
assign (resid 63  and name  n ) (resid 59  and name o ) 2.70 0.10 0.50
assign (resid 64  and name hn ) (resid 60  and name o ) 1.80 0.00 0.50
assign (resid 64  and name  n ) (resid 60  and name o ) 2.70 0.10 0.50
assign (resid 65  and name hn ) (resid 61  and name o ) 1.80 0.00 0.50
assign (resid 65  and name  n ) (resid 61  and name o ) 2.70 0.10 0.50
assign (resid 66  and name hn ) (resid 62  and name o ) 1.80 0.00 0.50
assign (resid 66  and name  n ) (resid 62  and name o ) 2.70 0.10 0.50
assign (resid 67  and name hn ) (resid 63  and name o ) 1.80 0.00 0.50
assign (resid 67  and name  n ) (resid 63  and name o ) 2.70 0.10 0.50
assign (resid 68  and name hn ) (resid 64  and name o ) 1.80 0.00 0.50
assign (resid 68  and name  n ) (resid 64  and name o ) 2.70 0.10 0.50
assign (resid 69  and name hn ) (resid 65  and name o ) 1.80 0.00 0.50
assign (resid 69  and name  n ) (resid 65  and name o ) 2.70 0.10 0.50
assign (resid 70  and name hn ) (resid 66  and name o ) 1.80 0.00 0.50
assign (resid 70  and name  n ) (resid 66  and name o ) 2.70 0.10 0.50
assign (resid 71  and name hn ) (resid 67  and name o ) 1.80 0.00 0.50
assign (resid 71  and name  n ) (resid 67  and name o ) 2.70 0.10 0.50
assign (resid 72  and name hn ) (resid 68  and name o ) 1.80 0.00 0.50
assign (resid 72  and name  n ) (resid 68  and name o ) 2.70 0.10 0.50
assign (resid 75  and name hn ) (resid 71  and name o ) 1.80 0.00 0.50
assign (resid 75  and name  n ) (resid 71  and name o ) 2.70 0.10 0.50
assign (resid 86  and name hn ) (resid 82  and name o ) 1.80 0.00 0.50
assign (resid 86  and name  n ) (resid 82  and name o ) 2.70 0.10 0.50
assign (resid 87  and name hn ) (resid 83  and name o ) 1.80 0.00 0.50
assign (resid 87  and name  n ) (resid 83  and name o ) 2.70 0.10 0.50
assign (resid 88  and name hn ) (resid 84  and name o ) 1.80 0.00 0.50
assign (resid 88  and name  n ) (resid 84  and name o ) 2.70 0.10 0.50
assign (resid 95  and name hn ) (resid 91  and name o ) 1.80 0.00 0.50
assign (resid 95  and name  n ) (resid 91  and name o ) 2.70 0.10 0.50
assign (resid 96  and name hn ) (resid 92  and name o ) 1.80 0.00 0.50
assign (resid 96  and name  n ) (resid 92  and name o ) 2.70 0.10 0.50
assign (resid 97  and name hn ) (resid 93  and name o ) 1.80 0.00 0.50
assign (resid 97  and name  n ) (resid 93  and name o ) 2.70 0.10 0.50
assign (resid 98  and name hn ) (resid 94  and name o ) 1.80 0.00 0.50
assign (resid 98  and name  n ) (resid 94  and name o ) 2.70 0.10 0.50
assign (resid 99  and name hn ) (resid 95  and name o ) 1.80 0.00 0.50
assign (resid 99  and name  n ) (resid 95  and name o ) 2.70 0.10 0.50
assign (resid 100  and name hn ) (resid 96  and name o ) 1.80 0.00 0.50
assign (resid 100  and name  n ) (resid 96  and name o ) 2.70 0.10 0.50
assign (resid 102  and name hn ) (resid 98  and name o ) 1.80 0.00 0.50
assign (resid 102  and name  n ) (resid 98  and name o ) 2.70 0.10 0.50
noe_all.tbl0100644000076600007640000037213410413674534011573 0ustar  sunuser!M0
assign (resid  0 and name ha  ) (resid  1 and name hn  ) 1.80 0.00 2.20
assign (resid  0 and name ha  ) (resid  4 and name hn  ) 1.80 0.00 3.20
!G1
assign (resid  1 and name ha# ) (resid  1 and name hn  ) 1.80 0.00 2.20
assign (resid  1 and name ha# ) (resid  2 and name hn  ) 1.80 0.00 2.20
assign (resid  1 and name ha# ) (resid  4 and name hn  ) 1.80 0.00 2.20
assign (resid  1 and name ha# ) (resid  5 and name hn  ) 1.80 0.00 3.20
assign (resid  1 and name hn  ) (resid  2 and name hn  ) 1.80 0.00 1.20
assign (resid  1 and name hn  ) (resid  3 and name hn  ) 1.80 0.00 3.20
!S2
assign (resid  2 and name ha  ) (resid  3 and name hn  ) 1.80 0.00 2.20
assign (resid  2 and name ha  ) (resid  2 and name hn  ) 1.80 0.00 2.20
assign (resid  2 and name ha  ) (resid  4 and name hn  ) 1.80 0.00 3.20
assign (resid  2 and name ha  ) (resid  5 and name hn  ) 1.80 0.00 2.20
assign (resid  2 and name hb1 ) (resid  2 and name hn  ) 1.80 0.00 3.20
assign (resid  2 and name hb2 ) (resid  2 and name hn  ) 1.80 0.00 3.20
assign (resid  2 and name hb# ) (resid  3 and name hn  ) 1.80 0.00 2.20
assign (resid  2 and name hn  ) (resid  3 and name hn  ) 1.80 0.00 1.20
assign (resid  2 and name hn  ) (resid  4 and name hn  ) 1.80 0.00 3.20
!A3
assign (resid  3 and name ha  ) (resid  3 and name hn  ) 1.80 0.00 2.20
assign (resid  3 and name ha  ) (resid  4 and name hn  ) 1.80 0.00 2.20
assign (resid  3 and name ha  ) (resid  6 and name hn  ) 1.80 0.00 2.20
assign (resid  3 and name hb# ) (resid  3 and name hn  ) 1.80 0.00 1.20
assign (resid  3 and name hb# ) (resid  4 and name hn  ) 1.80 0.00 2.20
assign (resid  3 and name hn  ) (resid  4 and name hn  ) 1.80 0.00 1.20
assign (resid  3 and name hn  ) (resid  5 and name hn  ) 1.80 0.00 3.20
!G4
assign (resid  4 and name ha1 ) (resid  4 and name hn  ) 1.80 0.00 2.20
assign (resid  4 and name ha2 ) (resid  4 and name hn  ) 1.80 0.00 2.20
assign (resid  4 and name ha# ) (resid  5 and name hn  ) 1.80 0.00 2.20
assign (resid  4 and name ha# ) (resid  6 and name hn  ) 1.80 0.00 3.20
assign (resid  4 and name ha# ) (resid  7 and name hn  ) 1.80 0.00 2.20
assign (resid  4 and name hn  ) (resid  5 and name hn  ) 1.80 0.00 1.20
assign (resid  4 and name hn  ) (resid  6 and name hn  ) 1.80 0.00 3.20
!T5
assign (resid  5 and name ha  ) (resid  5 and name hn  ) 1.80 0.00 2.20
assign (resid  5 and name ha  ) (resid  6 and name hn  ) 1.80 0.00 2.20
assign (resid  5 and name ha  ) (resid  7 and name hn  ) 1.80 0.00 3.20
assign (resid  5 and name ha  ) (resid  8 and name hn  ) 1.80 0.00 2.20
assign (resid  5 and name hb  ) (resid  5 and name hn  ) 1.80 0.00 2.20
assign (resid  5 and name hb  ) (resid  6 and name hn  ) 1.80 0.00 2.20
assign (resid  5 and name hg2#) (resid  5 and name hn  ) 1.80 0.00 3.20
assign (resid  5 and name hn  ) (resid  6 and name hb# ) 1.80 0.00 4.20
assign (resid  5 and name hn  ) (resid  6 and name hn  ) 1.80 0.00 1.20
assign (resid  5 and name hn  ) (resid  7 and name hn  ) 1.80 0.00 3.20
assign (resid  5 and name hn  ) (resid  7 and name hb# ) 1.80 0.00 4.20
assign (resid  5 and name hn  ) (resid  8 and name hn  ) 1.80 0.00 4.20
assign (resid  5 and name hn  ) (resid  8 and name hg# ) 1.80 0.00 4.20
assign (resid  5 and name hb  ) (resid  7 and name hn  ) 1.80 0.00 4.20
!Q6
assign (resid  6 and name ha  ) (resid  6 and name hn  ) 1.80 0.00 2.20
assign (resid  6 and name ha  ) (resid  7 and name hn  ) 1.80 0.00 2.20
assign (resid  6 and name ha  ) (resid  8 and name hn  ) 1.80 0.00 3.20
assign (resid  6 and name ha  ) (resid  9 and name hn  ) 1.80 0.00 2.20
assign (resid  6 and name hb1 ) (resid  6 and name hn  ) 1.80 0.00 3.20
assign (resid  6 and name hb2 ) (resid  6 and name hn  ) 1.80 0.00 3.20
assign (resid  6 and name hb# ) (resid  6 and name hn  ) 1.80 0.00 2.20
assign (resid  6 and name hb1 ) (resid  7 and name hn  ) 1.80 0.00 2.20
assign (resid  6 and name hb2 ) (resid  7 and name hn  ) 1.80 0.00 2.20
assign (resid  6 and name hg# ) (resid  6 and name hn  ) 1.80 0.00 3.20
assign (resid  6 and name hg# ) (resid  7 and name hn  ) 1.80 0.00 3.20
assign (resid  6 and name hg# ) (resid  6 and name he21) 1.80 0.00 3.20
assign (resid  6 and name hg# ) (resid  6 and name he22) 1.80 0.00 3.20
assign (resid  6 and name hb# ) (resid  6 and name he2#) 1.80 0.00 4.20
assign (resid  6 and name hn  ) (resid  7 and name hb# ) 1.80 0.00 3.20
assign (resid  6 and name hn  ) (resid  7 and name hn  ) 1.80 0.00 1.20
assign (resid  6 and name hn  ) (resid  8 and name hn  ) 1.80 0.00 3.20
assign (resid  6 and name he21 ) (resid  96 and name hd1# ) 1.80 0.00 4.20
assign (resid  6 and name he22 ) (resid  96 and name hd1# ) 1.80 0.00 4.20
!E7
assign (resid  7 and name ha  ) (resid  7 and name hn  ) 1.80 0.00 2.20
assign (resid  7 and name ha  ) (resid  8 and name hn  ) 1.80 0.00 2.20
assign (resid  7 and name ha  ) (resid  9 and name hn  ) 1.80 0.00 3.20
assign (resid  7 and name ha  ) (resid 10 and name hn  ) 1.80 0.00 2.20
assign (resid  7 and name hb1 ) (resid  7 and name hn  ) 1.80 0.00 2.20
assign (resid  7 and name hb2 ) (resid  7 and name hn  ) 1.80 0.00 2.20
assign (resid  7 and name hb# ) (resid  7 and name hn  ) 1.80 0.00 1.20
assign (resid  7 and name hb1 ) (resid  8 and name hn  ) 1.80 0.00 3.20
assign (resid  7 and name hb2 ) (resid  8 and name hn  ) 1.80 0.00 3.20
assign (resid  7 and name hb# ) (resid  8 and name hn  ) 1.80 0.00 1.20
assign (resid  7 and name hg# ) (resid  7 and name hn  ) 1.80 0.00 3.20
assign (resid  7 and name hn  ) (resid  8 and name hn  ) 1.80 0.00 1.20
assign (resid  7 and name hn  ) (resid  9 and name hn  ) 1.80 0.00 3.20
!E8
assign (resid  8 and name ha  ) (resid  8 and name hn  ) 1.80 0.00 2.20
assign (resid  8 and name ha  ) (resid  9 and name hn  ) 1.80 0.00 2.20
assign (resid  8 and name ha  ) (resid 10 and name hn  ) 1.80 0.00 3.20
assign (resid  8 and name ha  ) (resid 11 and name hn  ) 1.80 0.00 2.20
assign (resid  8 and name ha  ) (resid 12 and name hn  ) 1.80 0.00 3.20
assign (resid  8 and name hb1 ) (resid  8 and name hn  ) 1.80 0.00 2.20
assign (resid  8 and name hb2 ) (resid  8 and name hn  ) 1.80 0.00 2.20
assign (resid  8 and name hb1 ) (resid  9 and name hn  ) 1.80 0.00 3.20
assign (resid  8 and name hb2 ) (resid  9 and name hn  ) 1.80 0.00 3.20
assign (resid  8 and name hb# ) (resid  9 and name hn  ) 1.80 0.00 2.20
assign (resid  8 and name hg# ) (resid  8 and name hn  ) 1.80 0.00 3.20
assign (resid  8 and name hg# ) (resid  9 and name hn  ) 1.80 0.00 4.20
assign (resid  8 and name hn  ) (resid  9 and name hn  ) 1.80 0.00 1.20
assign (resid  8 and name hn  ) (resid 10 and name hn  ) 1.80 0.00 3.20
!L9
assign (resid  9 and name ha  ) (resid  9 and name hn  ) 1.80 0.00 2.20
assign (resid  9 and name ha  ) (resid 10 and name hn  ) 1.80 0.00 2.20
assign (resid  9 and name ha  ) (resid 11 and name hn  ) 1.80 0.00 3.20
assign (resid  9 and name ha  ) (resid 12 and name hn  ) 1.80 0.00 2.20
assign (resid  9 and name hb1 ) (resid  9 and name hn  ) 1.80 0.00 2.20
assign (resid  9 and name hb2 ) (resid  9 and name hn  ) 1.80 0.00 2.20
assign (resid  9 and name hb# ) (resid  9 and name hn  ) 1.80 0.00 1.20
assign (resid  9 and name hb1 ) (resid 10 and name hn  ) 1.80 0.00 3.20
assign (resid  9 and name hb2 ) (resid 10 and name hn  ) 1.80 0.00 3.20
assign (resid  9 and name hb# ) (resid 10 and name hn  ) 1.80 0.00 2.20
assign (resid  9 and name hd1#) (resid  9 and name hn  ) 1.80 0.00 4.20
assign (resid  9 and name hd2#) (resid  9 and name hn  ) 1.80 0.00 4.20
assign (resid  9 and name hd* ) (resid 13 and name hn  ) 1.80 0.00 4.20
assign (resid  9 and name hn  ) (resid 10 and name hn  ) 1.80 0.00 1.20
assign (resid  9 and name hn  ) (resid 11 and name hn  ) 1.80 0.00 3.20
!L10
assign (resid 10 and name ha  ) (resid 10 and name hn  ) 1.80 0.00 2.20
assign (resid 10 and name ha  ) (resid 11 and name hn  ) 1.80 0.00 2.20
assign (resid 10 and name ha  ) (resid 12 and name hn  ) 1.80 0.00 3.20
assign (resid 10 and name ha  ) (resid 13 and name hn  ) 1.80 0.00 2.20
assign (resid 10 and name hb1 ) (resid 10 and name hn  ) 1.80 0.00 2.20
assign (resid 10 and name hb2 ) (resid 10 and name hn  ) 1.80 0.00 2.20
assign (resid 10 and name hb# ) (resid 10 and name hn  ) 1.80 0.00 1.20
assign (resid 10 and name hb1 ) (resid 11 and name hn  ) 1.80 0.00 3.20
assign (resid 10 and name hb2 ) (resid 11 and name hn  ) 1.80 0.00 3.20
assign (resid 10 and name hb# ) (resid 11 and name hn  ) 1.80 0.00 2.20
assign (resid 10 and name hg  ) (resid 11 and name hn  ) 1.80 0.00 4.20
assign (resid 10 and name hd1#) (resid 10 and name hn  ) 1.80 0.00 4.20
assign (resid 10 and name hd2#) (resid 10 and name hn  ) 1.80 0.00 4.20
assign (resid 10 and name hd* ) (resid 10 and name hn  ) 1.80 0.00 4.20
assign (resid 10 and name hd1#) (resid 11 and name hn  ) 1.80 0.00 4.20
assign (resid 10 and name hd2#) (resid 11 and name hn  ) 1.80 0.00 4.20
assign (resid 10 and name hd* ) (resid 14 and name hn  ) 1.80 0.00 4.20
assign (resid 10 and name hn  ) (resid 11 and name hn  ) 1.80 0.00 1.20
assign (resid 10 and name hn  ) (resid 12 and name hn  ) 1.80 0.00 3.20
assign (resid 10 and name hn  ) (resid 28 and name hd* ) 1.80 0.00 4.20
!R11
assign (resid 11 and name ha  ) (resid 11 and name hn  ) 1.80 0.00 2.20
assign (resid 11 and name ha  ) (resid 12 and name hn  ) 1.80 0.00 2.20
assign (resid 11 and name ha  ) (resid 13 and name hn  ) 1.80 0.00 3.20
assign (resid 11 and name hb# ) (resid 12 and name hn  ) 1.80 0.00 2.20
assign (resid 11 and name ha  ) (resid 14 and name hn  ) 1.80 0.00 2.20
assign (resid 11 and name hb1 ) (resid 11 and name hn  ) 1.80 0.00 2.20
assign (resid 11 and name hb2 ) (resid 11 and name hn  ) 1.80 0.00 2.20
assign (resid 11 and name hg1 ) (resid 11 and name hn  ) 1.80 0.00 2.20
assign (resid 11 and name hg2 ) (resid 11 and name hn  ) 1.80 0.00 2.20
assign (resid 11 and name hd# ) (resid 11 and name hn  ) 1.80 0.00 4.20
assign (resid 11 and name hn  ) (resid 12 and name hn  ) 1.80 0.00 1.20
assign (resid 11 and name hn  ) (resid 13 and name hn  ) 1.80 0.00 3.20
!W12
assign (resid 12 and name ha  ) (resid 12 and name hn  ) 1.80 0.00 2.20
assign (resid 12 and name ha  ) (resid 13 and name hn  ) 1.80 0.00 2.20
assign (resid 12 and name ha  ) (resid 14 and name hn  ) 1.80 0.00 3.20
assign (resid 12 and name ha  ) (resid 15 and name hn  ) 1.80 0.00 2.20
assign (resid 12 and name hb1 ) (resid 12 and name hn  ) 1.80 0.00 2.20
assign (resid 12 and name hb2 ) (resid 12 and name hn  ) 1.80 0.00 2.20
assign (resid 12 and name hb# ) (resid 13 and name hn  ) 1.80 0.00 2.20
assign (resid 12 and name hn  ) (resid 12 and name hd1 ) 1.80 0.00 4.20
assign (resid 12 and name hn  ) (resid 12 and name he3 ) 1.80 0.00 4.20
assign (resid 12 and name hn  ) (resid 13 and name hn  ) 1.80 0.00 1.20
assign (resid 12 and name hn  ) (resid 14 and name hn  ) 1.80 0.00 3.20
assign (resid 12 and name he1 ) (resid 12 and name hd1 ) 1.80 0.00 2.20
assign (resid 12 and name he1 ) (resid 12 and name hz2 ) 1.80 0.00 2.20
assign (resid 12 and name he1 ) (resid 12 and name hh2 ) 1.80 0.00 4.20
assign (resid 12 and name he1 ) (resid 16 and name hg# ) 1.80 0.00 3.20
assign (resid 12 and name he1 ) (resid 103 and name ha ) 1.80 0.00 4.20
assign (resid 12 and name he1 ) (resid 107 and name ha ) 1.80 0.00 4.20
assign (resid 12 and name hz2 ) (resid 107 and name hn ) 1.80 0.00 4.20
assign (resid 12 and name he3  ) (resid 13 and name hn ) 1.80 0.00 3.20
!C13
assign (resid 13 and name ha  ) (resid 13 and name hn  ) 1.80 0.00 2.20
assign (resid 13 and name ha  ) (resid 14 and name hn  ) 1.80 0.00 2.20
assign (resid 13 and name ha  ) (resid 15 and name hn  ) 1.80 0.00 3.20
assign (resid 13 and name ha  ) (resid 16 and name hn  ) 1.80 0.00 2.20
assign (resid 13 and name hb1 ) (resid 13 and name hn  ) 1.80 0.00 3.20
assign (resid 13 and name hb2 ) (resid 13 and name hn  ) 1.80 0.00 3.20
assign (resid 13 and name hb# ) (resid 13 and name hn  ) 1.80 0.00 2.20
assign (resid 13 and name hb# ) (resid 14 and name hn  ) 1.80 0.00 2.20
assign (resid 13 and name hn  ) (resid 14 and name hn  ) 1.80 0.00 1.20
assign (resid 13 and name hn  ) (resid 15 and name hn  ) 1.80 0.00 3.20
!Q14
assign (resid 14 and name ha  ) (resid 14 and name hn  ) 1.80 0.00 2.20
assign (resid 14 and name ha  ) (resid 15 and name hn  ) 1.80 0.00 2.20
assign (resid 14 and name ha  ) (resid 16 and name hn  ) 1.80 0.00 3.20
assign (resid 14 and name ha  ) (resid 17 and name hn  ) 1.80 0.00 3.20
assign (resid 14 and name ha  ) (resid 18 and name hn  ) 1.80 0.00 4.20
assign (resid 14 and name hb1 ) (resid 14 and name hn  ) 1.80 0.00 3.20
assign (resid 14 and name hb2 ) (resid 14 and name hn  ) 1.80 0.00 3.20
assign (resid 14 and name hb# ) (resid 14 and name hn  ) 1.80 0.00 2.20
assign (resid 14 and name hb1 ) (resid 15 and name hn  ) 1.80 0.00 3.20
assign (resid 14 and name hb2 ) (resid 15 and name hn  ) 1.80 0.00 3.20
assign (resid 14 and name hb# ) (resid 15 and name hn  ) 1.80 0.00 2.20
assign (resid 14 and name hg1 ) (resid 14 and name hn  ) 1.80 0.00 4.20
assign (resid 14 and name hg2 ) (resid 14 and name hn  ) 1.80 0.00 4.20
assign (resid 14 and name hg1 ) (resid 14 and name he22 ) 1.80 0.00 3.20
assign (resid 14 and name hg2 ) (resid 14 and name he21 ) 1.80 0.00 3.20
assign (resid 14 and name hg2 ) (resid 14 and name he22 ) 1.80 0.00 2.70
assign (resid 14 and name hn  ) (resid 15 and name hn  ) 1.80 0.00 1.20
assign (resid 14 and name hn  ) (resid 16 and name hn  ) 1.80 0.00 3.20
assign (resid 14 and name hn  ) (resid 25 and name hg* ) 1.80 0.00 4.20
!E15
assign (resid 15 and name ha  ) (resid 15 and name hn  ) 1.80 0.00 2.20
assign (resid 15 and name ha  ) (resid 16 and name hn  ) 1.80 0.00 2.20
assign (resid 15 and name ha  ) (resid 18 and name hn  ) 1.80 0.00 2.20
assign (resid 15 and name hb1 ) (resid 15 and name hn  ) 1.80 0.00 2.20
assign (resid 15 and name hb2 ) (resid 15 and name hn  ) 1.80 0.00 2.20
assign (resid 15 and name hb1 ) (resid 16 and name hn  ) 1.80 0.00 3.20
assign (resid 15 and name hb2 ) (resid 16 and name hn  ) 1.80 0.00 3.20
assign (resid 15 and name hb# ) (resid 16 and name hn  ) 1.80 0.00 2.20
assign (resid 15 and name hg1 ) (resid 15 and name hn  ) 1.80 0.00 3.20
assign (resid 15 and name hg2 ) (resid 15 and name hn  ) 1.80 0.00 3.20
assign (resid 15 and name hg# ) (resid 16 and name hn  ) 1.80 0.00 4.20
assign (resid 15 and name hn  ) (resid 16 and name hn  ) 1.80 0.00 1.20
assign (resid 15 and name hn  ) (resid 17 and name hn  ) 1.80 0.00 3.20
!Q16
assign (resid 16 and name ha  ) (resid 16 and name hn  ) 1.80 0.00 2.20
assign (resid 16 and name ha  ) (resid 17 and name hn  ) 1.80 0.00 2.20
assign (resid 16 and name hb1 ) (resid 16 and name hn  ) 1.80 0.00 3.20
assign (resid 16 and name hb2 ) (resid 16 and name hn  ) 1.80 0.00 3.20
assign (resid 16 and name hb# ) (resid 16 and name hn  ) 1.80 0.00 2.20
assign (resid 16 and name hb1 ) (resid 17 and name hn  ) 1.80 0.00 3.20
assign (resid 16 and name hb2 ) (resid 17 and name hn  ) 1.80 0.00 3.20
assign (resid 16 and name hb# ) (resid 17 and name hn  ) 1.80 0.00 1.20
assign (resid 16 and name hg1 ) (resid 16 and name hn  ) 1.80 0.00 3.20
assign (resid 16 and name hg2 ) (resid 16 and name hn  ) 1.80 0.00 3.20
assign (resid 16 and name hn  ) (resid 17 and name hn  ) 1.80 0.00 1.20
assign (resid 16 and name hn  ) (resid 18 and name hn  ) 1.80 0.00 3.20
!T17
assign (resid 17 and name ha  ) (resid 17 and name hn  ) 1.80 0.00 2.20
assign (resid 17 and name ha  ) (resid 18 and name hn  ) 1.80 0.00 2.20
assign (resid 17 and name ha  ) (resid 20 and name hn  ) 1.80 0.00 4.20
assign (resid 17 and name hb  ) (resid 17 and name hn  ) 1.80 0.00 2.20
assign (resid 17 and name hg2#) (resid 17 and name hn  ) 1.80 0.00 3.20
assign (resid 17 and name hg2#) (resid 18 and name hn  ) 1.80 0.00 3.20
assign (resid 17 and name hg2#) (resid 41 and name hn  ) 1.80 0.00 4.20
assign (resid 17 and name hn  ) (resid 18 and name hb# ) 1.80 0.00 4.20
assign (resid 17 and name hn  ) (resid 18 and name hn  ) 1.80 0.00 1.20
!A18
assign (resid 18 and name ha  ) (resid 18 and name hn  ) 1.80 0.00 2.20
assign (resid 18 and name ha  ) (resid 19 and name hn  ) 1.80 0.00 1.20
assign (resid 18 and name hb# ) (resid 18 and name hn  ) 1.80 0.00 1.20
assign (resid 18 and name hb# ) (resid 19 and name hn  ) 1.80 0.00 2.20
assign (resid 18 and name hn  ) (resid 19 and name hn  ) 1.80 0.00 3.20
assign (resid 18 and name hn  ) (resid 20 and name hn  ) 1.80 0.00 4.20
assign (resid 18 and name hn  ) (resid 20 and name hd# ) 1.80 0.00 4.20
!G19
assign (resid 19 and name ha1 ) (resid 19 and name hn  ) 1.80 0.00 2.20
assign (resid 19 and name ha2 ) (resid 19 and name hn  ) 1.80 0.00 2.20
assign (resid 19 and name ha1 ) (resid 20 and name hn  ) 1.80 0.00 2.20
assign (resid 19 and name ha2 ) (resid 20 and name hn  ) 1.80 0.00 2.20
assign (resid 19 and name ha# ) (resid 20 and name hn  ) 1.80 0.00 1.20
assign (resid 19 and name hn  ) (resid 20 and name hn  ) 1.80 0.00 1.20
!Y20
assign (resid 20 and name ha  ) (resid 20 and name hn  ) 1.80 0.00 2.20
assign (resid 20 and name hb1 ) (resid 20 and name hn  ) 1.80 0.00 2.20
assign (resid 20 and name hb2 ) (resid 20 and name hn  ) 1.80 0.00 2.20
assign (resid 20 and name hb# ) (resid 20 and name hn  ) 1.80 0.00 1.20
assign (resid 20 and name hb1 ) (resid 20 and name hd# ) 1.80 0.00 2.20
assign (resid 20 and name hb2 ) (resid 20 and name hd# ) 1.80 0.00 2.20
assign (resid 20 and name hb# ) (resid 23 and name hn  ) 1.80 0.00 3.20
assign (resid 20 and name hn  ) (resid 20 and name hd1 ) 1.80 0.00 3.20
assign (resid 20 and name hn  ) (resid 20 and name hd2 ) 1.80 0.00 1.20
assign (resid 20 and name hn  ) (resid 20 and name he1 ) 1.80 0.00 4.20
assign (resid 20 and name hn  ) (resid 20 and name he2 ) 1.80 0.00 4.20
assign (resid 20 and name hn  ) (resid 21 and name hd1 ) 1.80 0.00 4.20
assign (resid 20 and name hn  ) (resid 21 and name hd2 ) 1.80 0.00 4.20
assign (resid 20 and name hn  ) (resid 23 and name hb  ) 1.80 0.00 4.20
assign (resid 20 and name hn  ) (resid 23 and name hn  ) 1.80 0.00 4.20
assign (resid 20 and name hn  ) (resid 23 and name hg* ) 1.80 0.00 4.20
!P21
assign (resid 21 and name ha  ) (resid 22 and name hn  ) 1.80 0.00 1.20
assign (resid 21 and name hb1 ) (resid 22 and name hn  ) 1.80 0.00 3.20
assign (resid 21 and name hb2 ) (resid 22 and name hn  ) 1.80 0.00 3.20
!G22
assign (resid 22 and name ha1 ) (resid 22 and name hn  ) 1.80 0.00 2.20
assign (resid 22 and name ha2 ) (resid 22 and name hn  ) 1.80 0.00 1.20
assign (resid 22 and name ha1 ) (resid 23 and name hn  ) 1.80 0.00 3.20
assign (resid 22 and name ha2 ) (resid 23 and name hn  ) 1.80 0.00 3.20
assign (resid 22 and name ha# ) (resid 23 and name hn  ) 1.80 0.00 2.20
assign (resid 22 and name hn  ) (resid 23 and name hn  ) 1.80 0.00 1.20
assign (resid 22 and name hn  ) (resid 24 and name hn  ) 1.80 0.00 4.20
assign (resid 22 and name hn  ) (resid 23 and name hg1#) 1.80 0.00 4.20
!V23
assign (resid 23 and name ha  ) (resid 23 and name hn  ) 1.80 0.00 2.20
assign (resid 23 and name ha  ) (resid 24 and name hn  ) 1.80 0.00 1.20
assign (resid 23 and name hb  ) (resid 23 and name hn  ) 1.80 0.00 1.20
assign (resid 23 and name hb  ) (resid 24 and name hn  ) 1.80 0.00 4.20
assign (resid 23 and name hg1#) (resid 23 and name hn  ) 1.80 0.00 4.20
assign (resid 23 and name hg2#) (resid 23 and name hn  ) 1.80 0.00 4.20
assign (resid 23 and name hg* ) (resid 23 and name hn  ) 1.80 0.00 2.20
assign (resid 23 and name hg* ) (resid 24 and name hn  ) 1.80 0.00 3.20
assign (resid 23 and name hg* ) (resid 25 and name hn  ) 1.80 0.00 4.20
assign (resid 23 and name hg* ) (resid 37 and name hn  ) 1.80 0.00 4.20
assign (resid 23 and name hg* ) (resid 40 and name hn  ) 1.80 0.00 4.20
assign (resid 23 and name hn  ) (resid 24 and name hn  ) 1.80 0.00 3.70
!H24
assign (resid 24 and name ha  ) (resid 24 and name hn  ) 1.80 0.00 2.20
assign (resid 24 and name ha  ) (resid 25 and name hn  ) 1.80 0.00 1.20
assign (resid 24 and name hb1 ) (resid 24 and name hn  ) 1.80 0.00 3.20
assign (resid 24 and name hb2 ) (resid 24 and name hn  ) 1.80 0.00 3.20
assign (resid 24 and name hb# ) (resid 24 and name hn  ) 1.80 0.00 3.20
assign (resid 24 and name hb1 ) (resid 25 and name hn  ) 1.80 0.00 4.20
assign (resid 24 and name hb2 ) (resid 25 and name hn  ) 1.80 0.00 4.20
assign (resid 24 and name hn  ) (resid 25 and name hn  ) 1.80 0.00 4.20
!V25
assign (resid 25 and name ha  ) (resid 25 and name hn  ) 1.80 0.00 2.20
assign (resid 25 and name ha  ) (resid 26 and name hn  ) 1.80 0.00 1.20
assign (resid 25 and name ha  ) (resid 27 and name hn  ) 1.80 0.00 2.20
assign (resid 25 and name hb  ) (resid 25 and name hn  ) 1.80 0.00 2.20
assign (resid 25 and name hg1#) (resid 25 and name hn  ) 1.80 0.00 4.20
assign (resid 25 and name hg2#) (resid 25 and name hn  ) 1.80 0.00 3.20
assign (resid 25 and name hg1#) (resid 26 and name hn  ) 1.80 0.00 3.20
assign (resid 25 and name hg2#) (resid 26 and name hn  ) 1.80 0.00 4.20
assign (resid 25 and name hg1#) (resid 27 and name hn  ) 1.80 0.00 2.20
assign (resid 25 and name hg2#) (resid 27 and name hn  ) 1.80 0.00 4.20
assign (resid 25 and name hg* ) (resid 32 and name he1 ) 1.80 0.00 3.20
assign (resid 25 and name hn  ) (resid 26 and name hn  ) 1.80 0.00 4.20
assign (resid 25 and name hn  ) (resid 31 and name hb# ) 1.80 0.00 4.20
!S26
assign (resid 26 and name ha  ) (resid 26 and name hn  ) 1.80 0.00 2.20
assign (resid 26 and name ha  ) (resid 27 and name hn  ) 1.80 0.00 1.20
assign (resid 26 and name hb1 ) (resid 26 and name hn  ) 1.80 0.00 3.20
assign (resid 26 and name hb2 ) (resid 26 and name hn  ) 1.80 0.00 3.20
assign (resid 26 and name hb# ) (resid 26 and name hn  ) 1.80 0.00 1.20
assign (resid 26 and name hb# ) (resid 27 and name hn  ) 1.80 0.00 3.20
assign (resid 26 and name hn  ) (resid 27 and name hn  ) 1.80 0.00 1.20
assign (resid 26 and name hn  ) (resid 31 and name hb# ) 1.80 0.00 2.20
!D27
assign (resid 27 and name ha  ) (resid 27 and name hn  ) 1.80 0.00 2.20
assign (resid 27 and name ha  ) (resid 28 and name hn  ) 1.80 0.00 2.20
assign (resid 27 and name hb# ) (resid 27 and name hn  ) 1.80 0.00 2.20
assign (resid 27 and name hb1 ) (resid 28 and name hn  ) 1.80 0.00 2.20
assign (resid 27 and name hb2 ) (resid 28 and name hn  ) 1.80 0.00 2.20
assign (resid 27 and name hb# ) (resid 28 and name hn  ) 1.80 0.00 1.20
assign (resid 27 and name hb# ) (resid 29 and name hn  ) 1.80 0.00 2.20
assign (resid 27 and name hn  ) (resid 28 and name hn  ) 1.80 0.00 3.20
assign (resid 27 and name hn  ) (resid 31 and name hb# ) 1.80 0.00 3.20
!L28
assign (resid 28 and name ha  ) (resid 28 and name hn  ) 1.80 0.00 2.20
assign (resid 28 and name ha  ) (resid 29 and name hn  ) 1.80 0.00 2.20
assign (resid 28 and name ha  ) (resid 32 and name he1 ) 1.80 0.00 2.20
assign (resid 28 and name hb1 ) (resid 28 and name hn  ) 1.80 0.00 3.20
assign (resid 28 and name hb2 ) (resid 28 and name hn  ) 1.80 0.00 3.20
assign (resid 28 and name hb# ) (resid 28 and name hn  ) 1.80 0.00 2.20
assign (resid 28 and name hd1#) (resid 28 and name hn  ) 1.80 0.00 4.20
assign (resid 28 and name hd2#) (resid 28 and name hn  ) 1.80 0.00 4.20
assign (resid 28 and name hd* ) (resid 29 and name hn  ) 1.80 0.00 4.20
assign (resid 28 and name hd* ) (resid 32 and name he1 ) 1.80 0.00 3.20
assign (resid 28 and name hg  ) (resid 28 and name hn  ) 1.80 0.00 3.20
assign (resid 28 and name hg  ) (resid 29 and name hn  ) 1.80 0.00 4.20
assign (resid 28 and name hn  ) (resid 29 and name hn  ) 1.80 0.00 1.20
!S29
assign (resid 29 and name ha  ) (resid 29 and name hn  ) 1.80 0.00 2.20
assign (resid 29 and name ha  ) (resid 30 and name hn  ) 1.80 0.00 3.20
assign (resid 29 and name ha  ) (resid 31 and name hn  ) 1.80 0.00 4.20
assign (resid 29 and name ha  ) (resid 32 and name hn  ) 1.80 0.00 4.20
assign (resid 29 and name hb1 ) (resid 29 and name hn  ) 1.80 0.00 3.20
assign (resid 29 and name hb2 ) (resid 29 and name hn  ) 1.80 0.00 3.20
assign (resid 29 and name hb# ) (resid 29 and name hn  ) 1.80 0.00 1.20
assign (resid 29 and name hb1 ) (resid 30 and name hn  ) 1.80 0.00 3.20
assign (resid 29 and name hb2 ) (resid 30 and name hn  ) 1.80 0.00 3.20
assign (resid 29 and name hb# ) (resid 30 and name hn  ) 1.80 0.00 1.20
assign (resid 29 and name hn  ) (resid 30 and name hn  ) 1.80 0.00 2.20
assign (resid 29 and name hn  ) (resid 31 and name hn  ) 1.80 0.00 2.20
assign (resid 29 and name hn  ) (resid 31 and name hb# ) 1.80 0.00 3.20
assign (resid 29 and name hn  ) (resid 32 and name hn  ) 1.80 0.00 3.20
assign (resid 29 and name hn  ) (resid 32 and name he1 ) 1.80 0.00 4.20
assign (resid 29 and name hn  ) (resid 32 and name hd1 ) 1.80 0.00 2.20
!S30
assign (resid 30 and name ha  ) (resid 30 and name hn  ) 1.80 0.00 2.20
assign (resid 30 and name ha  ) (resid 31 and name hn  ) 1.80 0.00 2.20
assign (resid 30 and name ha  ) (resid 32 and name hn  ) 1.80 0.00 3.20
assign (resid 30 and name ha  ) (resid 33 and name hn  ) 1.80 0.00 2.20
assign (resid 30 and name hb1 ) (resid 30 and name hn  ) 1.80 0.00 3.20
assign (resid 30 and name hb2 ) (resid 30 and name hn  ) 1.80 0.00 3.20
assign (resid 30 and name hb# ) (resid 30 and name hn  ) 1.80 0.00 2.20
assign (resid 30 and name hb1 ) (resid 31 and name hn  ) 1.80 0.00 3.20
assign (resid 30 and name hb2 ) (resid 31 and name hn  ) 1.80 0.00 3.20
assign (resid 30 and name hb# ) (resid 31 and name hn  ) 1.80 0.00 2.20
assign (resid 30 and name hn  ) (resid 31 and name hn  ) 1.80 0.00 1.20
assign (resid 30 and name hn  ) (resid 89 and name ha# ) 1.80 0.00 3.20
!S31
assign (resid 31 and name ha  ) (resid 31 and name hn  ) 1.80 0.00 2.20
assign (resid 31 and name ha  ) (resid 32 and name hn  ) 1.80 0.00 2.20
assign (resid 31 and name hb1 ) (resid 31 and name hn  ) 1.80 0.00 3.20
assign (resid 31 and name hb2 ) (resid 31 and name hn  ) 1.80 0.00 3.20
assign (resid 31 and name hb# ) (resid 31 and name hn  ) 1.80 0.00 1.20
assign (resid 31 and name hb# ) (resid 32 and name hn  ) 1.80 0.00 2.20
assign (resid 31 and name hn  ) (resid 32 and name hn  ) 1.80 0.00 1.20
assign (resid 31 and name hn  ) (resid 32 and name hd1 ) 1.80 0.00 3.20
assign (resid 31 and name hn  ) (resid 33 and name hn  ) 1.80 0.00 3.20
!W32
assign (resid 32 and name ha  ) (resid 32 and name hn  ) 1.80 0.00 2.20
assign (resid 32 and name ha  ) (resid 33 and name hn  ) 1.80 0.00 2.20
assign (resid 32 and name ha  ) (resid 34 and name hn  ) 1.80 0.00 3.20
assign (resid 32 and name ha  ) (resid 35 and name hn  ) 1.80 0.00 2.20
assign (resid 32 and name hb1 ) (resid 32 and name hn  ) 1.80 0.00 3.20
assign (resid 32 and name hb2 ) (resid 32 and name hn  ) 1.80 0.00 3.20
assign (resid 32 and name hb# ) (resid 32 and name hn  ) 1.80 0.00 2.20
assign (resid 32 and name hb# ) (resid 33 and name hn  ) 1.80 0.00 2.20
assign (resid 32 and name hn  ) (resid 33 and name hn  ) 1.80 0.00 1.20
assign (resid 32 and name hn  ) (resid 34 and name hn  ) 1.80 0.00 4.20
assign (resid 32 and name hn  ) (resid 32 and name he1 ) 1.80 0.00 4.20
assign (resid 32 and name hn  ) (resid 32 and name hd1 ) 1.80 0.00 2.20
assign (resid 32 and name hn  ) (resid 33 and name hb# ) 1.80 0.00 4.20
assign (resid 32 and name hd1 ) (resid 33 and name hn  ) 1.80 0.00 3.20
assign (resid 32 and name he1 ) (resid 32 and name hz2 ) 1.80 0.00 4.20
assign (resid 32 and name ha  ) (resid 37 and name hn  ) 1.80 0.00 3.20
assign (resid 32 and name he3 ) (resid 38 and name hn  ) 1.80 0.00 3.20
assign (resid 32 and name hz3 ) (resid 38 and name hn  ) 1.80 0.00 2.20
!A33
assign (resid 33 and name ha  ) (resid 33 and name hn  ) 1.80 0.00 2.20
assign (resid 33 and name ha  ) (resid 34 and name hn  ) 1.80 0.00 3.20
assign (resid 33 and name ha  ) (resid 88 and name hn  ) 1.80 0.00 4.20
assign (resid 33 and name hb# ) (resid 33 and name hn  ) 1.80 0.00 1.20
assign (resid 33 and name hb# ) (resid 34 and name hn  ) 1.80 0.00 2.20
assign (resid 33 and name hb# ) (resid 88 and name hn  ) 1.80 0.00 4.20
assign (resid 33 and name hn  ) (resid 34 and name hn  ) 1.80 0.00 2.20
assign (resid 33 and name hn  ) (resid 35 and name hn  ) 1.80 0.00 4.20
!D34
assign (resid 34 and name ha  ) (resid 34 and name hn  ) 1.80 0.00 2.20
assign (resid 34 and name ha  ) (resid 35 and name hn  ) 1.80 0.00 2.20
assign (resid 34 and name hb1 ) (resid 34 and name hn  ) 1.80 0.00 2.20
assign (resid 34 and name hb2 ) (resid 34 and name hn  ) 1.80 0.00 2.20
assign (resid 34 and name hn  ) (resid 35 and name hn  ) 1.80 0.00 1.70
assign (resid 34 and name hn  ) (resid 35 and name ha# ) 1.80 0.00 3.20
assign (resid 34 and name hn  ) (resid 60 and name hb* ) 1.80 0.00 4.20
!G35
assign (resid 35 and name ha1 ) (resid 35 and name hn  ) 1.80 0.00 2.20
assign (resid 35 and name ha2 ) (resid 35 and name hn  ) 1.80 0.00 2.20
assign (resid 35 and name ha1 ) (resid 36 and name hn  ) 1.80 0.00 3.20
assign (resid 35 and name ha2 ) (resid 36 and name hn  ) 1.80 0.00 3.20
assign (resid 35 and name ha# ) (resid 38 and name hn  ) 1.80 0.00 4.20
assign (resid 35 and name hn  ) (resid 36 and name hn  ) 1.80 0.00 2.20
!L36
assign (resid 36 and name ha  ) (resid 36 and name hn  ) 1.80 0.00 2.20
assign (resid 36 and name ha  ) (resid 39 and name hn  ) 1.80 0.00 2.20
assign (resid 36 and name hb1 ) (resid 36 and name hn  ) 1.80 0.00 2.20
assign (resid 36 and name hb2 ) (resid 36 and name hn  ) 1.80 0.00 2.20
assign (resid 36 and name hb# ) (resid 37 and name hn  ) 1.80 0.00 2.20
assign (resid 36 and name hd1#) (resid 36 and name hn  ) 1.80 0.00 4.20
assign (resid 36 and name hd2#) (resid 36 and name hn  ) 1.80 0.00 4.20
assign (resid 36 and name hd* ) (resid 37 and name hn  ) 1.80 0.00 4.20
assign (resid 36 and name hg  ) (resid 36 and name hn  ) 1.80 0.00 3.20
assign (resid 36 and name hn  ) (resid 37 and name hn  ) 1.80 0.00 1.20
assign (resid 36 and name hn  ) (resid 38 and name hn  ) 1.80 0.00 3.20
!A37
assign (resid 37 and name ha  ) (resid 37 and name hn  ) 1.80 0.00 2.20
assign (resid 37 and name ha  ) (resid 38 and name hn  ) 1.80 0.00 2.20
assign (resid 37 and name ha  ) (resid 40 and name hn  ) 1.80 0.00 2.20
assign (resid 37 and name hb# ) (resid 37 and name hn  ) 1.80 0.00 2.20
assign (resid 37 and name hb# ) (resid 38 and name hn  ) 1.80 0.00 2.20
assign (resid 37 and name hn  ) (resid 38 and name hn  ) 1.80 0.00 1.20
assign (resid 37 and name hn  ) (resid 39 and name hn  ) 1.80 0.00 3.20
assign (resid 37 and name hn  ) (resid 40 and name hb# ) 1.80 0.00 4.20
!L38
assign (resid 38 and name ha  ) (resid 38 and name hn  ) 1.80 0.00 2.20
assign (resid 38 and name ha  ) (resid 39 and name hn  ) 1.80 0.00 2.20
assign (resid 38 and name ha  ) (resid 41 and name hn  ) 1.80 0.00 2.20
assign (resid 38 and name hb1 ) (resid 38 and name hn  ) 1.80 0.00 2.20
assign (resid 38 and name hb2 ) (resid 38 and name hn  ) 1.80 0.00 2.20
assign (resid 38 and name hb1 ) (resid 39 and name hn  ) 1.80 0.00 3.20
assign (resid 38 and name hb2 ) (resid 39 and name hn  ) 1.80 0.00 3.20
assign (resid 38 and name hb# ) (resid 39 and name hn  ) 1.80 0.00 2.20
assign (resid 38 and name hd1#) (resid 38 and name hn  ) 1.80 0.00 3.20
assign (resid 38 and name hd2#) (resid 38 and name hn  ) 1.80 0.00 4.20
assign (resid 38 and name hd* ) (resid 39 and name hn  ) 1.80 0.00 4.20
assign (resid 38 and name hg  ) (resid 38 and name hn  ) 1.80 0.00 3.20
assign (resid 38 and name hn  ) (resid 39 and name hn  ) 1.80 0.00 1.20
assign (resid 38 and name hn  ) (resid 40 and name hn  ) 1.80 0.00 3.20
!C39
assign (resid 39 and name ha  ) (resid 39 and name hn  ) 1.80 0.00 2.20
assign (resid 39 and name ha  ) (resid 40 and name hn  ) 1.80 0.00 2.20
assign (resid 39 and name ha  ) (resid 42 and name hn  ) 1.80 0.00 3.20
assign (resid 39 and name hb1 ) (resid 39 and name hn  ) 1.80 0.00 2.20
assign (resid 39 and name hb2 ) (resid 39 and name hn  ) 1.80 0.00 2.20
assign (resid 39 and name hb1 ) (resid 40 and name hn  ) 1.80 0.00 3.20
assign (resid 39 and name hb2 ) (resid 40 and name hn  ) 1.80 0.00 3.20
assign (resid 39 and name hb# ) (resid 40 and name hn  ) 1.80 0.00 2.20
assign (resid 39 and name hn  ) (resid 40 and name hn  ) 1.80 0.00 1.20
assign (resid 39 and name hn  ) (resid 41 and name hn  ) 1.80 0.00 3.20
assign (resid 39 and name hn  ) (resid 67 and name hb* ) 1.80 0.00 4.20
!A40
assign (resid 40 and name ha  ) (resid 40 and name hn  ) 1.80 0.00 2.20
assign (resid 40 and name ha  ) (resid 41 and name hn  ) 1.80 0.00 2.20
assign (resid 40 and name ha  ) (resid 43 and name hn  ) 1.80 0.00 2.20
assign (resid 40 and name hb# ) (resid 40 and name hn  ) 1.80 0.00 2.20
assign (resid 40 and name hb# ) (resid 41 and name hn  ) 1.80 0.00 2.20
assign (resid 40 and name hn  ) (resid 41 and name hn  ) 1.80 0.00 1.20
assign (resid 40 and name hn  ) (resid 42 and name hn  ) 1.80 0.00 3.20
!L41
assign (resid 41 and name ha  ) (resid 41 and name hn  ) 1.80 0.00 2.20
assign (resid 41 and name ha  ) (resid 42 and name hn  ) 1.80 0.00 2.20
assign (resid 41 and name ha  ) (resid 44 and name hn  ) 1.80 0.00 2.20
assign (resid 41 and name hb1 ) (resid 41 and name hn  ) 1.80 0.00 2.20
assign (resid 41 and name hb2 ) (resid 41 and name hn  ) 1.80 0.00 2.20
assign (resid 41 and name hb1 ) (resid 42 and name hn  ) 1.80 0.00 3.20
assign (resid 41 and name hb2 ) (resid 42 and name hn  ) 1.80 0.00 3.20
assign (resid 41 and name hb# ) (resid 42 and name hn  ) 1.80 0.00 2.20
assign (resid 41 and name hd1#) (resid 41 and name hn  ) 1.80 0.00 4.20
assign (resid 41 and name hd2#) (resid 41 and name hn  ) 1.80 0.00 4.20
assign (resid 41 and name hg  ) (resid 41 and name hn  ) 1.80 0.00 3.20
assign (resid 41 and name hn  ) (resid 42 and name hn  ) 1.80 0.00 1.20
!V42
assign (resid 42 and name ha  ) (resid 42 and name hn  ) 1.80 0.00 2.20
assign (resid 42 and name ha  ) (resid 43 and name hn  ) 1.80 0.00 2.20
assign (resid 42 and name ha  ) (resid 45 and name hn  ) 1.80 0.00 2.20
assign (resid 42 and name ha  ) (resid 46 and name hn  ) 1.80 0.00 3.20
assign (resid 42 and name hb  ) (resid 42 and name hn  ) 1.80 0.00 1.20
assign (resid 42 and name hb  ) (resid 43 and name hn  ) 1.80 0.00 2.20
assign (resid 42 and name hg1#) (resid 42 and name hn  ) 1.80 0.00 3.20
assign (resid 42 and name hg2#) (resid 42 and name hn  ) 1.80 0.00 3.20
assign (resid 42 and name hg1#) (resid 43 and name hn  ) 1.80 0.00 4.20
assign (resid 42 and name hg2#) (resid 43 and name hn  ) 1.80 0.00 4.20
assign (resid 42 and name hg* ) (resid 46 and name hn  ) 1.80 0.00 4.20
assign (resid 42 and name hn  ) (resid 43 and name hn  ) 1.80 0.00 1.20
assign (resid 42 and name hn  ) (resid 44 and name hn  ) 1.80 0.00 3.20
assign (resid 42 and name hg1#) (resid 71 and name hn  ) 1.80 0.00 4.20
assign (resid 42 and name hg2#) (resid 71 and name hn  ) 1.80 0.00 4.20
!Y43
assign (resid 43 and name ha  ) (resid 43 and name hn  ) 1.80 0.00 2.20
assign (resid 43 and name ha  ) (resid 44 and name hn  ) 1.80 0.00 3.20
assign (resid 43 and name ha  ) (resid 46 and name hn  ) 1.80 0.00 2.20
assign (resid 43 and name ha  ) (resid 50 and name hn  ) 1.80 0.00 3.20
assign (resid 43 and name hb1 ) (resid 43 and name hn  ) 1.80 0.00 2.20
assign (resid 43 and name hb2 ) (resid 43 and name hn  ) 1.80 0.00 2.20
assign (resid 43 and name hb# ) (resid 44 and name hn  ) 1.80 0.00 2.20
assign (resid 43 and name hn  ) (resid 44 and name hn  ) 1.80 0.00 1.20
assign (resid 43 and name hn  ) (resid 45 and name hn  ) 1.80 0.00 3.20
assign (resid 43 and name he# ) (resid 49 and name hn  ) 1.80 0.00 4.20
assign (resid 43 and name hd# ) (resid 44 and name hn  ) 1.80 0.00 4.20
assign (resid 43 and name hd# ) (resid 50 and name hn  ) 1.80 0.00 4.20
!R44
assign (resid 44 and name ha  ) (resid 44 and name hn  ) 1.80 0.00 2.20
assign (resid 44 and name ha  ) (resid 45 and name hn  ) 1.80 0.00 2.20
assign (resid 44 and name hb1 ) (resid 44 and name hn  ) 1.80 0.00 2.20
assign (resid 44 and name hb2 ) (resid 44 and name hn  ) 1.80 0.00 2.20
assign (resid 44 and name hb1 ) (resid 45 and name hn  ) 1.80 0.00 2.20
assign (resid 44 and name hb2 ) (resid 45 and name hn  ) 1.80 0.00 2.20
assign (resid 44 and name hd# ) (resid 44 and name hn  ) 1.80 0.00 4.20
assign (resid 44 and name hg1 ) (resid 44 and name hn  ) 1.80 0.00 4.20
assign (resid 44 and name hg2 ) (resid 44 and name hn  ) 1.80 0.00 4.20
assign (resid 44 and name hn  ) (resid 45 and name hn  ) 1.80 0.00 1.20
assign (resid 44 and name hn  ) (resid 46 and name hn  ) 1.80 0.00 3.20
!L45
assign (resid 45 and name ha  ) (resid 45 and name hn  ) 1.80 0.00 2.20
assign (resid 45 and name ha  ) (resid 46 and name hn  ) 1.80 0.00 2.20
assign (resid 45 and name hb1 ) (resid 45 and name hn  ) 1.80 0.00 2.20
assign (resid 45 and name hb2 ) (resid 45 and name hn  ) 1.80 0.00 2.20
assign (resid 45 and name hb1 ) (resid 46 and name hn  ) 1.80 0.00 3.20
assign (resid 45 and name hb2 ) (resid 46 and name hn  ) 1.80 0.00 3.20
assign (resid 45 and name hb# ) (resid 46 and name hn  ) 1.80 0.00 2.20
assign (resid 45 and name hd1#) (resid 45 and name hn  ) 1.80 0.00 3.20
assign (resid 45 and name hd2#) (resid 45 and name hn  ) 1.80 0.00 3.20
assign (resid 45 and name hd* ) (resid 46 and name hn  ) 1.80 0.00 4.20
assign (resid 45 and name hg  ) (resid 45 and name hn  ) 1.80 0.00 2.20
assign (resid 45 and name hn  ) (resid 46 and name hn  ) 1.80 0.00 1.20
!Q46
assign (resid 46 and name ha  ) (resid 46 and name hn  ) 1.80 0.00 2.20
assign (resid 46 and name ha  ) (resid 48 and name hn  ) 1.80 0.00 2.20
assign (resid 46 and name ha  ) (resid 49 and name hn  ) 1.80 0.00 2.20
assign (resid 46 and name hb1 ) (resid 46 and name hn  ) 1.80 0.00 2.20
assign (resid 46 and name hb2 ) (resid 46 and name hn  ) 1.80 0.00 2.20
assign (resid 46 and name hb# ) (resid 49 and name hn  ) 1.80 0.00 2.20
assign (resid 46 and name hn  ) (resid 47 and name hd1 ) 1.80 0.00 3.20
assign (resid 46 and name hn  ) (resid 47 and name hd2 ) 1.80 0.00 3.20
assign (resid 46 and name hn  ) (resid 47 and name hd# ) 1.80 0.00 2.20
assign (resid 46 and name he21) (resid 46 and name ha  ) 1.80 0.00 4.20
assign (resid 46 and name he21) (resid 49 and name hg  ) 1.80 0.00 3.20
assign (resid 46 and name he21) (resid 49 and name hd* ) 1.80 0.00 4.20
assign (resid 46 and name he22) (resid 49 and name hd* ) 1.80 0.00 4.20
assign (resid 46 and name he2#) (resid 49 and name hd* ) 1.80 0.00 3.20
!P47
assign (resid 47 and name ha  ) (resid 48 and name hn  ) 1.80 0.00 1.70
assign (resid 47 and name ha  ) (resid 49 and name hn  ) 1.80 0.00 2.70
assign (resid 47 and name ha  ) (resid 50 and name hn  ) 1.80 0.00 3.20
assign (resid 47 and name hb1 ) (resid 48 and name hn  ) 1.80 0.00 2.70
assign (resid 47 and name hb2 ) (resid 48 and name hn  ) 1.80 0.00 2.70
assign (resid 47 and name hb# ) (resid 48 and name hn  ) 1.80 0.00 1.70
assign (resid 47 and name hg# ) (resid 48 and name hn  ) 1.80 0.00 1.20
assign (resid 47 and name hd1 ) (resid 48 and name hn  ) 1.80 0.00 3.20
assign (resid 47 and name hd2 ) (resid 48 and name hn  ) 1.80 0.00 3.20
assign (resid 47 and name hd# ) (resid 48 and name hn  ) 1.80 0.00 1.20
assign (resid 47 and name hd# ) (resid 49 and name hn  ) 1.80 0.00 3.20
!G48
assign (resid 48 and name ha1 ) (resid 48 and name hn  ) 1.80 0.00 2.20
assign (resid 48 and name ha2 ) (resid 48 and name hn  ) 1.80 0.00 2.20
assign (resid 48 and name ha# ) (resid 49 and name hn  ) 1.80 0.00 1.70
assign (resid 48 and name ha# ) (resid 50 and name hn  ) 1.80 0.00 3.20
assign (resid 48 and name hn  ) (resid 49 and name hn  ) 1.80 0.00 1.20
assign (resid 48 and name hn  ) (resid 50 and name hn  ) 1.80 0.00 4.20
!L49
assign (resid 49 and name ha  ) (resid 49 and name hn  ) 1.80 0.00 2.20
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assign (resid 49 and name hb1 ) (resid 49 and name hn  ) 1.80 0.00 2.20
assign (resid 49 and name hb2 ) (resid 49 and name hn  ) 1.80 0.00 2.20
assign (resid 49 and name hb# ) (resid 50 and name hn  ) 1.80 0.00 3.20
assign (resid 49 and name hd1#) (resid 49 and name hn  ) 1.80 0.00 3.20
assign (resid 49 and name hd2#) (resid 49 and name hn  ) 1.80 0.00 3.20
assign (resid 49 and name hd* ) (resid 74 and name hn  ) 1.80 0.00 4.20
assign (resid 49 and name hg  ) (resid 49 and name hn  ) 1.80 0.00 2.20
assign (resid 49 and name hn  ) (resid 50 and name hn  ) 1.80 0.00 2.20
!L50
assign (resid 50 and name ha  ) (resid 50 and name hn  ) 1.80 0.00 2.20
assign (resid 50 and name ha  ) (resid 51 and name hn  ) 1.80 0.00 1.20
assign (resid 50 and name hb1 ) (resid 50 and name hn  ) 1.80 0.00 2.20
assign (resid 50 and name hb2 ) (resid 50 and name hn  ) 1.80 0.00 2.20
assign (resid 50 and name hb# ) (resid 50 and name hn  ) 1.80 0.00 1.20
assign (resid 50 and name hd1#) (resid 50 and name hn  ) 1.80 0.00 4.20
assign (resid 50 and name hd2#) (resid 50 and name hn  ) 1.80 0.00 4.20
assign (resid 50 and name hd* ) (resid 51 and name hn  ) 1.80 0.00 4.20
assign (resid 50 and name hg  ) (resid 50 and name hn  ) 1.80 0.00 3.20
assign (resid 50 and name hg  ) (resid 51 and name hn  ) 1.80 0.00 3.20
assign (resid 50 and name hn  ) (resid 51 and name hn  ) 1.80 0.00 3.70
!E51
assign (resid 51 and name ha  ) (resid 51 and name hn  ) 1.80 0.00 2.20
assign (resid 51 and name ha  ) (resid 53 and name hn  ) 1.80 0.00 3.20
assign (resid 51 and name ha  ) (resid 54 and name hn  ) 1.80 0.00 3.20
assign (resid 51 and name hb1 ) (resid 51 and name hn  ) 1.80 0.00 2.20
assign (resid 51 and name hb2 ) (resid 51 and name hn  ) 1.80 0.00 2.20
assign (resid 51 and name hb# ) (resid 51 and name hn  ) 1.80 0.00 1.20
assign (resid 51 and name hb# ) (resid 53 and name hn  ) 1.80 0.00 3.20
assign (resid 51 and name hb# ) (resid 54 and name hn  ) 1.80 0.00 2.20
assign (resid 51 and name hb# ) (resid 55 and name hn  ) 1.80 0.00 3.20
assign (resid 51 and name hg1 ) (resid 51 and name hn  ) 1.80 0.00 3.20
assign (resid 51 and name hg2 ) (resid 51 and name hn  ) 1.80 0.00 3.20
assign (resid 51 and name hg# ) (resid 51 and name hn  ) 1.80 0.00 2.20
assign (resid 51 and name hn  ) (resid 52 and name ha  ) 1.80 0.00 3.20
assign (resid 51 and name hn  ) (resid 52 and name hd# ) 1.80 0.00 3.20
assign (resid 51 and name hn  ) (resid 53 and name hn  ) 1.80 0.00 4.20
assign (resid 51 and name hn  ) (resid 66 and name hh2 or name hz3  ) 1.80 0.00 3.20
!P52
assign (resid 52 and name ha  ) (resid 53 and name hn  ) 1.80 0.00 2.20
assign (resid 52 and name ha  ) (resid 54 and name hn  ) 1.80 0.00 3.20
assign (resid 52 and name ha  ) (resid 55 and name hn  ) 1.80 0.00 1.70
assign (resid 52 and name hb# ) (resid 53 and name hn  ) 1.80 0.00 2.20
assign (resid 52 and name hg# ) (resid 53 and name hn  ) 1.80 0.00 1.70
assign (resid 52 and name hd1 ) (resid 53 and name hn  ) 1.80 0.00 3.20
assign (resid 52 and name hd2 ) (resid 53 and name hn  ) 1.80 0.00 3.20
assign (resid 52 and name hd# ) (resid 53 and name hn  ) 1.80 0.00 1.70
assign (resid 52 and name hd# ) (resid 54 and name hn  ) 1.80 0.00 3.20
!S53
assign (resid 53 and name ha  ) (resid 53 and name hn  ) 1.80 0.00 2.20
assign (resid 53 and name ha  ) (resid 54 and name hn  ) 1.80 0.00 1.70
assign (resid 53 and name hb1 ) (resid 53 and name hn  ) 1.80 0.00 3.20
assign (resid 53 and name hb2 ) (resid 53 and name hn  ) 1.80 0.00 3.20
assign (resid 53 and name hb# ) (resid 54 and name hn  ) 1.80 0.00 2.20
assign (resid 53 and name hn  ) (resid 54 and name hn  ) 1.80 0.00 1.20
assign (resid 53 and name hn  ) (resid 55 and name hn  ) 1.80 0.00 3.20
assign (resid 53 and name hn  ) (resid 55 and name hb# ) 1.80 0.00 4.20
!E54
assign (resid 54 and name ha  ) (resid 54 and name hn  ) 1.80 0.00 2.20
assign (resid 54 and name ha  ) (resid 55 and name hn  ) 1.80 0.00 2.20
assign (resid 54 and name hb1 ) (resid 54 and name hn  ) 1.80 0.00 2.20
assign (resid 54 and name hb2 ) (resid 54 and name hn  ) 1.80 0.00 2.20
assign (resid 54 and name hb# ) (resid 55 and name hn  ) 1.80 0.00 2.20
assign (resid 54 and name hg1 ) (resid 54 and name hn  ) 1.80 0.00 3.20
assign (resid 54 and name hg2 ) (resid 54 and name hn  ) 1.80 0.00 3.20
assign (resid 54 and name hg# ) (resid 55 and name hn  ) 1.80 0.00 4.20
assign (resid 54 and name hn  ) (resid 55 and name hn  ) 1.80 0.00 1.20
!L55
assign (resid 55 and name ha  ) (resid 55 and name hn  ) 1.80 0.00 2.20
assign (resid 55 and name ha  ) (resid 56 and name hn  ) 1.80 0.00 1.70
assign (resid 55 and name hb1 ) (resid 55 and name hn  ) 1.80 0.00 2.20
assign (resid 55 and name hb2 ) (resid 55 and name hn  ) 1.80 0.00 2.20
assign (resid 55 and name hb# ) (resid 56 and name hn  ) 1.80 0.00 3.20
assign (resid 55 and name hd1#) (resid 55 and name hn  ) 1.80 0.00 4.20
assign (resid 55 and name hd2#) (resid 55 and name hn  ) 1.80 0.00 4.20
assign (resid 55 and name hg  ) (resid 55 and name hn  ) 1.80 0.00 3.20
assign (resid 55 and name hg  ) (resid 56 and name hn  ) 1.80 0.00 4.20
assign (resid 55 and name hn  ) (resid 56 and name hn  ) 1.80 0.00 2.70
!Q56
assign (resid 56 and name ha  ) (resid 56 and name hn  ) 1.80 0.00 2.20
assign (resid 56 and name ha  ) (resid 57 and name hn  ) 1.80 0.00 1.70
assign (resid 56 and name ha  ) (resid 59 and name hn  ) 1.80 0.00 3.20
assign (resid 56 and name hb1 ) (resid 56 and name hn  ) 1.80 0.00 2.20
assign (resid 56 and name hb2 ) (resid 56 and name hn  ) 1.80 0.00 2.20
assign (resid 56 and name hb# ) (resid 56 and name hn  ) 1.80 0.00 1.20
assign (resid 56 and name hb# ) (resid 57 and name hn  ) 1.80 0.00 3.20
assign (resid 56 and name hg# ) (resid 56 and name hn  ) 1.80 0.00 2.20
assign (resid 56 and name hg# ) (resid 57 and name hn  ) 1.80 0.00 4.20
assign (resid 56 and name hn  ) (resid 57 and name hn  ) 1.80 0.00 3.20
assign (resid 56 and name hn  ) (resid 58 and name hn  ) 1.80 0.00 4.20
assign (resid 56 and name hn  ) (resid 63 and name ha  ) 1.80 0.00 4.20
assign (resid 56 and name hn  ) (resid 63 and name hb# ) 1.80 0.00 3.20
!G57
assign (resid 57 and name ha1 ) (resid 57 and name hn  ) 1.80 0.00 2.20
assign (resid 57 and name ha2 ) (resid 57 and name hn  ) 1.80 0.00 2.20
assign (resid 57 and name ha1 ) (resid 58 and name hn  ) 1.80 0.00 3.20
assign (resid 57 and name ha2 ) (resid 58 and name hn  ) 1.80 0.00 3.20
assign (resid 57 and name hn  ) (resid 58 and name hn  ) 1.80 0.00 2.20
assign (resid 57 and name hn  ) (resid 58 and name hd* ) 1.80 0.00 4.20
!L58
assign (resid 58 and name ha  ) (resid 58 and name hn  ) 1.80 0.00 2.20
assign (resid 58 and name ha  ) (resid 59 and name hn  ) 1.80 0.00 2.20
assign (resid 58 and name hb1 ) (resid 58 and name hn  ) 1.80 0.00 2.20
assign (resid 58 and name hb2 ) (resid 58 and name hn  ) 1.80 0.00 2.20
assign (resid 58 and name hb# ) (resid 59 and name hn  ) 1.80 0.00 2.20
assign (resid 58 and name hd1#) (resid 58 and name hn  ) 1.80 0.00 3.20
assign (resid 58 and name hd2#) (resid 58 and name hn  ) 1.80 0.00 3.20
assign (resid 58 and name hd1#) (resid 59 and name hn  ) 1.80 0.00 3.20
assign (resid 58 and name hd2#) (resid 59 and name hn  ) 1.80 0.00 3.20
assign (resid 58 and name hg  ) (resid 58 and name hn  ) 1.80 0.00 2.20
assign (resid 58 and name hg  ) (resid 59 and name hn  ) 1.80 0.00 3.20
assign (resid 58 and name hn  ) (resid 59 and name hn  ) 1.80 0.00 2.20
!G59
assign (resid 59 and name ha1 ) (resid 59 and name hn  ) 1.80 0.00 2.20
assign (resid 59 and name ha2 ) (resid 59 and name hn  ) 1.80 0.00 2.20
assign (resid 59 and name ha# ) (resid 60 and name hn  ) 1.80 0.00 1.20
assign (resid 59 and name ha# ) (resid 62 and name hn  ) 1.80 0.00 3.20
assign (resid 59 and name hn  ) (resid 60 and name hn  ) 1.80 0.00 3.20
!A60
assign (resid 60 and name ha  ) (resid 60 and name hn  ) 1.80 0.00 2.20
assign (resid 60 and name ha  ) (resid 61 and name hn  ) 1.80 0.00 2.20
assign (resid 60 and name hb# ) (resid 60 and name hn  ) 1.80 0.00 2.20
assign (resid 60 and name hb# ) (resid 61 and name hn  ) 1.80 0.00 2.20
assign (resid 60 and name hn  ) (resid 61 and name hn  ) 1.80 0.00 1.20
assign (resid 60 and name hn  ) (resid 62 and name hn  ) 1.80 0.00 3.20
!L61
assign (resid 61 and name ha  ) (resid 61 and name hn  ) 1.80 0.00 2.20
assign (resid 61 and name ha  ) (resid 62 and name hn  ) 1.80 0.00 2.20
assign (resid 61 and name ha  ) (resid 64 and name hn  ) 1.80 0.00 2.20
assign (resid 61 and name hb1 ) (resid 61 and name hn  ) 1.80 0.00 2.20
assign (resid 61 and name hb2 ) (resid 61 and name hn  ) 1.80 0.00 2.20
assign (resid 61 and name hb# ) (resid 62 and name hn  ) 1.80 0.00 2.20
assign (resid 61 and name hb# ) (resid 63 and name hn  ) 1.80 0.00 4.20
assign (resid 61 and name hd1#) (resid 61 and name hn  ) 1.80 0.00 4.20
assign (resid 61 and name hd2#) (resid 61 and name hn  ) 1.80 0.00 4.20
assign (resid 61 and name hd* ) (resid 62 and name hn  ) 1.80 0.00 3.20
assign (resid 61 and name hd* ) (resid 84 and name hn  ) 1.80 0.00 3.20
assign (resid 61 and name hg  ) (resid 61 and name hn  ) 1.80 0.00 3.20
assign (resid 61 and name hn  ) (resid 62 and name hn  ) 1.80 0.00 1.20
assign (resid 61 and name hn  ) (resid 63 and name hn  ) 1.80 0.00 3.20
assign (resid 61 and name hn  ) (resid 87 and name hg* ) 1.80 0.00 4.20
!E62
assign (resid 62 and name ha  ) (resid 62 and name hn  ) 1.80 0.00 2.20
assign (resid 62 and name ha  ) (resid 63 and name hn  ) 1.80 0.00 2.20
assign (resid 62 and name ha  ) (resid 65 and name hn  ) 1.80 0.00 2.20
assign (resid 62 and name hb1 ) (resid 62 and name hn  ) 1.80 0.00 2.20
assign (resid 62 and name hb2 ) (resid 62 and name hn  ) 1.80 0.00 2.20
assign (resid 62 and name hb1 ) (resid 63 and name hn  ) 1.80 0.00 3.20
assign (resid 62 and name hb2 ) (resid 63 and name hn  ) 1.80 0.00 3.20
assign (resid 62 and name hb# ) (resid 63 and name hn  ) 1.80 0.00 2.20
assign (resid 62 and name hg1 ) (resid 62 and name hn  ) 1.80 0.00 3.20
assign (resid 62 and name hg2 ) (resid 62 and name hn  ) 1.80 0.00 3.20
assign (resid 62 and name hg1 ) (resid 63 and name hn  ) 1.80 0.00 4.20
assign (resid 62 and name hg2 ) (resid 63 and name hn  ) 1.80 0.00 4.20
assign (resid 62 and name hn  ) (resid 63 and name hn  ) 1.80 0.00 1.20
assign (resid 62 and name hn  ) (resid 64 and name hn  ) 1.80 0.00 3.20
!A63
assign (resid 63 and name ha  ) (resid 63 and name hn  ) 1.80 0.00 2.20
assign (resid 63 and name ha  ) (resid 64 and name hn  ) 1.80 0.00 2.20
assign (resid 63 and name ha  ) (resid 66 and name hn  ) 1.80 0.00 2.20
assign (resid 63 and name ha  ) (resid 67 and name hn  ) 1.80 0.00 3.20
assign (resid 63 and name hb# ) (resid 63 and name hn  ) 1.80 0.00 1.20
assign (resid 63 and name hb# ) (resid 64 and name hn  ) 1.80 0.00 2.20
assign (resid 63 and name hn  ) (resid 64 and name hn  ) 1.80 0.00 1.20
assign (resid 63 and name hn  ) (resid 65 and name hn  ) 1.80 0.00 3.20
!T64
assign (resid 64 and name ha  ) (resid 64 and name hn  ) 1.80 0.00 2.20
assign (resid 64 and name ha  ) (resid 65 and name hn  ) 1.80 0.00 2.20
assign (resid 64 and name ha  ) (resid 67 and name hn  ) 1.80 0.00 2.20
assign (resid 64 and name hb  ) (resid 64 and name hn  ) 1.80 0.00 2.20
assign (resid 64 and name hb  ) (resid 65 and name hn  ) 1.80 0.00 2.20
assign (resid 64 and name hg2#) (resid 64 and name hn  ) 1.80 0.00 3.20
assign (resid 64 and name hg2#) (resid 65 and name hn  ) 1.80 0.00 3.20
assign (resid 64 and name hg2#) (resid 83 and name hn  ) 1.80 0.00 4.20
assign (resid 64 and name hg2#) (resid 86 and name hn  ) 1.80 0.00 4.20
assign (resid 64 and name hg2#) (resid 87 and name hn  ) 1.80 0.00 4.20
assign (resid 64 and name hn  ) (resid 65 and name hn  ) 1.80 0.00 1.20
assign (resid 64 and name hn  ) (resid 66 and name hn  ) 1.80 0.00 3.20
!A65
assign (resid 65 and name ha  ) (resid 65 and name hn  ) 1.80 0.00 2.20
assign (resid 65 and name ha  ) (resid 66 and name hn  ) 1.80 0.00 2.20
assign (resid 65 and name ha  ) (resid 68 and name hn  ) 1.80 0.00 2.20
assign (resid 65 and name hb# ) (resid 65 and name hn  ) 1.80 0.00 1.20
assign (resid 65 and name hb# ) (resid 66 and name hn  ) 1.80 0.00 2.20
assign (resid 65 and name hn  ) (resid 66 and name hn  ) 1.80 0.00 1.20
assign (resid 65 and name hn  ) (resid 67 and name hn  ) 1.80 0.00 3.20
assign (resid 65 and name hn  ) (resid 83 and name hb# ) 1.80 0.00 3.20
assign (resid 65 and name hb# ) (resid 83 and name hn  ) 1.80 0.00 4.20
!W66
assign (resid 66 and name ha  ) (resid 66 and name hn  ) 1.80 0.00 2.20
assign (resid 66 and name ha  ) (resid 67 and name hn  ) 1.80 0.00 2.20
assign (resid 66 and name ha  ) (resid 69 and name hn  ) 1.80 0.00 2.20
assign (resid 66 and name ha  ) (resid 70 and name hn  ) 1.80 0.00 3.20
assign (resid 66 and name hb1 ) (resid 66 and name hn  ) 1.80 0.00 2.20
assign (resid 66 and name hb2 ) (resid 66 and name hn  ) 1.80 0.00 2.20
assign (resid 66 and name hb1 ) (resid 67 and name hn  ) 1.80 0.00 3.20
assign (resid 66 and name hb2 ) (resid 67 and name hn  ) 1.80 0.00 3.20
assign (resid 66 and name hb# ) (resid 67 and name hn  ) 1.80 0.00 2.20
assign (resid 66 and name hn  ) (resid 67 and name hn  ) 1.80 0.00 1.20
assign (resid 66 and name hn  ) (resid 68 and name hn  ) 1.80 0.00 3.20
assign (resid 66 and name he3 ) (resid 67 and name ha  ) 1.80 0.00 2.20
assign (resid 66 and name he3 ) (resid 70 and name hg* ) 1.80 0.00 4.20
assign (resid 66 and name he1 ) (resid 70 and name hg* ) 1.80 0.00 4.20
assign (resid 66 and name he1 ) (resid 66 and name ha  ) 1.80 0.00 3.20
assign (resid 66 and name hz3 ) (resid 70 and name hg* ) 1.80 0.00 4.20
assign (resid 66 and name hz2 ) (resid 70 and name hg* ) 1.80 0.00 4.20
assign (resid 66 and name hh2 ) (resid 49 and name ha  ) 1.80 0.00 4.20
assign (resid 66 and name hz3 ) (resid 50 and name hd* ) 1.80 0.00 4.20
assign (resid 66 and name he3 ) (resid 50 and name hd* ) 1.80 0.00 4.20
assign (resid 66 and name hd1 ) (resid 66 and name hn  ) 1.80 0.00 4.20
assign (resid 66 and name he3 ) (resid 66 and name hn  ) 1.80 0.00 4.20
assign (resid 66 and name he3 ) (resid 67 and name hn  ) 1.80 0.00 3.20
assign (resid 66 and name hd1 ) (resid 66 and name he1 ) 1.80 0.00 1.20
assign (resid 66 and name he1 ) (resid 66 and name hz2 ) 1.80 0.00 3.20
!A67
assign (resid 67 and name ha  ) (resid 67 and name hn  ) 1.80 0.00 2.20
assign (resid 67 and name ha  ) (resid 68 and name hn  ) 1.80 0.00 2.20
assign (resid 67 and name ha  ) (resid 69 and name hn  ) 1.80 0.00 3.20
assign (resid 67 and name ha  ) (resid 70 and name hn  ) 1.80 0.00 2.20
assign (resid 67 and name ha  ) (resid 71 and name hn  ) 1.80 0.00 4.20
assign (resid 67 and name hb# ) (resid 67 and name hn  ) 1.80 0.00 2.20
assign (resid 67 and name hb# ) (resid 68 and name hn  ) 1.80 0.00 2.20
assign (resid 67 and name hn  ) (resid 68 and name hn  ) 1.80 0.00 1.20
assign (resid 67 and name hn  ) (resid 69 and name hb# ) 1.80 0.00 4.20
assign (resid 67 and name hn  ) (resid 69 and name hn  ) 1.80 0.00 3.20
!L68
assign (resid 68 and name ha  ) (resid 68 and name hn  ) 1.80 0.00 2.20
assign (resid 68 and name ha  ) (resid 69 and name hn  ) 1.80 0.00 2.20
assign (resid 68 and name ha  ) (resid 71 and name hn  ) 1.80 0.00 2.20
assign (resid 68 and name hb1 ) (resid 68 and name hn  ) 1.80 0.00 2.20
assign (resid 68 and name hb2 ) (resid 68 and name hn  ) 1.80 0.00 2.20
assign (resid 68 and name hb1 ) (resid 69 and name hn  ) 1.80 0.00 3.20
assign (resid 68 and name hb2 ) (resid 69 and name hn  ) 1.80 0.00 3.20
assign (resid 68 and name hb# ) (resid 69 and name hn  ) 1.80 0.00 2.20
assign (resid 68 and name hd1#) (resid 68 and name hn  ) 1.80 0.00 4.20
assign (resid 68 and name hd2#) (resid 68 and name hn  ) 1.80 0.00 4.20
assign (resid 68 and name hd1#) (resid 69 and name hn  ) 1.80 0.00 4.20
assign (resid 68 and name hd2#) (resid 69 and name hn  ) 1.80 0.00 4.20
assign (resid 68 and name hd* ) (resid 81 and name hn  ) 1.80 0.00 4.20
assign (resid 68 and name hg  ) (resid 68 and name hn  ) 1.80 0.00 3.20
assign (resid 68 and name hg  ) (resid 69 and name hn  ) 1.80 0.00 3.20
assign (resid 68 and name hn  ) (resid 69 and name hn  ) 1.80 0.00 1.20
assign (resid 68 and name hn  ) (resid 70 and name hn  ) 1.80 0.00 3.20
assign (resid 68 and name hd* ) (resid 83 and name hn  ) 1.80 0.00 3.20
!K69
assign (resid 69 and name ha  ) (resid 69 and name hn  ) 1.80 0.00 2.20
assign (resid 69 and name ha  ) (resid 70 and name hn  ) 1.80 0.00 2.20
assign (resid 69 and name ha  ) (resid 72 and name hn  ) 1.80 0.00 2.20
assign (resid 69 and name ha  ) (resid 73 and name hn  ) 1.80 0.00 3.20
assign (resid 69 and name hb1 ) (resid 69 and name hn  ) 1.80 0.00 2.20
assign (resid 69 and name hb2 ) (resid 69 and name hn  ) 1.80 0.00 2.20
assign (resid 69 and name hb1 ) (resid 70 and name hn  ) 1.80 0.00 2.20
assign (resid 69 and name hb2 ) (resid 70 and name hn  ) 1.80 0.00 2.20
assign (resid 69 and name hg1 ) (resid 69 and name hn  ) 1.80 0.00 4.20
assign (resid 69 and name hg2 ) (resid 69 and name hn  ) 1.80 0.00 4.20
assign (resid 69 and name hn  ) (resid 70 and name hn  ) 1.80 0.00 1.20
assign (resid 69 and name hn  ) (resid 70 and name hg* ) 1.80 0.00 4.20
assign (resid 69 and name hn  ) (resid 71 and name hn  ) 1.80 0.00 3.20
assign (resid 69 and name hn  ) (resid 71 and name hb# ) 1.80 0.00 4.20
!V70
assign (resid 70 and name ha  ) (resid 70 and name hn  ) 1.80 0.00 2.20
assign (resid 70 and name ha  ) (resid 71 and name hn  ) 1.80 0.00 2.20
assign (resid 70 and name ha  ) (resid 72 and name hn  ) 1.80 0.00 3.20
assign (resid 70 and name ha  ) (resid 73 and name hn  ) 1.80 0.00 2.20
assign (resid 70 and name ha  ) (resid 74 and name hn  ) 1.80 0.00 3.20
assign (resid 70 and name hb  ) (resid 70 and name hn  ) 1.80 0.00 2.20
assign (resid 70 and name hb  ) (resid 71 and name hn  ) 1.80 0.00 2.20
assign (resid 70 and name hg1#) (resid 70 and name hn  ) 1.80 0.00 3.20
assign (resid 70 and name hg2#) (resid 70 and name hn  ) 1.80 0.00 3.20
assign (resid 70 and name hg1#) (resid 71 and name hn  ) 1.80 0.00 4.20
assign (resid 70 and name hg2#) (resid 71 and name hn  ) 1.80 0.00 4.20
assign (resid 70 and name hg* ) (resid 74 and name hn  ) 1.80 0.00 4.20
assign (resid 70 and name hn  ) (resid 71 and name hn  ) 1.80 0.00 1.20
assign (resid 70 and name hn  ) (resid 72 and name hn  ) 1.80 0.00 3.20
!A71
assign (resid 71 and name ha  ) (resid 71 and name hn  ) 1.80 0.00 2.20
assign (resid 71 and name ha  ) (resid 72 and name hn  ) 1.80 0.00 2.20
assign (resid 71 and name ha  ) (resid 74 and name hn  ) 1.80 0.00 2.20
assign (resid 71 and name ha  ) (resid 75 and name hn  ) 1.80 0.00 3.20
assign (resid 71 and name hb# ) (resid 71 and name hn  ) 1.80 0.00 3.20
assign (resid 71 and name hb# ) (resid 72 and name hn  ) 1.80 0.00 2.20
assign (resid 71 and name hn  ) (resid 72 and name hn  ) 1.80 0.00 1.20
assign (resid 71 and name hn  ) (resid 73 and name hn  ) 1.80 0.00 2.20
!E72
assign (resid 72 and name ha  ) (resid 72 and name hn  ) 1.80 0.00 2.20
assign (resid 72 and name ha  ) (resid 73 and name hn  ) 1.80 0.00 2.20
assign (resid 72 and name hb1 ) (resid 72 and name hn  ) 1.80 0.00 2.20
assign (resid 72 and name hb2 ) (resid 72 and name hn  ) 1.80 0.00 2.20
assign (resid 72 and name hb1 ) (resid 73 and name hn  ) 1.80 0.00 3.20
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!N73
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!E74
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assign (resid 74 and name hg# ) (resid 74 and name hn  ) 1.80 0.00 2.20
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!L75
assign (resid 75 and name ha  ) (resid 75 and name hn  ) 1.80 0.00 2.20
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assign (resid 75 and name hd1#) (resid 75 and name hn  ) 1.80 0.00 3.20
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assign (resid 75 and name hg  ) (resid 75 and name hn  ) 1.80 0.00 3.20
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!G76
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!I77
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assign (resid 77 and name hb  ) (resid 77 and name hn  ) 1.80 0.00 2.20
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assign (resid 77 and name hg2#) (resid 77 and name hn  ) 1.80 0.00 4.20
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assign (resid 77 and name hn  ) (resid 78 and name hn  ) 1.80 0.00 3.20
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!T78
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assign (resid 78 and name hb  ) (resid 78 and name hn  ) 1.80 0.00 1.20
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!P79
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!V80
assign (resid 80 and name ha  ) (resid 80 and name hn  ) 1.80 0.00 2.20
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assign (resid 80 and name hg1#) (resid 80 and name hn  ) 1.80 0.00 3.20
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!V81
assign (resid 81 and name ha  ) (resid 81 and name hn  ) 1.80 0.00 2.20
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assign (resid 81 and name hb  ) (resid 81 and name hn  ) 1.80 0.00 2.20
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!S82
assign (resid 82 and name ha  ) (resid 82 and name hn  ) 1.80 0.00 2.20
assign (resid 82 and name ha  ) (resid 83 and name hn  ) 1.80 0.00 2.20
assign (resid 82 and name ha  ) (resid 84 and name hn  ) 1.80 0.00 4.20
assign (resid 82 and name hb1 ) (resid 82 and name hn  ) 1.80 0.00 2.20
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assign (resid 82 and name hn  ) (resid 83 and name hn  ) 1.80 0.00 4.20
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assign (resid 82 and name hn  ) (resid 85 and name hn  ) 1.80 0.00 3.20
assign (resid 82 and name hn  ) (resid 85 and name hb# ) 1.80 0.00 2.20
!A83
assign (resid 83 and name ha  ) (resid 83 and name hn  ) 1.80 0.00 2.20
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assign (resid 83 and name hb# ) (resid 83 and name hn  ) 1.80 0.00 2.20
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assign (resid 83 and name hn  ) (resid 85 and name hn  ) 1.80 0.00 3.20
!Q84
assign (resid 84 and name ha  ) (resid 84 and name hn  ) 1.80 0.00 2.20
assign (resid 84 and name ha  ) (resid 85 and name hn  ) 1.80 0.00 2.20
assign (resid 84 and name ha  ) (resid 86 and name hn  ) 1.80 0.00 3.20
assign (resid 84 and name ha  ) (resid 87 and name hn  ) 1.80 0.00 3.20
assign (resid 84 and name ha  ) (resid 88 and name hn  ) 1.80 0.00 4.20
assign (resid 84 and name hb1 ) (resid 84 and name hn  ) 1.80 0.00 2.20
assign (resid 84 and name hb2 ) (resid 84 and name hn  ) 1.80 0.00 2.20
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!A85
assign (resid 85 and name ha  ) (resid 85 and name hn  ) 1.80 0.00 2.20
assign (resid 85 and name ha  ) (resid 86 and name hn  ) 1.80 0.00 3.20
assign (resid 85 and name ha  ) (resid 87 and name hn  ) 1.80 0.00 3.20
assign (resid 85 and name ha  ) (resid 88 and name hn  ) 1.80 0.00 3.20
assign (resid 85 and name ha  ) (resid 89 and name hn  ) 1.80 0.00 3.20
assign (resid 85 and name ha  ) (resid 90 and name hn  ) 1.80 0.00 4.20
assign (resid 85 and name hb# ) (resid 85 and name hn  ) 1.80 0.00 1.20
assign (resid 85 and name hb# ) (resid 86 and name hn  ) 1.80 0.00 2.20
assign (resid 85 and name hb# ) (resid 91 and name hn  ) 1.80 0.00 4.20
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assign (resid 85 and name hn  ) (resid 86 and name hg* ) 1.80 0.00 4.20
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!V86
assign (resid 86 and name ha  ) (resid 86 and name hn  ) 1.80 0.00 2.20
assign (resid 86 and name ha  ) (resid 87 and name hn  ) 1.80 0.00 3.20
assign (resid 86 and name ha  ) (resid 89 and name hn  ) 1.80 0.00 3.20
assign (resid 86 and name hb  ) (resid 86 and name hn  ) 1.80 0.00 2.20
assign (resid 86 and name hb  ) (resid 86 and name hn  ) 1.80 0.00 4.20
assign (resid 86 and name hg1#) (resid 86 and name hn  ) 1.80 0.00 3.20
assign (resid 86 and name hg2#) (resid 86 and name hn  ) 1.80 0.00 3.20
assign (resid 86 and name hg* ) (resid 86 and name hn  ) 1.80 0.00 3.20
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!V87
assign (resid 87 and name ha  ) (resid 87 and name hn  ) 1.80 0.00 2.20
assign (resid 87 and name ha  ) (resid 88 and name hn  ) 1.80 0.00 2.20
assign (resid 87 and name hb  ) (resid 87 and name hn  ) 1.80 0.00 1.20
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assign (resid 87 and name hg1#) (resid 87 and name hn  ) 1.80 0.00 2.20
assign (resid 87 and name hg2#) (resid 87 and name hn  ) 1.80 0.00 2.20
assign (resid 87 and name hg1#) (resid 88 and name hn  ) 1.80 0.00 3.20
assign (resid 87 and name hg2#) (resid 88 and name hn  ) 1.80 0.00 3.20
assign (resid 87 and name hn  ) (resid 88 and name hn  ) 1.80 0.00 2.20
assign (resid 87 and name hn  ) (resid 89 and name hn  ) 1.80 0.00 3.20
!A88
assign (resid 88 and name ha  ) (resid 88 and name hn  ) 1.80 0.00 2.20
assign (resid 88 and name ha  ) (resid 89 and name hn  ) 1.80 0.00 3.20
assign (resid 88 and name hb# ) (resid 88 and name hn  ) 1.80 0.00 1.20
assign (resid 88 and name hb# ) (resid 89 and name hn  ) 1.80 0.00 3.20
assign (resid 88 and name hb# ) (resid 90 and name hn  ) 1.80 0.00 3.20
assign (resid 88 and name hn  ) (resid 89 and name hn  ) 1.80 0.00 1.20
!G89
assign (resid 89 and name ha1 ) (resid 89 and name hn  ) 1.80 0.00 2.20
assign (resid 89 and name ha2 ) (resid 89 and name hn  ) 1.80 0.00 2.20
assign (resid 89 and name ha# ) (resid 90 and name hn  ) 1.80 0.00 3.20
assign (resid 89 and name ha# ) (resid 91 and name hn  ) 1.80 0.00 3.20
assign (resid 89 and name hn  ) (resid 90 and name hn  ) 1.80 0.00 1.20
!S90
assign (resid 90 and name ha  ) (resid 90 and name hn  ) 1.80 0.00 2.20
assign (resid 90 and name ha  ) (resid 91 and name hn  ) 1.80 0.00 2.20
assign (resid 90 and name hb1 ) (resid 90 and name hn  ) 1.80 0.00 3.20
assign (resid 90 and name hb2 ) (resid 90 and name hn  ) 1.80 0.00 3.20
assign (resid 90 and name hb1 ) (resid 91 and name hn  ) 1.80 0.00 3.20
assign (resid 90 and name hb2 ) (resid 91 and name hn  ) 1.80 0.00 3.20
assign (resid 90 and name hn  ) (resid 91 and name hn  ) 1.80 0.00 2.20
!D91
assign (resid 91 and name ha  ) (resid 91 and name hn  ) 1.80 0.00 2.20
assign (resid 91 and name ha  ) (resid 93 and name hn  ) 1.80 0.00 3.20
assign (resid 91 and name ha  ) (resid 94 and name hn  ) 1.80 0.00 4.20
assign (resid 91 and name hb1 ) (resid 91 and name hn  ) 1.80 0.00 2.20
assign (resid 91 and name hb2 ) (resid 91 and name hn  ) 1.80 0.00 2.20
assign (resid 91 and name hb# ) (resid 91 and name hn  ) 1.80 0.00 1.20
assign (resid 91 and name hb# ) (resid 93 and name hn  ) 1.80 0.00 4.20
assign (resid 91 and name hn  ) (resid 92 and name hd1 ) 1.80 0.00 3.20
assign (resid 91 and name hn  ) (resid 92 and name hd2 ) 1.80 0.00 3.20
assign (resid 91 and name hn  ) (resid 92 and name hd# ) 1.80 0.00 2.20
assign (resid 91 and name hn  ) (resid 93 and name hn  ) 1.80 0.00 4.20
!P92
assign (resid 92 and name ha  ) (resid 93 and name hn  ) 1.80 0.00 2.20
assign (resid 92 and name ha  ) (resid 95 and name hn  ) 1.80 0.00 2.20
assign (resid 92 and name ha  ) (resid 96 and name hn  ) 1.80 0.00 4.20
assign (resid 92 and name hd1 ) (resid 93 and name hn  ) 1.80 0.00 3.20
assign (resid 92 and name hd2 ) (resid 93 and name hn  ) 1.80 0.00 3.20
assign (resid 92 and name hd# ) (resid 93 and name hn  ) 1.80 0.00 2.20
!L93
assign (resid 93 and name ha  ) (resid 93 and name hn  ) 1.80 0.00 2.20
assign (resid 93 and name ha  ) (resid 94 and name hn  ) 1.80 0.00 2.20
assign (resid 93 and name ha  ) (resid 96 and name hn  ) 1.80 0.00 2.20
assign (resid 93 and name hb1 ) (resid 93 and name hn  ) 1.80 0.00 2.20
assign (resid 93 and name hb2 ) (resid 93 and name hn  ) 1.80 0.00 2.20
assign (resid 93 and name hb1 ) (resid 94 and name hn  ) 1.80 0.00 3.20
assign (resid 93 and name hb2 ) (resid 94 and name hn  ) 1.80 0.00 3.20
assign (resid 93 and name hd1#) (resid 93 and name hn  ) 1.80 0.00 3.20
assign (resid 93 and name hd2#) (resid 93 and name hn  ) 1.80 0.00 3.20
assign (resid 93 and name hd* ) (resid 94 and name hn  ) 1.80 0.00 4.20
assign (resid 93 and name hg  ) (resid 93 and name hn  ) 1.80 0.00 3.20
assign (resid 93 and name hg  ) (resid 94 and name hn  ) 1.80 0.00 4.20
assign (resid 93 and name hn  ) (resid 94 and name hn  ) 1.80 0.00 1.20
assign (resid 93 and name hn  ) (resid 95 and name hn  ) 1.80 0.00 3.20
!G94
assign (resid 94 and name ha1 ) (resid 94 and name hn  ) 1.80 0.00 3.20
assign (resid 94 and name ha2 ) (resid 94 and name hn  ) 1.80 0.00 3.20
assign (resid 94 and name ha# ) (resid 94 and name hn  ) 1.80 0.00 2.20
assign (resid 94 and name ha# ) (resid 97 and name hn  ) 1.80 0.00 2.20
assign (resid 94 and name ha1 ) (resid 95 and name hn  ) 1.80 0.00 2.20
assign (resid 94 and name ha2 ) (resid 95 and name hn  ) 1.80 0.00 2.20
assign (resid 94 and name hn  ) (resid 95 and name hn  ) 1.80 0.00 1.20
assign (resid 94 and name hn  ) (resid 95 and name hb# ) 1.80 0.00 4.20
assign (resid 94 and name hn  ) (resid 95 and name hd* ) 1.80 0.00 4.20
assign (resid 94 and name hn  ) (resid 96 and name hn  ) 1.80 0.00 3.20
!L95
assign (resid 95 and name ha  ) (resid 95 and name hn  ) 1.80 0.00 2.20
assign (resid 95 and name ha  ) (resid 96 and name hn  ) 1.80 0.00 2.20
assign (resid 95 and name ha  ) (resid 97 and name hn  ) 1.80 0.00 3.20
assign (resid 95 and name ha  ) (resid 98 and name hn  ) 1.80 0.00 2.20
assign (resid 95 and name hb1 ) (resid 95 and name hn  ) 1.80 0.00 2.20
assign (resid 95 and name hb2 ) (resid 95 and name hn  ) 1.80 0.00 2.20
assign (resid 95 and name hb1 ) (resid 96 and name hn  ) 1.80 0.00 2.20
assign (resid 95 and name hb2 ) (resid 96 and name hn  ) 1.80 0.00 2.20
assign (resid 95 and name hd1#) (resid 95 and name hn  ) 1.80 0.00 3.20
assign (resid 95 and name hd2#) (resid 95 and name hn  ) 1.80 0.00 3.20
assign (resid 95 and name hg  ) (resid 95 and name hn  ) 1.80 0.00 3.20
assign (resid 95 and name hn  ) (resid 96 and name hn  ) 1.80 0.00 1.20
assign (resid 95 and name hn  ) (resid 97 and name hn  ) 1.80 0.00 3.20
!I96
assign (resid 96 and name ha  ) (resid 96 and name hn  ) 1.80 0.00 2.20
assign (resid 96 and name ha  ) (resid 97 and name hn  ) 1.80 0.00 2.20
assign (resid 96 and name ha  ) (resid 99 and name hn  ) 1.80 0.00 2.20
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assign (resid 96 and name hb  ) (resid 96 and name hn  ) 1.80 0.00 2.20
assign (resid 96 and name hb  ) (resid 97 and name hn  ) 1.80 0.00 2.20
assign (resid 96 and name hd1#) (resid 96 and name hn  ) 1.80 0.00 3.20
assign (resid 96 and name hg11) (resid 96 and name hn  ) 1.80 0.00 2.20
assign (resid 96 and name hg12) (resid 96 and name hn  ) 1.80 0.00 2.20
assign (resid 96 and name hg2#) (resid 96 and name hn  ) 1.80 0.00 3.20
assign (resid 96 and name hg1#) (resid 97 and name hn  ) 1.80 0.00 3.20
assign (resid 96 and name hg2#) (resid 97 and name hn  ) 1.80 0.00 3.20
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assign (resid 96 and name hn  ) (resid 97 and name hn  ) 1.80 0.00 1.20
assign (resid 96 and name hn  ) (resid 98 and name hn  ) 1.80 0.00 3.20
!A97
assign (resid 97 and name ha  ) (resid 97 and name hn  ) 1.80 0.00 2.20
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assign (resid 97 and name ha  ) (resid 100 and name hn ) 1.80 0.00 2.20
assign (resid 97 and name hb# ) (resid 97 and name hn  ) 1.80 0.00 2.20
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!Y98
assign (resid 98 and name ha  ) (resid 98 and name hn  ) 1.80 0.00 2.20
assign (resid 98 and name ha  ) (resid 99 and name hn  ) 1.80 0.00 2.20
assign (resid 98 and name ha  ) (resid 100 and name hn ) 1.80 0.00 3.20
assign (resid 98 and name ha  ) (resid 101 and name hn ) 1.80 0.00 2.20
assign (resid 98 and name hb1 ) (resid 98 and name hn  ) 1.80 0.00 2.20
assign (resid 98 and name hb2 ) (resid 98 and name hn  ) 1.80 0.00 2.20
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assign (resid 98 and name hb2 ) (resid 99 and name hn  ) 1.80 0.00 3.20
assign (resid 98 and name hb# ) (resid 99 and name hn  ) 1.80 0.00 2.20
assign (resid 98 and name hd# ) (resid 99 and name hn  ) 1.80 0.00 4.20
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assign (resid 98 and name hn  ) (resid 98 and name hd# ) 1.80 0.00 4.20
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assign (resid 98 and name hn  ) (resid 99 and name hd* ) 1.80 0.00 4.20
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!L99
assign (resid 99 and name ha  ) (resid 99 and name hn  ) 1.80 0.00 2.20
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assign (resid 99 and name ha  ) (resid 102 and name hn ) 1.80 0.00 2.20
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assign (resid 99 and name hb1 ) (resid 99 and name hn  ) 1.80 0.00 2.20
assign (resid 99 and name hb2 ) (resid 99 and name hn  ) 1.80 0.00 2.20
assign (resid 99 and name hb1 ) (resid 100 and name hn ) 1.80 0.00 2.20
assign (resid 99 and name hb2 ) (resid 100 and name hn ) 1.80 0.00 2.20
assign (resid 99 and name hd1#) (resid 99 and name hn  ) 1.80 0.00 3.20
assign (resid 99 and name hd2#) (resid 99 and name hn  ) 1.80 0.00 3.20
assign (resid 99 and name hd* ) (resid 100 and name hn ) 1.80 0.00 4.20
assign (resid 99 and name hg  ) (resid 99 and name hn  ) 1.80 0.00 3.20
assign (resid 99 and name hg  ) (resid 100 and name hn ) 1.80 0.00 4.20
assign (resid 99 and name hn  ) (resid 100 and name hn ) 1.80 0.00 1.20
assign (resid 99 and name hn  ) (resid 101 and name hn ) 1.80 0.00 3.20
!S100
assign (resid 100 and name ha  ) (resid 100 and name hn ) 1.80 0.00 2.20
assign (resid 100 and name ha  ) (resid 101 and name hn ) 1.80 0.00 2.20
assign (resid 100 and name ha  ) (resid 103 and name hn ) 1.80 0.00 2.20
assign (resid 100 and name ha  ) (resid 104 and name hn ) 1.80 0.00 3.20
assign (resid 100 and name hb1 ) (resid 100 and name hn ) 1.80 0.00 2.20
assign (resid 100 and name hb2 ) (resid 100 and name hn ) 1.80 0.00 2.20
assign (resid 100 and name hb# ) (resid 101 and name hn ) 1.80 0.00 2.20
assign (resid 100 and name hn  ) (resid 101 and name hn ) 1.80 0.00 1.20
!H101
assign (resid 101 and name ha  ) (resid 101 and name hn ) 1.80 0.00 2.20
assign (resid 101 and name ha  ) (resid 102 and name hn ) 1.80 0.00 2.20
assign (resid 101 and name ha  ) (resid 104 and name hn ) 1.80 0.00 2.20
assign (resid 101 and name ha  ) (resid 105 and name hn ) 1.80 0.00 3.20
assign (resid 101 and name hb1 ) (resid 101 and name hn ) 1.80 0.00 2.20
assign (resid 101 and name hb2 ) (resid 101 and name hn ) 1.80 0.00 2.20
assign (resid 101 and name hb1 ) (resid 102 and name hn ) 1.80 0.00 2.20
assign (resid 101 and name hb2 ) (resid 102 and name hn ) 1.80 0.00 2.20
assign (resid 101 and name hd1 ) (resid 105 and name hn ) 1.80 0.00 4.20
assign (resid 101 and name hn  ) (resid 102 and name hn ) 1.80 0.00 1.20
assign (resid 101 and name hn  ) (resid 102 and name hb#) 1.80 0.00 4.20
assign (resid 101 and name hn  ) (resid 103 and name hn ) 1.80 0.00 3.20
!F102
assign (resid 102 and name ha  ) (resid 102 and name hn ) 1.80 0.00 2.20
assign (resid 102 and name ha  ) (resid 103 and name hn ) 1.80 0.00 2.20
assign (resid 102 and name ha  ) (resid 105 and name hn ) 1.80 0.00 2.20
assign (resid 102 and name hb1 ) (resid 102 and name hn ) 1.80 0.00 2.20
assign (resid 102 and name hb2 ) (resid 102 and name hn ) 1.80 0.00 2.20
assign (resid 102 and name hb1 ) (resid 103 and name hn ) 1.80 0.00 2.20
assign (resid 102 and name hb2 ) (resid 103 and name hn ) 1.80 0.00 2.20
assign (resid 102 and name hd# ) (resid 103 and name hn ) 1.80 0.00 4.20
assign (resid 102 and name hn  ) (resid 102 and name hd#) 1.80 0.00 2.20
assign (resid 102 and name hn  ) (resid 103 and name hn ) 1.80 0.00 1.20
assign (resid 102 and name hn  ) (resid 103 and name hb#) 1.80 0.00 4.20
!H103
assign (resid 103 and name ha  ) (resid 103 and name hn ) 1.80 0.00 2.20
assign (resid 103 and name ha  ) (resid 104 and name hn ) 1.80 0.00 2.20
assign (resid 103 and name ha  ) (resid 106 and name hn ) 1.80 0.00 2.20
assign (resid 103 and name ha  ) (resid 107 and name hn ) 1.80 0.00 3.20
assign (resid 103 and name hb1 ) (resid 103 and name hn ) 1.80 0.00 2.20
assign (resid 103 and name hb2 ) (resid 103 and name hn ) 1.80 0.00 2.20
assign (resid 103 and name hb1 ) (resid 104 and name hn ) 1.80 0.00 2.20
assign (resid 103 and name hb2 ) (resid 104 and name hn ) 1.80 0.00 2.20
assign (resid 103 and name hn  ) (resid 104 and name hn ) 1.80 0.00 1.20
assign (resid 103 and name hn  ) (resid 105 and name hn ) 1.80 0.00 3.20
!S104
assign (resid 104 and name ha  ) (resid 104 and name hn ) 1.80 0.00 2.20
assign (resid 104 and name ha  ) (resid 105 and name hn ) 1.80 0.00 2.20
assign (resid 104 and name ha  ) (resid 107 and name hn ) 1.80 0.00 2.20
assign (resid 104 and name hb1 ) (resid 104 and name hn ) 1.80 0.00 2.20
assign (resid 104 and name hb2 ) (resid 104 and name hn ) 1.80 0.00 2.20
assign (resid 104 and name hb1 ) (resid 105 and name hn ) 1.80 0.00 2.20
assign (resid 104 and name hb2 ) (resid 105 and name hn ) 1.80 0.00 2.20
assign (resid 104 and name hn  ) (resid 105 and name hn ) 1.80 0.00 1.20
assign (resid 104 and name hn  ) (resid 106 and name hn ) 1.80 0.00 3.20
!A105
assign (resid 105 and name ha  ) (resid 105 and name hn ) 1.80 0.00 2.20
assign (resid 105 and name ha  ) (resid 106 and name hn ) 1.80 0.00 2.20
assign (resid 105 and name ha  ) (resid 108 and name hn ) 1.80 0.00 2.20
assign (resid 105 and name hb# ) (resid 105 and name hn ) 1.80 0.00 2.20
assign (resid 105 and name hb# ) (resid 106 and name hn ) 1.80 0.00 2.20
assign (resid 105 and name hn  ) (resid 106 and name hn ) 1.80 0.00 1.20
assign (resid 105 and name hn  ) (resid 106 and name hd1) 1.80 0.00 4.20
assign (resid 105 and name hn  ) (resid 107 and name hn ) 1.80 0.00 3.20
!F106
assign (resid 106 and name ha  ) (resid 106 and name hn ) 1.80 0.00 2.20
assign (resid 106 and name ha  ) (resid 107 and name hn ) 1.80 0.00 2.20
assign (resid 106 and name ha  ) (resid 108 and name hn ) 1.80 0.00 3.20
assign (resid 106 and name ha  ) (resid 109 and name hn ) 1.80 0.00 3.20
assign (resid 106 and name hb1 ) (resid 106 and name hn ) 1.80 0.00 2.20
assign (resid 106 and name hb2 ) (resid 106 and name hn ) 1.80 0.00 2.20
assign (resid 106 and name hb# ) (resid 107 and name hn ) 1.80 0.00 2.20
assign (resid 106 and name hd1 ) (resid 106 and name hn ) 1.80 0.00 2.20
assign (resid 106 and name hd2 ) (resid 106 and name hn ) 1.80 0.00 3.20
assign (resid 106 and name hd# ) (resid 107 and name hn ) 1.80 0.00 4.20
assign (resid 106 and name hn  ) (resid 107 and name hn ) 1.80 0.00 1.20
assign (resid 106 and name hn  ) (resid 107 and name hb#) 1.80 0.00 4.20
assign (resid 106 and name hn  ) (resid 108 and name hn ) 1.80 0.00 3.20
!K107
assign (resid 107 and name ha  ) (resid 107 and name hn ) 1.80 0.00 2.20
assign (resid 107 and name ha  ) (resid 108 and name hn ) 1.80 0.00 2.20
assign (resid 107 and name hb1 ) (resid 107 and name hn ) 1.80 0.00 2.20
assign (resid 107 and name hb2 ) (resid 107 and name hn ) 1.80 0.00 2.20
assign (resid 107 and name hb1 ) (resid 108 and name hn ) 1.80 0.00 2.20
assign (resid 107 and name hb2 ) (resid 108 and name hn ) 1.80 0.00 2.20
assign (resid 107 and name hg1 ) (resid 107 and name hn ) 1.80 0.00 3.20
assign (resid 107 and name hg2 ) (resid 107 and name hn ) 1.80 0.00 3.20
assign (resid 107 and name hg# ) (resid 108 and name hn ) 1.80 0.00 4.20
assign (resid 107 and name hd# ) (resid 108 and name hn ) 1.80 0.00 4.20
assign (resid 107 and name hn  ) (resid 108 and name hn ) 1.80 0.00 1.20
assign (resid 107 and name hn  ) (resid 109 and name hn ) 1.80 0.00 3.20
!S108
assign (resid 108 and name ha  ) (resid 108 and name hn ) 1.80 0.00 2.20
assign (resid 108 and name ha  ) (resid 109 and name hn ) 1.80 0.00 2.20
assign (resid 108 and name hb1 ) (resid 108 and name hn ) 1.80 0.00 2.20
assign (resid 108 and name hb2 ) (resid 108 and name hn ) 1.80 0.00 2.20
assign (resid 108 and name hb# ) (resid 108 and name hn ) 1.80 0.00 2.20
assign (resid 108 and name hn  ) (resid 109 and name hn ) 1.80 0.00 1.20
!M109
assign (resid 109 and name ha  ) (resid 109 and name hn ) 1.80 0.00 2.20
assign (resid 109 and name hb1 ) (resid 109 and name hn ) 1.80 0.00 2.20
assign (resid 109 and name hb2 ) (resid 109 and name hn ) 1.80 0.00 2.20
assign (resid 109 and name hg# ) (resid 109 and name hn ) 1.80 0.00 4.20
!M0
assign (resid 0 and name ha   ) (resid  0 and name hg# ) 1.80 0.00 3.20
!G1
!S2
assign (resid 2 and name ha   ) (resid 5 and name hg2# ) 1.80 0.00 4.20
!A3
assign (resid 3 and name ha   ) (resid 6 and name hb1  ) 1.80 0.00 3.20
assign (resid 3 and name ha   ) (resid 6 and name hb2  ) 1.80 0.00 3.20
assign (resid 3 and name ha   ) (resid 6 and name hb#  ) 1.80 0.00 2.20
!G4
assign (resid 4 and name ha#  ) (resid 5 and name ha   ) 1.80 0.00 4.20
assign (resid 4 and name ha#  ) (resid 7 and name hb#  ) 1.80 0.00 2.20
!T5
assign (resid 5 and name ha    ) (resid  8 and name hb#  ) 1.80 0.00 2.20
assign (resid 5 and name ha    ) (resid 5 and name hg2#  ) 1.80 0.00 2.20
assign (resid 5 and name ha    ) (resid 9 and name hd*   ) 1.80 0.00 4.20
assign (resid 5 and name hg2#  ) (resid 8 and name hg#   ) 1.80 0.00 4.20
!Q6
assign (resid 6 and name ha   ) (resid 9 and name hb#  ) 1.80 0.00 2.20
assign (resid 6 and name hb#   ) (resid 96 and name hg2# ) 1.80 0.00 4.20
assign (resid 6 and name he21  ) (resid 96 and name hd1#  ) 1.80 0.00 4.20
assign (resid 6 and name he22  ) (resid 96 and name hd1#  ) 1.80 0.00 4.20 
!E7
assign (resid 7 and name ha    ) (resid 7 and name hg#   ) 1.80 0.00 3.20
assign (resid 7 and name ha    ) (resid 10 and name hb#  ) 1.80 0.00 2.20
assign (resid 7 and name hg#   ) (resid 10 and name hd*  ) 1.80 0.00 4.20
!E8
assign (resid 8 and name ha    ) (resid 11 and name hb#  ) 1.80 0.00 2.20
assign (resid 8 and name hg#   ) (resid 9  and name hg   ) 1.80 0.00 4.20
assign (resid 8 and name hg#   ) (resid 10 and name hb#  ) 1.80 0.00 4.20
assign (resid 8 and name hb#   ) (resid 11 and name hg#  ) 1.80 0.00 3.20
assign (resid 8 and name ha    ) (resid 11 and name hd#  ) 1.80 0.00 4.20
!L9
assign (resid 9 and name ha    ) (resid 9 and name hd1#  ) 1.80 0.00 4.20
assign (resid 9 and name ha    ) (resid 9 and name hd2#  ) 1.80 0.00 3.20
assign (resid 9 and name hb1   ) (resid 9 and name hd*   ) 1.80 0.00 3.20
assign (resid 9 and name hb2   ) (resid 9 and name hd*   ) 1.80 0.00 3.20
assign (resid 9 and name hb#   ) (resid 9 and name hd*   ) 1.80 0.00 2.20
assign (resid 9 and name ha    ) (resid 12 and name hb#  ) 1.80 0.00 2.20
assign (resid 9 and name hg    ) (resid 96 and name hd1# ) 1.80 0.00 4.20
assign (resid 9 and name hd2#  ) (resid 99 and name hd1# ) 1.80 0.00 4.20
assign (resid 9 and name hd2#  ) (resid 99 and name hd2# ) 1.80 0.00 4.20
assign (resid 9 and name hd1#  ) (resid 99 and name hd1# ) 1.80 0.00 4.20
assign (resid 9 and name hd1#  ) (resid 99 and name hd2# ) 1.80 0.00 4.20
assign (resid 9 and name hd*   ) (resid 99 and name hd*  ) 1.80 0.00 3.20
assign (resid 9 and name hd*   ) (resid 100 and name ha  ) 1.80 0.00 3.20
assign (resid 9 and name hd*   ) (resid 103 and name hb1 ) 1.80 0.00 4.20
assign (resid 9 and name hd*   ) (resid 103 and name hb2 ) 1.80 0.00 4.20
assign (resid 9 and name hd*   ) (resid 103 and name he1 ) 1.80 0.00 4.20
!L10
assign (resid 10 and name ha   ) (resid 13 and name hb#  ) 1.80 0.00 2.20
assign (resid 10 and name hb1  ) (resid 10 and name hd*  ) 1.80 0.00 3.20
assign (resid 10 and name hb2  ) (resid 10 and name hd*  ) 1.80 0.00 3.20
assign (resid 10 and name hd*  ) (resid 11 and name ha   ) 1.80 0.00 4.20
assign (resid 10 and name hd*  ) (resid 14 and name hb#  ) 1.80 0.00 3.20
assign (resid 10 and name hd*  ) (resid 25 and name hg* ) 1.80 0.00 3.20
assign (resid 10 and name hd1# ) (resid 27 and name ha   ) 1.80 0.00 3.20
assign (resid 10 and name hd2# ) (resid 27 and name ha   ) 1.80 0.00 3.20
assign (resid 10 and name hd*  ) (resid 27 and name ha   ) 1.80 0.00 3.20
assign (resid 10 and name hd*  ) (resid 26 and name ha   ) 1.80 0.00 3.20
assign (resid 10 and name ha   ) (resid 28 and name hd*  ) 1.80 0.00 3.20
!R11
assign (resid 11 and name hg#  ) (resid 12 and name ha   ) 1.80 0.00 4.20
assign (resid 11 and name ha   ) (resid 14 and name hb#  ) 1.80 0.00 2.20
assign (resid 11 and name ha   ) (resid 14 and name hg#  ) 1.80 0.00 4.20
!W12
assign (resid 12 and name ha   ) (resid 12 and name hd1  ) 1.80 0.00 2.20
assign (resid 12 and name ha   ) (resid 13 and name ha   ) 1.80 0.00 4.20
assign (resid 12 or resid 5 and name ha   ) (resid 14 or resid 8 or resid 7 and name hg#  ) 1.80 0.00 4.20
assign (resid 12 and name ha   ) (resid 15 and name hb1  ) 1.80 0.00 2.20
assign (resid 12 and name ha   ) (resid 15 and name hb2  ) 1.80 0.00 2.20
assign (resid 12 and name he3  ) (resid 13 and name ha   ) 1.80 0.00 2.20
assign (resid 12 and name hz3  ) (resid 13 and name ha   ) 1.80 0.00 3.20
assign (resid 12 and name hz3  ) (resid 41 and name hd1# ) 1.80 0.00 4.20
assign (resid 12 and name hz3  ) (resid 41 and name hd2# ) 1.80 0.00 4.20
assign (resid 12 and name hz3  ) (resid 99 and name ha   ) 1.80 0.00 4.20
assign (resid 12 and name hz2  ) (resid 103 and name ha  ) 1.80 0.00 3.20
!C13
assign (resid 13 and name ha   ) (resid 16 and name hb#  ) 1.80 0.00 2.20
assign (resid 13 and name ha   ) (resid 16 and name hg#  ) 1.80 0.00 4.20
assign (resid 13 and name hb#  ) (resid 25 and name hg*  ) 1.80 0.00 4.20
assign (resid 13 and name ha   ) (resid 25 and name hg*  ) 1.80 0.00 4.20
assign (resid 13 and name hb1  ) (resid 32 and name hz2  ) 1.80 0.00 3.20
assign (resid 13 and name hb2  ) (resid 32 and name hz2  ) 1.80 0.00 3.20
assign (resid 13 and name hb#  ) (resid 32 and name hh2  ) 1.80 0.00 3.20
!Q14
assign (resid 14 and name ha   ) (resid 17 and name hb#  ) 1.80 0.00 2.20
assign (resid 14 and name ha   ) (resid 25 and name hb   ) 1.80 0.00 3.20
assign (resid 14 and name ha   ) (resid 25 and name hg1# ) 1.80 0.00 4.20
assign (resid 14 and name ha   ) (resid 25 and name hg2# ) 1.80 0.00 4.20
assign (resid 14 and name hb#  ) (resid 25 and name ha   ) 1.80 0.00 3.20
assign (resid 14 and name hb#  ) (resid 25 and name hg*  ) 1.80 0.00 4.20
assign (resid 14 and name hg1  ) (resid 25 and name hb   ) 1.80 0.00 4.20
assign (resid 14 and name hg2  ) (resid 25 and name hb   ) 1.80 0.00 4.20
assign (resid 14 and name hg#  ) (resid 25 and name hg*  ) 1.80 0.00 4.20
!E15
assign (resid 15 and name ha   ) (resid 18 and name hb#  ) 1.80 0.00 2.20
!Q16
assign (resid 16 and name ha   ) (resid 44 and name hg#  ) 1.80 0.00 4.20
assign (resid 16 and name ha   ) (resid 44 and name hd#  ) 1.80 0.00 4.20
assign (resid 16 and name ha   ) (resid 45 and name hd*  ) 1.80 0.00 4.20
!T17
assign (resid 17 and name ha   ) (resid 17 and name hg2# ) 1.80 0.00 3.20
assign (resid 17 and name ha   ) (resid 23 and name hg2# ) 1.80 0.00 4.20
assign (resid 17 and name hb   ) (resid 23 and name hg*  ) 1.80 0.00 3.20
assign (resid 17 and name hg2# ) (resid 23 and name hg*  ) 1.80 0.00 3.20
assign (resid 17 and name hb   ) (resid 25 and name hg*  ) 1.80 0.00 4.20
assign (resid 17 and name hg2# ) (resid 25 and name hg*  ) 1.80 0.00 4.20
assign (resid 17 and name hg2# ) (resid 37 and name ha   ) 1.80 0.00 4.20
assign (resid 17 and name ha   ) (resid 40 and name hb#  ) 1.80 0.00 4.20
assign (resid 17 and name hb   ) (resid 40 and name hb#  ) 1.80 0.00 4.20
assign (resid 17 and name hg2# ) (resid 40 and name hb#  ) 1.80 0.00 3.20
assign (resid 17 and name ha   ) (resid 41 and name ha   ) 1.80 0.00 4.20
assign (resid 17 and name ha   ) (resid 41 and name hg   ) 1.80 0.00 3.20
assign (resid 17 and name hb   ) (resid 41 and name hd*  ) 1.80 0.00 4.20
assign (resid 17 and name hg2# ) (resid 41 and name hd*  ) 1.80 0.00 4.20
!A18
assign (resid 18 and name ha   ) (resid 19 and name ha#  ) 1.80 0.00 3.20
!G19
assign (resid 19 and name ha#  ) (resid 20 and name hd2  ) 1.80 0.00 2.20
assign (resid 19 and name ha#  ) (resid 20 and name he2  ) 1.80 0.00 3.20
!Y20
assign (resid 20 and name ha   ) (resid 20 and name hd2  ) 1.80 0.00 2.20
assign (resid 20 and name hb1  ) (resid 20 and name hd2  ) 1.80 0.00 3.20
assign (resid 20 and name hb2  ) (resid 20 and name hd2  ) 1.80 0.00 3.20
assign (resid 20 and name ha   ) (resid 21 and name ha   ) 1.80 0.00 4.20
assign (resid 20 and name ha   ) (resid 21 and name hd1  ) 1.80 0.00 2.20
assign (resid 20 and name ha   ) (resid 21 and name hd2  ) 1.80 0.00 2.20
assign (resid 20 and name hd#  ) (resid 21 and name hd1  ) 1.80 0.00 4.20
assign (resid 20 and name hd#  ) (resid 21 and name hd2  ) 1.80 0.00 4.20
assign (resid 20 and name hd#  ) (resid 21 and name hd#  ) 1.80 0.00 4.20
assign (resid 20 and name hb#  ) (resid 23 and name hb   ) 1.80 0.00 3.20
assign (resid 20 and name hb#  ) (resid 23 and name hg1# ) 1.80 0.00 3.20
assign (resid 20 and name hb#  ) (resid 23 and name hg2# ) 1.80 0.00 4.20
assign (resid 20 and name hd2  ) (resid 23 and name hg*  ) 1.80 0.00 4.20
assign (resid 20 and name hb#  ) (resid 40 and name hb#  ) 1.80 0.00 3.20
assign (resid 20 and name hd1  ) (resid 40 and name ha   ) 1.80 0.00 3.20
assign (resid 20 and name hd2  ) (resid 40 and name ha   ) 1.80 0.00 3.20
assign (resid 20 and name hd1  ) (resid 40 and name hb#  ) 1.80 0.00 4.20
assign (resid 20 and name hd2  ) (resid 40 and name hb#  ) 1.80 0.00 4.20
assign (resid 20 and name he#  ) (resid 40 and name hb#  ) 1.80 0.00 3.20
!P21
assign (resid 21 and name ha   ) (resid 21 and name hd#  ) 1.80 0.00 4.20
assign (resid 21 and name hb#  ) (resid 22 and name ha#  ) 1.80 0.00 4.20
!G22
!V23
assign (resid 23 and name ha   ) (resid 23 and name hg2# ) 1.80 0.00 3.20
assign (resid 23 and name hg*  ) (resid 24 and name ha   ) 1.80 0.00 4.20
assign (resid 23 and name hg*  ) (resid 25 and name hb   ) 1.80 0.00 4.20
assign (resid 23 and name hg*  ) (resid 25 and name hg*  ) 1.80 0.00 3.20
assign (resid 23 and name ha   ) (resid 36 and name hd1# ) 1.80 0.00 4.20
assign (resid 23 and name hg*  ) (resid 36 and name hb#  ) 1.80 0.00 3.20
assign (resid 23 and name hg*  ) (resid 37 and name ha   ) 1.80 0.00 3.20
assign (resid 23 and name hg*  ) (resid 37 and name hb#  ) 1.80 0.00 4.20
!H24
assign (resid 24 and name ha   ) (resid 24 and name hd2  ) 1.80 0.00 4.20
assign (resid 24 and name ha   ) (resid 26 and name hb#  ) 1.80 0.00 4.20
assign (resid 24 and name hb#  ) (resid 31 and name ha   ) 1.80 0.00 4.20
!V25
assign (resid 25 and name hg*  ) (resid 26 and name ha   ) 1.80 0.00 4.20
assign (resid 25 and name ha   ) (resid 31 and name ha   ) 1.80 0.00 3.20
assign (resid 25 and name ha   ) (resid 31 and name hb#  ) 1.80 0.00 2.20
assign (resid 25 and name hb   ) (resid 31 and name hb#  ) 1.80 0.00 4.20
assign (resid 25 and name hg1# ) (resid 31 and name hb#  ) 1.80 0.00 4.20
assign (resid 25 and name hg2# ) (resid 31 and name hb#  ) 1.80 0.00 4.20
assign (resid 25 and name hg*  ) (resid 37 and name ha   ) 1.80 0.00 4.20
assign (resid 25 and name hg1# ) (resid 37 and name hb#  ) 1.80 0.00 4.20
assign (resid 25 and name hg2# ) (resid 37 and name hb#  ) 1.80 0.00 4.20
assign (resid 25 and name hg*  ) (resid 37 and name hb#  ) 1.80 0.00 3.20
!S26
!D27
assign (resid 27 and name ha   ) (resid 28 and name hg   ) 1.80 0.00 4.20
assign (resid 27 and name hb#  ) (resid 29 and name hb#  ) 1.80 0.00 4.20
!L28
assign (resid 28 and name ha   ) (resid 28 and name hd1# ) 1.80 0.00 4.20
assign (resid 28 and name ha   ) (resid 28 and name hd2# ) 1.80 0.00 4.20
assign (resid 28 and name ha   ) (resid 32 and name hd1  ) 1.80 0.00 2.20
assign (resid 28 and name hb#  ) (resid 92 and name ha   ) 1.80 0.00 3.20
assign (resid 28 and name hb#  ) (resid 92 and name hb#  ) 1.80 0.00 3.20
assign (resid 28 and name hd*  ) (resid 96 and name ha   ) 1.80 0.00 4.20
assign (resid 28 and name ha   ) (resid 99 and name hd*  ) 1.80 0.00 4.20
assign (resid 28 and name hd*  ) (resid 99 and name hd1# ) 1.80 0.00 4.20
assign (resid 28 and name hd*  ) (resid 99 and name hd2# ) 1.80 0.00 4.20
!S29
assign (resid 29 and name ha   ) (resid 32 and name hb#  ) 1.80 0.00 2.20
assign (resid 29 and name ha   ) (resid 32 and name hd1  ) 1.80 0.00 3.20
assign (resid 29 and name ha   ) (resid 89 and name ha#  ) 1.80 0.00 3.20
assign (resid 29 and name ha   ) (resid 95 and name hd*  ) 1.80 0.00 4.20
assign (resid 29 and name hb#  ) (resid 89 and name ha#  ) 1.80 0.00 2.20
assign (resid 29 and name hb#  ) (resid 95 and name hd*  ) 1.80 0.00 4.20
!S30
assign (resid 30 and name ha   ) (resid 33 and name hb#  ) 1.80 0.00 2.20
assign (resid 30 and name hb#  ) (resid 33 and name hb#  ) 1.80 0.00 4.20
!S31
assign (resid 31 and name ha   ) (resid 33 and name hb#  ) 1.80 0.00 4.20
!W32
assign (resid 32 and name ha   ) (resid 32 and name he3  ) 1.80 0.00 3.20
assign (resid 32 and name hb1  ) (resid 95 and name hd*  ) 1.80 0.00 3.20
assign (resid 32 and name hb2  ) (resid 95 and name hd*  ) 1.80 0.00 3.20
assign (resid 32 and name hh2  ) (resid 41 and name hd*  ) 1.80 0.00 3.20
assign (resid 32 and name ha   ) (resid 37 and name hb#  ) 1.80 0.00 3.20
assign (resid 32 and name hb#  ) (resid 86 and name hg*  ) 1.80 0.00 4.20
assign (resid 32 and name he3  ) (resid 38 and name hd*  ) 1.80 0.00 4.20
assign (resid 32 and name hz3  ) (resid 38 and name hd*  ) 1.80 0.00 4.20
!A33
assign (resid 33 and name ha   ) (resid 64 and name hg#  ) 1.80 0.00 4.20
assign (resid 33 and name ha   ) (resid 86 and name hg*  ) 1.80 0.00 3.20
assign (resid 33 and name ha   ) (resid 87 and name ha   ) 1.80 0.00 2.20
assign (resid 33 and name hb#  ) (resid 87 and name ha   ) 1.80 0.00 3.20
assign (resid 33 and name hb#  ) (resid 87 and name hg*  ) 1.80 0.00 4.20
!D34
assign (resid 34 and name ha   ) (resid 57 and name ha#  ) 1.80 0.00 4.20
assign (resid 34 and name hb#  ) (resid 57 and name ha#  ) 1.80 0.00 2.20
assign (resid 34 and name ha   ) (resid 60 and name ha   ) 1.80 0.00 2.20
assign (resid 34 and name ha   ) (resid 60 and name hb#  ) 1.80 0.00 2.20
assign (resid 34 and name hb1  ) (resid 60 and name ha   ) 1.80 0.00 4.20
assign (resid 34 and name hb2  ) (resid 60 and name ha   ) 1.80 0.00 4.20
assign (resid 34 and name hb#  ) (resid 60 and name ha   ) 1.80 0.00 3.20
assign (resid 34 and name hb1  ) (resid 60 and name hb#  ) 1.80 0.00 4.20
assign (resid 34 and name hb2  ) (resid 60 and name hb#  ) 1.80 0.00 4.20
!G35
assign (resid 35 and name ha#  ) (resid 38 and name hd*  ) 1.80 0.00 4.20
assign (resid 35 and name ha#  ) (resid 63 and name hb#  ) 1.80 0.00 3.20
assign (resid 35 and name ha#  ) (resid 64 and name ha   ) 1.80 0.00 3.20
assign (resid 35 and name ha#  ) (resid 64 and name hg2# ) 1.80 0.00 3.20
!L36
assign (resid 36 and name ha   ) (resid 36 and name hd*  ) 1.80 0.00 3.20
assign (resid 36 and name hb#  ) (resid 36 and name hd*  ) 1.80 0.00 2.20
assign (resid 36 and name ha   ) (resid 39 and name hb#  ) 1.80 0.00 2.20
assign (resid 36 and name hd1# ) (resid 39 and name hb#  ) 1.80 0.00 4.20
assign (resid 36 and name hd*  ) (resid 52 and name hb#  ) 1.80 0.00 4.20
assign (resid 36 and name hd1# ) (resid 55 and name hb#  ) 1.80 0.00 4.20
assign (resid 36 and name hd2# ) (resid 55 and name hb#  ) 1.80 0.00 4.20
assign (resid 36 and name hd*  ) (resid 57 and name ha#  ) 1.80 0.00 3.20
assign (resid 36 and name hd*  ) (resid 63 and name hb#  ) 1.80 0.00 3.20
!A37
assign (resid 37 and name hb#  ) (resid 40 and name hb#  ) 1.80 0.00 4.20
assign (resid 37 and name ha   ) (resid 40 and name hb#  ) 1.80 0.00 2.20
!L38
assign (resid 38 and name ha   ) (resid 38 and name hd*  ) 1.80 0.00 3.20
assign (resid 38 and name hb#  ) (resid 38 and name hd1# ) 1.80 0.00 3.20
assign (resid 38 and name hb#  ) (resid 38 and name hd2# ) 1.80 0.00 3.20
assign (resid 38 and name ha   ) (resid 41 and name hb#  ) 1.80 0.00 2.20
assign (resid 38 and name ha   ) (resid 41 and name hd1# ) 1.80 0.00 4.20
assign (resid 38 and name ha   ) (resid 41 and name hd2# ) 1.80 0.00 4.20
assign (resid 38 and name hd*  ) (resid 41 and name hd*  ) 1.80 0.00 4.20
assign (resid 38 and name hd*  ) (resid 64 and name ha   ) 1.80 0.00 4.20
assign (resid 38 and name hb1  ) (resid 67 and name hb#  ) 1.80 0.00 3.20
assign (resid 38 and name hb2  ) (resid 67 and name hb#  ) 1.80 0.00 3.20
assign (resid 38 and name hb#  ) (resid 67 and name hb#  ) 1.80 0.00 3.20
assign (resid 38 and name hd*  ) (resid 68 and name hd*  ) 1.80 0.00 4.20
assign (resid 38 and name hd*  ) (resid 98 and name hd#  ) 1.80 0.00 4.20
assign (resid 38 and name hd*  ) (resid 98 and name he#  ) 1.80 0.00 4.20
assign (resid 38 and name hd*  ) (resid 99 and name hd*  ) 1.80 0.00 4.20
!C39
assign (resid 39 and name ha   ) (resid 42 and name hb   ) 1.80 0.00 2.20
assign (resid 39 and name ha   ) (resid 42 and name hg1# ) 1.80 0.00 3.20
assign (resid 39 and name ha   ) (resid 42 and name hg2# ) 1.80 0.00 3.20
assign (resid 39 and name ha   ) (resid 42 and name hg*  ) 1.80 0.00 2.20
assign (resid 39 and name ha   ) (resid 50 and name hd*  ) 1.80 0.00 4.20
assign (resid 39 and name ha   ) (resid 52 and name hd#  ) 1.80 0.00 4.20
assign (resid 39 and name hb1  ) (resid 55 and name hd*  ) 1.80 0.00 4.20
assign (resid 39 and name hb2  ) (resid 55 and name hd*  ) 1.80 0.00 4.20
assign (resid 39 and name ha   ) (resid 67 and name ha   ) 1.80 0.00 3.20
assign (resid 39 and name ha   ) (resid 67 and name hb#  ) 1.80 0.00 3.20
!A40
assign (resid 40 and name hb#  ) (resid 41 and name hd*  ) 1.80 0.00 4.20
assign (resid 40 and name ha   ) (resid 43 and name hb#  ) 1.80 0.00 2.20
assign (resid 40 and name ha   ) (resid 43 and name hd#  ) 1.80 0.00 4.20
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!L41
assign (resid 41 and name ha   ) (resid 41 and name hd*  ) 1.80 0.00 3.20
assign (resid 41 and name hb1  ) (resid 41 and name hd1# ) 1.80 0.00 3.20
assign (resid 41 and name hb2  ) (resid 41 and name hd1# ) 1.80 0.00 3.20
assign (resid 41 and name hb#  ) (resid 41 and name hd2# ) 1.80 0.00 3.20
assign (resid 41 and name ha   ) (resid 44 and name hb1  ) 1.80 0.00 2.20
assign (resid 41 and name ha   ) (resid 44 and name hb2  ) 1.80 0.00 2.20
assign (resid 41 and name ha   ) (resid 45 and name hd*  ) 1.80 0.00 4.20
assign (resid 41 and name hd*  ) (resid 99 and name hd*  ) 1.80 0.00 4.20
assign (resid 41 and name hb#  ) (resid 102 and name ha  ) 1.80 0.00 4.20
assign (resid 41 and name hd*  ) (resid 102 and name ha  ) 1.80 0.00 4.20
assign (resid 41 and name hd*  ) (resid 102 and name hb# ) 1.80 0.00 4.20
assign (resid 41 and name hd*  ) (resid 102 and name hd# ) 1.80 0.00 3.20
!V42
assign (resid 42 and name ha   ) (resid 45 and name hb#  ) 1.80 0.00 2.20
assign (resid 42 and name ha   ) (resid 45 and name hd*  ) 1.80 0.00 4.20
assign (resid 42 and name hb   ) (resid 50 and name hd*  ) 1.80 0.00 3.20
assign (resid 42 and name hg1# ) (resid 67 and name hb#  ) 1.80 0.00 4.20
assign (resid 42 and name hg2# ) (resid 67 and name hb#  ) 1.80 0.00 4.20
assign (resid 42 and name hg1# ) (resid 67 and name ha   ) 1.80 0.00 4.20
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assign (resid 42 and name hb   ) (resid 70 and name hg*  ) 1.80 0.00 4.20
assign (resid 42 and name hg*  ) (resid 70 and name hb   ) 1.80 0.00 4.20
assign (resid 42 and name hg*  ) (resid 70 and name hg*  ) 1.80 0.00 4.20
assign (resid 42 and name hg*  ) (resid 71 and name hb#  ) 1.80 0.00 3.20
assign (resid 42 and name hg*  ) (resid 102 and name hd# ) 1.80 0.00 4.20
assign (resid 42 and name hg*  ) (resid 102 and name he# ) 1.80 0.00 4.20
assign (resid 42 and name hg*  ) (resid 102 and name hz  ) 1.80 0.00 4.20
assign (resid 42 and name hg*  ) (resid 106 and name hz  ) 1.80 0.00 4.20
!Y43
assign (resid 43 and name ha   ) (resid 43 and name hd#  ) 1.80 0.00 2.20
assign (resid 43 and name ha   ) (resid 43 and name he#  ) 1.80 0.00 4.20
assign (resid 43 and name ha   ) (resid 47 and name ha   ) 1.80 0.00 2.20
assign (resid 43 and name hb#  ) (resid 43 and name hd#  ) 1.80 0.00 3.20
assign (resid 43 and name hb#  ) (resid 43 and name he#  ) 1.80 0.00 4.20
assign (resid 43 and name hd#  ) (resid 47 and name ha   ) 1.80 0.00 2.20
assign (resid 43 and name he#  ) (resid 47 and name ha   ) 1.80 0.00 3.20
assign (resid 43 and name ha   ) (resid 50 and name hb#  ) 1.80 0.00 3.20
assign (resid 43 and name hd#  ) (resid 50 and name ha   ) 1.80 0.00 4.20
assign (resid 43 and name hd#  ) (resid 50 and name hb#  ) 1.80 0.00 2.20
assign (resid 43 and name hd#  ) (resid 51 and name ha   ) 1.80 0.00 4.20
assign (resid 43 and name he#  ) (resid 51 and name ha   ) 1.80 0.00 3.20
assign (resid 43 and name he#  ) (resid 52 and name hg1  ) 1.80 0.00 3.20
assign (resid 43 and name he#  ) (resid 52 and name hg2  ) 1.80 0.00 3.20
assign (resid 43 and name he#  ) (resid 52 and name hd1  ) 1.80 0.00 3.20
assign (resid 43 and name he#  ) (resid 52 and name hd2  ) 1.80 0.00 3.20
!R44
assign (resid 44 and name ha   ) (resid 44 and name hd#  ) 1.80 0.00 3.20
assign (resid 44 and name ha   ) (resid 47 and name ha   ) 1.80 0.00 4.20
assign (resid 44 and name ha   ) (resid 47 and name hb#  ) 1.80 0.00 4.20
!L45
assign (resid 45 and name ha   ) (resid 45 and name hd1# ) 1.80 0.00 4.20
assign (resid 45 and name ha   ) (resid 45 and name hd2# ) 1.80 0.00 2.20
assign (resid 45 and name hb#  ) (resid 45 and name hd*  ) 1.80 0.00 3.20
assign (resid 45 and name hb#  ) (resid 106 and name hd# ) 1.80 0.00 3.20
assign (resid 45 and name hb#  ) (resid 106 and name he# ) 1.80 0.00 3.20
assign (resid 45 and name hd*  ) (resid 106 and name ha  ) 1.80 0.00 4.20
assign (resid 45 and name hd*  ) (resid 106 and name hb# ) 1.80 0.00 4.20
assign (resid 45 and name hd*  ) (resid 106 and name hd1 ) 1.80 0.00 4.20
assign (resid 45 and name hd*  ) (resid 106 and name hd2 ) 1.80 0.00 4.20
assign (resid 45 and name hd*  ) (resid 106 and name he# ) 1.80 0.00 4.20
!Q46
assign (resid 46 and name ha   ) (resid 47 and name hg#  ) 1.80 0.00 3.20
assign (resid 46 and name ha   ) (resid 47 and name hd1  ) 1.80 0.00 1.20
assign (resid 46 and name ha   ) (resid 47 and name hd2  ) 1.80 0.00 1.20
assign (resid 46 and name ha   ) (resid 49 and name hb#  ) 1.80 0.00 4.20
assign (resid 46 and name hb#  ) (resid 48 and name ha#  ) 1.80 0.00 3.20
assign (resid 46 and name hb#  ) (resid 49 and name ha   ) 1.80 0.00 4.20
assign (resid 46 and name hb#  ) (resid 49 and name hb#  ) 1.80 0.00 3.20
assign (resid 46 and name hb#  ) (resid 49 and name hd*  ) 1.80 0.00 3.20
assign (resid 46 and name ha   ) (resid 49 and name hd*  ) 1.80 0.00 4.20
assign (resid 46 and name hb#  ) (resid 75 and name ha   ) 1.80 0.00 4.20
!P47
assign (resid 47 and name ha   ) (resid 47 and name hg#  ) 1.80 0.00 4.20
assign (resid 47 and name hb#  ) (resid 48 and name ha#  ) 1.80 0.00 3.20
assign (resid 47 and name hd#  ) (resid 48 and name ha#  ) 1.80 0.00 3.20
!G48
!L49
assign (resid 49 and name hb#  ) (resid 49 and name hd*  ) 1.80 0.00 3.20
assign (resid 49 and name hd*  ) (resid 51 and name hg#  ) 1.80 0.00 4.20
assign (resid 49 and name hd*  ) (resid 70 and name hg1# ) 1.80 0.00 4.20
assign (resid 49 and name hd*  ) (resid 70 and name hg2# ) 1.80 0.00 4.20
assign (resid 49 and name hd*  ) (resid 74 and name ha   ) 1.80 0.00 4.20
assign (resid 49 and name hd*  ) (resid 74 and name hg#  ) 1.80 0.00 3.20
assign (resid 49 and name hd*  ) (resid 74 and name hb#  ) 1.80 0.00 3.20
!L50
assign (resid 50 and name ha   ) (resid 55 and name hd*  ) 1.80 0.00 4.20
assign (resid 50 and name ha   ) (resid 66 and name hz3  ) 1.80 0.00 2.20
assign (resid 50 and name hb#  ) (resid 50 and name hd2# ) 1.80 0.00 3.20
assign (resid 50 and name hb#  ) (resid 51 and name hb#  ) 1.80 0.00 3.20
assign (resid 50 and name hd*  ) (resid 55 and name hd*  ) 1.80 0.00 3.20
!E51
assign (resid 51 and name ha   ) (resid 52 and name hd#  ) 1.80 0.00 2.20
assign (resid 51 and name ha   ) (resid 52 and name hg#  ) 1.80 0.00 3.20
assign (resid 51 and name ha   ) (resid 54 and name hb#  ) 1.80 0.00 3.20
!P52
assign (resid 52 and name ha   ) (resid 52 and name hg# ) 1.80 0.00 2.20
assign (resid 52 and name ha   ) (resid 52 and name hd#  ) 1.80 0.00 3.20
assign (resid 52 and name ha   ) (resid 55 and name hb#  ) 1.80 0.00 2.20
assign (resid 52 and name ha   ) (resid 55 and name hd*  ) 1.80 0.00 4.20
assign (resid 52 and name hb#  ) (resid 55 and name hb#  ) 1.80 0.00 4.20
assign (resid 52 and name hb#  ) (resid 55 and name hd*  ) 1.80 0.00 4.20
!S53
!E54
!L55
assign (resid 55 and name ha   ) (resid 55 and name hd*  ) 1.80 0.00 3.20
assign (resid 55 and name hb#  ) (resid 63 and name hb#  ) 1.80 0.00 2.20
assign (resid 55 and name hd*  ) (resid 66 and name hb#  ) 1.80 0.00 4.20
assign (resid 55 and name hd*  ) (resid 62 and name hb#  ) 1.80 0.00 4.20
assign (resid 55 and name hd1# ) (resid 63 and name ha   ) 1.80 0.00 3.20
assign (resid 55 and name hd2# ) (resid 63 and name ha   ) 1.80 0.00 3.20
assign (resid 55 and name hd1# ) (resid 63 and name hb#  ) 1.80 0.00 4.20
assign (resid 55 and name hd2# ) (resid 63 and name hb#  ) 1.80 0.00 4.20
!Q56
assign (resid 56 and name ha   ) (resid 56 and name hg#  ) 1.80 0.00 2.20
assign (resid 56 and name hb#  ) (resid 58 and name hd*  ) 1.80 0.00 3.20
!G57
!L58
assign (resid 58 and name ha   ) (resid 58 and name hd*  ) 1.80 0.00 2.20
assign (resid 58 and name hb#  ) (resid 62 and name hb#  ) 1.80 0.00 2.20
assign (resid 58 and name hd*  ) (resid 62 and name hb#  ) 1.80 0.00 4.20
assign (resid 58 and name hd*  ) (resid 62 and name hg1  ) 1.80 0.00 4.20
assign (resid 58 and name hd*  ) (resid 62 and name hg2  ) 1.80 0.00 4.20
!G59
!A60
assign (resid 60 and name ha   ) (resid 63 and name hb#  ) 1.80 0.00 2.20
assign (resid 60 and name ha   ) (resid 87 and name hg*  ) 1.80 0.00 3.20
assign (resid 60 and name hb#  ) (resid 87 and name ha   ) 1.80 0.00 3.20
assign (resid 60 and name hb#  ) (resid 87 and name hg*  ) 1.80 0.00 2.20
!L61
assign (resid 61 and name hb#  ) (resid 61 and name hd*  ) 1.80 0.00 2.20
assign (resid 61 and name hd*  ) (resid 62 and name ha   ) 1.80 0.00 4.20
assign (resid 61 and name ha   ) (resid 64 and name hb   ) 1.80 0.00 2.20
assign (resid 61 and name hd*  ) (resid 64 and name hb   ) 1.80 0.00 4.20
assign (resid 61 and name ha   ) (resid 83 and name hb#  ) 1.80 0.00 2.20
assign (resid 61 and name hd*  ) (resid 83 and name hb#  ) 1.80 0.00 3.20
assign (resid 61 and name hd*  ) (resid 84 and name ha   ) 1.80 0.00 3.20
assign (resid 61 and name hd*  ) (resid 84 and name hg#  ) 1.80 0.00 4.20
!E62
assign (resid 62 and name ha   ) (resid 62 and name hg#  ) 1.80 0.00 3.20
assign (resid 62 and name hb#  ) (resid 63 and name hb#  ) 1.80 0.00 4.20
assign (resid 62 and name ha   ) (resid 65 and name hb#  ) 1.80 0.00 2.20
assign (resid 62 and name hg#  ) (resid 65 and name hb#  ) 1.80 0.00 4.20
!A63
assign (resid 63 and name ha   ) (resid 66 and name hb1  ) 1.80 0.00 3.20
assign (resid 63 and name ha   ) (resid 66 and name hb2  ) 1.80 0.00 3.20
assign (resid 63 and name ha   ) (resid 66 and name hb#  ) 1.80 0.00 2.20
!T64
assign (resid 64 and name ha   ) (resid 67 and name hb#  ) 1.80 0.00 2.20
assign (resid 64 and name hb   ) (resid 83 and name hb#  ) 1.80 0.00 3.20
assign (resid 64 and name hg2# ) (resid 83 and name ha   ) 1.80 0.00 2.20
assign (resid 64 and name hg2# ) (resid 86 and name hb#  ) 1.80 0.00 4.20
assign (resid 64 and name hg2# ) (resid 86 and name hg1# ) 1.80 0.00 3.20
assign (resid 64 and name hg2# ) (resid 86 and name hg2# ) 1.80 0.00 2.20
!A65
assign (resid 65 and name ha   ) (resid 68 and name hb#  ) 1.80 0.00 2.20
!W66
assign (resid 66 and name ha   ) (resid 66 and name hd1  ) 1.80 0.00 3.20
assign (resid 66 and name ha   ) (resid 69 and name hb#  ) 1.80 0.00 2.20
assign (resid 66 and name ha   ) (resid 69 and name hg#  ) 1.80 0.00 4.20
assign (resid 66 and name ha   ) (resid 69 and name hd#  ) 1.80 0.00 4.20
assign (resid 66 and name ha   ) (resid 70 and name hg*  ) 1.80 0.00 4.20
assign (resid 66 and name hd1  ) (resid 70 and name hg*  ) 1.80 0.00 4.20
assign (resid 66 and name hz2  ) (resid 70 and name hg*  ) 1.80 0.00 4.20
assign (resid 66 and name he3  ) (resid 67 and name ha   ) 1.80 0.00 3.20
!A67
assign (resid 67 and name hb#  ) (resid 67 and name ha   ) 1.80 0.00 3.20
assign (resid 67 and name ha   ) (resid 70 and name hb   ) 1.80 0.00 3.20
assign (resid 67 and name ha   ) (resid 70 and name hg1# ) 1.80 0.00 4.20
assign (resid 67 and name ha   ) (resid 70 and name hg2# ) 1.80 0.00 4.20
!L68
assign (resid 68 and name hb#  ) (resid 68 and name hd1# ) 1.80 0.00 2.20
assign (resid 68 and name hb#  ) (resid 68 and name hd2# ) 1.80 0.00 2.20
assign (resid 68 and name ha   ) (resid 71 and name hb#  ) 1.80 0.00 3.20
assign (resid 68 and name hd*  ) (resid 71 and name hb#  ) 1.80 0.00 4.20
assign (resid 68 and name ha   ) (resid 79 and name ha   ) 1.80 0.00 4.20
assign (resid 68 and name hb#  ) (resid 79 and name hg#  ) 1.80 0.00 4.20
assign (resid 68 and name hd1# ) (resid 79 and name hb#  ) 1.80 0.00 4.20
assign (resid 68 and name hd2# ) (resid 79 and name hb#  ) 1.80 0.00 4.20
assign (resid 68 and name hd*  ) (resid 79 and name hb#  ) 1.80 0.00 4.20
assign (resid 68 and name hd*  ) (resid 79 and name ha   ) 1.80 0.00 4.20
assign (resid 68 and name hd*  ) (resid 82 and name ha   ) 1.80 0.00 4.20
assign (resid 68 and name hd*  ) (resid 98 and name hd#  ) 1.80 0.00 4.20
assign (resid 68 and name hd*  ) (resid 98 and name he#  ) 1.80 0.00 4.20
assign (resid 68 and name ha   ) (resid 102 and name hz  ) 1.80 0.00 4.20
!K69
assign (resid 69 and name ha   ) (resid 69 and name hd#  ) 1.80 0.00 4.20
assign (resid 69 and name hb#  ) (resid 69 and name hd#  ) 1.80 0.00 3.20
assign (resid 69 and name hb#  ) (resid 69 and name hg2  ) 1.80 0.00 4.20
assign (resid 69 and name hb#  ) (resid 70 and name ha   ) 1.80 0.00 4.20
assign (resid 69 and name hb#  ) (resid 70 and name hg*  ) 1.80 0.00 4.20
assign (resid 69 and name ha   ) (resid 72 and name hb#  ) 1.80 0.00 3.20
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!V70
assign (resid 70 and name ha   ) (resid 70 and name hg*  ) 1.80 0.00 3.20
assign (resid 70 and name hg*  ) (resid 71 and name ha   ) 1.80 0.00 4.20
assign (resid 70 and name ha   ) (resid 73 and name ha   ) 1.80 0.00 3.20
assign (resid 70 and name ha   ) (resid 73 and name hb#  ) 1.80 0.00 3.20
assign (resid 70 and name ha   ) (resid 74 and name hg#  ) 1.80 0.00 4.20
assign (resid 70 and name hb#  ) (resid 74 and name hb#  ) 1.80 0.00 4.20
assign (resid 70 and name hg1# ) (resid 74 and name hg#  ) 1.80 0.00 4.20
assign (resid 70 and name hg2# ) (resid 74 and name hg#  ) 1.80 0.00 4.20
!A71
assign (resid 71 and name ha   ) (resid 74 and name hb#  ) 1.80 0.00 3.20
assign (resid 71 and name ha   ) (resid 75 and name hb#  ) 1.80 0.00 3.20
assign (resid 71 and name ha   ) (resid 75 and name hd*  ) 1.80 0.00 4.20
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assign (resid 71 and name hb#  ) (resid 77 and name hb   ) 1.80 0.00 4.20
assign (resid 71 and name hb#  ) (resid 77 and name hg2# ) 1.80 0.00 4.20
assign (resid 71 and name hb#  ) (resid 79 and name hg#  ) 1.80 0.00 4.20
assign (resid 71 and name hb#  ) (resid 102 and name hd# ) 1.80 0.00 3.20
assign (resid 71 and name hb#  ) (resid 102 and name hz  ) 1.80 0.00 3.20
!E72
assign (resid 72 and name ha   ) (resid 75 and name hb#  ) 1.80 0.00 3.20
assign (resid 72 and name hb#  ) (resid 78 and name ha   ) 1.80 0.00 3.20
assign (resid 72 and name ha   ) (resid 79 and name hg#  ) 1.80 0.00 4.20
assign (resid 72 and name hb#  ) (resid 79 and name ha   ) 1.80 0.00 4.20
assign (resid 72 and name hg#  ) (resid 73 and name ha   ) 1.80 0.00 3.20
!N73
assign (resid 73 and name ha   ) (resid 74 and name hb#  ) 1.80 0.00 4.20
assign (resid 73 and name hb#  ) (resid 74 and name hg#  ) 1.80 0.00 4.20
!E74
!L75
assign (resid 75 and name hb1  ) (resid 75 and name hd*  ) 1.80 0.00 2.20
assign (resid 75 and name hb2  ) (resid 75 and name hd*  ) 1.80 0.00 2.20
assign (resid 75 and name hd*  ) (resid 75 and name hg   ) 1.80 0.00 4.20
assign (resid 75 and name hb2  ) (resid 77 and name hg#  ) 1.80 0.00 4.20
assign (resid 75 and name hd*  ) (resid 77 and name hg#  ) 1.80 0.00 4.20
assign (resid 75 and name hd1# ) (resid 77 and name hd#  ) 1.80 0.00 3.20
assign (resid 75 and name hd2# ) (resid 77 and name hd#  ) 1.80 0.00 4.20
assign (resid 75 and name hd*  ) (resid 102 and name hz  ) 1.80 0.00 4.20
assign (resid 75 and name hd*  ) (resid 106 and name ha  ) 1.80 0.00 4.20
assign (resid 75 and name hd*  ) (resid 106 and name hz  ) 1.80 0.00 3.20
!G76
!I77
assign (resid 77 and name ha   ) (resid 77 and name hd#  ) 1.80 0.00 3.20
assign (resid 77 and name hb#  ) (resid 77 and name hd#  ) 1.80 0.00 4.20
assign (resid 77 and name hg11 ) (resid 77 and name hd#  ) 1.80 0.00 3.20
assign (resid 77 and name hg12 ) (resid 77 and name hd#  ) 1.80 0.00 3.20
assign (resid 77 and name hg2# ) (resid 77 and name hd#  ) 1.80 0.00 4.20
assign (resid 77 and name hg2# ) (resid 79 and name ha   ) 1.80 0.00 4.20
assign (resid 77 and name hg2# ) (resid 98 and name hd#  ) 1.80 0.00 4.20
assign (resid 77 and name hg2# ) (resid 98 and name he1  ) 1.80 0.00 3.20
assign (resid 77 and name hg2# ) (resid 98 and name he2  ) 1.80 0.00 3.20
assign (resid 77 and name hd1# ) (resid 102 and name ha  ) 1.80 0.00 3.20
assign (resid 77 and name hg2# ) (resid 101 and name hb1 ) 1.80 0.00 4.20
assign (resid 77 and name hg2# ) (resid 101 and name hb2 ) 1.80 0.00 4.20
assign (resid 77 and name hd1# ) (resid 102 and name hd# ) 1.80 0.00 3.20
assign (resid 77 and name hd1# ) (resid 102 and name he# ) 1.80 0.00 3.20
assign (resid 77 and name hd1# ) (resid 105 and name hb# ) 1.80 0.00 2.20
assign (resid 77 and name hg1# ) (resid 105 and name hb# ) 1.80 0.00 4.20
!T78
assign (resid 78 and name ha   ) (resid 79 and name hg#  ) 1.80 0.00 3.20
assign (resid 78 and name ha   ) (resid 79 and name hd#  ) 1.80 0.00 2.20
assign (resid 78 and name hb   ) (resid 79 and name hd#  ) 1.80 0.00 3.20
assign (resid 78 and name hg2# ) (resid 79 and name hb#  ) 1.80 0.00 4.20
assign (resid 78 and name hg2# ) (resid 79 and name hg#  ) 1.80 0.00 4.20
assign (resid 78 and name hg2# ) (resid 79 and name hd#  ) 1.80 0.00 4.20
assign (resid 78 and name hb#  ) (resid 80 and name hg*  ) 1.80 0.00 4.20
assign (resid 78 and name hg2# ) (resid 80 and name hg*  ) 1.80 0.00 3.20
!P79
assign (resid 79 and name hb#  ) (resid 79 and name hd#  ) 1.80 0.00 3.20
assign (resid 79 and name ha   ) (resid 80 and name hg*  ) 1.80 0.00 4.20
assign (resid 79 and name ha   ) (resid 98 and name hd#  ) 1.80 0.00 4.20
assign (resid 79 and name ha   ) (resid 98 and name he#  ) 1.80 0.00 3.20
!V80
assign (resid 80 and name ha   ) (resid 80 and name hg1# ) 1.80 0.00 3.20
assign (resid 80 and name ha   ) (resid 80 and name hg2# ) 1.80 0.00 3.20
assign (resid 80 and name hb   ) (resid 81 and name hg*  ) 1.80 0.00 4.20
assign (resid 80 and name hg*  ) (resid 81 and name ha   ) 1.80 0.00 4.20
assign (resid 80 and name hg*  ) (resid 81 and name hb   ) 1.80 0.00 4.20
assign (resid 80 and name hg*  ) (resid 81 and name hg*  ) 1.80 0.00 3.20
assign (resid 80 and name hg*  ) (resid 97 and name hb#  ) 1.80 0.00 3.20
assign (resid 80 and name hb   ) (resid 98 and name hb#  ) 1.80 0.00 4.20
assign (resid 80 and name hb   ) (resid 98 and name hd#  ) 1.80 0.00 4.20
assign (resid 80 and name hg*  ) (resid 98 and name hb#  ) 1.80 0.00 3.20
assign (resid 80 and name hg*  ) (resid 98 and name hd#  ) 1.80 0.00 2.20
assign (resid 80 and name hg*  ) (resid 98 and name he#  ) 1.80 0.00 2.20
!V81
assign (resid 81 and name hg*  ) (resid 83 and name hb#  ) 1.80 0.00 4.20
assign (resid 81 and name hg*  ) (resid 85 and name hb#  ) 1.80 0.00 4.20
assign (resid 81 and name hg*  ) (resid 86 and name hg*  ) 1.80 0.00 4.20
assign (resid 81 and name hg*  ) (resid 91 and name hb#  ) 1.80 0.00 4.20
assign (resid 81 and name hg*  ) (resid 94 and name ha#  ) 1.80 0.00 4.20
assign (resid 81 and name hg1# ) (resid 95 and name ha   ) 1.80 0.00 4.20
assign (resid 81 and name hg2# ) (resid 95 and name ha   ) 1.80 0.00 4.20
assign (resid 81 and name hg1# ) (resid 95 and name hd*  ) 1.80 0.00 4.20
assign (resid 81 and name hg2# ) (resid 95 and name hd*  ) 1.80 0.00 4.20
assign (resid 81 and name hg*  ) (resid 95 and name hd*  ) 1.80 0.00 3.20
assign (resid 81 and name hg*  ) (resid 98 and name hb#  ) 1.80 0.00 4.20
assign (resid 81 and name hg*  ) (resid 98 and name hd#  ) 1.80 0.00 4.20
!S82
assign (resid 82 and name ha   ) (resid 85 and name hb#  ) 1.80 0.00 3.20
!A83
assign (resid 83 and name ha   ) (resid 86 and name hb   ) 1.80 0.00 3.20
assign (resid 83 and name ha   ) (resid 86 and name hg1# ) 1.80 0.00 4.20
assign (resid 83 and name ha   ) (resid 86 and name hg2# ) 1.80 0.00 4.20
!Q84
assign (resid 84 and name ha   ) (resid 84 and name hg#  ) 1.80 0.00 3.20
assign (resid 84 and name hb#  ) (resid 85 and name hb#  ) 1.80 0.00 4.20
assign (resid 84 and name ha   ) (resid 87 and name hb   ) 1.80 0.00 2.20
assign (resid 84 and name ha   ) (resid 87 and name hg*  ) 1.80 0.00 3.20
!A85
assign (resid 85 and name ha   ) (resid 86 and name hg*  ) 1.80 0.00 4.20
assign (resid 85 and name ha   ) (resid 88 and name hb#  ) 1.80 0.00 3.20
assign (resid 85 and name ha   ) (resid 91 and name hb#  ) 1.80 0.00 4.20
!V86
assign (resid 86 and name ha   ) (resid 86 and name hg1# ) 1.80 0.00 3.20
assign (resid 86 and name ha   ) (resid 86 and name hg2# ) 1.80 0.00 3.20
!V87
assign (resid 87 and name hg*  ) (resid 88 and name ha   ) 1.80 0.00 3.20
assign (resid 87 and name hg*  ) (resid 88 and name hb#  ) 1.80 0.00 4.20
!A88
assign (resid 88 and name hb#  ) (resid 90 and name ha   ) 1.80 0.00 4.20
assign (resid 88 and name hb#  ) (resid 90 and name hb#  ) 1.80 0.00 3.20
!G89
!S90
assign (resid 90 and name ha   ) (resid 92 and name hd#  ) 1.80 0.00 4.20
!D91
assign (resid 91 and name ha   ) (resid 92 and name hd1  ) 1.80 0.00 2.20
assign (resid 91 and name ha   ) (resid 92 and name hd2  ) 1.80 0.00 2.20
assign (resid 91 and name ha   ) (resid 92 and name hd#  ) 1.80 0.00 1.20
assign (resid 91 and name ha   ) (resid 93 and name hb#  ) 1.80 0.00 4.20
assign (resid 91 and name hb#  ) (resid 93 and name hb#  ) 1.80 0.00 4.20
!P92
assign (resid 92 and name ha   ) (resid 92 and name hg#  ) 1.80 0.00 3.20
assign (resid 92 and name ha   ) (resid 92 and name hd1  ) 1.80 0.00 4.20
assign (resid 92 and name ha   ) (resid 95 and name hb1  ) 1.80 0.00 3.20
assign (resid 92 and name ha   ) (resid 95 and name hb2  ) 1.80 0.00 3.20
assign (resid 92 and name ha   ) (resid 95 and name hb#  ) 1.80 0.00 2.20
assign (resid 92 and name ha   ) (resid 95 and name hd1# ) 1.80 0.00 3.20
assign (resid 92 and name ha   ) (resid 95 and name hd2# ) 1.80 0.00 3.20
assign (resid 92 and name hg#  ) (resid 92 and name hb#  ) 1.80 0.00 4.20
!L93
assign (resid 93 and name hb#  ) (resid 93 and name hd*  ) 1.80 0.00 2.20
assign (resid 93 and name ha   ) (resid 96 and name hb   ) 1.80 0.00 3.20
assign (resid 93 and name ha   ) (resid 96 and name hg2# ) 1.80 0.00 4.20
assign (resid 93 and name ha   ) (resid 96 and name hd1# ) 1.80 0.00 4.20
!G94
assign (resid 94 and name ha#  ) (resid 97 and name hb#  ) 1.80 0.00 2.20
!L95
assign (resid 95 and name ha   ) (resid 95 and name hd*  ) 1.80 0.00 3.20
assign (resid 95 and name hb#  ) (resid 95 and name hd*  ) 1.80 0.00 2.20
assign (resid 95 and name ha   ) (resid 98 and name hb1  ) 1.80 0.00 3.20
assign (resid 95 and name ha   ) (resid 98 and name hb2  ) 1.80 0.00 3.20
assign (resid 95 and name ha   ) (resid 98 and name hb#  ) 1.80 0.00 2.20
assign (resid 95 and name hb#  ) (resid 99 and name hd*  ) 1.80 0.00 4.20
assign (resid 95 and name hd*  ) (resid 99 and name hd*  ) 1.80 0.00 4.20
!I96
assign (resid 96 and name ha   ) (resid 97 and name ha   ) 1.80 0.00 4.20
assign (resid 96 and name hg2# ) (resid 97 and name ha   ) 1.80 0.00 4.20
assign (resid 96 and name hg2# ) (resid 97 and name hb#  ) 1.80 0.00 4.20
assign (resid 96 and name ha   ) (resid 99 and name hb#  ) 1.80 0.00 2.20
assign (resid 96 and name hg2# ) (resid 99 and name hd*  ) 1.80 0.00 4.20
!A97
assign (resid 97 and name hb#  ) (resid 98 and name hb#  ) 1.80 0.00 4.20
assign (resid 97 and name ha   ) (resid 100 and name hb# ) 1.80 0.00 2.20
!Y98
assign (resid 98 and name ha   ) (resid 98 and name hd#  ) 1.80 0.00 2.20
assign (resid 98 and name ha   ) (resid 98 and name he#  ) 1.80 0.00 4.20
assign (resid 98 and name hb1  ) (resid 98 and name hd#  ) 1.80 0.00 4.20
assign (resid 98 and name hb2  ) (resid 98 and name hd#  ) 1.80 0.00 4.20
assign (resid 98 and name ha   ) (resid 101 and name hb1 ) 1.80 0.00 3.20
assign (resid 98 and name ha   ) (resid 101 and name hb2 ) 1.80 0.00 3.20
assign (resid 98 and name ha   ) (resid 101 and name hb# ) 1.80 0.00 2.20
!L99
assign (resid 99 and name ha   ) (resid 99 and name hd*  ) 1.80 0.00 4.20
assign (resid 99 and name ha   ) (resid 102 and name hb# ) 1.80 0.00 2.20
assign (resid 99 and name ha   ) (resid 102 and name hd# ) 1.80 0.00 3.20
!S100
assign (resid 100 and name ha   ) (resid 103 and name hb# ) 1.80 0.00 2.20
!H101
assign (resid 101 and name ha   ) (resid 101 and name hd2 ) 1.80 0.00 4.20
!F102
assign (resid 102 and name ha   ) (resid 102 and name he1 ) 1.80 0.00 4.20
assign (resid 102 and name ha   ) (resid 102 and name he2 ) 1.80 0.00 4.20
assign (resid 102 and name hb1  ) (resid 102 and name hd# ) 1.80 0.00 3.20
assign (resid 102 and name hb2  ) (resid 102 and name hd# ) 1.80 0.00 3.20
assign (resid 102 and name ha   ) (resid 106 and name hd1 ) 1.80 0.00 3.20
!H103
assign (resid 103 and name ha   ) (resid 103 and name hd2 ) 1.80 0.00 2.20
assign (resid 103 and name ha   ) (resid 106 and name hb# ) 1.80 0.00 2.20
assign (resid 103 and name ha   ) (resid 106 and name hd1 ) 1.80 0.00 4.20
!S104
assign (resid 104 and name ha   ) (resid 107 and name hb# ) 1.80 0.00 2.20
!A105
assign (resid 105 and name hb# ) (resid 106 and name hd1 ) 1.80 0.00 4.20
assign (resid 105 and name hb# ) (resid 107 and name hb# ) 1.80 0.00 4.20
!F106
assign (resid 106 and name ha  ) (resid 106 and name hd1 ) 1.80 0.00 2.20
assign (resid 106 and name ha  ) (resid 106 and name he# ) 1.80 0.00 4.20
assign (resid 106 and name ha  ) (resid 109 and name hb# ) 1.80 0.00 2.20
assign (resid 106 and name hb1 ) (resid 106 and name hd1 ) 1.80 0.00 3.20
assign (resid 106 and name hb1 ) (resid 106 and name hd2 ) 1.80 0.00 4.20
assign (resid 106 and name hb2 ) (resid 106 and name hd1 ) 1.80 0.00 3.20
assign (resid 106 and name hb2 ) (resid 106 and name hd2 ) 1.80 0.00 4.20
assign (resid 106 and name ha  ) (resid 107 and name ha  ) 1.80 0.00 4.20
assign (resid 106 and name hb# ) (resid 107 and name ha  ) 1.80 0.00 4.20
!K107
assign (resid 107 and name ha  ) (resid 107 and name hg1 ) 1.80 0.00 2.20
assign (resid 107 and name ha  ) (resid 107 and name hg2 ) 1.80 0.00 2.20
assign (resid 107 and name hb1 ) (resid 107 and name hd1 ) 1.80 0.00 3.20
assign (resid 107 and name hb2 ) (resid 107 and name hd2 ) 1.80 0.00 3.20
assign (resid 107 and name hg1 ) (resid 107 and name he# ) 1.80 0.00 3.20
assign (resid 107 and name hg2 ) (resid 107 and name he# ) 1.80 0.00 3.20
!S108
!M109
assign (resid 109 and name ha  ) (resid 109 and name hg# ) 1.80 0.00 3.20

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET  -8          1HT       MET  -8   7.698 -17.112   4.953
    2   2H    MET  -8          2HT       MET  -8   9.221 -17.592   5.581
    3   3H    MET  -8          3HT       MET  -8   8.470 -18.517   4.345
    4    HA   MET  -8           HA       MET  -8  10.179 -17.267   3.384
    5   1HB   MET  -8          2HB       MET  -8   8.868 -16.031   1.738
    6   2HB   MET  -8          1HB       MET  -8   8.067 -17.542   2.150
    7   1HG   MET  -8          2HG       MET  -8   6.483 -16.401   3.531
    8   2HG   MET  -8          1HG       MET  -8   7.352 -14.878   3.348
    9   1HE   MET  -8          1HE       MET  -8   6.223 -13.068   1.034
   10   2HE   MET  -8          2HE       MET  -8   7.083 -13.972  -0.210
   11   3HE   MET  -8          3HE       MET  -8   7.804 -13.764   1.385
   12    H    GLY  -7           H        GLY  -7  10.370 -14.809   2.472
   13   1HA   GLY  -7          2HA       GLY  -7  10.351 -12.490   3.091
   14   2HA   GLY  -7          1HA       GLY  -7  10.191 -12.980   4.771
   15    H    HIS  -6           H        HIS  -6  12.247 -11.568   2.733
   16    HA   HIS  -6           HA       HIS  -6  14.686 -12.918   3.503
   17   1HB   HIS  -6          2HB       HIS  -6  13.933 -11.244   1.390
   18   2HB   HIS  -6          1HB       HIS  -6  15.079 -10.297   2.330
   19    HD1  HIS  -6           1HD      HIS  -6  17.032 -10.443   0.733
   20    HD2  HIS  -6           2HD      HIS  -6  15.501 -14.165   1.770
   21    HE1  HIS  -6           1HE      HIS  -6  18.675 -12.120  -0.169
   22    HE2  HIS  -6           2HE      HIS  -6  17.683 -14.366   0.393
   23    H    HIS  -5           H        HIS  -5  13.431  -9.603   3.922
   24    HA   HIS  -5           HA       HIS  -5  14.397  -9.545   6.647
   25   1HB   HIS  -5          2HB       HIS  -5  15.752  -8.094   4.434
   26   2HB   HIS  -5          1HB       HIS  -5  15.530  -7.222   5.948
   27    HD1  HIS  -5           1HD      HIS  -5  18.076  -8.917   4.382
   28    HD2  HIS  -5           2HD      HIS  -5  16.380  -9.325   8.154
   29    HE1  HIS  -5           1HE      HIS  -5  19.818 -10.070   5.782
   30    HE2  HIS  -5           2HE      HIS  -5  18.809 -10.212   8.085
   31    H    HIS  -4           H        HIS  -4  13.311  -7.401   4.010
   32    HA   HIS  -4           HA       HIS  -4  10.855  -6.781   5.267
   33   1HB   HIS  -4          2HB       HIS  -4  13.134  -5.220   6.097
   34   2HB   HIS  -4          1HB       HIS  -4  11.968  -4.192   5.271
   35    HD1  HIS  -4           1HD      HIS  -4  12.547  -6.029   8.423
   36    HD2  HIS  -4           2HD      HIS  -4   9.410  -4.055   6.541
   37    HE1  HIS  -4           1HE      HIS  -4  10.807  -5.683  10.204
   38    HE2  HIS  -4           2HE      HIS  -4   8.892  -4.543   9.029
   39    H    HIS  -3           H        HIS  -3  13.262  -4.991   3.330
   40    HA   HIS  -3           HA       HIS  -3  11.343  -4.989   1.104
   41   1HB   HIS  -3          2HB       HIS  -3  12.707  -2.658   2.387
   42   2HB   HIS  -3          1HB       HIS  -3  12.416  -2.617   0.652
   43    HD1  HIS  -3           1HD      HIS  -3  10.515  -2.928   3.911
   44    HD2  HIS  -3           2HD      HIS  -3   9.869  -1.931  -0.071
   45    HE1  HIS  -3           1HE      HIS  -3   8.156  -2.068   3.808
   46    HE2  HIS  -3           2HE      HIS  -3   7.755  -1.559   1.372
   47    H    HIS  -2           H        HIS  -2  12.245  -4.950  -0.976
   48    HA   HIS  -2           HA       HIS  -2  15.140  -5.035  -1.243
   49   1HB   HIS  -2          2HB       HIS  -2  15.022  -7.187  -2.524
   50   2HB   HIS  -2          1HB       HIS  -2  14.690  -7.352  -0.803
   51    HD1  HIS  -2           1HD      HIS  -2  13.600  -8.858  -3.663
   52    HD2  HIS  -2           2HD      HIS  -2  11.540  -6.862  -0.658
   53    HE1  HIS  -2           1HE      HIS  -2  11.234  -9.699  -3.797
   54    HE2  HIS  -2           2HE      HIS  -2   9.986  -8.407  -2.031
   55    H    HIS  -1           H        HIS  -1  12.025  -5.459  -2.903
   56    HA   HIS  -1           HA       HIS  -1  13.047  -3.749  -5.063
   57   1HB   HIS  -1          2HB       HIS  -1  12.544  -6.473  -5.338
   58   2HB   HIS  -1          1HB       HIS  -1  11.107  -5.705  -6.005
   59    HD1  HIS  -1           1HD      HIS  -1  14.878  -5.258  -6.348
   60    HD2  HIS  -1           2HD      HIS  -1  11.405  -5.147  -8.625
   61    HE1  HIS  -1           1HE      HIS  -1  15.633  -4.812  -8.706
   62    HE2  HIS  -1           2HE      HIS  -1  13.507  -4.649 -10.047
   63    H    MET   0           H        MET   0  10.032  -5.322  -3.975
   64    HA   MET   0           HA       MET   0   8.711  -2.699  -4.163
   65   1HB   MET   0          2HB       MET   0   7.569  -5.360  -5.030
   66   2HB   MET   0          1HB       MET   0   6.671  -3.850  -4.965
   67   1HG   MET   0          2HG       MET   0   7.663  -3.013  -6.827
   68   2HG   MET   0          1HG       MET   0   9.169  -3.886  -6.551
   69   1HE   MET   0          1HE       MET   0   9.228  -6.901  -8.057
   70   2HE   MET   0          2HE       MET   0   7.977  -7.417  -6.929
   71   3HE   MET   0          3HE       MET   0   9.231  -6.297  -6.400
   72    H    GLY   1           H        GLY   1   7.056  -2.297  -2.669
   73   1HA   GLY   1          2HA       GLY   1   6.118  -4.226  -0.809
   74   2HA   GLY   1          1HA       GLY   1   7.413  -3.278  -0.096
   75    H    SER   2           H        SER   2   7.062  -0.785  -0.748
   76    HA   SER   2           HA       SER   2   4.653  -0.041   0.619
   77   1HB   SER   2          2HB       SER   2   7.073   1.095   0.526
   78   2HB   SER   2          1HB       SER   2   6.301   2.018  -0.764
   79    HG   SER   2           HG       SER   2   6.137   2.793   1.532
   80    H    ALA   3           H        ALA   3   5.951   0.695  -2.622
   81    HA   ALA   3           HA       ALA   3   3.587   1.926  -3.564
   82   1HB   ALA   3          1HB       ALA   3   5.932   0.722  -5.020
   83   2HB   ALA   3          2HB       ALA   3   5.644   2.423  -4.655
   84   3HB   ALA   3          3HB       ALA   3   4.622   1.586  -5.824
   85    H    GLY   4           H        GLY   4   4.656  -1.394  -3.433
   86   1HA   GLY   4          2HA       GLY   4   2.992  -2.541  -5.362
   87   2HA   GLY   4          1HA       GLY   4   3.590  -3.365  -3.930
   88    H    THR   5           H        THR   5   2.276  -1.479  -2.103
   89    HA   THR   5           HA       THR   5  -0.339  -2.738  -2.125
   90    HB   THR   5           HB       THR   5  -0.335  -1.080   0.058
   91    HG1  THR   5           1HG      THR   5   2.320  -2.021  -0.197
   92   1HG2  THR   5          1HG2      THR   5   0.401  -3.023   1.379
   93   2HG2  THR   5          2HG2      THR   5   0.813  -3.853  -0.121
   94   3HG2  THR   5          3HG2      THR   5  -0.861  -3.417   0.213
   95    H    GLN   6           H        GLN   6   1.061   0.480  -2.409
   96    HA   GLN   6           HA       GLN   6  -1.339   1.948  -2.334
   97   1HB   GLN   6          2HB       GLN   6   1.346   2.554  -2.514
   98   2HB   GLN   6          1HB       GLN   6   0.729   3.064  -4.079
   99   1HG   GLN   6          2HG       GLN   6   0.028   4.939  -3.148
  100   2HG   GLN   6          1HG       GLN   6  -1.104   4.002  -2.174
  101   1HE2  GLN   6          1HE2      GLN   6  -0.987   4.484  -0.114
  102   2HE2  GLN   6          2HE2      GLN   6   0.443   4.903   0.762
  103    H    GLU   7           H        GLU   7   0.301   0.237  -4.908
  104    HA   GLU   7           HA       GLU   7  -1.046   1.362  -7.101
  105   1HB   GLU   7          2HB       GLU   7   0.521  -1.106  -6.598
  106   2HB   GLU   7          1HB       GLU   7  -0.529  -1.113  -8.010
  107   1HG   GLU   7          2HG       GLU   7   0.758   1.322  -8.171
  108   2HG   GLU   7          1HG       GLU   7   2.006   0.224  -7.579
  109    H    GLU   8           H        GLU   8  -1.795  -1.535  -5.170
  110    HA   GLU   8           HA       GLU   8  -4.127  -2.184  -6.662
  111   1HB   GLU   8          2HB       GLU   8  -4.555  -3.850  -5.003
  112   2HB   GLU   8          1HB       GLU   8  -2.819  -3.806  -5.278
  113   1HG   GLU   8          2HG       GLU   8  -2.449  -3.451  -3.132
  114   2HG   GLU   8          1HG       GLU   8  -3.472  -2.017  -3.153
  115    H    LEU   9           H        LEU   9  -3.506  -0.162  -3.882
  116    HA   LEU   9           HA       LEU   9  -6.247   0.119  -3.114
  117   1HB   LEU   9          2HB       LEU   9  -3.769   1.700  -2.447
  118   2HB   LEU   9          1HB       LEU   9  -5.351   2.081  -1.791
  119    HG   LEU   9           HG       LEU   9  -4.205  -0.666  -1.438
  120   1HD1  LEU   9          1HD1      LEU   9  -3.729   1.555   0.524
  121   2HD1  LEU   9          2HD1      LEU   9  -2.553   1.140  -0.723
  122   3HD1  LEU   9          3HD1      LEU   9  -3.016  -0.058   0.486
  123   1HD2  LEU   9          1HD2      LEU   9  -5.536  -0.378   0.723
  124   2HD2  LEU   9          2HD2      LEU   9  -6.449  -0.542  -0.777
  125   3HD2  LEU   9          3HD2      LEU   9  -6.237   1.048  -0.044
  126    H    LEU  10           H        LEU  10  -3.944   2.179  -4.870
  127    HA   LEU  10           HA       LEU  10  -5.733   4.293  -5.374
  128   1HB   LEU  10          2HB       LEU  10  -3.134   3.392  -6.521
  129   2HB   LEU  10          1HB       LEU  10  -4.062   4.583  -7.414
  130    HG   LEU  10           HG       LEU  10  -3.637   5.142  -4.536
  131   1HD1  LEU  10          1HD1      LEU  10  -1.388   6.210  -5.305
  132   2HD1  LEU  10          2HD1      LEU  10  -1.430   4.944  -6.533
  133   3HD1  LEU  10          3HD1      LEU  10  -1.443   4.515  -4.823
  134   1HD2  LEU  10          1HD2      LEU  10  -3.211   6.960  -6.880
  135   2HD2  LEU  10          2HD2      LEU  10  -3.679   7.366  -5.229
  136   3HD2  LEU  10          3HD2      LEU  10  -4.832   6.576  -6.302
  137    H    ARG  11           H        ARG  11  -5.040   1.313  -7.102
  138    HA   ARG  11           HA       ARG  11  -6.433   1.943  -9.481
  139   1HB   ARG  11          2HB       ARG  11  -5.536  -0.613  -8.191
  140   2HB   ARG  11          1HB       ARG  11  -6.565  -0.658  -9.616
  141   1HG   ARG  11          2HG       ARG  11  -3.870   0.674  -9.429
  142   2HG   ARG  11          1HG       ARG  11  -4.216  -0.872 -10.208
  143   1HD   ARG  11          2HD       ARG  11  -4.457   0.341 -12.074
  144   2HD   ARG  11          1HD       ARG  11  -6.027   0.781 -11.404
  145    HE   ARG  11           HE       ARG  11  -5.254   2.912 -11.244
  146   1HH1  ARG  11          1HH1      ARG  11  -2.506   0.764 -11.133
  147   2HH1  ARG  11          2HH1      ARG  11  -1.348   2.048 -11.058
  148   1HH2  ARG  11          1HH2      ARG  11  -3.732   4.602 -11.146
  149   2HH2  ARG  11          2HH2      ARG  11  -2.042   4.227 -11.065
  150    H    TRP  12           H        TRP  12  -7.409   0.271  -6.511
  151    HA   TRP  12           HA       TRP  12 -10.034  -0.343  -7.383
  152   1HB   TRP  12          2HB       TRP  12  -8.933  -1.519  -5.518
  153   2HB   TRP  12          1HB       TRP  12  -8.979  -0.041  -4.563
  154    HD1  TRP  12           HD       TRP  12 -11.175  -2.911  -5.749
  155    HE1  TRP  12           1HE      TRP  12 -13.422  -2.816  -4.497
  156    HE3  TRP  12           3HE      TRP  12 -10.631   1.621  -3.445
  157    HZ2  TRP  12           2HZ      TRP  12 -14.783  -1.053  -2.762
  158    HZ3  TRP  12           3HZ      TRP  12 -12.452   2.439  -2.006
  159    HH2  TRP  12           HH       TRP  12 -14.485   1.130  -1.674
  160    H    CYS  13           H        CYS  13  -8.619   2.402  -5.699
  161    HA   CYS  13           HA       CYS  13 -11.034   3.657  -4.952
  162   1HB   CYS  13          2HB       CYS  13  -8.701   4.170  -4.092
  163   2HB   CYS  13          1HB       CYS  13  -8.443   5.072  -5.581
  164    HG   CYS  13           HG       CYS  13  -9.274   6.893  -4.104
  165    H    GLN  14           H        GLN  14  -8.949   4.057  -7.804
  166    HA   GLN  14           HA       GLN  14 -10.430   6.134  -8.989
  167   1HB   GLN  14          2HB       GLN  14  -9.268   5.501 -11.080
  168   2HB   GLN  14          1HB       GLN  14  -8.172   5.654  -9.713
  169   1HG   GLN  14          2HG       GLN  14  -7.841   3.358  -9.563
  170   2HG   GLN  14          1HG       GLN  14  -9.285   2.993 -10.507
  171   1HE2  GLN  14          1HE2      GLN  14  -8.246   1.740 -12.007
  172   2HE2  GLN  14          2HE2      GLN  14  -7.134   2.378 -13.165
  173    H    GLU  15           H        GLU  15 -10.734   2.632  -9.154
  174    HA   GLU  15           HA       GLU  15 -12.610   2.551 -11.270
  175   1HB   GLU  15          2HB       GLU  15 -11.205   0.677  -9.862
  176   2HB   GLU  15          1HB       GLU  15 -12.830   0.435  -9.235
  177   1HG   GLU  15          2HG       GLU  15 -13.662  -0.249 -11.263
  178   2HG   GLU  15          1HG       GLU  15 -12.416   0.599 -12.179
  179    H    GLN  16           H        GLN  16 -12.983   2.575  -7.744
  180    HA   GLN  16           HA       GLN  16 -15.805   2.407  -7.745
  181   1HB   GLN  16          2HB       GLN  16 -13.683   2.812  -5.788
  182   2HB   GLN  16          1HB       GLN  16 -15.130   3.734  -5.404
  183   1HG   GLN  16          2HG       GLN  16 -15.713   0.997  -6.189
  184   2HG   GLN  16          1HG       GLN  16 -14.663   1.101  -4.777
  185   1HE2  GLN  16          1HE2      GLN  16 -17.657   0.532  -5.429
  186   2HE2  GLN  16          2HE2      GLN  16 -18.483   1.392  -4.177
  187    H    THR  17           H        THR  17 -13.561   5.104  -7.908
  188    HA   THR  17           HA       THR  17 -15.697   7.054  -7.655
  189    HB   THR  17           HB       THR  17 -12.793   7.551  -8.316
  190    HG1  THR  17           1HG      THR  17 -12.341   7.371  -6.263
  191   1HG2  THR  17          1HG2      THR  17 -13.702   9.603  -6.740
  192   2HG2  THR  17          2HG2      THR  17 -15.067   9.283  -7.810
  193   3HG2  THR  17          3HG2      THR  17 -13.482   9.654  -8.488
  194    H    ALA  18           H        ALA  18 -14.962   5.094 -10.078
  195    HA   ALA  18           HA       ALA  18 -14.744   6.980 -12.249
  196   1HB   ALA  18          1HB       ALA  18 -13.986   4.409 -12.003
  197   2HB   ALA  18          2HB       ALA  18 -14.261   5.203 -13.553
  198   3HB   ALA  18          3HB       ALA  18 -15.525   4.200 -12.841
  199    H    GLY  19           H        GLY  19 -16.378   7.961 -13.248
  200   1HA   GLY  19          2HA       GLY  19 -18.645   7.217 -14.306
  201   2HA   GLY  19          1HA       GLY  19 -19.110   7.099 -12.617
  202    H    TYR  20           H        TYR  20 -17.484   9.409 -11.833
  203    HA   TYR  20           HA       TYR  20 -19.439  11.436 -12.375
  204   1HB   TYR  20          2HB       TYR  20 -16.792  11.699 -10.936
  205   2HB   TYR  20          1HB       TYR  20 -18.145  12.825 -10.858
  206    HD1  TYR  20           1HD      TYR  20 -19.969  12.451  -9.377
  207    HD2  TYR  20           2HD      TYR  20 -17.014   9.437  -9.907
  208    HE1  TYR  20           1HE      TYR  20 -20.883  11.225  -7.452
  209    HE2  TYR  20           2HE      TYR  20 -17.919   8.203  -7.985
  210    HH   TYR  20           HH       TYR  20 -19.281   8.403  -6.137
  211    HA   PRO  21           HA       PRO  21 -17.275  12.909 -16.017
  212   1HB   PRO  21          2HB       PRO  21 -18.981  14.907 -16.642
  213   2HB   PRO  21          1HB       PRO  21 -19.365  13.206 -16.936
  214   1HG   PRO  21          2HG       PRO  21 -20.231  14.982 -14.686
  215   2HG   PRO  21          1HG       PRO  21 -21.186  13.817 -15.624
  216   1HD   PRO  21          2HD       PRO  21 -20.189  13.265 -13.156
  217   2HD   PRO  21          1HD       PRO  21 -20.430  12.022 -14.400
  218    H    GLY  22           H        GLY  22 -15.926  13.631 -13.813
  219   1HA   GLY  22          2HA       GLY  22 -14.565  15.889 -14.373
  220   2HA   GLY  22          1HA       GLY  22 -15.937  16.504 -13.467
  221    H    VAL  23           H        VAL  23 -14.308  13.424 -12.902
  222    HA   VAL  23           HA       VAL  23 -13.093  14.523 -10.469
  223    HB   VAL  23           HB       VAL  23 -14.646  11.933 -10.477
  224   1HG1  VAL  23          1HG1      VAL  23 -14.376  12.080  -8.039
  225   2HG1  VAL  23          2HG1      VAL  23 -13.402  13.535  -8.244
  226   3HG1  VAL  23          3HG1      VAL  23 -12.824  11.991  -8.872
  227   1HG2  VAL  23          1HG2      VAL  23 -15.444  14.637  -9.403
  228   2HG2  VAL  23          2HG2      VAL  23 -16.310  13.130  -9.107
  229   3HG2  VAL  23          3HG2      VAL  23 -16.196  13.776 -10.745
  230    H    HIS  24           H        HIS  24 -11.012  14.021 -10.425
  231    HA   HIS  24           HA       HIS  24 -10.113  11.611 -11.858
  232   1HB   HIS  24          2HB       HIS  24  -9.173  14.324 -11.866
  233   2HB   HIS  24          1HB       HIS  24  -7.897  13.274 -11.257
  234    HD1  HIS  24           1HD      HIS  24  -6.610  11.961 -12.952
  235    HD2  HIS  24           2HD      HIS  24 -10.108  13.569 -14.515
  236    HE1  HIS  24           1HE      HIS  24  -6.511  11.510 -15.423
  237    HE2  HIS  24           2HE      HIS  24  -8.689  12.394 -16.330
  238    H    VAL  25           H        VAL  25  -9.303   9.987 -10.707
  239    HA   VAL  25           HA       VAL  25  -8.386  10.546  -7.959
  240    HB   VAL  25           HB       VAL  25  -9.678   7.977  -8.878
  241   1HG1  VAL  25          1HG1      VAL  25  -9.626   8.751  -6.036
  242   2HG1  VAL  25          2HG1      VAL  25  -8.061   8.365  -6.752
  243   3HG1  VAL  25          3HG1      VAL  25  -9.365   7.178  -6.793
  244   1HG2  VAL  25          1HG2      VAL  25 -11.500   8.984  -7.213
  245   2HG2  VAL  25          2HG2      VAL  25 -11.528   9.293  -8.950
  246   3HG2  VAL  25          3HG2      VAL  25 -10.853  10.496  -7.851
  247    H    SER  26           H        SER  26  -6.209  10.683  -8.515
  248    HA   SER  26           HA       SER  26  -4.924   8.114  -8.944
  249   1HB   SER  26          2HB       SER  26  -4.663  10.447 -10.828
  250   2HB   SER  26          1HB       SER  26  -3.372   9.256 -10.664
  251    HG   SER  26           HG       SER  26  -6.029   8.861 -11.548
  252    H    ASP  27           H        ASP  27  -5.216  10.289  -6.865
  253    HA   ASP  27           HA       ASP  27  -2.365  10.463  -6.217
  254   1HB   ASP  27          2HB       ASP  27  -4.236  12.796  -5.797
  255   2HB   ASP  27          1HB       ASP  27  -2.487  12.766  -5.593
  256    H    LEU  28           H        LEU  28  -1.892  10.217  -4.067
  257    HA   LEU  28           HA       LEU  28  -4.130   9.415  -2.368
  258   1HB   LEU  28          2HB       LEU  28  -1.556   8.391  -2.791
  259   2HB   LEU  28          1HB       LEU  28  -1.515   9.077  -1.178
  260    HG   LEU  28           HG       LEU  28  -3.862   7.668  -1.118
  261   1HD1  LEU  28          1HD1      LEU  28  -1.930   5.843  -2.501
  262   2HD1  LEU  28          2HD1      LEU  28  -3.132   6.766  -3.406
  263   3HD1  LEU  28          3HD1      LEU  28  -3.649   5.607  -2.179
  264   1HD2  LEU  28          1HD2      LEU  28  -2.388   5.900   0.039
  265   2HD2  LEU  28          2HD2      LEU  28  -2.426   7.531   0.705
  266   3HD2  LEU  28          3HD2      LEU  28  -1.061   7.015  -0.284
  267    H    SER  29           H        SER  29  -3.814  12.189  -2.841
  268    HA   SER  29           HA       SER  29  -3.765  13.125  -0.141
  269   1HB   SER  29          2HB       SER  29  -1.478  13.783  -1.978
  270   2HB   SER  29          1HB       SER  29  -1.969  14.907  -0.710
  271    HG   SER  29           HG       SER  29  -0.332  12.990  -0.381
  272    H    SER  30           H        SER  30  -2.961  14.786  -3.182
  273    HA   SER  30           HA       SER  30  -4.675  16.941  -2.786
  274   1HB   SER  30          2HB       SER  30  -4.519  16.933  -5.468
  275   2HB   SER  30          1HB       SER  30  -3.179  17.440  -4.439
  276    HG   SER  30           HG       SER  30  -2.832  15.765  -6.185
  277    H    SER  31           H        SER  31  -5.251  13.862  -4.417
  278    HA   SER  31           HA       SER  31  -7.680  14.407  -5.632
  279   1HB   SER  31          2HB       SER  31  -6.701  11.833  -4.385
  280   2HB   SER  31          1HB       SER  31  -8.126  11.951  -5.415
  281    HG   SER  31           HG       SER  31  -6.863  11.959  -7.084
  282    H    TRP  32           H        TRP  32  -6.967  13.932  -2.267
  283    HA   TRP  32           HA       TRP  32  -9.828  13.793  -1.629
  284   1HB   TRP  32          2HB       TRP  32  -7.524  13.450   0.289
  285   2HB   TRP  32          1HB       TRP  32  -9.208  12.995   0.536
  286    HD1  TRP  32           HD       TRP  32  -6.259  11.996  -1.783
  287    HE1  TRP  32           1HE      TRP  32  -6.465   9.480  -2.281
  288    HE3  TRP  32           3HE      TRP  32 -10.644  11.041   0.666
  289    HZ2  TRP  32           2HZ      TRP  32  -8.251   7.369  -1.712
  290    HZ3  TRP  32           3HZ      TRP  32 -11.532   8.748   0.641
  291    HH2  TRP  32           HH       TRP  32 -10.361   6.950  -0.523
  292    H    ALA  33           H        ALA  33  -7.720  16.169  -2.186
  293    HA   ALA  33           HA       ALA  33  -7.692  17.829   0.034
  294   1HB   ALA  33          1HB       ALA  33  -6.336  18.515  -1.718
  295   2HB   ALA  33          2HB       ALA  33  -7.642  19.700  -1.742
  296   3HB   ALA  33          3HB       ALA  33  -7.631  18.376  -2.908
  297    H    ASP  34           H        ASP  34  -9.983  18.057  -2.701
  298    HA   ASP  34           HA       ASP  34 -11.756  19.707  -1.121
  299   1HB   ASP  34          2HB       ASP  34 -13.195  19.606  -3.214
  300   2HB   ASP  34          1HB       ASP  34 -11.605  20.338  -3.402
  301    H    GLY  35           H        GLY  35 -11.221  16.506  -1.047
  302   1HA   GLY  35          2HA       GLY  35 -12.438  14.810  -0.072
  303   2HA   GLY  35          1HA       GLY  35 -13.753  15.952   0.163
  304    H    LEU  36           H        LEU  36 -12.338  15.323  -2.974
  305    HA   LEU  36           HA       LEU  36 -14.892  14.634  -4.060
  306   1HB   LEU  36          2HB       LEU  36 -12.202  15.197  -5.068
  307   2HB   LEU  36          1HB       LEU  36 -13.050  13.973  -5.996
  308    HG   LEU  36           HG       LEU  36 -13.284  16.333  -6.839
  309   1HD1  LEU  36          1HD1      LEU  36 -16.002  15.359  -6.137
  310   2HD1  LEU  36          2HD1      LEU  36 -14.945  14.300  -7.071
  311   3HD1  LEU  36          3HD1      LEU  36 -15.356  15.901  -7.686
  312   1HD2  LEU  36          1HD2      LEU  36 -14.140  17.981  -5.596
  313   2HD2  LEU  36          2HD2      LEU  36 -13.804  16.939  -4.215
  314   3HD2  LEU  36          3HD2      LEU  36 -15.412  16.951  -4.940
  315    H    ALA  37           H        ALA  37 -11.882  12.842  -3.467
  316    HA   ALA  37           HA       ALA  37 -12.721  10.382  -4.519
  317   1HB   ALA  37          1HB       ALA  37 -10.971   9.577  -2.658
  318   2HB   ALA  37          2HB       ALA  37 -10.561  11.291  -2.721
  319   3HB   ALA  37          3HB       ALA  37 -10.485  10.312  -4.186
  320    H    LEU  38           H        LEU  38 -12.846  11.631  -1.193
  321    HA   LEU  38           HA       LEU  38 -14.023   9.316  -0.071
  322   1HB   LEU  38          2HB       LEU  38 -12.871  11.461   0.997
  323   2HB   LEU  38          1HB       LEU  38 -14.538  11.991   1.122
  324    HG   LEU  38           HG       LEU  38 -14.151   9.273   2.109
  325   1HD1  LEU  38          1HD1      LEU  38 -13.021  11.267   3.970
  326   2HD1  LEU  38          2HD1      LEU  38 -11.982  10.747   2.642
  327   3HD1  LEU  38          3HD1      LEU  38 -12.639   9.556   3.764
  328   1HD2  LEU  38          1HD2      LEU  38 -16.150  10.136   2.765
  329   2HD2  LEU  38          2HD2      LEU  38 -15.528  11.782   2.885
  330   3HD2  LEU  38          3HD2      LEU  38 -15.177  10.611   4.157
  331    H    CYS  39           H        CYS  39 -15.398  12.375  -1.233
  332    HA   CYS  39           HA       CYS  39 -18.072  11.804  -0.554
  333   1HB   CYS  39          2HB       CYS  39 -16.782  13.685  -2.512
  334   2HB   CYS  39          1HB       CYS  39 -18.533  13.522  -2.441
  335    HG   CYS  39           HG       CYS  39 -18.581  14.903  -0.417
  336    H    ALA  40           H        ALA  40 -16.214  11.252  -3.516
  337    HA   ALA  40           HA       ALA  40 -18.284  10.350  -5.155
  338   1HB   ALA  40          1HB       ALA  40 -16.201   8.894  -6.063
  339   2HB   ALA  40          2HB       ALA  40 -15.349  10.129  -5.134
  340   3HB   ALA  40          3HB       ALA  40 -16.446  10.601  -6.432
  341    H    LEU  41           H        LEU  41 -16.269   8.590  -2.838
  342    HA   LEU  41           HA       LEU  41 -17.285   6.017  -3.464
  343   1HB   LEU  41          2HB       LEU  41 -15.562   7.209  -1.404
  344   2HB   LEU  41          1HB       LEU  41 -16.465   5.805  -0.864
  345    HG   LEU  41           HG       LEU  41 -15.475   4.890  -3.225
  346   1HD1  LEU  41          1HD1      LEU  41 -12.954   5.576  -2.886
  347   2HD1  LEU  41          2HD1      LEU  41 -13.682   7.049  -2.244
  348   3HD1  LEU  41          3HD1      LEU  41 -14.040   6.535  -3.893
  349   1HD2  LEU  41          1HD2      LEU  41 -13.660   4.655  -0.902
  350   2HD2  LEU  41          2HD2      LEU  41 -14.369   3.404  -1.923
  351   3HD2  LEU  41          3HD2      LEU  41 -15.335   4.159  -0.656
  352    H    VAL  42           H        VAL  42 -18.017   8.283  -0.818
  353    HA   VAL  42           HA       VAL  42 -19.980   6.760   0.448
  354    HB   VAL  42           HB       VAL  42 -20.046   9.768   0.276
  355   1HG1  VAL  42          1HG1      VAL  42 -20.583   8.544   2.843
  356   2HG1  VAL  42          2HG1      VAL  42 -21.671   7.943   1.591
  357   3HG1  VAL  42          3HG1      VAL  42 -21.559   9.674   1.905
  358   1HG2  VAL  42          1HG2      VAL  42 -17.892   8.163   1.176
  359   2HG2  VAL  42          2HG2      VAL  42 -18.657   8.875   2.596
  360   3HG2  VAL  42          3HG2      VAL  42 -18.076   9.911   1.293
  361    H    TYR  43           H        TYR  43 -20.318   9.208  -2.108
  362    HA   TYR  43           HA       TYR  43 -23.103   9.179  -2.295
  363   1HB   TYR  43          2HB       TYR  43 -21.667  10.867  -3.385
  364   2HB   TYR  43          1HB       TYR  43 -21.107   9.644  -4.520
  365    HD1  TYR  43           1HD      TYR  43 -24.395  10.912  -3.255
  366    HD2  TYR  43           2HD      TYR  43 -22.059   9.737  -6.612
  367    HE1  TYR  43           1HE      TYR  43 -26.279  11.439  -4.743
  368    HE2  TYR  43           2HE      TYR  43 -23.937  10.263  -8.110
  369    HH   TYR  43           HH       TYR  43 -26.385  10.469  -7.991
  370    H    ARG  44           H        ARG  44 -20.675   7.096  -3.773
  371    HA   ARG  44           HA       ARG  44 -22.373   5.744  -5.562
  372   1HB   ARG  44          2HB       ARG  44 -19.664   5.639  -4.846
  373   2HB   ARG  44          1HB       ARG  44 -20.287   4.028  -4.518
  374   1HG   ARG  44          2HG       ARG  44 -21.257   4.941  -7.055
  375   2HG   ARG  44          1HG       ARG  44 -19.503   5.107  -6.985
  376   1HD   ARG  44          2HD       ARG  44 -19.237   2.794  -6.442
  377   2HD   ARG  44          1HD       ARG  44 -20.974   2.589  -6.233
  378    HE   ARG  44           HE       ARG  44 -20.765   3.407  -8.798
  379   1HH1  ARG  44          1HH1      ARG  44 -19.207   0.868  -6.980
  380   2HH1  ARG  44          2HH1      ARG  44 -19.007  -0.166  -8.354
  381   1HH2  ARG  44          1HH2      ARG  44 -20.503   2.050 -10.607
  382   2HH2  ARG  44          2HH2      ARG  44 -19.741   0.506 -10.414
  383    H    LEU  45           H        LEU  45 -21.597   5.200  -2.170
  384    HA   LEU  45           HA       LEU  45 -23.025   2.714  -2.017
  385   1HB   LEU  45          2HB       LEU  45 -21.659   4.517  -0.074
  386   2HB   LEU  45          1HB       LEU  45 -22.804   3.340   0.541
  387    HG   LEU  45           HG       LEU  45 -20.448   2.565   0.605
  388   1HD1  LEU  45          1HD1      LEU  45 -20.892   0.358  -0.195
  389   2HD1  LEU  45          2HD1      LEU  45 -22.145   0.949  -1.287
  390   3HD1  LEU  45          3HD1      LEU  45 -22.393   1.014   0.458
  391   1HD2  LEU  45          1HD2      LEU  45 -19.483   1.826  -1.603
  392   2HD2  LEU  45          2HD2      LEU  45 -19.506   3.567  -1.324
  393   3HD2  LEU  45          3HD2      LEU  45 -20.708   2.828  -2.381
  394    H    GLN  46           H        GLN  46 -23.673   6.073  -1.117
  395    HA   GLN  46           HA       GLN  46 -26.525   5.386  -0.915
  396   1HB   GLN  46          2HB       GLN  46 -24.808   6.441   1.160
  397   2HB   GLN  46          1HB       GLN  46 -26.117   7.559   0.812
  398   1HG   GLN  46          2HG       GLN  46 -27.635   6.259   1.788
  399   2HG   GLN  46          1HG       GLN  46 -27.012   4.801   1.015
  400   1HE2  GLN  46          1HE2      GLN  46 -27.934   5.116   3.724
  401   2HE2  GLN  46          2HE2      GLN  46 -26.605   4.722   4.754
  402    HA   PRO  47           HA       PRO  47 -25.809   8.814  -3.978
  403   1HB   PRO  47          2HB       PRO  47 -27.744   7.930  -5.696
  404   2HB   PRO  47          1HB       PRO  47 -26.057   7.404  -5.765
  405   1HG   PRO  47          2HG       PRO  47 -28.421   6.034  -4.541
  406   2HG   PRO  47          1HG       PRO  47 -27.107   5.347  -5.515
  407   1HD   PRO  47          2HD       PRO  47 -27.159   5.123  -2.832
  408   2HD   PRO  47          1HD       PRO  47 -25.638   5.302  -3.728
  409    H    GLY  48           H        GLY  48 -28.658   7.456  -2.457
  410   1HA   GLY  48          2HA       GLY  48 -30.214   9.870  -2.975
  411   2HA   GLY  48          1HA       GLY  48 -30.797   8.404  -2.204
  412    H    LEU  49           H        LEU  49 -27.879   9.165  -0.810
  413    HA   LEU  49           HA       LEU  49 -29.078  10.948   1.189
  414   1HB   LEU  49          2HB       LEU  49 -28.044   8.202   1.594
  415   2HB   LEU  49          1HB       LEU  49 -27.589   9.390   2.802
  416    HG   LEU  49           HG       LEU  49 -30.466   9.078   2.031
  417   1HD1  LEU  49          1HD1      LEU  49 -28.826   7.044   3.251
  418   2HD1  LEU  49          2HD1      LEU  49 -30.518   6.981   2.759
  419   3HD1  LEU  49          3HD1      LEU  49 -30.088   7.591   4.357
  420   1HD2  LEU  49          1HD2      LEU  49 -30.891  10.285   3.893
  421   2HD2  LEU  49          2HD2      LEU  49 -29.240  10.847   3.633
  422   3HD2  LEU  49          3HD2      LEU  49 -29.559   9.563   4.798
  423    H    LEU  50           H        LEU  50 -27.122  11.341  -0.979
  424    HA   LEU  50           HA       LEU  50 -25.015  12.523   0.666
  425   1HB   LEU  50          2HB       LEU  50 -24.659  10.342  -1.268
  426   2HB   LEU  50          1HB       LEU  50 -23.565  11.693  -1.502
  427    HG   LEU  50           HG       LEU  50 -22.456  10.097  -0.122
  428   1HD1  LEU  50          1HD1      LEU  50 -21.644  11.585   1.338
  429   2HD1  LEU  50          2HD1      LEU  50 -23.219  11.868   2.078
  430   3HD1  LEU  50          3HD1      LEU  50 -22.781  12.705   0.590
  431   1HD2  LEU  50          1HD2      LEU  50 -24.236  10.149   2.177
  432   2HD2  LEU  50          2HD2      LEU  50 -23.456   8.785   1.379
  433   3HD2  LEU  50          3HD2      LEU  50 -24.980   9.416   0.755
  434    H    GLU  51           H        GLU  51 -23.687  14.087  -0.571
  435    HA   GLU  51           HA       GLU  51 -24.891  15.127  -3.006
  436   1HB   GLU  51          2HB       GLU  51 -24.732  16.687  -0.426
  437   2HB   GLU  51          1HB       GLU  51 -24.926  17.454  -1.997
  438   1HG   GLU  51          2HG       GLU  51 -26.824  15.343  -1.045
  439   2HG   GLU  51          1HG       GLU  51 -27.014  17.035  -0.588
  440    HA   PRO  52           HA       PRO  52 -20.176  15.167  -2.640
  441   1HB   PRO  52          2HB       PRO  52 -19.931  14.334  -5.284
  442   2HB   PRO  52          1HB       PRO  52 -19.832  13.285  -3.868
  443   1HG   PRO  52          2HG       PRO  52 -22.142  13.805  -5.687
  444   2HG   PRO  52          1HG       PRO  52 -21.629  12.287  -4.925
  445   1HD   PRO  52          2HD       PRO  52 -23.710  13.678  -3.978
  446   2HD   PRO  52          1HD       PRO  52 -22.586  12.846  -2.881
  447    H    SER  53           H        SER  53 -22.077  15.958  -5.560
  448    HA   SER  53           HA       SER  53 -20.398  17.902  -6.593
  449   1HB   SER  53          2HB       SER  53 -23.272  17.235  -6.875
  450   2HB   SER  53          1HB       SER  53 -22.801  18.860  -7.375
  451    HG   SER  53           HG       SER  53 -21.593  16.450  -8.268
  452    H    GLU  54           H        GLU  54 -22.664  18.101  -3.952
  453    HA   GLU  54           HA       GLU  54 -22.783  20.943  -3.827
  454   1HB   GLU  54          2HB       GLU  54 -24.475  19.396  -2.830
  455   2HB   GLU  54          1HB       GLU  54 -23.293  18.960  -1.605
  456   1HG   GLU  54          2HG       GLU  54 -23.272  21.185  -0.736
  457   2HG   GLU  54          1HG       GLU  54 -24.276  21.765  -2.066
  458    H    LEU  55           H        LEU  55 -20.976  18.517  -1.945
  459    HA   LEU  55           HA       LEU  55 -19.468  20.575  -0.583
  460   1HB   LEU  55          2HB       LEU  55 -19.474  17.574  -0.481
  461   2HB   LEU  55          1HB       LEU  55 -18.244  18.515   0.341
  462    HG   LEU  55           HG       LEU  55 -19.972  17.908   1.910
  463   1HD1  LEU  55          1HD1      LEU  55 -20.048  19.911   2.938
  464   2HD1  LEU  55          2HD1      LEU  55 -20.691  20.739   1.519
  465   3HD1  LEU  55          3HD1      LEU  55 -18.967  20.386   1.628
  466   1HD2  LEU  55          1HD2      LEU  55 -21.732  17.747   0.045
  467   2HD2  LEU  55          2HD2      LEU  55 -21.979  19.471   0.324
  468   3HD2  LEU  55          3HD2      LEU  55 -22.250  18.319   1.631
  469    H    GLN  56           H        GLN  56 -19.203  19.014  -3.538
  470    HA   GLN  56           HA       GLN  56 -16.466  18.526  -3.768
  471   1HB   GLN  56          2HB       GLN  56 -18.113  17.720  -5.387
  472   2HB   GLN  56          1HB       GLN  56 -18.433  19.370  -5.898
  473   1HG   GLN  56          2HG       GLN  56 -15.737  19.192  -6.251
  474   2HG   GLN  56          1HG       GLN  56 -16.266  17.556  -6.635
  475   1HE2  GLN  56          1HE2      GLN  56 -16.407  20.903  -7.534
  476   2HE2  GLN  56          2HE2      GLN  56 -17.105  20.668  -9.096
  477    H    GLY  57           H        GLY  57 -18.300  21.501  -4.263
  478   1HA   GLY  57          2HA       GLY  57 -15.725  22.885  -4.702
  479   2HA   GLY  57          1HA       GLY  57 -17.253  23.427  -5.379
  480    H    LEU  58           H        LEU  58 -18.621  22.794  -2.777
  481    HA   LEU  58           HA       LEU  58 -18.715  25.300  -1.672
  482   1HB   LEU  58          2HB       LEU  58 -19.605  22.647  -0.933
  483   2HB   LEU  58          1HB       LEU  58 -19.174  23.589   0.483
  484    HG   LEU  58           HG       LEU  58 -20.662  25.422  -0.496
  485   1HD1  LEU  58          1HD1      LEU  58 -21.943  25.061  -2.297
  486   2HD1  LEU  58          2HD1      LEU  58 -22.261  23.383  -1.860
  487   3HD1  LEU  58          3HD1      LEU  58 -20.758  23.811  -2.678
  488   1HD2  LEU  58          1HD2      LEU  58 -22.369  24.710   0.830
  489   2HD2  LEU  58          2HD2      LEU  58 -21.122  23.581   1.359
  490   3HD2  LEU  58          3HD2      LEU  58 -22.334  23.069   0.183
  491    H    GLY  59           H        GLY  59 -16.442  22.715  -0.974
  492   1HA   GLY  59          2HA       GLY  59 -14.344  24.232  -0.154
  493   2HA   GLY  59          1HA       GLY  59 -15.309  24.081   1.305
  494    H    ALA  60           H        ALA  60 -12.649  23.122   0.912
  495    HA   ALA  60           HA       ALA  60 -12.757  20.274   0.514
  496   1HB   ALA  60          1HB       ALA  60 -10.347  20.584   1.579
  497   2HB   ALA  60          2HB       ALA  60 -10.650  22.267   1.151
  498   3HB   ALA  60          3HB       ALA  60 -10.690  21.020  -0.095
  499    H    LEU  61           H        LEU  61 -12.031  22.356   3.316
  500    HA   LEU  61           HA       LEU  61 -11.903  20.327   5.229
  501   1HB   LEU  61          2HB       LEU  61 -12.915  23.110   5.775
  502   2HB   LEU  61          1HB       LEU  61 -12.074  22.036   6.876
  503    HG   LEU  61           HG       LEU  61 -10.889  23.439   4.482
  504   1HD1  LEU  61          1HD1      LEU  61 -11.158  24.960   6.288
  505   2HD1  LEU  61          2HD1      LEU  61  -9.460  24.480   6.258
  506   3HD1  LEU  61          3HD1      LEU  61 -10.554  23.780   7.452
  507   1HD2  LEU  61          1HD2      LEU  61 -10.059  21.064   5.007
  508   2HD2  LEU  61          2HD2      LEU  61  -9.362  21.784   6.459
  509   3HD2  LEU  61          3HD2      LEU  61  -8.863  22.353   4.867
  510    H    GLU  62           H        GLU  62 -14.654  22.198   4.043
  511    HA   GLU  62           HA       GLU  62 -16.526  21.152   5.912
  512   1HB   GLU  62          2HB       GLU  62 -16.575  22.918   3.581
  513   2HB   GLU  62          1HB       GLU  62 -18.019  21.926   3.722
  514   1HG   GLU  62          2HG       GLU  62 -17.622  22.843   6.289
  515   2HG   GLU  62          1HG       GLU  62 -17.168  24.219   5.284
  516    H    ALA  63           H        ALA  63 -15.549  20.242   2.646
  517    HA   ALA  63           HA       ALA  63 -17.547  18.312   2.188
  518   1HB   ALA  63          1HB       ALA  63 -16.139  19.260   0.413
  519   2HB   ALA  63          2HB       ALA  63 -16.117  17.496   0.405
  520   3HB   ALA  63          3HB       ALA  63 -14.749  18.392   1.065
  521    H    THR  64           H        THR  64 -14.290  18.049   3.563
  522    HA   THR  64           HA       THR  64 -14.330  15.236   3.869
  523    HB   THR  64           HB       THR  64 -12.739  17.135   5.584
  524    HG1  THR  64           1HG      THR  64 -11.417  17.517   3.949
  525   1HG2  THR  64          1HG2      THR  64 -11.736  14.598   4.378
  526   2HG2  THR  64          2HG2      THR  64 -12.688  14.566   5.864
  527   3HG2  THR  64          3HG2      THR  64 -11.172  15.465   5.807
  528    H    ALA  65           H        ALA  65 -14.903  17.877   6.187
  529    HA   ALA  65           HA       ALA  65 -15.513  16.224   8.382
  530   1HB   ALA  65          1HB       ALA  65 -16.450  18.227   9.407
  531   2HB   ALA  65          2HB       ALA  65 -16.429  19.047   7.845
  532   3HB   ALA  65          3HB       ALA  65 -14.913  18.582   8.618
  533    H    TRP  66           H        TRP  66 -17.587  17.753   5.943
  534    HA   TRP  66           HA       TRP  66 -20.039  16.903   7.072
  535   1HB   TRP  66          2HB       TRP  66 -19.661  18.738   5.328
  536   2HB   TRP  66          1HB       TRP  66 -19.592  17.440   4.139
  537    HD1  TRP  66           HD       TRP  66 -22.024  19.394   6.301
  538    HE1  TRP  66           1HE      TRP  66 -24.430  18.771   5.633
  539    HE3  TRP  66           3HE      TRP  66 -21.015  15.459   3.195
  540    HZ2  TRP  66           2HZ      TRP  66 -25.729  16.866   4.005
  541    HZ3  TRP  66           3HZ      TRP  66 -22.896  14.291   2.122
  542    HH2  TRP  66           HH       TRP  66 -25.204  14.982   2.521
  543    H    ALA  67           H        ALA  67 -18.088  15.607   4.395
  544    HA   ALA  67           HA       ALA  67 -19.755  13.406   3.841
  545   1HB   ALA  67          1HB       ALA  67 -16.782  13.573   3.374
  546   2HB   ALA  67          2HB       ALA  67 -17.996  14.304   2.323
  547   3HB   ALA  67          3HB       ALA  67 -17.944  12.553   2.525
  548    H    LEU  68           H        LEU  68 -16.987  13.794   6.004
  549    HA   LEU  68           HA       LEU  68 -16.750  11.072   6.721
  550   1HB   LEU  68          2HB       LEU  68 -15.836  13.649   7.938
  551   2HB   LEU  68          1HB       LEU  68 -15.658  12.153   8.832
  552    HG   LEU  68           HG       LEU  68 -14.503  12.634   6.086
  553   1HD1  LEU  68          1HD1      LEU  68 -13.532  14.078   7.878
  554   2HD1  LEU  68          2HD1      LEU  68 -12.387  12.965   7.131
  555   3HD1  LEU  68          3HD1      LEU  68 -13.054  12.607   8.724
  556   1HD2  LEU  68          1HD2      LEU  68 -14.867  10.304   6.454
  557   2HD2  LEU  68          2HD2      LEU  68 -14.205  10.401   8.085
  558   3HD2  LEU  68          3HD2      LEU  68 -13.148  10.620   6.690
  559    H    LYS  69           H        LYS  69 -18.557  13.768   8.136
  560    HA   LYS  69           HA       LYS  69 -19.468  12.332  10.407
  561   1HB   LYS  69          2HB       LYS  69 -19.887  14.958   9.223
  562   2HB   LYS  69          1HB       LYS  69 -21.365  14.306   9.914
  563   1HG   LYS  69          2HG       LYS  69 -19.869  13.804  11.977
  564   2HG   LYS  69          1HG       LYS  69 -18.798  15.010  11.259
  565   1HD   LYS  69          2HD       LYS  69 -20.162  16.712  11.793
  566   2HD   LYS  69          1HD       LYS  69 -21.615  15.810  11.352
  567   1HE   LYS  69          2HE       LYS  69 -20.957  14.476  13.566
  568   2HE   LYS  69          1HE       LYS  69 -20.225  16.032  13.962
  569   1HZ   LYS  69          1HZ       LYS  69 -22.525  15.834  14.748
  570   2HZ   LYS  69          2HZ       LYS  69 -23.058  15.650  13.153
  571   3HZ   LYS  69          3HZ       LYS  69 -22.341  17.103  13.643
  572    H    VAL  70           H        VAL  70 -20.999  13.110   7.290
  573    HA   VAL  70           HA       VAL  70 -23.409  11.713   7.846
  574    HB   VAL  70           HB       VAL  70 -23.846  11.879   5.421
  575   1HG1  VAL  70          1HG1      VAL  70 -22.778  14.560   6.039
  576   2HG1  VAL  70          2HG1      VAL  70 -23.875  13.862   7.231
  577   3HG1  VAL  70          3HG1      VAL  70 -24.403  14.065   5.560
  578   1HG2  VAL  70          1HG2      VAL  70 -20.958  12.562   5.384
  579   2HG2  VAL  70          2HG2      VAL  70 -22.014  13.409   4.254
  580   3HG2  VAL  70          3HG2      VAL  70 -21.922  11.649   4.223
  581    H    ALA  71           H        ALA  71 -20.407  10.829   6.199
  582    HA   ALA  71           HA       ALA  71 -21.170   8.370   5.145
  583   1HB   ALA  71          1HB       ALA  71 -19.066   9.266   4.513
  584   2HB   ALA  71          2HB       ALA  71 -18.729   7.771   5.384
  585   3HB   ALA  71          3HB       ALA  71 -18.511   9.327   6.185
  586    H    GLU  72           H        GLU  72 -19.951   9.195   8.353
  587    HA   GLU  72           HA       GLU  72 -19.950   6.533   9.347
  588   1HB   GLU  72          2HB       GLU  72 -18.575   8.283  10.363
  589   2HB   GLU  72          1HB       GLU  72 -20.021   9.175  10.818
  590   1HG   GLU  72          2HG       GLU  72 -20.687   7.231  12.227
  591   2HG   GLU  72          1HG       GLU  72 -19.119   6.508  11.873
  592    H    ASN  73           H        ASN  73 -22.280   9.168   9.336
  593    HA   ASN  73           HA       ASN  73 -24.134   7.925  11.097
  594   1HB   ASN  73          2HB       ASN  73 -24.348  10.200   9.137
  595   2HB   ASN  73          1HB       ASN  73 -25.738   9.634  10.059
  596   1HD2  ASN  73          1HD2      ASN  73 -24.362  12.205  10.116
  597   2HD2  ASN  73          2HD2      ASN  73 -23.865  12.443  11.754
  598    H    GLU  74           H        GLU  74 -23.832   8.072   7.577
  599    HA   GLU  74           HA       GLU  74 -26.252   6.573   7.146
  600   1HB   GLU  74          2HB       GLU  74 -24.354   8.061   5.530
  601   2HB   GLU  74          1HB       GLU  74 -24.805   6.544   4.768
  602   1HG   GLU  74          2HG       GLU  74 -26.233   8.395   4.062
  603   2HG   GLU  74          1HG       GLU  74 -27.145   7.135   4.895
  604    H    LEU  75           H        LEU  75 -22.772   5.897   6.946
  605    HA   LEU  75           HA       LEU  75 -23.353   3.108   6.295
  606   1HB   LEU  75          2HB       LEU  75 -21.441   4.797   5.373
  607   2HB   LEU  75          1HB       LEU  75 -20.551   3.948   6.623
  608    HG   LEU  75           HG       LEU  75 -22.073   2.505   4.460
  609   1HD1  LEU  75          1HD1      LEU  75 -19.375   3.750   4.411
  610   2HD1  LEU  75          2HD1      LEU  75 -20.562   3.567   3.120
  611   3HD1  LEU  75          3HD1      LEU  75 -19.596   2.184   3.631
  612   1HD2  LEU  75          1HD2      LEU  75 -20.371   0.731   5.073
  613   2HD2  LEU  75          2HD2      LEU  75 -21.613   1.072   6.277
  614   3HD2  LEU  75          3HD2      LEU  75 -19.987   1.723   6.479
  615    H    GLY  76           H        GLY  76 -21.708   5.007   8.809
  616   1HA   GLY  76          2HA       GLY  76 -21.854   4.323  11.117
  617   2HA   GLY  76          1HA       GLY  76 -21.960   2.659  10.571
  618    H    ILE  77           H        ILE  77 -19.631   4.647   9.010
  619    HA   ILE  77           HA       ILE  77 -17.494   3.120  10.295
  620    HB   ILE  77           HB       ILE  77 -17.251   4.975   7.930
  621   1HG1  ILE  77          2HG1      ILE  77 -18.885   3.179   7.469
  622   2HG1  ILE  77          1HG1      ILE  77 -17.423   3.005   6.504
  623   1HG2  ILE  77          1HG2      ILE  77 -15.481   2.642   8.499
  624   2HG2  ILE  77          2HG2      ILE  77 -15.241   4.155   9.371
  625   3HG2  ILE  77          3HG2      ILE  77 -15.135   4.126   7.611
  626   1HD1  ILE  77          1HD1      ILE  77 -16.916   1.033   7.419
  627   2HD1  ILE  77          2HD1      ILE  77 -18.608   1.018   7.919
  628   3HD1  ILE  77          3HD1      ILE  77 -17.362   1.559   9.043
  629    H    THR  78           H        THR  78 -16.488   3.994  11.974
  630    HA   THR  78           HA       THR  78 -16.681   6.774  12.601
  631    HB   THR  78           HB       THR  78 -14.890   4.683  13.849
  632    HG1  THR  78           1HG      THR  78 -17.511   5.471  14.583
  633   1HG2  THR  78          1HG2      THR  78 -14.745   7.303  14.344
  634   2HG2  THR  78          2HG2      THR  78 -14.489   6.068  15.576
  635   3HG2  THR  78          3HG2      THR  78 -16.054   6.870  15.444
  636    HA   PRO  79           HA       PRO  79 -13.295   8.331  10.179
  637   1HB   PRO  79          2HB       PRO  79 -12.990  10.216  12.463
  638   2HB   PRO  79          1HB       PRO  79 -13.152  10.556  10.736
  639   1HG   PRO  79          2HG       PRO  79 -15.195  10.958  12.396
  640   2HG   PRO  79          1HG       PRO  79 -15.457  10.306  10.767
  641   1HD   PRO  79          2HD       PRO  79 -15.480   8.899  13.400
  642   2HD   PRO  79          1HD       PRO  79 -16.488   8.626  11.964
  643    H    VAL  80           H        VAL  80 -11.068   8.226  10.150
  644    HA   VAL  80           HA       VAL  80  -9.812   7.080  12.557
  645    HB   VAL  80           HB       VAL  80  -8.854   6.737   9.717
  646   1HG1  VAL  80          1HG1      VAL  80  -7.141   5.561  10.547
  647   2HG1  VAL  80          2HG1      VAL  80  -8.157   4.740  11.731
  648   3HG1  VAL  80          3HG1      VAL  80  -7.523   6.348  12.077
  649   1HG2  VAL  80          1HG2      VAL  80 -10.405   4.740  11.358
  650   2HG2  VAL  80          2HG2      VAL  80  -9.873   4.573   9.684
  651   3HG2  VAL  80          3HG2      VAL  80 -11.117   5.752  10.100
  652    H    VAL  81           H        VAL  81  -9.667   9.597  10.177
  653    HA   VAL  81           HA       VAL  81  -7.339  10.726  11.570
  654    HB   VAL  81           HB       VAL  81  -7.712  10.887   8.578
  655   1HG1  VAL  81          1HG1      VAL  81  -6.496  12.762   9.418
  656   2HG1  VAL  81          2HG1      VAL  81  -5.336  11.661   8.674
  657   3HG1  VAL  81          3HG1      VAL  81  -5.489  11.727  10.430
  658   1HG2  VAL  81          1HG2      VAL  81  -6.095   9.211   8.282
  659   2HG2  VAL  81          2HG2      VAL  81  -7.186   8.572   9.511
  660   3HG2  VAL  81          3HG2      VAL  81  -5.625   9.244   9.981
  661    H    SER  82           H        SER  82  -7.151  13.063  11.362
  662    HA   SER  82           HA       SER  82  -9.708  14.337  11.581
  663   1HB   SER  82          2HB       SER  82  -7.482  14.860  12.850
  664   2HB   SER  82          1HB       SER  82  -7.120  15.852  11.437
  665    HG   SER  82           HG       SER  82  -8.213  16.975  13.166
  666    H    ALA  83           H        ALA  83 -10.424  16.162  10.349
  667    HA   ALA  83           HA       ALA  83 -10.296  15.782   7.572
  668   1HB   ALA  83          1HB       ALA  83 -12.227  16.840   8.258
  669   2HB   ALA  83          2HB       ALA  83 -11.306  18.183   7.582
  670   3HB   ALA  83          3HB       ALA  83 -11.365  17.947   9.329
  671    H    GLN  84           H        GLN  84  -8.672  18.127   9.678
  672    HA   GLN  84           HA       GLN  84  -7.449  19.693   7.737
  673   1HB   GLN  84          2HB       GLN  84  -6.314  18.916  10.430
  674   2HB   GLN  84          1HB       GLN  84  -5.827  20.302   9.462
  675   1HG   GLN  84          2HG       GLN  84  -8.572  19.884  10.623
  676   2HG   GLN  84          1HG       GLN  84  -7.313  20.905  11.321
  677   1HE2  GLN  84          1HE2      GLN  84  -6.967  22.906  10.507
  678   2HE2  GLN  84          2HE2      GLN  84  -7.910  23.613   9.244
  679    H    ALA  85           H        ALA  85  -6.320  16.686   9.235
  680    HA   ALA  85           HA       ALA  85  -3.816  16.622   7.909
  681   1HB   ALA  85          1HB       ALA  85  -5.439  14.685   9.474
  682   2HB   ALA  85          2HB       ALA  85  -3.789  15.251   9.734
  683   3HB   ALA  85          3HB       ALA  85  -4.125  14.059   8.479
  684    H    VAL  86           H        VAL  86  -6.986  15.256   7.154
  685    HA   VAL  86           HA       VAL  86  -6.194  13.698   4.948
  686    HB   VAL  86           HB       VAL  86  -8.886  15.009   5.341
  687   1HG1  VAL  86          1HG1      VAL  86  -9.760  13.306   3.944
  688   2HG1  VAL  86          2HG1      VAL  86  -8.236  12.419   3.954
  689   3HG1  VAL  86          3HG1      VAL  86  -8.351  13.963   3.111
  690   1HG2  VAL  86          1HG2      VAL  86  -8.612  12.218   6.153
  691   2HG2  VAL  86          2HG2      VAL  86  -9.396  13.567   6.975
  692   3HG2  VAL  86          3HG2      VAL  86  -7.657  13.331   7.133
  693    H    VAL  87           H        VAL  87  -7.599  16.972   5.079
  694    HA   VAL  87           HA       VAL  87  -7.518  17.451   2.308
  695    HB   VAL  87           HB       VAL  87  -7.313  19.542   4.477
  696   1HG1  VAL  87          1HG1      VAL  87  -8.311  21.028   2.882
  697   2HG1  VAL  87          2HG1      VAL  87  -8.530  19.713   1.725
  698   3HG1  VAL  87          3HG1      VAL  87  -6.907  20.267   2.132
  699   1HG2  VAL  87          1HG2      VAL  87  -9.970  19.089   3.419
  700   2HG2  VAL  87          2HG2      VAL  87  -9.421  19.171   5.093
  701   3HG2  VAL  87          3HG2      VAL  87  -9.326  17.649   4.208
  702    H    ALA  88           H        ALA  88  -5.130  17.873   4.842
  703    HA   ALA  88           HA       ALA  88  -3.296  19.298   3.119
  704   1HB   ALA  88          1HB       ALA  88  -2.112  19.772   4.987
  705   2HB   ALA  88          2HB       ALA  88  -2.333  18.161   5.671
  706   3HB   ALA  88          3HB       ALA  88  -3.632  19.349   5.774
  707    H    GLY  89           H        GLY  89  -4.073  16.040   3.686
  708   1HA   GLY  89          2HA       GLY  89  -3.140  14.090   2.920
  709   2HA   GLY  89          1HA       GLY  89  -2.147  15.084   1.865
  710    H    SER  90           H        SER  90  -2.130  15.338   5.362
  711    HA   SER  90           HA       SER  90   0.677  14.483   5.338
  712   1HB   SER  90          2HB       SER  90   0.926  15.710   7.418
  713   2HB   SER  90          1HB       SER  90   0.150  16.753   6.225
  714    HG   SER  90           HG       SER  90  -0.795  15.829   8.611
  715    H    ASP  91           H        ASP  91  -1.391  12.528   5.237
  716    HA   ASP  91           HA       ASP  91  -0.617  10.944   7.515
  717   1HB   ASP  91          2HB       ASP  91  -3.142  12.345   7.520
  718   2HB   ASP  91          1HB       ASP  91  -3.415  10.607   7.524
  719    HA   PRO  92           HA       PRO  92  -1.300   8.733   3.437
  720   1HB   PRO  92          2HB       PRO  92   1.018   7.273   3.676
  721   2HB   PRO  92          1HB       PRO  92   0.903   8.822   2.834
  722   1HG   PRO  92          2HG       PRO  92   1.856   8.237   5.610
  723   2HG   PRO  92          1HG       PRO  92   2.527   9.354   4.405
  724   1HD   PRO  92          2HD       PRO  92   1.022  10.226   6.452
  725   2HD   PRO  92          1HD       PRO  92   0.941  10.983   4.848
  726    H    LEU  93           H        LEU  93   0.006   7.494   6.505
  727    HA   LEU  93           HA       LEU  93  -0.864   4.835   6.163
  728   1HB   LEU  93          2HB       LEU  93   0.020   6.493   8.481
  729   2HB   LEU  93          1HB       LEU  93  -0.752   4.950   8.800
  730    HG   LEU  93           HG       LEU  93   1.018   3.999   7.145
  731   1HD1  LEU  93          1HD1      LEU  93   1.828   6.181   6.378
  732   2HD1  LEU  93          2HD1      LEU  93   3.113   5.226   7.118
  733   3HD1  LEU  93          3HD1      LEU  93   2.369   6.550   8.016
  734   1HD2  LEU  93          1HD2      LEU  93   0.802   4.022   9.824
  735   2HD2  LEU  93          2HD2      LEU  93   2.348   4.850   9.638
  736   3HD2  LEU  93          3HD2      LEU  93   2.124   3.237   8.961
  737    H    GLY  94           H        GLY  94  -2.405   7.692   7.509
  738   1HA   GLY  94          2HA       GLY  94  -4.661   6.265   8.566
  739   2HA   GLY  94          1HA       GLY  94  -4.511   8.008   8.408
  740    H    LEU  95           H        LEU  95  -4.034   8.120   5.616
  741    HA   LEU  95           HA       LEU  95  -6.686   8.111   4.661
  742   1HB   LEU  95          2HB       LEU  95  -4.184   9.080   3.801
  743   2HB   LEU  95          1HB       LEU  95  -4.777   8.056   2.506
  744    HG   LEU  95           HG       LEU  95  -6.999   9.475   2.926
  745   1HD1  LEU  95          1HD1      LEU  95  -6.413  11.818   3.366
  746   2HD1  LEU  95          2HD1      LEU  95  -4.761  11.324   3.733
  747   3HD1  LEU  95          3HD1      LEU  95  -6.092  10.782   4.755
  748   1HD2  LEU  95          1HD2      LEU  95  -4.632   9.844   1.195
  749   2HD2  LEU  95          2HD2      LEU  95  -5.789  11.175   1.250
  750   3HD2  LEU  95          3HD2      LEU  95  -6.320   9.564   0.769
  751    H    ILE  96           H        ILE  96  -3.966   5.903   4.109
  752    HA   ILE  96           HA       ILE  96  -5.326   4.249   2.251
  753    HB   ILE  96           HB       ILE  96  -3.559   2.560   2.782
  754   1HG1  ILE  96          2HG1      ILE  96  -1.652   3.989   4.155
  755   2HG1  ILE  96          1HG1      ILE  96  -3.128   4.425   5.008
  756   1HG2  ILE  96          1HG2      ILE  96  -2.574   5.348   2.194
  757   2HG2  ILE  96          2HG2      ILE  96  -3.274   4.232   1.022
  758   3HG2  ILE  96          3HG2      ILE  96  -1.739   3.846   1.801
  759   1HD1  ILE  96          1HD1      ILE  96  -3.255   2.441   5.995
  760   2HD1  ILE  96          2HD1      ILE  96  -1.597   2.193   5.447
  761   3HD1  ILE  96          3HD1      ILE  96  -2.943   1.576   4.488
  762    H    ALA  97           H        ALA  97  -4.903   4.106   5.759
  763    HA   ALA  97           HA       ALA  97  -6.043   1.586   6.196
  764   1HB   ALA  97          1HB       ALA  97  -6.638   2.703   8.492
  765   2HB   ALA  97          2HB       ALA  97  -5.625   4.010   7.879
  766   3HB   ALA  97          3HB       ALA  97  -4.959   2.385   8.053
  767    H    TYR  98           H        TYR  98  -7.512   4.805   6.043
  768    HA   TYR  98           HA       TYR  98 -10.122   4.056   6.748
  769   1HB   TYR  98          2HB       TYR  98  -8.975   6.422   6.359
  770   2HB   TYR  98          1HB       TYR  98  -9.699   6.246   4.764
  771    HD1  TYR  98           1HD      TYR  98 -11.449   7.784   4.735
  772    HD2  TYR  98           2HD      TYR  98 -11.027   5.196   8.085
  773    HE1  TYR  98           1HE      TYR  98 -13.598   8.587   5.619
  774    HE2  TYR  98           2HE      TYR  98 -13.175   5.990   8.977
  775    HH   TYR  98           HH       TYR  98 -15.410   7.634   7.199
  776    H    LEU  99           H        LEU  99  -8.530   4.289   3.590
  777    HA   LEU  99           HA       LEU  99 -10.739   3.705   1.984
  778   1HB   LEU  99          2HB       LEU  99  -7.819   3.684   1.690
  779   2HB   LEU  99          1HB       LEU  99  -8.646   2.561   0.629
  780    HG   LEU  99           HG       LEU  99  -9.577   5.399   0.767
  781   1HD1  LEU  99          1HD1      LEU  99  -7.514   6.075   0.196
  782   2HD1  LEU  99          2HD1      LEU  99  -7.938   5.428  -1.388
  783   3HD1  LEU  99          3HD1      LEU  99  -6.994   4.453  -0.260
  784   1HD2  LEU  99          1HD2      LEU  99 -11.017   4.319  -0.605
  785   2HD2  LEU  99          2HD2      LEU  99  -9.851   3.064  -1.026
  786   3HD2  LEU  99          3HD2      LEU  99  -9.756   4.649  -1.794
  787    H    SER 100           H        SER 100  -8.589   1.613   3.794
  788    HA   SER 100           HA       SER 100  -9.356  -0.839   2.628
  789   1HB   SER 100          2HB       SER 100  -8.192  -0.152   5.329
  790   2HB   SER 100          1HB       SER 100  -8.506  -1.811   4.824
  791    HG   SER 100           HG       SER 100  -6.386  -0.360   4.294
  792    H    HIS 101           H        HIS 101 -10.651   1.046   5.307
  793    HA   HIS 101           HA       HIS 101 -12.473  -0.881   6.265
  794   1HB   HIS 101          2HB       HIS 101 -11.693   1.637   7.053
  795   2HB   HIS 101          1HB       HIS 101 -13.348   1.909   6.517
  796    HD1  HIS 101           1HD      HIS 101 -13.964  -1.215   7.558
  797    HD2  HIS 101           2HD      HIS 101 -12.696   2.113   9.701
  798    HE1  HIS 101           1HE      HIS 101 -14.623  -1.660   9.945
  799    HE2  HIS 101           2HE      HIS 101 -13.925   0.405  11.207
  800    H    PHE 102           H        PHE 102 -12.798   1.723   3.886
  801    HA   PHE 102           HA       PHE 102 -15.558   1.305   3.381
  802   1HB   PHE 102          2HB       PHE 102 -13.350   2.760   1.970
  803   2HB   PHE 102          1HB       PHE 102 -14.894   2.528   1.159
  804    HD1  PHE 102           1HD      PHE 102 -16.958   3.043   2.891
  805    HD2  PHE 102           2HD      PHE 102 -13.085   4.805   2.947
  806    HE1  PHE 102           1HE      PHE 102 -17.872   5.001   4.067
  807    HE2  PHE 102           2HE      PHE 102 -13.991   6.767   4.125
  808    HZ   PHE 102           HZ       PHE 102 -16.387   6.866   4.687
  809    H    HIS 103           H        HIS 103 -12.599   0.045   1.950
  810    HA   HIS 103           HA       HIS 103 -13.822  -1.253  -0.251
  811   1HB   HIS 103          2HB       HIS 103 -11.424  -0.747  -0.204
  812   2HB   HIS 103          1HB       HIS 103 -11.205  -1.857   1.144
  813    HD1  HIS 103           1HD      HIS 103  -9.711  -3.536   0.003
  814    HD2  HIS 103           2HD      HIS 103 -13.216  -2.803  -2.104
  815    HE1  HIS 103           1HE      HIS 103  -9.769  -5.262  -1.825
  816    HE2  HIS 103           2HE      HIS 103 -11.855  -4.743  -3.141
  817    H    SER 104           H        SER 104 -12.851  -2.379   2.972
  818    HA   SER 104           HA       SER 104 -13.603  -5.071   2.607
  819   1HB   SER 104          2HB       SER 104 -12.282  -3.737   4.559
  820   2HB   SER 104          1HB       SER 104 -13.854  -3.943   5.334
  821    HG   SER 104           HG       SER 104 -13.541  -6.039   5.442
  822    H    ALA 105           H        ALA 105 -15.398  -2.209   3.491
  823    HA   ALA 105           HA       ALA 105 -17.711  -3.547   4.470
  824   1HB   ALA 105          1HB       ALA 105 -17.445  -0.750   3.374
  825   2HB   ALA 105          2HB       ALA 105 -17.197  -1.227   5.053
  826   3HB   ALA 105          3HB       ALA 105 -18.796  -1.372   4.323
  827    H    PHE 106           H        PHE 106 -16.707  -2.361   1.309
  828    HA   PHE 106           HA       PHE 106 -19.254  -3.066   0.109
  829   1HB   PHE 106          2HB       PHE 106 -16.800  -2.255  -1.428
  830   2HB   PHE 106          1HB       PHE 106 -18.494  -2.015  -1.848
  831    HD1  PHE 106           1HD      PHE 106 -19.299  -0.949   0.936
  832    HD2  PHE 106           2HD      PHE 106 -16.129   0.005  -1.739
  833    HE1  PHE 106           1HE      PHE 106 -19.204   1.327   1.865
  834    HE2  PHE 106           2HE      PHE 106 -16.028   2.282  -0.813
  835    HZ   PHE 106           HZ       PHE 106 -17.567   2.945   0.993
  836    H    LYS 107           H        LYS 107 -15.982  -4.301   0.308
  837    HA   LYS 107           HA       LYS 107 -16.101  -6.212  -1.738
  838   1HB   LYS 107          2HB       LYS 107 -14.039  -5.491  -0.505
  839   2HB   LYS 107          1HB       LYS 107 -14.580  -6.457   0.862
  840   1HG   LYS 107          2HG       LYS 107 -13.088  -7.861  -0.200
  841   2HG   LYS 107          1HG       LYS 107 -14.644  -8.403  -0.831
  842   1HD   LYS 107          2HD       LYS 107 -14.297  -7.350  -2.899
  843   2HD   LYS 107          1HD       LYS 107 -12.993  -6.344  -2.264
  844   1HE   LYS 107          2HE       LYS 107 -11.477  -8.120  -2.238
  845   2HE   LYS 107          1HE       LYS 107 -12.755  -9.331  -2.330
  846   1HZ   LYS 107          1HZ       LYS 107 -11.437  -8.925  -4.423
  847   2HZ   LYS 107          2HZ       LYS 107 -12.218  -7.430  -4.535
  848   3HZ   LYS 107          3HZ       LYS 107 -13.120  -8.859  -4.586
  849    H    SER 108           H        SER 108 -17.303  -6.245   1.545
  850    HA   SER 108           HA       SER 108 -18.237  -9.010   1.165
  851   1HB   SER 108          2HB       SER 108 -17.846  -7.430   3.719
  852   2HB   SER 108          1HB       SER 108 -18.491  -9.068   3.636
  853    HG   SER 108           HG       SER 108 -15.971  -8.375   2.557
  854    H    MET 109           H        MET 109 -19.296  -6.035   2.831
  855    HA   MET 109           HA       MET 109 -21.343  -5.074   3.072
  856   1HB   MET 109          2HB       MET 109 -21.179  -5.050   0.573
  857   2HB   MET 109          1HB       MET 109 -22.065  -6.568   0.546
  858   1HG   MET 109          2HG       MET 109 -23.994  -5.519   1.517
  859   2HG   MET 109          1HG       MET 109 -23.112  -4.009   1.732
  860   1HE   MET 109          1HE       MET 109 -23.355  -2.296   0.601
  861   2HE   MET 109          2HE       MET 109 -24.244  -2.053  -0.902
  862   3HE   MET 109          3HE       MET 109 -22.508  -2.353  -0.944
  Start of MODEL    2
    1   1H    MET  -8          1HT       MET  -8  19.905  -1.404   1.034
    2   2H    MET  -8          2HT       MET  -8  21.508  -1.957   1.294
    3   3H    MET  -8          3HT       MET  -8  20.471  -2.801   0.218
    4    HA   MET  -8           HA       MET  -8  21.762  -0.194  -0.105
    5   1HB   MET  -8          2HB       MET  -8  21.706  -2.849  -1.511
    6   2HB   MET  -8          1HB       MET  -8  22.196  -1.398  -2.373
    7   1HG   MET  -8          2HG       MET  -8  23.931  -1.025  -0.635
    8   2HG   MET  -8          1HG       MET  -8  23.491  -2.579   0.071
    9   1HE   MET  -8          1HE       MET  -8  26.036  -1.395  -3.276
   10   2HE   MET  -8          2HE       MET  -8  24.525  -0.613  -2.815
   11   3HE   MET  -8          3HE       MET  -8  24.542  -1.794  -4.125
   12    H    GLY  -7           H        GLY  -7  21.187   0.972  -2.077
   13   1HA   GLY  -7          2HA       GLY  -7  19.648   1.379  -3.882
   14   2HA   GLY  -7          1HA       GLY  -7  18.433   0.472  -2.994
   15    H    HIS  -6           H        HIS  -6  19.288   3.485  -3.934
   16    HA   HIS  -6           HA       HIS  -6  18.777   5.027  -1.612
   17   1HB   HIS  -6          2HB       HIS  -6  18.582   6.923  -3.146
   18   2HB   HIS  -6          1HB       HIS  -6  19.974   5.927  -3.564
   19    HD1  HIS  -6           1HD      HIS  -6  19.659   4.350  -5.698
   20    HD2  HIS  -6           2HD      HIS  -6  16.752   7.268  -5.153
   21    HE1  HIS  -6           1HE      HIS  -6  18.466   4.530  -7.903
   22    HE2  HIS  -6           2HE      HIS  -6  16.769   6.362  -7.576
   23    H    HIS  -5           H        HIS  -5  16.902   6.786  -1.892
   24    HA   HIS  -5           HA       HIS  -5  14.406   5.422  -2.606
   25   1HB   HIS  -5          2HB       HIS  -5  13.355   6.187  -0.515
   26   2HB   HIS  -5          1HB       HIS  -5  14.699   5.092  -0.203
   27    HD1  HIS  -5           1HD      HIS  -5  13.359   8.254   0.837
   28    HD2  HIS  -5           2HD      HIS  -5  17.169   6.635   0.475
   29    HE1  HIS  -5           1HE      HIS  -5  14.843   9.701   2.262
   30    HE2  HIS  -5           2HE      HIS  -5  17.158   8.756   1.957
   31    H    HIS  -4           H        HIS  -4  12.895   6.705  -3.526
   32    HA   HIS  -4           HA       HIS  -4  12.636   9.475  -3.147
   33   1HB   HIS  -4          2HB       HIS  -4  14.858   9.063  -4.594
   34   2HB   HIS  -4          1HB       HIS  -4  13.675   9.055  -5.898
   35    HD1  HIS  -4           1HD      HIS  -4  14.793  11.295  -3.046
   36    HD2  HIS  -4           2HD      HIS  -4  12.933  11.528  -6.754
   37    HE1  HIS  -4           1HE      HIS  -4  14.549  13.752  -3.523
   38    HE2  HIS  -4           2HE      HIS  -4  13.495  13.868  -5.808
   39    H    HIS  -3           H        HIS  -3  12.369   6.948  -5.634
   40    HA   HIS  -3           HA       HIS  -3   9.509   7.213  -5.684
   41   1HB   HIS  -3          2HB       HIS  -3  10.602   9.034  -7.248
   42   2HB   HIS  -3          1HB       HIS  -3  10.786   7.672  -8.348
   43    HD1  HIS  -3           1HD      HIS  -3   8.880   7.370  -9.884
   44    HD2  HIS  -3           2HD      HIS  -3   7.726   9.217  -6.345
   45    HE1  HIS  -3           1HE      HIS  -3   6.434   7.882 -10.159
   46    HE2  HIS  -3           2HE      HIS  -3   5.777   9.074  -8.039
   47    H    HIS  -2           H        HIS  -2  12.367   5.952  -7.363
   48    HA   HIS  -2           HA       HIS  -2  11.025   3.700  -8.469
   49   1HB   HIS  -2          2HB       HIS  -2  13.395   4.880  -8.984
   50   2HB   HIS  -2          1HB       HIS  -2  13.948   3.531  -7.998
   51    HD1  HIS  -2           1HD      HIS  -2  11.280   1.948  -9.418
   52    HD2  HIS  -2           2HD      HIS  -2  14.807   3.397 -11.069
   53    HE1  HIS  -2           1HE      HIS  -2  11.594   0.669 -11.560
   54    HE2  HIS  -2           2HE      HIS  -2  13.684   1.629 -12.587
   55    H    HIS  -1           H        HIS  -1   9.975   3.278  -6.264
   56    HA   HIS  -1           HA       HIS  -1  11.690   1.583  -4.586
   57   1HB   HIS  -1          2HB       HIS  -1   9.800   3.538  -3.925
   58   2HB   HIS  -1          1HB       HIS  -1   9.017   2.008  -3.546
   59    HD1  HIS  -1           1HD      HIS  -1  11.948   0.732  -2.777
   60    HD2  HIS  -1           2HD      HIS  -1  10.068   4.067  -1.163
   61    HE1  HIS  -1           1HE      HIS  -1  12.960   1.035  -0.496
   62    HE2  HIS  -1           2HE      HIS  -1  11.746   3.008   0.496
   63    H    MET   0           H        MET   0  11.111  -0.528  -4.083
   64    HA   MET   0           HA       MET   0   8.951  -1.673  -5.731
   65   1HB   MET   0          2HB       MET   0  11.587  -2.190  -6.086
   66   2HB   MET   0          1HB       MET   0  11.175  -3.445  -4.926
   67   1HG   MET   0          2HG       MET   0   9.462  -4.296  -6.390
   68   2HG   MET   0          1HG       MET   0   9.736  -2.977  -7.526
   69   1HE   MET   0          1HE       MET   0   9.417  -5.220  -8.709
   70   2HE   MET   0          2HE       MET   0  10.577  -6.549  -8.717
   71   3HE   MET   0          3HE       MET   0  10.767  -5.206  -9.846
   72    H    GLY   1           H        GLY   1   7.330  -2.369  -4.512
   73   1HA   GLY   1          2HA       GLY   1   6.791  -4.210  -2.896
   74   2HA   GLY   1          1HA       GLY   1   7.962  -3.446  -1.832
   75    H    SER   2           H        SER   2   7.346  -0.808  -2.003
   76    HA   SER   2           HA       SER   2   4.952  -0.677  -0.437
   77   1HB   SER   2          2HB       SER   2   7.244   0.822  -0.548
   78   2HB   SER   2          1HB       SER   2   6.087   1.875  -1.362
   79    HG   SER   2           HG       SER   2   4.878   1.970   0.444
   80    H    ALA   3           H        ALA   3   5.933   0.609  -3.602
   81    HA   ALA   3           HA       ALA   3   3.482   1.866  -4.200
   82   1HB   ALA   3          1HB       ALA   3   4.293   2.025  -6.460
   83   2HB   ALA   3          2HB       ALA   3   5.496   0.771  -6.159
   84   3HB   ALA   3          3HB       ALA   3   5.628   2.333  -5.350
   85    H    GLY   4           H        GLY   4   4.612  -1.426  -4.591
   86   1HA   GLY   4          2HA       GLY   4   2.739  -2.376  -6.429
   87   2HA   GLY   4          1HA       GLY   4   3.519  -3.350  -5.194
   88    H    THR   5           H        THR   5   2.317  -1.498  -3.108
   89    HA   THR   5           HA       THR   5  -0.256  -2.887  -2.973
   90    HB   THR   5           HB       THR   5  -0.118  -1.766  -0.571
   91    HG1  THR   5           1HG      THR   5   1.716  -0.601  -0.760
   92   1HG2  THR   5          1HG2      THR   5   0.515  -3.760   0.281
   93   2HG2  THR   5          2HG2      THR   5   1.849  -3.952  -0.857
   94   3HG2  THR   5          3HG2      THR   5   0.194  -4.273  -1.376
   95    H    GLN   6           H        GLN   6   1.128   0.364  -2.772
   96    HA   GLN   6           HA       GLN   6  -1.269   1.743  -2.271
   97   1HB   GLN   6          2HB       GLN   6   1.376   2.435  -2.466
   98   2HB   GLN   6          1HB       GLN   6   0.701   3.181  -3.907
   99   1HG   GLN   6          2HG       GLN   6  -0.050   4.858  -2.686
  100   2HG   GLN   6          1HG       GLN   6  -1.055   3.741  -1.764
  101   1HE2  GLN   6          1HE2      GLN   6   0.539   6.178  -1.041
  102   2HE2  GLN   6          2HE2      GLN   6   1.515   5.679   0.296
  103    H    GLU   7           H        GLU   7   0.202   0.594  -5.234
  104    HA   GLU   7           HA       GLU   7  -1.368   2.084  -7.045
  105   1HB   GLU   7          2HB       GLU   7   0.749   0.359  -7.270
  106   2HB   GLU   7          1HB       GLU   7  -0.565  -0.596  -7.943
  107   1HG   GLU   7          2HG       GLU   7   0.167   0.455  -9.821
  108   2HG   GLU   7          1HG       GLU   7  -1.049   1.611  -9.281
  109    H    GLU   8           H        GLU   8  -1.843  -1.048  -5.493
  110    HA   GLU   8           HA       GLU   8  -4.094  -1.866  -6.964
  111   1HB   GLU   8          2HB       GLU   8  -3.383  -2.514  -4.098
  112   2HB   GLU   8          1HB       GLU   8  -4.529  -3.399  -5.096
  113   1HG   GLU   8          2HG       GLU   8  -2.574  -3.786  -6.689
  114   2HG   GLU   8          1HG       GLU   8  -1.549  -3.244  -5.361
  115    H    LEU   9           H        LEU   9  -3.838  -0.082  -3.903
  116    HA   LEU   9           HA       LEU   9  -6.643   0.167  -3.530
  117   1HB   LEU   9          2HB       LEU   9  -4.265   1.592  -2.367
  118   2HB   LEU   9          1HB       LEU   9  -5.904   2.057  -1.955
  119    HG   LEU   9           HG       LEU   9  -5.775  -0.733  -1.581
  120   1HD1  LEU   9          1HD1      LEU   9  -3.322   0.701  -0.618
  121   2HD1  LEU   9          2HD1      LEU   9  -3.443  -0.832  -1.484
  122   3HD1  LEU   9          3HD1      LEU   9  -3.946  -0.729   0.204
  123   1HD2  LEU   9          1HD2      LEU   9  -5.909   1.657   0.227
  124   2HD2  LEU   9          2HD2      LEU   9  -5.916   0.016   0.867
  125   3HD2  LEU   9          3HD2      LEU   9  -7.194   0.537  -0.229
  126    H    LEU  10           H        LEU  10  -4.195   2.154  -5.086
  127    HA   LEU  10           HA       LEU  10  -5.748   4.474  -5.441
  128   1HB   LEU  10          2HB       LEU  10  -3.268   3.359  -6.630
  129   2HB   LEU  10          1HB       LEU  10  -4.088   4.611  -7.545
  130    HG   LEU  10           HG       LEU  10  -3.202   4.916  -4.676
  131   1HD1  LEU  10          1HD1      LEU  10  -1.192   4.798  -5.822
  132   2HD1  LEU  10          2HD1      LEU  10  -1.545   6.527  -5.830
  133   3HD1  LEU  10          3HD1      LEU  10  -1.856   5.555  -7.270
  134   1HD2  LEU  10          1HD2      LEU  10  -4.970   6.410  -5.055
  135   2HD2  LEU  10          2HD2      LEU  10  -4.429   6.771  -6.694
  136   3HD2  LEU  10          3HD2      LEU  10  -3.511   7.366  -5.310
  137    H    ARG  11           H        ARG  11  -5.211   1.671  -7.559
  138    HA   ARG  11           HA       ARG  11  -6.802   2.633  -9.690
  139   1HB   ARG  11          2HB       ARG  11  -6.666   0.412 -10.606
  140   2HB   ARG  11          1HB       ARG  11  -5.105   0.835  -9.920
  141   1HG   ARG  11          2HG       ARG  11  -5.151  -0.881  -8.507
  142   2HG   ARG  11          1HG       ARG  11  -6.804  -0.530  -8.006
  143   1HD   ARG  11          2HD       ARG  11  -7.719  -1.937  -9.546
  144   2HD   ARG  11          1HD       ARG  11  -6.412  -1.695 -10.703
  145    HE   ARG  11           HE       ARG  11  -6.557  -3.691  -8.633
  146   1HH1  ARG  11          1HH1      ARG  11  -4.438  -1.884 -10.736
  147   2HH1  ARG  11          2HH1      ARG  11  -3.172  -3.062 -10.679
  148   1HH2  ARG  11          1HH2      ARG  11  -4.891  -5.241  -8.554
  149   2HH2  ARG  11          2HH2      ARG  11  -3.427  -4.968  -9.441
  150    H    TRP  12           H        TRP  12  -7.541   0.843  -6.776
  151    HA   TRP  12           HA       TRP  12 -10.142   0.002  -7.523
  152   1HB   TRP  12          2HB       TRP  12  -8.752  -0.913  -5.616
  153   2HB   TRP  12          1HB       TRP  12  -9.177   0.536  -4.713
  154    HD1  TRP  12           HD       TRP  12 -10.806  -2.612  -6.220
  155    HE1  TRP  12           1HE      TRP  12 -13.014  -3.054  -4.971
  156    HE3  TRP  12           3HE      TRP  12 -10.952   1.592  -3.312
  157    HZ2  TRP  12           2HZ      TRP  12 -14.605  -1.790  -3.013
  158    HZ3  TRP  12           3HZ      TRP  12 -12.851   1.899  -1.778
  159    HH2  TRP  12           HH       TRP  12 -14.639   0.242  -1.633
  160    H    CYS  13           H        CYS  13  -8.989   2.752  -5.590
  161    HA   CYS  13           HA       CYS  13 -11.519   3.868  -5.086
  162   1HB   CYS  13          2HB       CYS  13  -8.723   4.679  -4.776
  163   2HB   CYS  13          1HB       CYS  13  -9.807   6.030  -5.088
  164    HG   CYS  13           HG       CYS  13 -10.725   5.829  -2.818
  165    H    GLN  14           H        GLN  14  -9.144   4.522  -7.641
  166    HA   GLN  14           HA       GLN  14 -10.522   6.621  -8.884
  167   1HB   GLN  14          2HB       GLN  14  -8.141   5.950  -9.305
  168   2HB   GLN  14          1HB       GLN  14  -8.745   4.596 -10.252
  169   1HG   GLN  14          2HG       GLN  14 -10.008   6.946 -11.200
  170   2HG   GLN  14          1HG       GLN  14  -8.280   7.274 -11.064
  171   1HE2  GLN  14          1HE2      GLN  14 -10.497   4.758 -12.222
  172   2HE2  GLN  14          2HE2      GLN  14  -9.582   4.360 -13.632
  173    H    GLU  15           H        GLU  15 -10.654   3.118  -9.434
  174    HA   GLU  15           HA       GLU  15 -12.424   3.231 -11.637
  175   1HB   GLU  15          2HB       GLU  15 -11.014   1.260 -11.019
  176   2HB   GLU  15          1HB       GLU  15 -12.090   0.971  -9.659
  177   1HG   GLU  15          2HG       GLU  15 -13.207  -0.365 -11.038
  178   2HG   GLU  15          1HG       GLU  15 -13.832   1.116 -11.762
  179    H    GLN  16           H        GLN  16 -12.960   2.748  -8.166
  180    HA   GLN  16           HA       GLN  16 -15.787   2.503  -8.386
  181   1HB   GLN  16          2HB       GLN  16 -13.849   2.865  -6.141
  182   2HB   GLN  16          1HB       GLN  16 -15.556   3.149  -5.834
  183   1HG   GLN  16          2HG       GLN  16 -15.505   0.737  -7.192
  184   2HG   GLN  16          1HG       GLN  16 -14.114   0.663  -6.112
  185   1HE2  GLN  16          1HE2      GLN  16 -16.102  -1.086  -5.711
  186   2HE2  GLN  16          2HE2      GLN  16 -17.003  -0.683  -4.293
  187    H    THR  17           H        THR  17 -13.591   5.185  -8.086
  188    HA   THR  17           HA       THR  17 -15.709   7.064  -7.448
  189    HB   THR  17           HB       THR  17 -12.785   7.548  -8.041
  190    HG1  THR  17           1HG      THR  17 -14.203   7.161  -5.627
  191   1HG2  THR  17          1HG2      THR  17 -14.955   9.381  -7.631
  192   2HG2  THR  17          2HG2      THR  17 -13.268   9.703  -8.028
  193   3HG2  THR  17          3HG2      THR  17 -13.759   9.526  -6.344
  194    H    ALA  18           H        ALA  18 -15.063   5.524 -10.179
  195    HA   ALA  18           HA       ALA  18 -14.934   7.758 -12.012
  196   1HB   ALA  18          1HB       ALA  18 -14.085   5.213 -12.219
  197   2HB   ALA  18          2HB       ALA  18 -14.434   6.242 -13.608
  198   3HB   ALA  18          3HB       ALA  18 -15.640   5.086 -13.042
  199    H    GLY  19           H        GLY  19 -16.575   8.557 -13.265
  200   1HA   GLY  19          2HA       GLY  19 -18.860   7.926 -14.204
  201   2HA   GLY  19          1HA       GLY  19 -19.286   7.662 -12.520
  202    H    TYR  20           H        TYR  20 -17.545  10.007 -11.761
  203    HA   TYR  20           HA       TYR  20 -19.614  12.010 -12.089
  204   1HB   TYR  20          2HB       TYR  20 -16.998  12.289 -10.602
  205   2HB   TYR  20          1HB       TYR  20 -18.454  13.259 -10.402
  206    HD1  TYR  20           1HD      TYR  20 -20.150  12.600  -8.896
  207    HD2  TYR  20           2HD      TYR  20 -17.047   9.867  -9.894
  208    HE1  TYR  20           1HE      TYR  20 -20.917  11.089  -7.116
  209    HE2  TYR  20           2HE      TYR  20 -17.805   8.348  -8.117
  210    HH   TYR  20           HH       TYR  20 -20.761   8.564  -6.652
  211    HA   PRO  21           HA       PRO  21 -17.659  14.176 -15.408
  212   1HB   PRO  21          2HB       PRO  21 -18.647  16.673 -14.995
  213   2HB   PRO  21          1HB       PRO  21 -19.620  15.351 -15.648
  214   1HG   PRO  21          2HG       PRO  21 -19.485  16.399 -12.847
  215   2HG   PRO  21          1HG       PRO  21 -20.906  15.928 -13.798
  216   1HD   PRO  21          2HD       PRO  21 -19.814  14.313 -11.925
  217   2HD   PRO  21          1HD       PRO  21 -20.589  13.680 -13.391
  218    H    GLY  22           H        GLY  22 -15.695  13.736 -13.761
  219   1HA   GLY  22          2HA       GLY  22 -13.789  15.575 -14.020
  220   2HA   GLY  22          1HA       GLY  22 -14.664  16.216 -12.637
  221    H    VAL  23           H        VAL  23 -14.084  12.814 -13.411
  222    HA   VAL  23           HA       VAL  23 -12.934  12.445 -10.769
  223    HB   VAL  23           HB       VAL  23 -13.476  10.366 -12.893
  224   1HG1  VAL  23          1HG1      VAL  23 -12.938  10.129  -9.935
  225   2HG1  VAL  23          2HG1      VAL  23 -11.871   9.618 -11.244
  226   3HG1  VAL  23          3HG1      VAL  23 -13.412   8.798 -10.989
  227   1HG2  VAL  23          1HG2      VAL  23 -15.608  10.101 -12.132
  228   2HG2  VAL  23          2HG2      VAL  23 -15.418  11.829 -11.833
  229   3HG2  VAL  23          3HG2      VAL  23 -15.221  10.678 -10.511
  230    H    HIS  24           H        HIS  24 -10.842  12.507 -10.411
  231    HA   HIS  24           HA       HIS  24  -8.976  11.485 -12.410
  232   1HB   HIS  24          2HB       HIS  24  -9.389  14.169 -12.314
  233   2HB   HIS  24          1HB       HIS  24  -8.100  14.000 -11.126
  234    HD1  HIS  24           1HD      HIS  24  -7.886  15.357 -14.018
  235    HD2  HIS  24           2HD      HIS  24  -6.529  11.582 -12.935
  236    HE1  HIS  24           1HE      HIS  24  -6.080  14.791 -15.673
  237    HE2  HIS  24           2HE      HIS  24  -5.223  12.534 -14.954
  238    H    VAL  25           H        VAL  25  -9.842  10.359  -9.982
  239    HA   VAL  25           HA       VAL  25  -8.102  10.888  -7.822
  240    HB   VAL  25           HB       VAL  25  -9.482   8.266  -8.397
  241   1HG1  VAL  25          1HG1      VAL  25  -9.571   8.572  -5.732
  242   2HG1  VAL  25          2HG1      VAL  25  -8.076   9.438  -6.083
  243   3HG1  VAL  25          3HG1      VAL  25  -8.254   7.752  -6.570
  244   1HG2  VAL  25          1HG2      VAL  25 -11.255   9.285  -6.841
  245   2HG2  VAL  25          2HG2      VAL  25 -11.232   9.804  -8.527
  246   3HG2  VAL  25          3HG2      VAL  25 -10.541  10.837  -7.276
  247    H    SER  26           H        SER  26  -5.957  10.877  -8.337
  248    HA   SER  26           HA       SER  26  -4.782   8.264  -8.844
  249   1HB   SER  26          2HB       SER  26  -4.334  10.678 -10.602
  250   2HB   SER  26          1HB       SER  26  -3.215   9.316 -10.550
  251    HG   SER  26           HG       SER  26  -5.981   9.080 -11.128
  252    H    ASP  27           H        ASP  27  -4.980  10.375  -6.686
  253    HA   ASP  27           HA       ASP  27  -2.128  10.390  -6.027
  254   1HB   ASP  27          2HB       ASP  27  -3.872  12.796  -5.500
  255   2HB   ASP  27          1HB       ASP  27  -2.124  12.670  -5.340
  256    H    LEU  28           H        LEU  28  -1.672  10.258  -3.814
  257    HA   LEU  28           HA       LEU  28  -3.949   9.383  -2.192
  258   1HB   LEU  28          2HB       LEU  28  -0.988   9.039  -1.712
  259   2HB   LEU  28          1HB       LEU  28  -2.271   8.358  -0.730
  260    HG   LEU  28           HG       LEU  28  -2.800   7.470  -3.335
  261   1HD1  LEU  28          1HD1      LEU  28   0.131   7.252  -2.674
  262   2HD1  LEU  28          2HD1      LEU  28  -0.585   8.090  -4.050
  263   3HD1  LEU  28          3HD1      LEU  28  -0.693   6.335  -3.934
  264   1HD2  LEU  28          1HD2      LEU  28  -1.450   6.020  -1.062
  265   2HD2  LEU  28          2HD2      LEU  28  -2.312   5.280  -2.411
  266   3HD2  LEU  28          3HD2      LEU  28  -3.188   6.258  -1.234
  267    H    SER  29           H        SER  29  -3.672  12.155  -2.595
  268    HA   SER  29           HA       SER  29  -3.731  13.059   0.093
  269   1HB   SER  29          2HB       SER  29  -1.252  13.546  -1.502
  270   2HB   SER  29          1HB       SER  29  -1.825  14.818  -0.424
  271    HG   SER  29           HG       SER  29  -1.801  13.233   1.266
  272    H    SER  30           H        SER  30  -2.563  14.882  -2.713
  273    HA   SER  30           HA       SER  30  -4.352  16.994  -2.403
  274   1HB   SER  30          2HB       SER  30  -2.402  17.376  -3.701
  275   2HB   SER  30          1HB       SER  30  -2.773  16.038  -4.790
  276    HG   SER  30           HG       SER  30  -3.513  18.603  -4.972
  277    H    SER  31           H        SER  31  -4.813  13.907  -3.897
  278    HA   SER  31           HA       SER  31  -6.977  14.606  -5.595
  279   1HB   SER  31          2HB       SER  31  -5.766  12.546  -5.979
  280   2HB   SER  31          1HB       SER  31  -6.197  11.950  -4.377
  281    HG   SER  31           HG       SER  31  -7.940  12.435  -6.561
  282    H    TRP  32           H        TRP  32  -6.737  13.737  -2.215
  283    HA   TRP  32           HA       TRP  32  -9.640  13.605  -1.956
  284   1HB   TRP  32          2HB       TRP  32  -7.555  13.252   0.202
  285   2HB   TRP  32          1HB       TRP  32  -9.256  12.801   0.282
  286    HD1  TRP  32           HD       TRP  32  -6.174  11.855  -1.896
  287    HE1  TRP  32           1HE      TRP  32  -6.314   9.334  -2.399
  288    HE3  TRP  32           3HE      TRP  32 -10.607  10.806   0.428
  289    HZ2  TRP  32           2HZ      TRP  32  -8.070   7.186  -1.880
  290    HZ3  TRP  32           3HZ      TRP  32 -11.446   8.493   0.379
  291    HH2  TRP  32           HH       TRP  32 -10.202   6.722  -0.752
  292    H    ALA  33           H        ALA  33  -7.821  16.110  -2.366
  293    HA   ALA  33           HA       ALA  33  -7.915  17.727  -0.110
  294   1HB   ALA  33          1HB       ALA  33  -8.277  19.531  -2.116
  295   2HB   ALA  33          2HB       ALA  33  -7.625  18.148  -2.995
  296   3HB   ALA  33          3HB       ALA  33  -6.723  18.841  -1.647
  297    H    ASP  34           H        ASP  34 -10.281  17.638  -2.788
  298    HA   ASP  34           HA       ASP  34 -12.172  19.152  -1.195
  299   1HB   ASP  34          2HB       ASP  34 -13.631  18.904  -3.254
  300   2HB   ASP  34          1HB       ASP  34 -12.116  19.768  -3.492
  301    H    GLY  35           H        GLY  35 -11.315  15.993  -1.199
  302   1HA   GLY  35          2HA       GLY  35 -12.313  14.143  -0.274
  303   2HA   GLY  35          1HA       GLY  35 -13.656  15.178   0.189
  304    H    LEU  36           H        LEU  36 -12.494  14.635  -3.097
  305    HA   LEU  36           HA       LEU  36 -15.136  13.991  -3.987
  306   1HB   LEU  36          2HB       LEU  36 -12.611  14.695  -5.174
  307   2HB   LEU  36          1HB       LEU  36 -13.283  13.301  -5.997
  308    HG   LEU  36           HG       LEU  36 -13.912  15.428  -7.066
  309   1HD1  LEU  36          1HD1      LEU  36 -15.452  13.261  -6.701
  310   2HD1  LEU  36          2HD1      LEU  36 -15.950  14.660  -7.652
  311   3HD1  LEU  36          3HD1      LEU  36 -16.490  14.493  -5.982
  312   1HD2  LEU  36          1HD2      LEU  36 -15.872  16.547  -5.581
  313   2HD2  LEU  36          2HD2      LEU  36 -14.205  17.122  -5.613
  314   3HD2  LEU  36          3HD2      LEU  36 -14.747  16.056  -4.316
  315    H    ALA  37           H        ALA  37 -12.202  12.165  -3.324
  316    HA   ALA  37           HA       ALA  37 -13.083   9.715  -4.447
  317   1HB   ALA  37          1HB       ALA  37 -10.784   9.849  -4.186
  318   2HB   ALA  37          2HB       ALA  37 -11.263   8.777  -2.869
  319   3HB   ALA  37          3HB       ALA  37 -10.904  10.473  -2.541
  320    H    LEU  38           H        LEU  38 -13.068  10.950  -1.110
  321    HA   LEU  38           HA       LEU  38 -14.174   8.648   0.075
  322   1HB   LEU  38          2HB       LEU  38 -13.011  10.483   1.288
  323   2HB   LEU  38          1HB       LEU  38 -14.411  11.503   1.021
  324    HG   LEU  38           HG       LEU  38 -15.738   9.676   2.262
  325   1HD1  LEU  38          1HD1      LEU  38 -13.812   8.051   2.132
  326   2HD1  LEU  38          2HD1      LEU  38 -14.553   8.243   3.720
  327   3HD1  LEU  38          3HD1      LEU  38 -13.015   9.030   3.364
  328   1HD2  LEU  38          1HD2      LEU  38 -15.440  10.794   4.290
  329   2HD2  LEU  38          2HD2      LEU  38 -14.997  11.991   3.073
  330   3HD2  LEU  38          3HD2      LEU  38 -13.741  11.130   3.963
  331    H    CYS  39           H        CYS  39 -15.701  11.640  -1.090
  332    HA   CYS  39           HA       CYS  39 -18.335  10.850  -0.361
  333   1HB   CYS  39          2HB       CYS  39 -17.439  12.908  -2.389
  334   2HB   CYS  39          1HB       CYS  39 -19.069  12.745  -1.742
  335    HG   CYS  39           HG       CYS  39 -17.003  14.408  -0.521
  336    H    ALA  40           H        ALA  40 -16.437  10.616  -3.329
  337    HA   ALA  40           HA       ALA  40 -18.438   9.813  -5.092
  338   1HB   ALA  40          1HB       ALA  40 -16.267  10.389  -5.918
  339   2HB   ALA  40          2HB       ALA  40 -16.593   8.713  -6.362
  340   3HB   ALA  40          3HB       ALA  40 -15.518   9.076  -5.013
  341    H    LEU  41           H        LEU  41 -16.526   7.921  -2.801
  342    HA   LEU  41           HA       LEU  41 -17.506   5.387  -3.641
  343   1HB   LEU  41          2HB       LEU  41 -16.223   6.279  -1.060
  344   2HB   LEU  41          1HB       LEU  41 -16.599   4.609  -1.438
  345    HG   LEU  41           HG       LEU  41 -14.716   6.342  -3.038
  346   1HD1  LEU  41          1HD1      LEU  41 -13.968   4.067  -1.225
  347   2HD1  LEU  41          2HD1      LEU  41 -14.005   5.741  -0.673
  348   3HD1  LEU  41          3HD1      LEU  41 -12.917   5.267  -1.976
  349   1HD2  LEU  41          1HD2      LEU  41 -14.035   4.090  -3.950
  350   2HD2  LEU  41          2HD2      LEU  41 -15.619   4.677  -4.453
  351   3HD2  LEU  41          3HD2      LEU  41 -15.494   3.441  -3.202
  352    H    VAL  42           H        VAL  42 -18.276   7.451  -0.839
  353    HA   VAL  42           HA       VAL  42 -20.316   5.855   0.217
  354    HB   VAL  42           HB       VAL  42 -20.238   8.869   0.358
  355   1HG1  VAL  42          1HG1      VAL  42 -21.719   6.737   1.742
  356   2HG1  VAL  42          2HG1      VAL  42 -22.146   8.426   1.468
  357   3HG1  VAL  42          3HG1      VAL  42 -21.050   7.996   2.782
  358   1HG2  VAL  42          1HG2      VAL  42 -18.396   8.815   1.606
  359   2HG2  VAL  42          2HG2      VAL  42 -18.196   7.128   1.131
  360   3HG2  VAL  42          3HG2      VAL  42 -19.050   7.529   2.620
  361    H    TYR  43           H        TYR  43 -20.361   8.311  -2.295
  362    HA   TYR  43           HA       TYR  43 -23.167   8.539  -2.531
  363   1HB   TYR  43          2HB       TYR  43 -21.471  10.157  -3.448
  364   2HB   TYR  43          1HB       TYR  43 -21.127   8.986  -4.715
  365    HD1  TYR  43           1HD      TYR  43 -23.423  11.523  -3.522
  366    HD2  TYR  43           2HD      TYR  43 -22.869   8.437  -6.397
  367    HE1  TYR  43           1HE      TYR  43 -25.267  12.448  -4.862
  368    HE2  TYR  43           2HE      TYR  43 -24.711   9.352  -7.745
  369    HH   TYR  43           HH       TYR  43 -26.101  12.429  -7.111
  370    H    ARG  44           H        ARG  44 -20.790   6.414  -4.031
  371    HA   ARG  44           HA       ARG  44 -22.469   5.276  -5.979
  372   1HB   ARG  44          2HB       ARG  44 -19.843   5.068  -5.438
  373   2HB   ARG  44          1HB       ARG  44 -20.396   3.557  -4.732
  374   1HG   ARG  44          2HG       ARG  44 -19.838   2.959  -6.895
  375   2HG   ARG  44          1HG       ARG  44 -21.585   3.190  -6.986
  376   1HD   ARG  44          2HD       ARG  44 -19.639   5.384  -7.644
  377   2HD   ARG  44          1HD       ARG  44 -20.174   4.211  -8.847
  378    HE   ARG  44           HE       ARG  44 -21.683   6.407  -7.777
  379   1HH1  ARG  44          1HH1      ARG  44 -21.888   3.267  -9.283
  380   2HH1  ARG  44          2HH1      ARG  44 -23.472   3.540  -9.926
  381   1HH2  ARG  44          1HH2      ARG  44 -23.767   6.769  -8.621
  382   2HH2  ARG  44          2HH2      ARG  44 -24.540   5.528  -9.551
  383    H    LEU  45           H        LEU  45 -21.784   4.365  -2.629
  384    HA   LEU  45           HA       LEU  45 -23.534   2.073  -2.737
  385   1HB   LEU  45          2HB       LEU  45 -21.938   3.416  -0.578
  386   2HB   LEU  45          1HB       LEU  45 -23.136   2.200  -0.172
  387    HG   LEU  45           HG       LEU  45 -20.823   1.310  -0.318
  388   1HD1  LEU  45          1HD1      LEU  45 -22.750   0.222  -2.366
  389   2HD1  LEU  45          2HD1      LEU  45 -22.743  -0.157  -0.643
  390   3HD1  LEU  45          3HD1      LEU  45 -21.388  -0.649  -1.660
  391   1HD2  LEU  45          1HD2      LEU  45 -19.810   1.030  -2.532
  392   2HD2  LEU  45          2HD2      LEU  45 -19.987   2.731  -2.104
  393   3HD2  LEU  45          3HD2      LEU  45 -21.110   1.986  -3.242
  394    H    GLN  46           H        GLN  46 -23.658   5.387  -1.605
  395    HA   GLN  46           HA       GLN  46 -26.561   5.164  -1.344
  396   1HB   GLN  46          2HB       GLN  46 -24.746   6.311   0.784
  397   2HB   GLN  46          1HB       GLN  46 -26.496   6.483   0.768
  398   1HG   GLN  46          2HG       GLN  46 -26.787   4.487   1.680
  399   2HG   GLN  46          1HG       GLN  46 -25.715   3.720   0.512
  400   1HE2  GLN  46          1HE2      GLN  46 -26.174   4.288   3.698
  401   2HE2  GLN  46          2HE2      GLN  46 -24.550   4.133   4.265
  402    HA   PRO  47           HA       PRO  47 -25.438   8.835  -3.857
  403   1HB   PRO  47          2HB       PRO  47 -27.848   8.920  -5.146
  404   2HB   PRO  47          1HB       PRO  47 -26.478   7.945  -5.685
  405   1HG   PRO  47          2HG       PRO  47 -28.886   7.124  -4.112
  406   2HG   PRO  47          1HG       PRO  47 -28.073   6.277  -5.441
  407   1HD   PRO  47          2HD       PRO  47 -27.705   5.580  -2.866
  408   2HD   PRO  47          1HD       PRO  47 -26.402   5.461  -4.067
  409    H    GLY  48           H        GLY  48 -28.688   8.304  -2.519
  410   1HA   GLY  48          2HA       GLY  48 -29.332  11.024  -2.205
  411   2HA   GLY  48          1HA       GLY  48 -30.097   9.693  -1.351
  412    H    LEU  49           H        LEU  49 -27.225   9.020  -0.392
  413    HA   LEU  49           HA       LEU  49 -27.432  10.030   2.176
  414   1HB   LEU  49          2HB       LEU  49 -25.761   8.295   0.879
  415   2HB   LEU  49          1HB       LEU  49 -24.675   9.616   1.258
  416    HG   LEU  49           HG       LEU  49 -26.340   8.072   3.246
  417   1HD1  LEU  49          1HD1      LEU  49 -24.659   6.633   3.336
  418   2HD1  LEU  49          2HD1      LEU  49 -23.556   7.943   3.754
  419   3HD1  LEU  49          3HD1      LEU  49 -23.818   7.517   2.062
  420   1HD2  LEU  49          1HD2      LEU  49 -24.918  10.620   3.404
  421   2HD2  LEU  49          2HD2      LEU  49 -24.458   9.466   4.654
  422   3HD2  LEU  49          3HD2      LEU  49 -26.148   9.937   4.468
  423    H    LEU  50           H        LEU  50 -24.951  11.104  -0.169
  424    HA   LEU  50           HA       LEU  50 -25.288  13.837   0.856
  425   1HB   LEU  50          2HB       LEU  50 -22.556  12.768   0.253
  426   2HB   LEU  50          1HB       LEU  50 -23.004  14.170   1.205
  427    HG   LEU  50           HG       LEU  50 -24.112  12.253   2.724
  428   1HD1  LEU  50          1HD1      LEU  50 -23.106  10.217   2.642
  429   2HD1  LEU  50          2HD1      LEU  50 -21.599  10.863   1.991
  430   3HD1  LEU  50          3HD1      LEU  50 -22.993  10.643   0.934
  431   1HD2  LEU  50          1HD2      LEU  50 -21.567  12.238   3.698
  432   2HD2  LEU  50          2HD2      LEU  50 -22.756  13.507   3.991
  433   3HD2  LEU  50          3HD2      LEU  50 -21.565  13.695   2.704
  434    H    GLU  51           H        GLU  51 -24.467  15.503  -0.556
  435    HA   GLU  51           HA       GLU  51 -24.531  14.683  -3.380
  436   1HB   GLU  51          2HB       GLU  51 -25.054  17.445  -2.283
  437   2HB   GLU  51          1HB       GLU  51 -25.388  16.857  -3.906
  438   1HG   GLU  51          2HG       GLU  51 -26.722  15.264  -1.896
  439   2HG   GLU  51          1HG       GLU  51 -27.153  16.970  -1.776
  440    HA   PRO  52           HA       PRO  52 -20.082  15.784  -2.563
  441   1HB   PRO  52          2HB       PRO  52 -19.379  14.487  -4.951
  442   2HB   PRO  52          1HB       PRO  52 -19.258  13.817  -3.324
  443   1HG   PRO  52          2HG       PRO  52 -21.377  13.435  -5.379
  444   2HG   PRO  52          1HG       PRO  52 -20.746  12.288  -4.184
  445   1HD   PRO  52          2HD       PRO  52 -23.126  13.466  -3.861
  446   2HD   PRO  52          1HD       PRO  52 -22.059  13.156  -2.476
  447    H    SER  53           H        SER  53 -22.110  16.062  -5.425
  448    HA   SER  53           HA       SER  53 -20.506  17.652  -7.026
  449   1HB   SER  53          2HB       SER  53 -23.099  16.715  -7.147
  450   2HB   SER  53          1HB       SER  53 -23.318  18.463  -7.067
  451    HG   SER  53           HG       SER  53 -22.122  16.899  -9.042
  452    H    GLU  54           H        GLU  54 -22.816  18.667  -4.542
  453    HA   GLU  54           HA       GLU  54 -22.271  21.444  -4.842
  454   1HB   GLU  54          2HB       GLU  54 -23.825  19.758  -2.954
  455   2HB   GLU  54          1HB       GLU  54 -23.367  21.367  -2.407
  456   1HG   GLU  54          2HG       GLU  54 -25.010  22.273  -3.571
  457   2HG   GLU  54          1HG       GLU  54 -24.405  21.546  -5.057
  458    H    LEU  55           H        LEU  55 -21.312  19.061  -2.371
  459    HA   LEU  55           HA       LEU  55 -19.688  20.896  -0.926
  460   1HB   LEU  55          2HB       LEU  55 -19.524  17.887  -0.892
  461   2HB   LEU  55          1HB       LEU  55 -18.958  18.991   0.348
  462    HG   LEU  55           HG       LEU  55 -21.847  18.546  -0.412
  463   1HD1  LEU  55          1HD1      LEU  55 -22.081  17.193   1.431
  464   2HD1  LEU  55          2HD1      LEU  55 -20.650  17.848   2.229
  465   3HD1  LEU  55          3HD1      LEU  55 -20.471  16.739   0.870
  466   1HD2  LEU  55          1HD2      LEU  55 -21.439  20.823   0.349
  467   2HD2  LEU  55          2HD2      LEU  55 -20.615  20.209   1.783
  468   3HD2  LEU  55          3HD2      LEU  55 -22.339  19.911   1.561
  469    H    GLN  56           H        GLN  56 -19.189  19.354  -3.872
  470    HA   GLN  56           HA       GLN  56 -16.478  18.679  -3.767
  471   1HB   GLN  56          2HB       GLN  56 -17.732  17.897  -5.616
  472   2HB   GLN  56          1HB       GLN  56 -18.282  19.515  -6.026
  473   1HG   GLN  56          2HG       GLN  56 -16.032  20.116  -6.731
  474   2HG   GLN  56          1HG       GLN  56 -15.455  18.511  -6.285
  475   1HE2  GLN  56          1HE2      GLN  56 -18.058  19.966  -8.214
  476   2HE2  GLN  56          2HE2      GLN  56 -17.890  18.897  -9.560
  477    H    GLY  57           H        GLY  57 -18.059  21.750  -4.479
  478   1HA   GLY  57          2HA       GLY  57 -15.382  23.004  -4.479
  479   2HA   GLY  57          1HA       GLY  57 -16.738  23.612  -5.418
  480    H    LEU  58           H        LEU  58 -18.446  22.899  -2.932
  481    HA   LEU  58           HA       LEU  58 -18.696  25.463  -1.906
  482   1HB   LEU  58          2HB       LEU  58 -19.771  22.847  -1.338
  483   2HB   LEU  58          1HB       LEU  58 -19.485  23.724   0.152
  484    HG   LEU  58           HG       LEU  58 -20.741  25.655  -1.156
  485   1HD1  LEU  58          1HD1      LEU  58 -22.345  24.952  -2.697
  486   2HD1  LEU  58          2HD1      LEU  58 -22.132  23.252  -2.282
  487   3HD1  LEU  58          3HD1      LEU  58 -20.878  24.103  -3.184
  488   1HD2  LEU  58          1HD2      LEU  58 -21.321  24.141   0.952
  489   2HD2  LEU  58          2HD2      LEU  58 -22.555  23.538  -0.154
  490   3HD2  LEU  58          3HD2      LEU  58 -22.487  25.255   0.242
  491    H    GLY  59           H        GLY  59 -16.577  22.851  -0.942
  492   1HA   GLY  59          2HA       GLY  59 -14.708  24.479   0.315
  493   2HA   GLY  59          1HA       GLY  59 -15.811  23.935   1.571
  494    H    ALA  60           H        ALA  60 -12.889  23.357   0.582
  495    HA   ALA  60           HA       ALA  60 -12.719  20.639  -0.064
  496   1HB   ALA  60          1HB       ALA  60 -10.396  20.782   0.584
  497   2HB   ALA  60          2HB       ALA  60 -10.705  22.268   1.482
  498   3HB   ALA  60          3HB       ALA  60 -10.858  22.251  -0.275
  499    H    LEU  61           H        LEU  61 -11.964  22.087   3.108
  500    HA   LEU  61           HA       LEU  61 -11.997  19.654   4.507
  501   1HB   LEU  61          2HB       LEU  61 -10.927  21.742   5.307
  502   2HB   LEU  61          1HB       LEU  61 -12.517  22.425   5.585
  503    HG   LEU  61           HG       LEU  61 -11.969  19.848   6.927
  504   1HD1  LEU  61          1HD1      LEU  61 -10.720  20.920   8.739
  505   2HD1  LEU  61          2HD1      LEU  61 -10.639  22.409   7.797
  506   3HD1  LEU  61          3HD1      LEU  61  -9.826  20.954   7.220
  507   1HD2  LEU  61          1HD2      LEU  61 -13.083  21.140   8.793
  508   2HD2  LEU  61          2HD2      LEU  61 -14.060  20.867   7.351
  509   3HD2  LEU  61          3HD2      LEU  61 -13.319  22.442   7.629
  510    H    GLU  62           H        GLU  62 -14.520  22.018   3.846
  511    HA   GLU  62           HA       GLU  62 -16.480  21.067   5.598
  512   1HB   GLU  62          2HB       GLU  62 -16.432  22.732   3.155
  513   2HB   GLU  62          1HB       GLU  62 -17.976  21.982   3.534
  514   1HG   GLU  62          2HG       GLU  62 -18.077  24.058   4.570
  515   2HG   GLU  62          1HG       GLU  62 -17.669  22.947   5.877
  516    H    ALA  63           H        ALA  63 -15.781  20.161   2.235
  517    HA   ALA  63           HA       ALA  63 -17.920  18.354   1.928
  518   1HB   ALA  63          1HB       ALA  63 -16.134  19.388   0.231
  519   2HB   ALA  63          2HB       ALA  63 -17.061  17.930  -0.124
  520   3HB   ALA  63          3HB       ALA  63 -15.406  17.800   0.473
  521    H    THR  64           H        THR  64 -14.564  17.877   2.965
  522    HA   THR  64           HA       THR  64 -14.720  15.062   3.192
  523    HB   THR  64           HB       THR  64 -12.853  16.535   4.965
  524    HG1  THR  64           1HG      THR  64 -12.569  16.617   2.147
  525   1HG2  THR  64          1HG2      THR  64 -11.553  14.910   3.054
  526   2HG2  THR  64          2HG2      THR  64 -12.939  14.014   3.676
  527   3HG2  THR  64          3HG2      THR  64 -11.727  14.648   4.790
  528    H    ALA  65           H        ALA  65 -14.918  17.639   5.644
  529    HA   ALA  65           HA       ALA  65 -15.326  15.983   7.860
  530   1HB   ALA  65          1HB       ALA  65 -16.429  18.764   7.512
  531   2HB   ALA  65          2HB       ALA  65 -14.752  18.408   7.926
  532   3HB   ALA  65          3HB       ALA  65 -16.051  17.941   9.025
  533    H    TRP  66           H        TRP  66 -17.674  17.494   5.668
  534    HA   TRP  66           HA       TRP  66 -19.972  16.601   7.055
  535   1HB   TRP  66          2HB       TRP  66 -19.654  18.403   5.139
  536   2HB   TRP  66          1HB       TRP  66 -20.054  17.037   4.102
  537    HD1  TRP  66           HD       TRP  66 -21.575  19.228   6.870
  538    HE1  TRP  66           1HE      TRP  66 -24.137  19.012   6.761
  539    HE3  TRP  66           3HE      TRP  66 -21.933  15.550   3.337
  540    HZ2  TRP  66           2HZ      TRP  66 -26.056  17.485   5.364
  541    HZ3  TRP  66           3HZ      TRP  66 -24.168  14.768   2.672
  542    HH2  TRP  66           HH       TRP  66 -26.187  15.716   3.665
  543    H    ALA  67           H        ALA  67 -18.036  15.227   4.459
  544    HA   ALA  67           HA       ALA  67 -19.791  13.068   3.882
  545   1HB   ALA  67          1HB       ALA  67 -18.168  12.316   2.405
  546   2HB   ALA  67          2HB       ALA  67 -16.844  12.972   3.369
  547   3HB   ALA  67          3HB       ALA  67 -17.888  14.057   2.451
  548    H    LEU  68           H        LEU  68 -16.923  13.397   5.935
  549    HA   LEU  68           HA       LEU  68 -16.785  10.666   6.673
  550   1HB   LEU  68          2HB       LEU  68 -15.703  13.138   8.019
  551   2HB   LEU  68          1HB       LEU  68 -15.318  11.499   8.512
  552    HG   LEU  68           HG       LEU  68 -14.792  12.350   5.692
  553   1HD1  LEU  68          1HD1      LEU  68 -12.387  12.747   6.789
  554   2HD1  LEU  68          2HD1      LEU  68 -13.403  13.296   8.121
  555   3HD1  LEU  68          3HD1      LEU  68 -13.552  14.044   6.531
  556   1HD2  LEU  68          1HD2      LEU  68 -14.576   9.990   6.321
  557   2HD2  LEU  68          2HD2      LEU  68 -13.410  10.435   7.568
  558   3HD2  LEU  68          3HD2      LEU  68 -13.022  10.691   5.867
  559    H    LYS  69           H        LYS  69 -18.266  13.497   8.226
  560    HA   LYS  69           HA       LYS  69 -19.061  12.116  10.572
  561   1HB   LYS  69          2HB       LYS  69 -18.983  14.739   9.807
  562   2HB   LYS  69          1HB       LYS  69 -20.712  14.416   9.777
  563   1HG   LYS  69          2HG       LYS  69 -20.227  13.365  12.135
  564   2HG   LYS  69          1HG       LYS  69 -18.822  14.431  12.072
  565   1HD   LYS  69          2HD       LYS  69 -20.547  16.247  11.392
  566   2HD   LYS  69          1HD       LYS  69 -21.733  15.132  12.074
  567   1HE   LYS  69          2HE       LYS  69 -21.243  16.399  13.920
  568   2HE   LYS  69          1HE       LYS  69 -20.067  15.097  14.100
  569   1HZ   LYS  69          1HZ       LYS  69 -18.677  16.812  12.621
  570   2HZ   LYS  69          2HZ       LYS  69 -18.653  16.817  14.313
  571   3HZ   LYS  69          3HZ       LYS  69 -19.647  17.902  13.478
  572    H    VAL  70           H        VAL  70 -20.851  13.040   7.632
  573    HA   VAL  70           HA       VAL  70 -23.290  11.843   8.460
  574    HB   VAL  70           HB       VAL  70 -22.398  12.431   5.634
  575   1HG1  VAL  70          1HG1      VAL  70 -24.595  11.038   6.441
  576   2HG1  VAL  70          2HG1      VAL  70 -24.478  11.955   4.938
  577   3HG1  VAL  70          3HG1      VAL  70 -25.226  12.684   6.360
  578   1HG2  VAL  70          1HG2      VAL  70 -23.137  14.613   5.848
  579   2HG2  VAL  70          2HG2      VAL  70 -22.356  14.330   7.404
  580   3HG2  VAL  70          3HG2      VAL  70 -24.112  14.252   7.272
  581    H    ALA  71           H        ALA  71 -20.649  10.720   6.359
  582    HA   ALA  71           HA       ALA  71 -21.785   8.326   5.508
  583   1HB   ALA  71          1HB       ALA  71 -19.751   9.043   4.504
  584   2HB   ALA  71          2HB       ALA  71 -19.408   7.515   5.316
  585   3HB   ALA  71          3HB       ALA  71 -18.908   9.038   6.053
  586    H    GLU  72           H        GLU  72 -20.078   9.137   8.467
  587    HA   GLU  72           HA       GLU  72 -20.025   6.502   9.531
  588   1HB   GLU  72          2HB       GLU  72 -18.455   8.139  10.351
  589   2HB   GLU  72          1HB       GLU  72 -19.757   9.217  10.832
  590   1HG   GLU  72          2HG       GLU  72 -20.175   6.744  12.138
  591   2HG   GLU  72          1HG       GLU  72 -18.478   7.173  12.336
  592    H    ASN  73           H        ASN  73 -22.253   9.219   9.731
  593    HA   ASN  73           HA       ASN  73 -23.902   8.040  11.742
  594   1HB   ASN  73          2HB       ASN  73 -23.730  10.544  10.381
  595   2HB   ASN  73          1HB       ASN  73 -25.386   9.958  10.269
  596   1HD2  ASN  73          1HD2      ASN  73 -22.801  10.829  12.459
  597   2HD2  ASN  73          2HD2      ASN  73 -23.804  11.097  13.840
  598    H    GLU  74           H        GLU  74 -24.101   8.290   8.214
  599    HA   GLU  74           HA       GLU  74 -26.626   6.903   8.124
  600   1HB   GLU  74          2HB       GLU  74 -24.987   8.419   6.294
  601   2HB   GLU  74          1HB       GLU  74 -25.527   6.922   5.548
  602   1HG   GLU  74          2HG       GLU  74 -27.225   8.357   4.995
  603   2HG   GLU  74          1HG       GLU  74 -27.855   7.612   6.463
  604    H    LEU  75           H        LEU  75 -23.255   6.128   7.354
  605    HA   LEU  75           HA       LEU  75 -23.966   3.423   6.593
  606   1HB   LEU  75          2HB       LEU  75 -21.985   5.085   5.792
  607   2HB   LEU  75          1HB       LEU  75 -21.124   4.116   6.973
  608    HG   LEU  75           HG       LEU  75 -22.740   2.776   4.836
  609   1HD1  LEU  75          1HD1      LEU  75 -19.962   3.902   4.547
  610   2HD1  LEU  75          2HD1      LEU  75 -21.383   4.290   3.578
  611   3HD1  LEU  75          3HD1      LEU  75 -20.655   2.686   3.475
  612   1HD2  LEU  75          1HD2      LEU  75 -21.159   0.985   5.179
  613   2HD2  LEU  75          2HD2      LEU  75 -21.834   1.478   6.731
  614   3HD2  LEU  75          3HD2      LEU  75 -20.210   1.989   6.275
  615    H    GLY  76           H        GLY  76 -22.625   5.091   9.359
  616   1HA   GLY  76          2HA       GLY  76 -22.575   4.281  11.551
  617   2HA   GLY  76          1HA       GLY  76 -22.937   2.674  10.940
  618    H    ILE  77           H        ILE  77 -20.343   4.554   9.581
  619    HA   ILE  77           HA       ILE  77 -18.431   2.653  10.760
  620    HB   ILE  77           HB       ILE  77 -18.552   2.630   8.299
  621   1HG1  ILE  77          2HG1      ILE  77 -15.950   3.775   9.339
  622   2HG1  ILE  77          1HG1      ILE  77 -16.440   2.089   9.482
  623   1HG2  ILE  77          1HG2      ILE  77 -18.406   4.448   6.980
  624   2HG2  ILE  77          2HG2      ILE  77 -17.202   5.226   8.007
  625   3HG2  ILE  77          3HG2      ILE  77 -18.910   5.301   8.439
  626   1HD1  ILE  77          1HD1      ILE  77 -15.882   1.624   7.366
  627   2HD1  ILE  77          2HD1      ILE  77 -14.897   3.081   7.501
  628   3HD1  ILE  77          3HD1      ILE  77 -16.493   3.161   6.755
  629    H    THR  78           H        THR  78 -16.982   3.368  12.178
  630    HA   THR  78           HA       THR  78 -16.923   6.117  12.948
  631    HB   THR  78           HB       THR  78 -14.860   4.148  13.853
  632    HG1  THR  78           1HG      THR  78 -16.418   3.331  15.329
  633   1HG2  THR  78          1HG2      THR  78 -16.021   6.612  14.856
  634   2HG2  THR  78          2HG2      THR  78 -14.502   5.816  15.271
  635   3HG2  THR  78          3HG2      THR  78 -16.002   5.313  16.049
  636    HA   PRO  79           HA       PRO  79 -13.823   7.617  10.143
  637   1HB   PRO  79          2HB       PRO  79 -13.081   9.420  12.381
  638   2HB   PRO  79          1HB       PRO  79 -13.547   9.816  10.724
  639   1HG   PRO  79          2HG       PRO  79 -15.227  10.229  12.753
  640   2HG   PRO  79          1HG       PRO  79 -15.811   9.654  11.180
  641   1HD   PRO  79          2HD       PRO  79 -15.383   8.130  13.716
  642   2HD   PRO  79          1HD       PRO  79 -16.678   7.977  12.511
  643    H    VAL  80           H        VAL  80 -11.530   7.752   9.921
  644    HA   VAL  80           HA       VAL  80 -10.053   6.297  12.019
  645    HB   VAL  80           HB       VAL  80  -9.423   6.246   9.068
  646   1HG1  VAL  80          1HG1      VAL  80  -8.340   4.803  11.468
  647   2HG1  VAL  80          2HG1      VAL  80  -7.468   5.757  10.269
  648   3HG1  VAL  80          3HG1      VAL  80  -8.131   4.184   9.829
  649   1HG2  VAL  80          1HG2      VAL  80 -10.309   3.903   9.172
  650   2HG2  VAL  80          2HG2      VAL  80 -11.534   5.164   9.319
  651   3HG2  VAL  80          3HG2      VAL  80 -10.984   4.297  10.752
  652    H    VAL  81           H        VAL  81 -10.115   9.032   9.874
  653    HA   VAL  81           HA       VAL  81  -7.780  10.122  11.244
  654    HB   VAL  81           HB       VAL  81  -6.878   9.116   9.195
  655   1HG1  VAL  81          1HG1      VAL  81  -9.221   9.760   8.018
  656   2HG1  VAL  81          2HG1      VAL  81  -7.747   9.370   7.131
  657   3HG1  VAL  81          3HG1      VAL  81  -8.189  11.055   7.409
  658   1HG2  VAL  81          1HG2      VAL  81  -6.912  12.123   8.980
  659   2HG2  VAL  81          2HG2      VAL  81  -5.658  11.025   8.404
  660   3HG2  VAL  81          3HG2      VAL  81  -5.933  11.219  10.136
  661    H    SER  82           H        SER  82  -7.564  12.455  10.972
  662    HA   SER  82           HA       SER  82 -10.133  13.741  11.016
  663   1HB   SER  82          2HB       SER  82  -7.310  14.757  11.371
  664   2HB   SER  82          1HB       SER  82  -8.719  15.817  11.421
  665    HG   SER  82           HG       SER  82  -7.727  14.374  13.384
  666    H    ALA  83           H        ALA  83 -10.902  15.334   9.635
  667    HA   ALA  83           HA       ALA  83 -10.414  14.998   6.903
  668   1HB   ALA  83          1HB       ALA  83 -11.716  17.157   6.673
  669   2HB   ALA  83          2HB       ALA  83 -11.786  17.192   8.435
  670   3HB   ALA  83          3HB       ALA  83 -12.516  15.853   7.550
  671    H    GLN  84           H        GLN  84  -9.263  17.486   9.154
  672    HA   GLN  84           HA       GLN  84  -7.999  19.174   7.353
  673   1HB   GLN  84          2HB       GLN  84  -8.302  19.706   9.730
  674   2HB   GLN  84          1HB       GLN  84  -7.130  18.470  10.163
  675   1HG   GLN  84          2HG       GLN  84  -5.558  19.853   8.587
  676   2HG   GLN  84          1HG       GLN  84  -6.702  21.146   8.939
  677   1HE2  GLN  84          1HE2      GLN  84  -4.330  21.729   9.743
  678   2HE2  GLN  84          2HE2      GLN  84  -4.107  21.501  11.441
  679    H    ALA  85           H        ALA  85  -6.851  16.174   8.803
  680    HA   ALA  85           HA       ALA  85  -4.182  16.368   7.860
  681   1HB   ALA  85          1HB       ALA  85  -5.854  14.318   9.148
  682   2HB   ALA  85          2HB       ALA  85  -4.196  14.812   9.488
  683   3HB   ALA  85          3HB       ALA  85  -4.530  13.706   8.156
  684    H    VAL  86           H        VAL  86  -7.112  14.862   6.574
  685    HA   VAL  86           HA       VAL  86  -5.878  13.594   4.367
  686    HB   VAL  86           HB       VAL  86  -8.743  14.528   4.516
  687   1HG1  VAL  86          1HG1      VAL  86  -7.875  13.744   2.314
  688   2HG1  VAL  86          2HG1      VAL  86  -9.202  12.774   2.954
  689   3HG1  VAL  86          3HG1      VAL  86  -7.546  12.179   3.057
  690   1HG2  VAL  86          1HG2      VAL  86  -8.674  13.279   6.430
  691   2HG2  VAL  86          2HG2      VAL  86  -7.339  12.276   5.859
  692   3HG2  VAL  86          3HG2      VAL  86  -8.971  12.002   5.251
  693    H    VAL  87           H        VAL  87  -7.645  16.673   4.646
  694    HA   VAL  87           HA       VAL  87  -7.424  17.435   1.957
  695    HB   VAL  87           HB       VAL  87  -8.968  18.522   3.528
  696   1HG1  VAL  87          1HG1      VAL  87  -8.153  20.189   5.121
  697   2HG1  VAL  87          2HG1      VAL  87  -6.490  19.772   4.707
  698   3HG1  VAL  87          3HG1      VAL  87  -7.526  18.581   5.491
  699   1HG2  VAL  87          1HG2      VAL  87  -8.744  20.758   2.700
  700   2HG2  VAL  87          2HG2      VAL  87  -8.219  19.649   1.434
  701   3HG2  VAL  87          3HG2      VAL  87  -7.024  20.524   2.390
  702    H    ALA  88           H        ALA  88  -5.234  17.813   4.674
  703    HA   ALA  88           HA       ALA  88  -3.423  19.518   3.197
  704   1HB   ALA  88          1HB       ALA  88  -3.924  19.282   5.830
  705   2HB   ALA  88          2HB       ALA  88  -2.428  19.947   5.173
  706   3HB   ALA  88          3HB       ALA  88  -2.492  18.263   5.695
  707    H    GLY  89           H        GLY  89  -3.961  16.174   3.450
  708   1HA   GLY  89          2HA       GLY  89  -2.802  14.352   2.682
  709   2HA   GLY  89          1HA       GLY  89  -1.932  15.484   1.660
  710    H    SER  90           H        SER  90  -1.859  15.789   5.125
  711    HA   SER  90           HA       SER  90   0.990  15.071   5.068
  712   1HB   SER  90          2HB       SER  90  -0.605  16.790   6.978
  713   2HB   SER  90          1HB       SER  90   1.078  16.337   7.248
  714    HG   SER  90           HG       SER  90   1.485  18.041   6.090
  715    H    ASP  91           H        ASP  91  -1.157  13.105   5.205
  716    HA   ASP  91           HA       ASP  91  -0.159  11.589   7.432
  717   1HB   ASP  91          2HB       ASP  91  -2.805  12.908   7.551
  718   2HB   ASP  91          1HB       ASP  91  -2.775  11.213   8.027
  719    HA   PRO  92           HA       PRO  92  -1.446   9.266   3.569
  720   1HB   PRO  92          2HB       PRO  92   0.831   7.726   3.560
  721   2HB   PRO  92          1HB       PRO  92   0.659   9.250   2.683
  722   1HG   PRO  92          2HG       PRO  92   1.946   8.722   5.331
  723   2HG   PRO  92          1HG       PRO  92   2.493   9.769   4.008
  724   1HD   PRO  92          2HD       PRO  92   1.298  10.768   6.196
  725   2HD   PRO  92          1HD       PRO  92   1.034  11.472   4.589
  726    H    LEU  93           H        LEU  93   0.169   8.094   6.510
  727    HA   LEU  93           HA       LEU  93  -0.687   5.441   6.398
  728   1HB   LEU  93          2HB       LEU  93   0.941   6.759   8.029
  729   2HB   LEU  93          1HB       LEU  93  -0.490   6.789   9.043
  730    HG   LEU  93           HG       LEU  93   0.266   4.155   7.920
  731   1HD1  LEU  93          1HD1      LEU  93   2.435   5.188   8.574
  732   2HD1  LEU  93          2HD1      LEU  93   2.007   3.755   9.509
  733   3HD1  LEU  93          3HD1      LEU  93   1.803   5.361  10.212
  734   1HD2  LEU  93          1HD2      LEU  93  -1.666   4.397   9.374
  735   2HD2  LEU  93          2HD2      LEU  93  -0.654   5.113  10.628
  736   3HD2  LEU  93          3HD2      LEU  93  -0.420   3.429  10.162
  737    H    GLY  94           H        GLY  94  -2.298   8.323   7.612
  738   1HA   GLY  94          2HA       GLY  94  -4.470   6.918   8.832
  739   2HA   GLY  94          1HA       GLY  94  -4.408   8.639   8.486
  740    H    LEU  95           H        LEU  95  -3.995   8.473   5.691
  741    HA   LEU  95           HA       LEU  95  -6.641   8.293   4.784
  742   1HB   LEU  95          2HB       LEU  95  -4.329   9.331   3.797
  743   2HB   LEU  95          1HB       LEU  95  -4.536   7.936   2.757
  744    HG   LEU  95           HG       LEU  95  -6.743   9.933   3.176
  745   1HD1  LEU  95          1HD1      LEU  95  -4.376  10.712   2.172
  746   2HD1  LEU  95          2HD1      LEU  95  -5.925  11.359   1.635
  747   3HD1  LEU  95          3HD1      LEU  95  -5.135  10.082   0.712
  748   1HD2  LEU  95          1HD2      LEU  95  -7.345   7.750   2.242
  749   2HD2  LEU  95          2HD2      LEU  95  -6.153   7.975   0.962
  750   3HD2  LEU  95          3HD2      LEU  95  -7.550   9.045   1.062
  751    H    ILE  96           H        ILE  96  -3.933   6.024   4.510
  752    HA   ILE  96           HA       ILE  96  -5.297   4.125   2.912
  753    HB   ILE  96           HB       ILE  96  -2.990   3.635   4.799
  754   1HG1  ILE  96          2HG1      ILE  96  -2.548   5.440   3.151
  755   2HG1  ILE  96          1HG1      ILE  96  -1.535   4.022   2.894
  756   1HG2  ILE  96          1HG2      ILE  96  -3.878   2.085   2.369
  757   2HG2  ILE  96          2HG2      ILE  96  -4.157   1.602   4.042
  758   3HG2  ILE  96          3HG2      ILE  96  -2.511   1.705   3.416
  759   1HD1  ILE  96          1HD1      ILE  96  -2.287   4.839   0.779
  760   2HD1  ILE  96          2HD1      ILE  96  -3.966   4.821   1.317
  761   3HD1  ILE  96          3HD1      ILE  96  -3.092   3.304   1.107
  762    H    ALA  97           H        ALA  97  -4.865   4.478   6.404
  763    HA   ALA  97           HA       ALA  97  -5.989   2.053   7.212
  764   1HB   ALA  97          1HB       ALA  97  -6.216   4.649   8.721
  765   2HB   ALA  97          2HB       ALA  97  -4.738   3.690   8.651
  766   3HB   ALA  97          3HB       ALA  97  -6.196   3.012   9.380
  767    H    TYR  98           H        TYR  98  -7.493   5.148   6.434
  768    HA   TYR  98           HA       TYR  98 -10.112   4.427   7.262
  769   1HB   TYR  98          2HB       TYR  98  -9.219   6.778   6.891
  770   2HB   TYR  98          1HB       TYR  98  -9.419   6.485   5.166
  771    HD1  TYR  98           1HD      TYR  98 -11.837   5.605   4.494
  772    HD2  TYR  98           2HD      TYR  98 -10.945   7.805   8.024
  773    HE1  TYR  98           1HE      TYR  98 -14.190   6.303   4.647
  774    HE2  TYR  98           2HE      TYR  98 -13.296   8.507   8.188
  775    HH   TYR  98           HH       TYR  98 -15.512   7.718   7.416
  776    H    LEU  99           H        LEU  99  -8.429   4.348   4.151
  777    HA   LEU  99           HA       LEU  99 -10.624   3.567   2.578
  778   1HB   LEU  99          2HB       LEU  99  -7.893   4.082   2.184
  779   2HB   LEU  99          1HB       LEU  99  -8.143   2.441   1.619
  780    HG   LEU  99           HG       LEU  99  -9.944   4.657   0.701
  781   1HD1  LEU  99          1HD1      LEU  99  -7.286   4.900   0.357
  782   2HD1  LEU  99          2HD1      LEU  99  -8.482   5.464  -0.810
  783   3HD1  LEU  99          3HD1      LEU  99  -7.691   3.904  -1.040
  784   1HD2  LEU  99          1HD2      LEU  99  -9.378   1.853  -0.024
  785   2HD2  LEU  99          2HD2      LEU  99  -9.646   2.967  -1.365
  786   3HD2  LEU  99          3HD2      LEU  99 -10.880   2.772  -0.119
  787    H    SER 100           H        SER 100  -8.358   1.738   4.535
  788    HA   SER 100           HA       SER 100  -8.898  -0.831   3.566
  789   1HB   SER 100          2HB       SER 100  -7.931   0.215   6.215
  790   2HB   SER 100          1HB       SER 100  -8.238  -1.507   5.988
  791    HG   SER 100           HG       SER 100  -6.621  -1.626   4.553
  792    H    HIS 101           H        HIS 101 -10.514   1.091   6.053
  793    HA   HIS 101           HA       HIS 101 -12.307  -0.960   6.865
  794   1HB   HIS 101          2HB       HIS 101 -11.702   1.696   7.656
  795   2HB   HIS 101          1HB       HIS 101 -13.429   1.641   7.319
  796    HD1  HIS 101           1HD      HIS 101 -13.594  -1.449   8.322
  797    HD2  HIS 101           2HD      HIS 101 -12.165   1.840  10.419
  798    HE1  HIS 101           1HE      HIS 101 -13.799  -2.061  10.752
  799    HE2  HIS 101           2HE      HIS 101 -13.006  -0.023  12.003
  800    H    PHE 102           H        PHE 102 -12.590   1.782   4.633
  801    HA   PHE 102           HA       PHE 102 -15.302   1.309   3.959
  802   1HB   PHE 102          2HB       PHE 102 -13.236   3.176   3.233
  803   2HB   PHE 102          1HB       PHE 102 -14.046   2.597   1.781
  804    HD1  PHE 102           1HD      PHE 102 -15.974   3.645   1.092
  805    HD2  PHE 102           2HD      PHE 102 -14.828   3.902   5.182
  806    HE1  PHE 102           1HE      PHE 102 -17.838   5.195   1.513
  807    HE2  PHE 102           2HE      PHE 102 -16.690   5.453   5.610
  808    HZ   PHE 102           HZ       PHE 102 -18.199   6.102   3.774
  809    H    HIS 103           H        HIS 103 -12.234   0.332   2.496
  810    HA   HIS 103           HA       HIS 103 -13.340  -0.884   0.199
  811   1HB   HIS 103          2HB       HIS 103 -10.941  -0.243   0.467
  812   2HB   HIS 103          1HB       HIS 103 -10.744  -1.588   1.585
  813    HD1  HIS 103           1HD      HIS 103  -8.907  -2.290  -0.298
  814    HD2  HIS 103           2HD      HIS 103 -12.910  -2.633  -1.355
  815    HE1  HIS 103           1HE      HIS 103  -8.944  -3.813  -2.297
  816    HE2  HIS 103           2HE      HIS 103 -11.385  -4.076  -2.865
  817    H    SER 104           H        SER 104 -12.449  -2.164   3.381
  818    HA   SER 104           HA       SER 104 -13.027  -4.868   2.805
  819   1HB   SER 104          2HB       SER 104 -12.560  -3.258   5.262
  820   2HB   SER 104          1HB       SER 104 -13.383  -4.805   5.463
  821    HG   SER 104           HG       SER 104 -11.396  -5.524   5.461
  822    H    ALA 105           H        ALA 105 -14.981  -2.215   4.058
  823    HA   ALA 105           HA       ALA 105 -17.266  -3.832   4.629
  824   1HB   ALA 105          1HB       ALA 105 -16.873  -1.719   5.790
  825   2HB   ALA 105          2HB       ALA 105 -18.432  -1.713   4.964
  826   3HB   ALA 105          3HB       ALA 105 -17.062  -0.844   4.270
  827    H    PHE 106           H        PHE 106 -16.210  -1.874   1.898
  828    HA   PHE 106           HA       PHE 106 -18.630  -1.951   0.448
  829   1HB   PHE 106          2HB       PHE 106 -15.773  -1.381  -0.240
  830   2HB   PHE 106          1HB       PHE 106 -16.945  -1.583  -1.537
  831    HD1  PHE 106           1HD      PHE 106 -17.607  -0.051   1.764
  832    HD2  PHE 106           2HD      PHE 106 -16.976   0.600  -2.393
  833    HE1  PHE 106           1HE      PHE 106 -18.301   2.295   2.029
  834    HE2  PHE 106           2HE      PHE 106 -17.671   2.946  -2.137
  835    HZ   PHE 106           HZ       PHE 106 -18.334   3.797   0.078
  836    H    LYS 107           H        LYS 107 -15.929  -4.161   0.709
  837    HA   LYS 107           HA       LYS 107 -16.472  -5.757  -1.545
  838   1HB   LYS 107          2HB       LYS 107 -14.888  -6.037   0.942
  839   2HB   LYS 107          1HB       LYS 107 -15.343  -7.536   0.142
  840   1HG   LYS 107          2HG       LYS 107 -14.195  -6.943  -1.834
  841   2HG   LYS 107          1HG       LYS 107 -13.993  -5.273  -1.300
  842   1HD   LYS 107          2HD       LYS 107 -12.308  -5.808   0.178
  843   2HD   LYS 107          1HD       LYS 107 -12.852  -7.478   0.354
  844   1HE   LYS 107          2HE       LYS 107 -11.898  -8.126  -1.677
  845   2HE   LYS 107          1HE       LYS 107 -11.772  -6.464  -2.252
  846   1HZ   LYS 107          1HZ       LYS 107  -9.620  -7.355  -1.606
  847   2HZ   LYS 107          2HZ       LYS 107 -10.183  -7.646  -0.038
  848   3HZ   LYS 107          3HZ       LYS 107 -10.053  -6.059  -0.609
  849    H    SER 108           H        SER 108 -17.846  -5.676   1.663
  850    HA   SER 108           HA       SER 108 -19.064  -8.196   1.718
  851   1HB   SER 108          2HB       SER 108 -20.343  -5.759   2.935
  852   2HB   SER 108          1HB       SER 108 -20.310  -7.412   3.548
  853    HG   SER 108           HG       SER 108 -18.651  -5.438   4.119
  854    H    MET 109           H        MET 109 -20.211  -5.099   0.444
  855    HA   MET 109           HA       MET 109 -22.732  -6.225  -0.398
  856   1HB   MET 109          2HB       MET 109 -21.446  -3.526  -0.577
  857   2HB   MET 109          1HB       MET 109 -22.837  -3.895  -1.588
  858   1HG   MET 109          2HG       MET 109 -24.194  -3.451   0.093
  859   2HG   MET 109          1HG       MET 109 -23.440  -4.720   1.053
  860   1HE   MET 109          1HE       MET 109 -23.404  -2.904   3.813
  861   2HE   MET 109          2HE       MET 109 -21.729  -3.431   3.651
  862   3HE   MET 109          3HE       MET 109 -23.034  -4.432   3.014
  Start of MODEL    3
    1   1H    MET  -8          1HT       MET  -8  12.209  14.118 -21.770
    2   2H    MET  -8          2HT       MET  -8  12.565  13.514 -20.203
    3   3H    MET  -8          3HT       MET  -8  11.503  14.848 -20.389
    4    HA   MET  -8           HA       MET  -8  10.101  13.123 -20.006
    5   1HB   MET  -8          2HB       MET  -8   8.933  12.841 -22.106
    6   2HB   MET  -8          1HB       MET  -8   9.583  14.472 -22.026
    7   1HG   MET  -8          2HG       MET  -8  11.579  13.002 -23.267
    8   2HG   MET  -8          1HG       MET  -8  10.081  12.368 -23.944
    9   1HE   MET  -8          1HE       MET  -8  12.286  16.084 -24.878
   10   2HE   MET  -8          2HE       MET  -8  12.592  14.907 -23.601
   11   3HE   MET  -8          3HE       MET  -8  11.573  16.310 -23.281
   12    H    GLY  -7           H        GLY  -7  10.026  11.035 -19.486
   13   1HA   GLY  -7          2HA       GLY  -7  10.296   8.773 -20.767
   14   2HA   GLY  -7          1HA       GLY  -7  11.991   9.229 -20.702
   15    H    HIS  -6           H        HIS  -6   9.213   8.214 -18.843
   16    HA   HIS  -6           HA       HIS  -6  11.003   7.659 -16.568
   17   1HB   HIS  -6          2HB       HIS  -6   8.045   8.287 -16.559
   18   2HB   HIS  -6          1HB       HIS  -6   8.953   7.770 -15.144
   19    HD1  HIS  -6           1HD      HIS  -6   7.479  10.598 -15.648
   20    HD2  HIS  -6           2HD      HIS  -6  11.560   9.823 -15.767
   21    HE1  HIS  -6           1HE      HIS  -6   8.596  12.808 -15.206
   22    HE2  HIS  -6           2HE      HIS  -6  11.063  12.331 -15.378
   23    H    HIS  -5           H        HIS  -5  11.563   5.620 -17.458
   24    HA   HIS  -5           HA       HIS  -5   9.417   3.614 -17.222
   25   1HB   HIS  -5          2HB       HIS  -5  10.968   4.219 -19.502
   26   2HB   HIS  -5          1HB       HIS  -5  11.574   2.683 -18.894
   27    HD1  HIS  -5           1HD      HIS  -5  10.496   1.865 -21.261
   28    HD2  HIS  -5           2HD      HIS  -5   7.841   2.946 -18.252
   29    HE1  HIS  -5           1HE      HIS  -5   8.289   0.857 -21.919
   30    HE2  HIS  -5           2HE      HIS  -5   6.678   1.597 -20.129
   31    H    HIS  -4           H        HIS  -4   9.760   2.580 -15.362
   32    HA   HIS  -4           HA       HIS  -4  12.338   1.309 -14.927
   33   1HB   HIS  -4          2HB       HIS  -4  11.225   3.471 -13.214
   34   2HB   HIS  -4          1HB       HIS  -4  11.981   2.106 -12.400
   35    HD1  HIS  -4           1HD      HIS  -4  14.265   1.680 -14.538
   36    HD2  HIS  -4           2HD      HIS  -4  13.242   5.289 -12.752
   37    HE1  HIS  -4           1HE      HIS  -4  16.322   3.118 -14.701
   38    HE2  HIS  -4           2HE      HIS  -4  15.705   5.266 -13.537
   39    H    HIS  -3           H        HIS  -3  11.121  -0.585 -15.397
   40    HA   HIS  -3           HA       HIS  -3   9.145  -1.344 -13.360
   41   1HB   HIS  -3          2HB       HIS  -3   9.424  -1.879 -16.219
   42   2HB   HIS  -3          1HB       HIS  -3   9.117  -3.337 -15.282
   43    HD1  HIS  -3           1HD      HIS  -3   7.346  -0.858 -17.048
   44    HD2  HIS  -3           2HD      HIS  -3   6.772  -2.747 -13.392
   45    HE1  HIS  -3           1HE      HIS  -3   4.910  -0.546 -16.504
   46    HE2  HIS  -3           2HE      HIS  -3   4.568  -1.772 -14.332
   47    H    HIS  -2           H        HIS  -2  11.113  -1.584 -11.944
   48    HA   HIS  -2           HA       HIS  -2  11.888  -4.382 -11.934
   49   1HB   HIS  -2          2HB       HIS  -2  13.624  -2.864 -13.203
   50   2HB   HIS  -2          1HB       HIS  -2  14.106  -2.405 -11.574
   51    HD1  HIS  -2           1HD      HIS  -2  13.119  -5.769 -11.229
   52    HD2  HIS  -2           2HD      HIS  -2  16.453  -3.903 -12.861
   53    HE1  HIS  -2           1HE      HIS  -2  14.914  -7.529 -11.282
   54    HE2  HIS  -2           2HE      HIS  -2  16.947  -6.353 -12.195
   55    H    HIS  -1           H        HIS  -1  11.758  -5.149  -9.928
   56    HA   HIS  -1           HA       HIS  -1  11.621  -5.267  -7.662
   57   1HB   HIS  -1          2HB       HIS  -1  13.910  -3.975  -8.067
   58   2HB   HIS  -1          1HB       HIS  -1  13.026  -2.663  -7.294
   59    HD1  HIS  -1           1HD      HIS  -1  13.247  -6.379  -6.472
   60    HD2  HIS  -1           2HD      HIS  -1  13.785  -2.657  -4.706
   61    HE1  HIS  -1           1HE      HIS  -1  13.823  -6.852  -4.071
   62    HE2  HIS  -1           2HE      HIS  -1  14.233  -4.589  -3.045
   63    H    MET   0           H        MET   0   9.441  -4.992  -7.399
   64    HA   MET   0           HA       MET   0   8.585  -2.293  -6.603
   65   1HB   MET   0          2HB       MET   0   7.773  -3.358  -8.937
   66   2HB   MET   0          1HB       MET   0   6.562  -4.054  -7.870
   67   1HG   MET   0          2HG       MET   0   6.214  -1.660  -7.027
   68   2HG   MET   0          1HG       MET   0   7.103  -1.172  -8.470
   69   1HE   MET   0          1HE       MET   0   6.496  -2.323 -10.815
   70   2HE   MET   0          2HE       MET   0   5.814  -0.698 -10.759
   71   3HE   MET   0          3HE       MET   0   4.853  -2.036 -11.387
   72    H    GLY   1           H        GLY   1   8.237  -2.426  -4.479
   73   1HA   GLY   1          2HA       GLY   1   6.620  -4.694  -3.499
   74   2HA   GLY   1          1HA       GLY   1   8.041  -4.145  -2.622
   75    H    SER   2           H        SER   2   7.986  -1.706  -2.121
   76    HA   SER   2           HA       SER   2   5.800  -1.212  -0.432
   77   1HB   SER   2          2HB       SER   2   8.075   0.467  -1.439
   78   2HB   SER   2          1HB       SER   2   6.785   1.206  -0.490
   79    HG   SER   2           HG       SER   2   8.381   0.534   0.912
   80    H    ALA   3           H        ALA   3   6.715   0.511  -3.421
   81    HA   ALA   3           HA       ALA   3   4.341   2.007  -3.606
   82   1HB   ALA   3          1HB       ALA   3   6.622   1.410  -5.387
   83   2HB   ALA   3          2HB       ALA   3   5.906   2.958  -4.935
   84   3HB   ALA   3          3HB       ALA   3   5.137   1.955  -6.164
   85    H    GLY   4           H        GLY   4   5.165  -1.220  -4.656
   86   1HA   GLY   4          2HA       GLY   4   3.162  -1.659  -6.552
   87   2HA   GLY   4          1HA       GLY   4   3.895  -2.906  -5.554
   88    H    THR   5           H        THR   5   2.965  -1.511  -3.079
   89    HA   THR   5           HA       THR   5   0.367  -2.772  -2.975
   90    HB   THR   5           HB       THR   5   1.737  -1.213  -0.783
   91    HG1  THR   5           1HG      THR   5   2.591  -3.244  -0.158
   92   1HG2  THR   5          1HG2      THR   5  -0.448  -1.708  -0.098
   93   2HG2  THR   5          2HG2      THR   5   0.568  -2.947   0.637
   94   3HG2  THR   5          3HG2      THR   5  -0.388  -3.325  -0.795
   95    H    GLN   6           H        GLN   6   1.667   0.502  -2.502
   96    HA   GLN   6           HA       GLN   6  -0.804   1.757  -2.006
   97   1HB   GLN   6          2HB       GLN   6   1.944   2.617  -2.667
   98   2HB   GLN   6          1HB       GLN   6   0.675   3.760  -3.086
   99   1HG   GLN   6          2HG       GLN   6  -0.147   3.408  -0.678
  100   2HG   GLN   6          1HG       GLN   6   1.450   2.716  -0.394
  101   1HE2  GLN   6          1HE2      GLN   6   2.501   4.194   0.750
  102   2HE2  GLN   6          2HE2      GLN   6   2.682   5.857   0.317
  103    H    GLU   7           H        GLU   7   0.872   0.936  -4.967
  104    HA   GLU   7           HA       GLU   7  -0.584   2.555  -6.743
  105   1HB   GLU   7          2HB       GLU   7   1.539   0.907  -7.006
  106   2HB   GLU   7          1HB       GLU   7   0.285  -0.102  -7.716
  107   1HG   GLU   7          2HG       GLU   7  -0.110   2.407  -8.841
  108   2HG   GLU   7          1HG       GLU   7   1.640   2.199  -8.803
  109    H    GLU   8           H        GLU   8  -1.116  -0.803  -5.698
  110    HA   GLU   8           HA       GLU   8  -3.411  -1.224  -7.293
  111   1HB   GLU   8          2HB       GLU   8  -3.794  -3.195  -5.916
  112   2HB   GLU   8          1HB       GLU   8  -2.094  -3.067  -6.342
  113   1HG   GLU   8          2HG       GLU   8  -1.449  -2.574  -4.199
  114   2HG   GLU   8          1HG       GLU   8  -3.031  -1.935  -3.753
  115    H    LEU   9           H        LEU   9  -2.931   0.170  -4.122
  116    HA   LEU   9           HA       LEU   9  -5.605   0.065  -3.233
  117   1HB   LEU   9          2HB       LEU   9  -3.132   1.438  -2.444
  118   2HB   LEU   9          1HB       LEU   9  -4.597   2.309  -2.035
  119    HG   LEU   9           HG       LEU   9  -3.916   0.963  -0.155
  120   1HD1  LEU   9          1HD1      LEU   9  -6.163  -0.686  -1.116
  121   2HD1  LEU   9          2HD1      LEU   9  -6.412   1.059  -1.134
  122   3HD1  LEU   9          3HD1      LEU   9  -5.987   0.243   0.372
  123   1HD2  LEU   9          1HD2      LEU   9  -3.988  -1.329  -2.107
  124   2HD2  LEU   9          2HD2      LEU   9  -3.903  -1.525  -0.357
  125   3HD2  LEU   9          3HD2      LEU   9  -2.592  -0.718  -1.219
  126    H    LEU  10           H        LEU  10  -3.775   2.631  -4.877
  127    HA   LEU  10           HA       LEU  10  -5.892   4.485  -5.009
  128   1HB   LEU  10          2HB       LEU  10  -3.262   4.599  -5.569
  129   2HB   LEU  10          1HB       LEU  10  -3.896   4.468  -7.198
  130    HG   LEU  10           HG       LEU  10  -5.322   6.458  -6.763
  131   1HD1  LEU  10          1HD1      LEU  10  -5.639   6.550  -4.465
  132   2HD1  LEU  10          2HD1      LEU  10  -4.497   7.859  -4.764
  133   3HD1  LEU  10          3HD1      LEU  10  -3.926   6.321  -4.119
  134   1HD2  LEU  10          1HD2      LEU  10  -3.496   7.139  -7.926
  135   2HD2  LEU  10          2HD2      LEU  10  -2.361   6.480  -6.748
  136   3HD2  LEU  10          3HD2      LEU  10  -3.182   8.008  -6.423
  137    H    ARG  11           H        ARG  11  -4.918   1.844  -7.102
  138    HA   ARG  11           HA       ARG  11  -6.470   2.455  -9.350
  139   1HB   ARG  11          2HB       ARG  11  -5.333  -0.073  -8.220
  140   2HB   ARG  11          1HB       ARG  11  -6.455  -0.165  -9.571
  141   1HG   ARG  11          2HG       ARG  11  -4.387   1.817 -10.011
  142   2HG   ARG  11          1HG       ARG  11  -3.721   0.210  -9.714
  143   1HD   ARG  11          2HD       ARG  11  -4.055  -0.003 -11.943
  144   2HD   ARG  11          1HD       ARG  11  -5.680  -0.443 -11.416
  145    HE   ARG  11           HE       ARG  11  -6.471   1.492 -12.351
  146   1HH1  ARG  11          1HH1      ARG  11  -2.999   1.708 -12.074
  147   2HH1  ARG  11          2HH1      ARG  11  -2.892   3.174 -12.987
  148   1HH2  ARG  11          1HH2      ARG  11  -6.332   3.420 -13.553
  149   2HH2  ARG  11          2HH2      ARG  11  -4.785   4.149 -13.827
  150    H    TRP  12           H        TRP  12  -7.259   0.576  -6.448
  151    HA   TRP  12           HA       TRP  12  -9.862  -0.163  -7.286
  152   1HB   TRP  12          2HB       TRP  12  -8.497  -1.249  -5.447
  153   2HB   TRP  12          1HB       TRP  12  -8.931   0.119  -4.429
  154    HD1  TRP  12           HD       TRP  12 -10.354  -3.073  -5.920
  155    HE1  TRP  12           1HE      TRP  12 -12.657  -3.535  -4.869
  156    HE3  TRP  12           3HE      TRP  12 -10.992   1.328  -3.398
  157    HZ2  TRP  12           2HZ      TRP  12 -14.500  -2.208  -3.193
  158    HZ3  TRP  12           3HZ      TRP  12 -13.054   1.652  -2.093
  159    HH2  TRP  12           HH       TRP  12 -14.771  -0.081  -1.994
  160    H    CYS  13           H        CYS  13  -8.673   2.436  -5.176
  161    HA   CYS  13           HA       CYS  13 -11.170   3.526  -4.517
  162   1HB   CYS  13          2HB       CYS  13  -8.781   4.022  -3.579
  163   2HB   CYS  13          1HB       CYS  13  -8.744   5.259  -4.831
  164    HG   CYS  13           HG       CYS  13 -10.010   6.691  -3.320
  165    H    GLN  14           H        GLN  14  -8.930   4.318  -7.158
  166    HA   GLN  14           HA       GLN  14 -10.417   6.449  -8.225
  167   1HB   GLN  14          2HB       GLN  14  -8.084   6.073  -8.818
  168   2HB   GLN  14          1HB       GLN  14  -8.504   4.555  -9.599
  169   1HG   GLN  14          2HG       GLN  14  -9.820   7.052 -10.530
  170   2HG   GLN  14          1HG       GLN  14  -8.144   6.750 -10.984
  171   1HE2  GLN  14          1HE2      GLN  14 -10.750   6.787 -12.491
  172   2HE2  GLN  14          2HE2      GLN  14 -10.762   5.296 -13.364
  173    H    GLU  15           H        GLU  15 -10.611   2.977  -8.706
  174    HA   GLU  15           HA       GLU  15 -12.319   3.026 -10.961
  175   1HB   GLU  15          2HB       GLU  15 -11.006   1.042 -10.210
  176   2HB   GLU  15          1HB       GLU  15 -12.104   0.875  -8.847
  177   1HG   GLU  15          2HG       GLU  15 -13.947   0.780 -10.662
  178   2HG   GLU  15          1HG       GLU  15 -12.613   0.407 -11.751
  179    H    GLN  16           H        GLN  16 -12.952   2.770  -7.483
  180    HA   GLN  16           HA       GLN  16 -15.767   2.561  -7.719
  181   1HB   GLN  16          2HB       GLN  16 -13.956   3.347  -5.441
  182   2HB   GLN  16          1HB       GLN  16 -15.705   3.287  -5.272
  183   1HG   GLN  16          2HG       GLN  16 -14.029   0.954  -6.159
  184   2HG   GLN  16          1HG       GLN  16 -14.499   1.254  -4.486
  185   1HE2  GLN  16          1HE2      GLN  16 -15.702   0.564  -7.709
  186   2HE2  GLN  16          2HE2      GLN  16 -17.206  -0.119  -7.207
  187    H    THR  17           H        THR  17 -13.568   5.292  -7.441
  188    HA   THR  17           HA       THR  17 -15.757   7.179  -7.184
  189    HB   THR  17           HB       THR  17 -13.578   7.472  -5.983
  190    HG1  THR  17           1HG      THR  17 -14.311   9.540  -7.777
  191   1HG2  THR  17          1HG2      THR  17 -12.251   8.760  -8.213
  192   2HG2  THR  17          2HG2      THR  17 -12.393   7.014  -8.418
  193   3HG2  THR  17          3HG2      THR  17 -11.610   7.671  -6.982
  194    H    ALA  18           H        ALA  18 -14.808   5.467  -9.712
  195    HA   ALA  18           HA       ALA  18 -14.453   7.540 -11.682
  196   1HB   ALA  18          1HB       ALA  18 -13.688   4.966 -11.615
  197   2HB   ALA  18          2HB       ALA  18 -13.874   5.887 -13.107
  198   3HB   ALA  18          3HB       ALA  18 -15.167   4.817 -12.564
  199    H    GLY  19           H        GLY  19 -15.952   8.393 -13.033
  200   1HA   GLY  19          2HA       GLY  19 -18.128   7.839 -14.216
  201   2HA   GLY  19          1HA       GLY  19 -18.743   7.530 -12.597
  202    H    TYR  20           H        TYR  20 -17.359   9.726 -11.346
  203    HA   TYR  20           HA       TYR  20 -19.270  11.773 -11.825
  204   1HB   TYR  20          2HB       TYR  20 -16.703  11.891 -10.224
  205   2HB   TYR  20          1HB       TYR  20 -18.026  13.049 -10.138
  206    HD1  TYR  20           1HD      TYR  20 -19.955  12.616  -8.815
  207    HD2  TYR  20           2HD      TYR  20 -17.050   9.563  -9.396
  208    HE1  TYR  20           1HE      TYR  20 -21.023  11.273  -7.055
  209    HE2  TYR  20           2HE      TYR  20 -18.110   8.211  -7.638
  210    HH   TYR  20           HH       TYR  20 -19.587   8.719  -5.563
  211    HA   PRO  21           HA       PRO  21 -17.107  13.900 -15.074
  212   1HB   PRO  21          2HB       PRO  21 -18.544  16.179 -15.119
  213   2HB   PRO  21          1HB       PRO  21 -19.197  14.644 -15.703
  214   1HG   PRO  21          2HG       PRO  21 -19.631  16.008 -13.075
  215   2HG   PRO  21          1HG       PRO  21 -20.810  15.197 -14.123
  216   1HD   PRO  21          2HD       PRO  21 -19.714  14.027 -11.918
  217   2HD   PRO  21          1HD       PRO  21 -20.255  13.111 -13.338
  218    H    GLY  22           H        GLY  22 -15.071  14.463 -14.468
  219   1HA   GLY  22          2HA       GLY  22 -13.679  16.436 -14.168
  220   2HA   GLY  22          1HA       GLY  22 -14.804  16.965 -12.928
  221    H    VAL  23           H        VAL  23 -14.944  14.134 -11.904
  222    HA   VAL  23           HA       VAL  23 -12.784  14.390 -10.028
  223    HB   VAL  23           HB       VAL  23 -14.717  12.087 -10.293
  224   1HG1  VAL  23          1HG1      VAL  23 -12.597  11.919  -8.859
  225   2HG1  VAL  23          2HG1      VAL  23 -14.138  11.508  -8.105
  226   3HG1  VAL  23          3HG1      VAL  23 -13.391  13.075  -7.790
  227   1HG2  VAL  23          1HG2      VAL  23 -16.109  13.969 -10.076
  228   2HG2  VAL  23          2HG2      VAL  23 -15.015  14.751  -8.935
  229   3HG2  VAL  23          3HG2      VAL  23 -15.945  13.335  -8.438
  230    H    HIS  24           H        HIS  24 -10.822  13.608 -10.286
  231    HA   HIS  24           HA       HIS  24 -10.445  11.122 -11.801
  232   1HB   HIS  24          2HB       HIS  24  -8.651  13.541 -12.066
  233   2HB   HIS  24          1HB       HIS  24  -8.500  12.016 -12.935
  234    HD1  HIS  24           1HD      HIS  24 -11.107  11.523 -14.173
  235    HD2  HIS  24           2HD      HIS  24  -9.610  15.381 -13.783
  236    HE1  HIS  24           1HE      HIS  24 -12.311  12.891 -15.906
  237    HE2  HIS  24           2HE      HIS  24 -11.448  15.237 -15.596
  238    H    VAL  25           H        VAL  25 -10.452  10.398  -9.497
  239    HA   VAL  25           HA       VAL  25  -8.342  11.127  -7.749
  240    HB   VAL  25           HB       VAL  25  -9.976   8.588  -7.721
  241   1HG1  VAL  25          1HG1      VAL  25  -9.429   9.132  -5.141
  242   2HG1  VAL  25          2HG1      VAL  25  -7.972   9.766  -5.906
  243   3HG1  VAL  25          3HG1      VAL  25  -8.436   8.081  -6.150
  244   1HG2  VAL  25          1HG2      VAL  25 -10.496  11.179  -6.268
  245   2HG2  VAL  25          2HG2      VAL  25 -11.490   9.721  -6.229
  246   3HG2  VAL  25          3HG2      VAL  25 -11.349  10.654  -7.719
  247    H    SER  26           H        SER  26  -6.288  10.834  -8.314
  248    HA   SER  26           HA       SER  26  -5.355   8.135  -8.799
  249   1HB   SER  26          2HB       SER  26  -4.964  10.356 -10.812
  250   2HB   SER  26          1HB       SER  26  -4.000   8.878 -10.797
  251    HG   SER  26           HG       SER  26  -6.803   9.107 -11.169
  252    H    ASP  27           H        ASP  27  -5.129  10.427  -6.838
  253    HA   ASP  27           HA       ASP  27  -2.217  10.306  -6.574
  254   1HB   ASP  27          2HB       ASP  27  -3.860  12.834  -6.315
  255   2HB   ASP  27          1HB       ASP  27  -2.157  12.690  -5.889
  256    H    LEU  28           H        LEU  28  -1.455  10.389  -4.433
  257    HA   LEU  28           HA       LEU  28  -3.479   9.687  -2.452
  258   1HB   LEU  28          2HB       LEU  28  -0.789   8.883  -2.987
  259   2HB   LEU  28          1HB       LEU  28  -0.860   9.537  -1.363
  260    HG   LEU  28           HG       LEU  28  -3.054   7.890  -1.406
  261   1HD1  LEU  28          1HD1      LEU  28  -2.695   5.971  -2.588
  262   2HD1  LEU  28          2HD1      LEU  28  -0.944   6.182  -2.617
  263   3HD1  LEU  28          3HD1      LEU  28  -1.967   7.141  -3.689
  264   1HD2  LEU  28          1HD2      LEU  28  -1.640   6.356  -0.072
  265   2HD2  LEU  28          2HD2      LEU  28  -1.487   8.042   0.414
  266   3HD2  LEU  28          3HD2      LEU  28  -0.225   7.287  -0.557
  267    H    SER  29           H        SER  29  -3.311  12.430  -3.238
  268    HA   SER  29           HA       SER  29  -3.108  13.627  -0.649
  269   1HB   SER  29          2HB       SER  29  -0.905  13.965  -2.606
  270   2HB   SER  29          1HB       SER  29  -1.459  15.427  -1.792
  271    HG   SER  29           HG       SER  29   0.219  13.742  -0.835
  272    H    SER  30           H        SER  30  -2.701  14.863  -3.968
  273    HA   SER  30           HA       SER  30  -4.430  17.040  -3.644
  274   1HB   SER  30          2HB       SER  30  -2.709  16.207  -5.604
  275   2HB   SER  30          1HB       SER  30  -4.273  15.965  -6.379
  276    HG   SER  30           HG       SER  30  -3.228  18.357  -5.276
  277    H    SER  31           H        SER  31  -5.017  13.835  -5.048
  278    HA   SER  31           HA       SER  31  -7.606  14.173  -5.940
  279   1HB   SER  31          2HB       SER  31  -6.483  11.680  -4.642
  280   2HB   SER  31          1HB       SER  31  -7.857  11.756  -5.745
  281    HG   SER  31           HG       SER  31  -6.380  12.573  -7.334
  282    H    TRP  32           H        TRP  32  -6.461  13.918  -2.670
  283    HA   TRP  32           HA       TRP  32  -9.211  13.645  -1.680
  284   1HB   TRP  32          2HB       TRP  32  -6.656  13.497  -0.076
  285   2HB   TRP  32          1HB       TRP  32  -8.270  13.014   0.438
  286    HD1  TRP  32           HD       TRP  32  -5.555  11.935  -2.103
  287    HE1  TRP  32           1HE      TRP  32  -5.784   9.400  -2.484
  288    HE3  TRP  32           3HE      TRP  32  -9.744  11.069   0.697
  289    HZ2  TRP  32           2HZ      TRP  32  -7.512   7.311  -1.701
  290    HZ3  TRP  32           3HZ      TRP  32 -10.621   8.773   0.828
  291    HH2  TRP  32           HH       TRP  32  -9.526   6.935  -0.347
  292    H    ALA  33           H        ALA  33  -7.123  16.069  -2.457
  293    HA   ALA  33           HA       ALA  33  -7.051  17.824  -0.334
  294   1HB   ALA  33          1HB       ALA  33  -7.097  19.626  -2.144
  295   2HB   ALA  33          2HB       ALA  33  -7.222  18.293  -3.293
  296   3HB   ALA  33          3HB       ALA  33  -5.818  18.417  -2.233
  297    H    ASP  34           H        ASP  34  -9.620  17.487  -2.775
  298    HA   ASP  34           HA       ASP  34 -11.308  19.310  -1.238
  299   1HB   ASP  34          2HB       ASP  34 -12.878  19.005  -3.221
  300   2HB   ASP  34          1HB       ASP  34 -11.349  19.810  -3.553
  301    H    GLY  35           H        GLY  35 -10.696  16.025  -1.350
  302   1HA   GLY  35          2HA       GLY  35 -11.737  14.337  -0.156
  303   2HA   GLY  35          1HA       GLY  35 -13.031  15.459   0.238
  304    H    LEU  36           H        LEU  36 -11.912  14.661  -3.006
  305    HA   LEU  36           HA       LEU  36 -14.580  14.064  -3.847
  306   1HB   LEU  36          2HB       LEU  36 -12.032  14.586  -5.082
  307   2HB   LEU  36          1HB       LEU  36 -12.773  13.177  -5.817
  308    HG   LEU  36           HG       LEU  36 -13.454  15.008  -7.130
  309   1HD1  LEU  36          1HD1      LEU  36 -15.778  14.895  -7.040
  310   2HD1  LEU  36          2HD1      LEU  36 -15.799  14.727  -5.285
  311   3HD1  LEU  36          3HD1      LEU  36 -15.254  13.386  -6.293
  312   1HD2  LEU  36          1HD2      LEU  36 -14.784  16.883  -5.779
  313   2HD2  LEU  36          2HD2      LEU  36 -13.049  16.974  -6.081
  314   3HD2  LEU  36          3HD2      LEU  36 -13.644  16.395  -4.524
  315    H    ALA  37           H        ALA  37 -11.678  12.159  -3.188
  316    HA   ALA  37           HA       ALA  37 -12.617   9.689  -4.137
  317   1HB   ALA  37          1HB       ALA  37 -10.819   8.693  -2.920
  318   2HB   ALA  37          2HB       ALA  37 -10.689  10.095  -1.860
  319   3HB   ALA  37          3HB       ALA  37 -10.250  10.234  -3.562
  320    H    LEU  38           H        LEU  38 -12.722  11.101  -0.875
  321    HA   LEU  38           HA       LEU  38 -14.056   8.885   0.304
  322   1HB   LEU  38          2HB       LEU  38 -14.157  11.707   1.334
  323   2HB   LEU  38          1HB       LEU  38 -14.249  10.215   2.250
  324    HG   LEU  38           HG       LEU  38 -11.742  10.508   0.764
  325   1HD1  LEU  38          1HD1      LEU  38 -12.606  12.875   1.746
  326   2HD1  LEU  38          2HD1      LEU  38 -10.910  12.412   1.613
  327   3HD1  LEU  38          3HD1      LEU  38 -11.758  12.224   3.148
  328   1HD2  LEU  38          1HD2      LEU  38 -11.928   8.761   2.342
  329   2HD2  LEU  38          2HD2      LEU  38 -12.547   9.847   3.585
  330   3HD2  LEU  38          3HD2      LEU  38 -10.865   9.963   3.071
  331    H    CYS  39           H        CYS  39 -15.153  11.981  -1.005
  332    HA   CYS  39           HA       CYS  39 -17.862  11.722  -0.277
  333   1HB   CYS  39          2HB       CYS  39 -16.362  13.363  -2.278
  334   2HB   CYS  39          1HB       CYS  39 -18.119  13.326  -2.345
  335    HG   CYS  39           HG       CYS  39 -18.215  14.452  -0.038
  336    H    ALA  40           H        ALA  40 -16.175  10.969  -3.314
  337    HA   ALA  40           HA       ALA  40 -18.368  10.102  -4.789
  338   1HB   ALA  40          1HB       ALA  40 -16.553  10.309  -6.134
  339   2HB   ALA  40          2HB       ALA  40 -16.467   8.570  -5.852
  340   3HB   ALA  40          3HB       ALA  40 -15.443   9.665  -4.924
  341    H    LEU  41           H        LEU  41 -16.264   8.282  -2.589
  342    HA   LEU  41           HA       LEU  41 -17.300   5.732  -3.081
  343   1HB   LEU  41          2HB       LEU  41 -16.119   6.884  -0.554
  344   2HB   LEU  41          1HB       LEU  41 -16.441   5.179  -0.804
  345    HG   LEU  41           HG       LEU  41 -14.706   6.585  -2.779
  346   1HD1  LEU  41          1HD1      LEU  41 -13.299   5.419  -0.478
  347   2HD1  LEU  41          2HD1      LEU  41 -14.124   6.945  -0.161
  348   3HD1  LEU  41          3HD1      LEU  41 -12.918   6.844  -1.443
  349   1HD2  LEU  41          1HD2      LEU  41 -13.562   4.218  -2.287
  350   2HD2  LEU  41          2HD2      LEU  41 -14.876   4.428  -3.444
  351   3HD2  LEU  41          3HD2      LEU  41 -15.218   3.837  -1.818
  352    H    VAL  42           H        VAL  42 -18.185   8.070  -0.541
  353    HA   VAL  42           HA       VAL  42 -20.238   6.538   0.604
  354    HB   VAL  42           HB       VAL  42 -20.113   9.554   0.520
  355   1HG1  VAL  42          1HG1      VAL  42 -21.469   7.585   2.346
  356   2HG1  VAL  42          2HG1      VAL  42 -22.208   8.858   1.374
  357   3HG1  VAL  42          3HG1      VAL  42 -21.220   9.277   2.774
  358   1HG2  VAL  42          1HG2      VAL  42 -18.115   7.924   1.446
  359   2HG2  VAL  42          2HG2      VAL  42 -19.070   8.215   2.900
  360   3HG2  VAL  42          3HG2      VAL  42 -18.419   9.576   1.985
  361    H    TYR  43           H        TYR  43 -20.397   9.138  -1.823
  362    HA   TYR  43           HA       TYR  43 -23.163   9.156  -2.180
  363   1HB   TYR  43          2HB       TYR  43 -21.479  10.821  -3.079
  364   2HB   TYR  43          1HB       TYR  43 -21.143   9.668  -4.364
  365    HD1  TYR  43           1HD      TYR  43 -23.914  11.612  -2.820
  366    HD2  TYR  43           2HD      TYR  43 -22.443   9.665  -6.302
  367    HE1  TYR  43           1HE      TYR  43 -25.796  12.522  -4.115
  368    HE2  TYR  43           2HE      TYR  43 -24.318  10.570  -7.608
  369    HH   TYR  43           HH       TYR  43 -26.312  13.047  -6.491
  370    H    ARG  44           H        ARG  44 -20.680   7.133  -3.653
  371    HA   ARG  44           HA       ARG  44 -22.285   5.936  -5.626
  372   1HB   ARG  44          2HB       ARG  44 -19.737   5.865  -5.367
  373   2HB   ARG  44          1HB       ARG  44 -20.005   4.547  -4.233
  374   1HG   ARG  44          2HG       ARG  44 -19.499   3.632  -6.384
  375   2HG   ARG  44          1HG       ARG  44 -21.196   3.315  -6.020
  376   1HD   ARG  44          2HD       ARG  44 -21.871   5.177  -7.424
  377   2HD   ARG  44          1HD       ARG  44 -20.183   5.574  -7.742
  378    HE   ARG  44           HE       ARG  44 -21.740   3.494  -8.973
  379   1HH1  ARG  44          1HH1      ARG  44 -18.516   4.571  -8.189
  380   2HH1  ARG  44          2HH1      ARG  44 -17.766   3.653  -9.452
  381   1HH2  ARG  44          1HH2      ARG  44 -20.758   2.286 -10.634
  382   2HH2  ARG  44          2HH2      ARG  44 -19.039   2.356 -10.841
  383    H    LEU  45           H        LEU  45 -21.667   5.063  -2.255
  384    HA   LEU  45           HA       LEU  45 -23.272   2.668  -2.447
  385   1HB   LEU  45          2HB       LEU  45 -21.673   4.007  -0.319
  386   2HB   LEU  45          1HB       LEU  45 -22.921   2.879   0.171
  387    HG   LEU  45           HG       LEU  45 -20.614   1.907  -0.019
  388   1HD1  LEU  45          1HD1      LEU  45 -21.487  -0.116  -0.486
  389   2HD1  LEU  45          2HD1      LEU  45 -22.208   0.424  -2.002
  390   3HD1  LEU  45          3HD1      LEU  45 -23.010   0.773  -0.470
  391   1HD2  LEU  45          1HD2      LEU  45 -21.111   2.332  -2.963
  392   2HD2  LEU  45          2HD2      LEU  45 -19.807   1.363  -2.275
  393   3HD2  LEU  45          3HD2      LEU  45 -19.859   3.102  -1.988
  394    H    GLN  46           H        GLN  46 -23.618   5.940  -1.193
  395    HA   GLN  46           HA       GLN  46 -26.501   5.470  -0.956
  396   1HB   GLN  46          2HB       GLN  46 -24.717   6.636   1.178
  397   2HB   GLN  46          1HB       GLN  46 -26.454   6.906   1.148
  398   1HG   GLN  46          2HG       GLN  46 -25.655   4.098   0.923
  399   2HG   GLN  46          1HG       GLN  46 -25.215   4.874   2.444
  400   1HE2  GLN  46          1HE2      GLN  46 -27.991   4.851   0.226
  401   2HE2  GLN  46          2HE2      GLN  46 -29.188   4.643   1.455
  402    HA   PRO  47           HA       PRO  47 -25.437   9.413  -3.199
  403   1HB   PRO  47          2HB       PRO  47 -26.928   8.924  -5.403
  404   2HB   PRO  47          1HB       PRO  47 -25.270   8.334  -5.229
  405   1HG   PRO  47          2HG       PRO  47 -27.852   6.879  -4.815
  406   2HG   PRO  47          1HG       PRO  47 -26.372   6.326  -5.621
  407   1HD   PRO  47          2HD       PRO  47 -27.022   5.636  -3.071
  408   2HD   PRO  47          1HD       PRO  47 -25.346   5.784  -3.637
  409    H    GLY  48           H        GLY  48 -28.408   7.691  -2.516
  410   1HA   GLY  48          2HA       GLY  48 -30.114   9.969  -2.956
  411   2HA   GLY  48          1HA       GLY  48 -30.586   8.430  -2.255
  412    H    LEU  49           H        LEU  49 -28.012   9.152  -0.468
  413    HA   LEU  49           HA       LEU  49 -29.526  10.843   1.408
  414   1HB   LEU  49          2HB       LEU  49 -27.722   8.535   2.130
  415   2HB   LEU  49          1HB       LEU  49 -28.584   9.562   3.259
  416    HG   LEU  49           HG       LEU  49 -29.927   7.770   1.236
  417   1HD1  LEU  49          1HD1      LEU  49 -29.804   7.279   4.190
  418   2HD1  LEU  49          2HD1      LEU  49 -28.562   6.658   3.103
  419   3HD1  LEU  49          3HD1      LEU  49 -30.242   6.165   2.894
  420   1HD2  LEU  49          1HD2      LEU  49 -31.336   8.704   3.643
  421   2HD2  LEU  49          2HD2      LEU  49 -31.908   8.536   1.983
  422   3HD2  LEU  49          3HD2      LEU  49 -30.965   9.951   2.451
  423    H    LEU  50           H        LEU  50 -27.356  11.406  -0.605
  424    HA   LEU  50           HA       LEU  50 -25.693  12.971   1.197
  425   1HB   LEU  50          2HB       LEU  50 -24.768  10.578  -0.051
  426   2HB   LEU  50          1HB       LEU  50 -23.938  11.936  -0.789
  427    HG   LEU  50           HG       LEU  50 -23.597  12.618   1.768
  428   1HD1  LEU  50          1HD1      LEU  50 -24.731  10.853   2.828
  429   2HD1  LEU  50          2HD1      LEU  50 -23.016  10.470   2.987
  430   3HD1  LEU  50          3HD1      LEU  50 -23.996   9.642   1.777
  431   1HD2  LEU  50          1HD2      LEU  50 -22.020  10.802  -0.006
  432   2HD2  LEU  50          2HD2      LEU  50 -21.442  11.182   1.616
  433   3HD2  LEU  50          3HD2      LEU  50 -21.705  12.476   0.448
  434    H    GLU  51           H        GLU  51 -24.381  14.588   0.013
  435    HA   GLU  51           HA       GLU  51 -25.230  15.166  -2.708
  436   1HB   GLU  51          2HB       GLU  51 -25.538  17.295  -0.598
  437   2HB   GLU  51          1HB       GLU  51 -26.099  17.330  -2.263
  438   1HG   GLU  51          2HG       GLU  51 -27.774  15.673  -1.786
  439   2HG   GLU  51          1HG       GLU  51 -27.153  15.465  -0.149
  440    HA   PRO  52           HA       PRO  52 -20.812  16.332  -1.221
  441   1HB   PRO  52          2HB       PRO  52 -19.545  14.567  -2.918
  442   2HB   PRO  52          1HB       PRO  52 -19.876  14.257  -1.211
  443   1HG   PRO  52          2HG       PRO  52 -21.388  13.365  -3.632
  444   2HG   PRO  52          1HG       PRO  52 -21.015  12.471  -2.147
  445   1HD   PRO  52          2HD       PRO  52 -23.442  13.529  -2.577
  446   2HD   PRO  52          1HD       PRO  52 -22.720  13.488  -0.955
  447    H    SER  53           H        SER  53 -22.582  15.960  -4.168
  448    HA   SER  53           HA       SER  53 -20.819  16.950  -6.061
  449   1HB   SER  53          2HB       SER  53 -23.490  16.266  -6.036
  450   2HB   SER  53          1HB       SER  53 -23.540  17.999  -6.359
  451    HG   SER  53           HG       SER  53 -22.088  17.627  -8.097
  452    H    GLU  54           H        GLU  54 -22.862  18.687  -3.773
  453    HA   GLU  54           HA       GLU  54 -22.173  21.285  -4.730
  454   1HB   GLU  54          2HB       GLU  54 -23.953  20.177  -2.804
  455   2HB   GLU  54          1HB       GLU  54 -22.967  21.383  -1.987
  456   1HG   GLU  54          2HG       GLU  54 -23.729  23.108  -3.342
  457   2HG   GLU  54          1HG       GLU  54 -24.299  22.002  -4.592
  458    H    LEU  55           H        LEU  55 -21.163  19.358  -1.926
  459    HA   LEU  55           HA       LEU  55 -19.266  21.240  -0.977
  460   1HB   LEU  55          2HB       LEU  55 -19.343  18.272  -0.459
  461   2HB   LEU  55          1HB       LEU  55 -18.541  19.487   0.517
  462    HG   LEU  55           HG       LEU  55 -21.409  19.979   0.180
  463   1HD1  LEU  55          1HD1      LEU  55 -20.454  17.462   1.527
  464   2HD1  LEU  55          2HD1      LEU  55 -21.620  17.607   0.213
  465   3HD1  LEU  55          3HD1      LEU  55 -22.028  18.199   1.823
  466   1HD2  LEU  55          1HD2      LEU  55 -20.540  21.290   1.818
  467   2HD2  LEU  55          2HD2      LEU  55 -19.328  20.099   2.286
  468   3HD2  LEU  55          3HD2      LEU  55 -21.001  19.905   2.808
  469    H    GLN  56           H        GLN  56 -19.164  19.200  -3.662
  470    HA   GLN  56           HA       GLN  56 -16.507  18.318  -3.655
  471   1HB   GLN  56          2HB       GLN  56 -18.626  18.681  -5.676
  472   2HB   GLN  56          1HB       GLN  56 -16.984  18.699  -6.304
  473   1HG   GLN  56          2HG       GLN  56 -16.601  16.528  -5.128
  474   2HG   GLN  56          1HG       GLN  56 -18.323  16.503  -4.751
  475   1HE2  GLN  56          1HE2      GLN  56 -16.435  17.330  -7.642
  476   2HE2  GLN  56          2HE2      GLN  56 -17.283  16.269  -8.708
  477    H    GLY  57           H        GLY  57 -17.921  21.401  -4.558
  478   1HA   GLY  57          2HA       GLY  57 -15.179  22.432  -4.947
  479   2HA   GLY  57          1HA       GLY  57 -16.519  22.948  -5.960
  480    H    LEU  58           H        LEU  58 -17.892  22.606  -3.027
  481    HA   LEU  58           HA       LEU  58 -17.941  25.432  -2.560
  482   1HB   LEU  58          2HB       LEU  58 -19.419  23.098  -1.690
  483   2HB   LEU  58          1HB       LEU  58 -19.072  24.164  -0.342
  484    HG   LEU  58           HG       LEU  58 -19.960  25.942  -2.205
  485   1HD1  LEU  58          1HD1      LEU  58 -21.951  25.034  -3.238
  486   2HD1  LEU  58          2HD1      LEU  58 -21.615  23.447  -2.548
  487   3HD1  LEU  58          3HD1      LEU  58 -20.530  24.127  -3.760
  488   1HD2  LEU  58          1HD2      LEU  58 -22.007  24.586  -0.535
  489   2HD2  LEU  58          2HD2      LEU  58 -21.666  26.305  -0.738
  490   3HD2  LEU  58          3HD2      LEU  58 -20.623  25.313   0.280
  491    H    GLY  59           H        GLY  59 -16.245  22.697  -1.228
  492   1HA   GLY  59          2HA       GLY  59 -14.195  24.143  -0.078
  493   2HA   GLY  59          1HA       GLY  59 -15.403  23.960   1.185
  494    H    ALA  60           H        ALA  60 -12.618  22.845   0.736
  495    HA   ALA  60           HA       ALA  60 -12.902  20.037   0.366
  496   1HB   ALA  60          1HB       ALA  60 -10.698  21.793   1.385
  497   2HB   ALA  60          2HB       ALA  60 -10.771  20.851  -0.104
  498   3HB   ALA  60          3HB       ALA  60 -10.566  20.035   1.446
  499    H    LEU  61           H        LEU  61 -12.238  21.989   3.279
  500    HA   LEU  61           HA       LEU  61 -12.392  19.898   5.124
  501   1HB   LEU  61          2HB       LEU  61 -13.083  22.810   5.530
  502   2HB   LEU  61          1HB       LEU  61 -12.777  21.652   6.810
  503    HG   LEU  61           HG       LEU  61 -10.691  22.239   4.731
  504   1HD1  LEU  61          1HD1      LEU  61  -9.802  23.742   6.702
  505   2HD1  LEU  61          2HD1      LEU  61 -11.524  23.899   7.053
  506   3HD1  LEU  61          3HD1      LEU  61 -10.895  24.387   5.479
  507   1HD2  LEU  61          1HD2      LEU  61 -10.770  20.322   6.599
  508   2HD2  LEU  61          2HD2      LEU  61 -10.073  21.628   7.556
  509   3HD2  LEU  61          3HD2      LEU  61  -9.274  21.096   6.076
  510    H    GLU  62           H        GLU  62 -14.907  22.041   3.863
  511    HA   GLU  62           HA       GLU  62 -16.990  21.172   5.544
  512   1HB   GLU  62          2HB       GLU  62 -16.826  22.604   2.936
  513   2HB   GLU  62          1HB       GLU  62 -18.382  21.942   3.415
  514   1HG   GLU  62          2HG       GLU  62 -17.997  23.174   5.631
  515   2HG   GLU  62          1HG       GLU  62 -16.748  24.061   4.755
  516    H    ALA  63           H        ALA  63 -16.014  20.119   2.293
  517    HA   ALA  63           HA       ALA  63 -18.051  18.199   1.965
  518   1HB   ALA  63          1HB       ALA  63 -17.025  17.653  -0.002
  519   2HB   ALA  63          2HB       ALA  63 -15.403  17.787   0.678
  520   3HB   ALA  63          3HB       ALA  63 -16.314  19.243   0.276
  521    H    THR  64           H        THR  64 -14.741  17.952   3.207
  522    HA   THR  64           HA       THR  64 -14.769  15.144   3.561
  523    HB   THR  64           HB       THR  64 -13.116  17.080   5.176
  524    HG1  THR  64           1HG      THR  64 -12.597  17.777   3.231
  525   1HG2  THR  64          1HG2      THR  64 -11.476  15.072   4.370
  526   2HG2  THR  64          2HG2      THR  64 -12.998  14.215   4.620
  527   3HG2  THR  64          3HG2      THR  64 -12.288  15.154   5.933
  528    H    ALA  65           H        ALA  65 -15.252  17.821   5.862
  529    HA   ALA  65           HA       ALA  65 -15.798  16.175   8.088
  530   1HB   ALA  65          1HB       ALA  65 -16.981  18.376   8.880
  531   2HB   ALA  65          2HB       ALA  65 -16.200  19.058   7.452
  532   3HB   ALA  65          3HB       ALA  65 -15.226  18.306   8.717
  533    H    TRP  66           H        TRP  66 -17.925  17.771   5.739
  534    HA   TRP  66           HA       TRP  66 -20.351  16.986   6.967
  535   1HB   TRP  66          2HB       TRP  66 -20.036  18.827   5.245
  536   2HB   TRP  66          1HB       TRP  66 -19.969  17.556   4.027
  537    HD1  TRP  66           HD       TRP  66 -22.400  19.365   6.341
  538    HE1  TRP  66           1HE      TRP  66 -24.807  18.769   5.646
  539    HE3  TRP  66           3HE      TRP  66 -21.377  15.695   2.930
  540    HZ2  TRP  66           2HZ      TRP  66 -26.099  16.981   3.886
  541    HZ3  TRP  66           3HZ      TRP  66 -23.255  14.591   1.786
  542    HH2  TRP  66           HH       TRP  66 -25.566  15.222   2.254
  543    H    ALA  67           H        ALA  67 -18.517  15.632   4.239
  544    HA   ALA  67           HA       ALA  67 -20.277  13.490   3.725
  545   1HB   ALA  67          1HB       ALA  67 -17.322  13.480   3.166
  546   2HB   ALA  67          2HB       ALA  67 -18.481  14.388   2.196
  547   3HB   ALA  67          3HB       ALA  67 -18.598  12.629   2.296
  548    H    LEU  68           H        LEU  68 -17.431  13.782   5.799
  549    HA   LEU  68           HA       LEU  68 -17.220  11.058   6.489
  550   1HB   LEU  68          2HB       LEU  68 -16.248  13.617   7.678
  551   2HB   LEU  68          1HB       LEU  68 -16.126  12.147   8.625
  552    HG   LEU  68           HG       LEU  68 -14.985  12.366   5.848
  553   1HD1  LEU  68          1HD1      LEU  68 -12.811  12.490   7.407
  554   2HD1  LEU  68          2HD1      LEU  68 -13.946  13.389   8.415
  555   3HD1  LEU  68          3HD1      LEU  68 -13.622  13.917   6.763
  556   1HD2  LEU  68          1HD2      LEU  68 -14.930  10.144   6.271
  557   2HD2  LEU  68          2HD2      LEU  68 -14.990  10.362   8.020
  558   3HD2  LEU  68          3HD2      LEU  68 -13.469  10.586   7.156
  559    H    LYS  69           H        LYS  69 -18.876  13.765   8.087
  560    HA   LYS  69           HA       LYS  69 -19.794  12.320  10.317
  561   1HB   LYS  69          2HB       LYS  69 -19.861  14.931   9.578
  562   2HB   LYS  69          1HB       LYS  69 -21.541  14.482   9.317
  563   1HG   LYS  69          2HG       LYS  69 -21.324  13.457  11.716
  564   2HG   LYS  69          1HG       LYS  69 -19.977  14.592  11.847
  565   1HD   LYS  69          2HD       LYS  69 -21.367  16.452  11.549
  566   2HD   LYS  69          1HD       LYS  69 -22.677  15.477  10.879
  567   1HE   LYS  69          2HE       LYS  69 -21.882  14.743  13.604
  568   2HE   LYS  69          1HE       LYS  69 -22.542  16.370  13.452
  569   1HZ   LYS  69          1HZ       LYS  69 -24.481  15.402  12.331
  570   2HZ   LYS  69          2HZ       LYS  69 -24.296  14.810  13.905
  571   3HZ   LYS  69          3HZ       LYS  69 -23.853  13.850  12.584
  572    H    VAL  70           H        VAL  70 -21.389  13.069   7.226
  573    HA   VAL  70           HA       VAL  70 -23.782  11.669   7.839
  574    HB   VAL  70           HB       VAL  70 -22.686  12.295   5.094
  575   1HG1  VAL  70          1HG1      VAL  70 -24.549  10.680   5.162
  576   2HG1  VAL  70          2HG1      VAL  70 -24.991  12.193   4.369
  577   3HG1  VAL  70          3HG1      VAL  70 -25.525  11.874   6.021
  578   1HG2  VAL  70          1HG2      VAL  70 -23.543  14.427   5.207
  579   2HG2  VAL  70          2HG2      VAL  70 -22.977  14.208   6.862
  580   3HG2  VAL  70          3HG2      VAL  70 -24.689  14.015   6.483
  581    H    ALA  71           H        ALA  71 -20.805  10.773   6.152
  582    HA   ALA  71           HA       ALA  71 -21.588   8.313   5.119
  583   1HB   ALA  71          1HB       ALA  71 -19.456   9.394   4.576
  584   2HB   ALA  71          2HB       ALA  71 -19.222   7.727   5.104
  585   3HB   ALA  71          3HB       ALA  71 -18.874   9.059   6.206
  586    H    GLU  72           H        GLU  72 -20.229   9.092   8.300
  587    HA   GLU  72           HA       GLU  72 -20.295   6.415   9.259
  588   1HB   GLU  72          2HB       GLU  72 -19.856   7.399  11.458
  589   2HB   GLU  72          1HB       GLU  72 -18.798   8.088  10.234
  590   1HG   GLU  72          2HG       GLU  72 -20.022  10.110  10.183
  591   2HG   GLU  72          1HG       GLU  72 -21.335   9.418  11.134
  592    H    ASN  73           H        ASN  73 -22.511   9.138   9.386
  593    HA   ASN  73           HA       ASN  73 -24.328   7.981  11.227
  594   1HB   ASN  73          2HB       ASN  73 -24.145  10.402   9.648
  595   2HB   ASN  73          1HB       ASN  73 -25.788   9.766   9.646
  596   1HD2  ASN  73          1HD2      ASN  73 -27.026  10.066  11.384
  597   2HD2  ASN  73          2HD2      ASN  73 -26.494  10.759  12.874
  598    H    GLU  74           H        GLU  74 -24.177   8.040   7.694
  599    HA   GLU  74           HA       GLU  74 -26.675   6.645   7.401
  600   1HB   GLU  74          2HB       GLU  74 -24.692   7.893   5.631
  601   2HB   GLU  74          1HB       GLU  74 -25.468   6.467   4.954
  602   1HG   GLU  74          2HG       GLU  74 -26.754   8.304   4.260
  603   2HG   GLU  74          1HG       GLU  74 -27.672   7.527   5.549
  604    H    LEU  75           H        LEU  75 -23.241   5.774   7.073
  605    HA   LEU  75           HA       LEU  75 -24.013   3.011   6.522
  606   1HB   LEU  75          2HB       LEU  75 -21.707   4.677   5.942
  607   2HB   LEU  75          1HB       LEU  75 -21.239   3.118   6.591
  608    HG   LEU  75           HG       LEU  75 -22.545   2.000   4.824
  609   1HD1  LEU  75          1HD1      LEU  75 -24.205   3.773   4.477
  610   2HD1  LEU  75          2HD1      LEU  75 -23.443   3.276   2.967
  611   3HD1  LEU  75          3HD1      LEU  75 -22.959   4.783   3.744
  612   1HD2  LEU  75          1HD2      LEU  75 -21.093   2.793   2.895
  613   2HD2  LEU  75          2HD2      LEU  75 -20.254   2.244   4.345
  614   3HD2  LEU  75          3HD2      LEU  75 -20.422   3.969   4.022
  615    H    GLY  76           H        GLY  76 -22.320   4.906   8.978
  616   1HA   GLY  76          2HA       GLY  76 -22.346   4.291  11.281
  617   2HA   GLY  76          1HA       GLY  76 -22.620   2.625  10.800
  618    H    ILE  77           H        ILE  77 -20.179   4.437   9.151
  619    HA   ILE  77           HA       ILE  77 -18.146   2.673  10.265
  620    HB   ILE  77           HB       ILE  77 -17.810   4.726   8.079
  621   1HG1  ILE  77          2HG1      ILE  77 -18.201   1.779   7.621
  622   2HG1  ILE  77          1HG1      ILE  77 -19.583   2.868   7.720
  623   1HG2  ILE  77          1HG2      ILE  77 -15.885   3.451   9.456
  624   2HG2  ILE  77          2HG2      ILE  77 -15.724   3.928   7.767
  625   3HG2  ILE  77          3HG2      ILE  77 -16.178   2.274   8.176
  626   1HD1  ILE  77          1HD1      ILE  77 -17.404   3.650   5.888
  627   2HD1  ILE  77          2HD1      ILE  77 -19.152   3.809   5.714
  628   3HD1  ILE  77          3HD1      ILE  77 -18.376   2.250   5.430
  629    H    THR  78           H        THR  78 -16.806   3.273  11.827
  630    HA   THR  78           HA       THR  78 -16.865   5.922  12.900
  631    HB   THR  78           HB       THR  78 -16.578   3.951  14.334
  632    HG1  THR  78           1HG      THR  78 -15.616   6.061  14.859
  633   1HG2  THR  78          1HG2      THR  78 -15.152   2.635  12.768
  634   2HG2  THR  78          2HG2      THR  78 -14.575   2.683  14.434
  635   3HG2  THR  78          3HG2      THR  78 -13.806   3.688  13.207
  636    HA   PRO  79           HA       PRO  79 -13.838   7.658  10.078
  637   1HB   PRO  79          2HB       PRO  79 -13.611   9.634  12.293
  638   2HB   PRO  79          1HB       PRO  79 -13.873   9.903  10.567
  639   1HG   PRO  79          2HG       PRO  79 -15.876  10.173  12.298
  640   2HG   PRO  79          1HG       PRO  79 -16.143   9.443  10.705
  641   1HD   PRO  79          2HD       PRO  79 -15.923   8.132  13.379
  642   2HD   PRO  79          1HD       PRO  79 -16.965   7.721  12.002
  643    H    VAL  80           H        VAL  80 -11.613   7.742   9.948
  644    HA   VAL  80           HA       VAL  80 -10.114   7.055  12.388
  645    HB   VAL  80           HB       VAL  80  -9.509   5.946   9.646
  646   1HG1  VAL  80          1HG1      VAL  80  -8.269   4.321  11.395
  647   2HG1  VAL  80          2HG1      VAL  80  -8.181   5.846  12.275
  648   3HG1  VAL  80          3HG1      VAL  80  -7.502   5.724  10.652
  649   1HG2  VAL  80          1HG2      VAL  80 -10.380   4.094  11.747
  650   2HG2  VAL  80          2HG2      VAL  80 -10.790   4.141  10.032
  651   3HG2  VAL  80          3HG2      VAL  80 -11.635   5.190  11.170
  652    H    VAL  81           H        VAL  81 -10.576   9.412  10.224
  653    HA   VAL  81           HA       VAL  81  -7.897  10.473  10.615
  654    HB   VAL  81           HB       VAL  81  -7.672  11.140   8.240
  655   1HG1  VAL  81          1HG1      VAL  81  -7.931   8.171   8.219
  656   2HG1  VAL  81          2HG1      VAL  81  -6.806   8.924   9.350
  657   3HG1  VAL  81          3HG1      VAL  81  -6.627   9.194   7.615
  658   1HG2  VAL  81          1HG2      VAL  81  -9.905  11.102   7.451
  659   2HG2  VAL  81          2HG2      VAL  81 -10.119   9.416   7.926
  660   3HG2  VAL  81          3HG2      VAL  81  -9.052   9.825   6.581
  661    H    SER  82           H        SER  82  -7.754  12.779  10.077
  662    HA   SER  82           HA       SER  82 -10.333  14.098  10.537
  663   1HB   SER  82          2HB       SER  82  -7.525  14.693  11.289
  664   2HB   SER  82          1HB       SER  82  -8.544  16.082  10.911
  665    HG   SER  82           HG       SER  82  -8.794  15.661  13.070
  666    H    ALA  83           H        ALA  83 -10.854  16.045   9.391
  667    HA   ALA  83           HA       ALA  83 -10.510  15.870   6.621
  668   1HB   ALA  83          1HB       ALA  83 -12.396  17.042   7.120
  669   2HB   ALA  83          2HB       ALA  83 -11.301  18.392   6.825
  670   3HB   ALA  83          3HB       ALA  83 -11.648  17.883   8.477
  671    H    GLN  84           H        GLN  84  -8.908  17.942   9.013
  672    HA   GLN  84           HA       GLN  84  -7.440  19.555   7.297
  673   1HB   GLN  84          2HB       GLN  84  -7.646  19.793   9.794
  674   2HB   GLN  84          1HB       GLN  84  -6.460  18.504   9.953
  675   1HG   GLN  84          2HG       GLN  84  -4.843  19.875   8.700
  676   2HG   GLN  84          1HG       GLN  84  -6.031  21.176   8.636
  677   1HE2  GLN  84          1HE2      GLN  84  -3.318  20.418  10.078
  678   2HE2  GLN  84          2HE2      GLN  84  -3.560  21.086  11.653
  679    H    ALA  85           H        ALA  85  -6.690  16.333   8.543
  680    HA   ALA  85           HA       ALA  85  -4.075  16.193   7.450
  681   1HB   ALA  85          1HB       ALA  85  -4.726  13.604   7.675
  682   2HB   ALA  85          2HB       ALA  85  -5.966  14.308   8.714
  683   3HB   ALA  85          3HB       ALA  85  -4.259  14.605   9.051
  684    H    VAL  86           H        VAL  86  -7.262  15.294   6.248
  685    HA   VAL  86           HA       VAL  86  -6.391  13.873   3.966
  686    HB   VAL  86           HB       VAL  86  -8.980  15.404   4.213
  687   1HG1  VAL  86          1HG1      VAL  86  -9.554  13.132   2.878
  688   2HG1  VAL  86          2HG1      VAL  86  -7.892  13.397   2.354
  689   3HG1  VAL  86          3HG1      VAL  86  -9.109  14.646   2.094
  690   1HG2  VAL  86          1HG2      VAL  86  -9.543  12.791   4.853
  691   2HG2  VAL  86          2HG2      VAL  86  -9.405  14.125   5.998
  692   3HG2  VAL  86          3HG2      VAL  86  -8.018  13.079   5.688
  693    H    VAL  87           H        VAL  87  -7.510  17.237   4.345
  694    HA   VAL  87           HA       VAL  87  -7.093  17.987   1.662
  695    HB   VAL  87           HB       VAL  87  -6.975  19.826   4.051
  696   1HG1  VAL  87          1HG1      VAL  87  -8.259  20.742   1.595
  697   2HG1  VAL  87          2HG1      VAL  87  -6.547  20.367   1.398
  698   3HG1  VAL  87          3HG1      VAL  87  -7.060  21.537   2.614
  699   1HG2  VAL  87          1HG2      VAL  87  -9.503  20.081   3.234
  700   2HG2  VAL  87          2HG2      VAL  87  -9.016  18.921   4.470
  701   3HG2  VAL  87          3HG2      VAL  87  -9.246  18.391   2.804
  702    H    ALA  88           H        ALA  88  -4.932  17.715   4.371
  703    HA   ALA  88           HA       ALA  88  -2.849  19.298   3.140
  704   1HB   ALA  88          1HB       ALA  88  -2.381  17.500   5.479
  705   2HB   ALA  88          2HB       ALA  88  -3.339  18.968   5.672
  706   3HB   ALA  88          3HB       ALA  88  -1.671  19.072   5.110
  707    H    GLY  89           H        GLY  89  -3.937  16.087   2.895
  708   1HA   GLY  89          2HA       GLY  89  -3.073  14.217   1.887
  709   2HA   GLY  89          1HA       GLY  89  -2.082  15.338   0.965
  710    H    SER  90           H        SER  90  -1.840  15.171   4.435
  711    HA   SER  90           HA       SER  90   0.781  13.858   4.137
  712   1HB   SER  90          2HB       SER  90   0.415  16.394   5.001
  713   2HB   SER  90          1HB       SER  90   0.297  15.531   6.534
  714    HG   SER  90           HG       SER  90   2.464  16.197   5.881
  715    H    ASP  91           H        ASP  91  -1.502  12.320   4.439
  716    HA   ASP  91           HA       ASP  91  -0.956  11.082   7.023
  717   1HB   ASP  91          2HB       ASP  91  -3.104  12.697   6.892
  718   2HB   ASP  91          1HB       ASP  91  -3.830  11.210   6.286
  719    HA   PRO  92           HA       PRO  92  -1.368   8.218   3.287
  720   1HB   PRO  92          2HB       PRO  92   0.989   6.907   3.814
  721   2HB   PRO  92          1HB       PRO  92   0.843   8.283   2.717
  722   1HG   PRO  92          2HG       PRO  92   1.748   8.219   5.567
  723   2HG   PRO  92          1HG       PRO  92   2.411   9.135   4.200
  724   1HD   PRO  92          2HD       PRO  92   0.828  10.291   6.038
  725   2HD   PRO  92          1HD       PRO  92   0.761  10.757   4.327
  726    H    LEU  93           H        LEU  93  -0.099   7.567   6.547
  727    HA   LEU  93           HA       LEU  93  -0.823   4.858   6.659
  728   1HB   LEU  93          2HB       LEU  93  -0.118   6.954   8.640
  729   2HB   LEU  93          1HB       LEU  93  -0.931   5.526   9.249
  730    HG   LEU  93           HG       LEU  93   0.995   4.352   7.771
  731   1HD1  LEU  93          1HD1      LEU  93   2.118   6.987   8.697
  732   2HD1  LEU  93          2HD1      LEU  93   2.081   6.346   7.054
  733   3HD1  LEU  93          3HD1      LEU  93   3.110   5.591   8.272
  734   1HD2  LEU  93          1HD2      LEU  93   2.325   4.573  10.081
  735   2HD2  LEU  93          2HD2      LEU  93   0.905   3.546   9.885
  736   3HD2  LEU  93          3HD2      LEU  93   0.742   5.146  10.607
  737    H    GLY  94           H        GLY  94  -2.600   7.796   7.467
  738   1HA   GLY  94          2HA       GLY  94  -4.843   6.409   8.591
  739   2HA   GLY  94          1HA       GLY  94  -4.779   8.111   8.161
  740    H    LEU  95           H        LEU  95  -4.101   7.782   5.421
  741    HA   LEU  95           HA       LEU  95  -6.656   7.523   4.292
  742   1HB   LEU  95          2HB       LEU  95  -3.887   7.771   3.236
  743   2HB   LEU  95          1HB       LEU  95  -5.135   7.240   2.124
  744    HG   LEU  95           HG       LEU  95  -5.803   9.641   3.703
  745   1HD1  LEU  95          1HD1      LEU  95  -3.281   9.717   2.971
  746   2HD1  LEU  95          2HD1      LEU  95  -4.328  11.121   2.770
  747   3HD1  LEU  95          3HD1      LEU  95  -3.979  10.077   1.392
  748   1HD2  LEU  95          1HD2      LEU  95  -6.804  10.336   1.652
  749   2HD2  LEU  95          2HD2      LEU  95  -7.201   8.636   1.894
  750   3HD2  LEU  95          3HD2      LEU  95  -5.943   9.092   0.746
  751    H    ILE  96           H        ILE  96  -3.921   5.274   4.403
  752    HA   ILE  96           HA       ILE  96  -5.134   3.261   2.821
  753    HB   ILE  96           HB       ILE  96  -2.992   2.895   4.918
  754   1HG1  ILE  96          2HG1      ILE  96  -2.447   3.215   1.987
  755   2HG1  ILE  96          1HG1      ILE  96  -2.665   4.644   2.992
  756   1HG2  ILE  96          1HG2      ILE  96  -3.430   0.744   4.399
  757   2HG2  ILE  96          2HG2      ILE  96  -2.443   1.105   2.983
  758   3HG2  ILE  96          3HG2      ILE  96  -4.203   1.157   2.869
  759   1HD1  ILE  96          1HD1      ILE  96  -0.705   4.342   4.087
  760   2HD1  ILE  96          2HD1      ILE  96  -0.293   3.569   2.556
  761   3HD1  ILE  96          3HD1      ILE  96  -0.764   2.585   3.941
  762    H    ALA  97           H        ALA  97  -4.866   3.726   6.331
  763    HA   ALA  97           HA       ALA  97  -6.165   1.357   7.096
  764   1HB   ALA  97          1HB       ALA  97  -5.673   3.978   8.451
  765   2HB   ALA  97          2HB       ALA  97  -4.990   2.392   8.806
  766   3HB   ALA  97          3HB       ALA  97  -6.667   2.742   9.223
  767    H    TYR  98           H        TYR  98  -7.419   4.633   6.559
  768    HA   TYR  98           HA       TYR  98 -10.087   4.085   7.271
  769   1HB   TYR  98          2HB       TYR  98  -9.065   6.367   7.017
  770   2HB   TYR  98          1HB       TYR  98  -9.144   6.147   5.272
  771    HD1  TYR  98           1HD      TYR  98 -10.861   7.323   8.135
  772    HD2  TYR  98           2HD      TYR  98 -11.495   5.620   4.289
  773    HE1  TYR  98           1HE      TYR  98 -13.164   8.187   8.139
  774    HE2  TYR  98           2HE      TYR  98 -13.799   6.480   4.281
  775    HH   TYR  98           HH       TYR  98 -15.074   8.343   5.391
  776    H    LEU  99           H        LEU  99  -8.457   4.094   4.115
  777    HA   LEU  99           HA       LEU  99 -10.707   3.453   2.564
  778   1HB   LEU  99          2HB       LEU  99  -8.216   4.159   1.955
  779   2HB   LEU  99          1HB       LEU  99  -8.030   2.425   1.769
  780    HG   LEU  99           HG       LEU  99 -10.272   3.837   0.374
  781   1HD1  LEU  99          1HD1      LEU  99  -8.572   3.837  -1.602
  782   2HD1  LEU  99          2HD1      LEU  99  -7.371   3.911  -0.315
  783   3HD1  LEU  99          3HD1      LEU  99  -8.593   5.175  -0.454
  784   1HD2  LEU  99          1HD2      LEU  99 -10.471   1.930  -0.811
  785   2HD2  LEU  99          2HD2      LEU  99  -9.649   1.226   0.581
  786   3HD2  LEU  99          3HD2      LEU  99  -8.730   1.653  -0.863
  787    H    SER 100           H        SER 100  -8.499   1.468   4.417
  788    HA   SER 100           HA       SER 100  -9.120  -1.037   3.330
  789   1HB   SER 100          2HB       SER 100  -7.401  -0.166   5.250
  790   2HB   SER 100          1HB       SER 100  -8.622  -0.965   6.241
  791    HG   SER 100           HG       SER 100  -6.836  -2.036   4.401
  792    H    HIS 101           H        HIS 101 -10.618   0.777   5.978
  793    HA   HIS 101           HA       HIS 101 -12.481  -1.231   6.697
  794   1HB   HIS 101          2HB       HIS 101 -11.922   1.528   7.430
  795   2HB   HIS 101          1HB       HIS 101 -13.651   1.204   7.379
  796    HD1  HIS 101           1HD      HIS 101 -13.388  -1.795   8.403
  797    HD2  HIS 101           2HD      HIS 101 -11.731   1.571  10.187
  798    HE1  HIS 101           1HE      HIS 101 -13.041  -2.415  10.816
  799    HE2  HIS 101           2HE      HIS 101 -11.962  -0.391  11.856
  800    H    PHE 102           H        PHE 102 -12.733   1.629   4.608
  801    HA   PHE 102           HA       PHE 102 -15.443   1.326   3.938
  802   1HB   PHE 102          2HB       PHE 102 -13.256   3.010   3.160
  803   2HB   PHE 102          1HB       PHE 102 -14.090   2.455   1.712
  804    HD1  PHE 102           1HD      PHE 102 -14.568   4.179   4.949
  805    HD2  PHE 102           2HD      PHE 102 -16.174   3.342   1.098
  806    HE1  PHE 102           1HE      PHE 102 -16.316   5.871   5.315
  807    HE2  PHE 102           2HE      PHE 102 -17.925   5.033   1.457
  808    HZ   PHE 102           HZ       PHE 102 -17.998   6.301   3.568
  809    H    HIS 103           H        HIS 103 -12.505   0.001   2.510
  810    HA   HIS 103           HA       HIS 103 -13.747  -1.148   0.235
  811   1HB   HIS 103          2HB       HIS 103 -11.281  -0.698   0.511
  812   2HB   HIS 103          1HB       HIS 103 -11.212  -2.095   1.580
  813    HD1  HIS 103           1HD      HIS 103  -9.446  -2.497  -0.653
  814    HD2  HIS 103           2HD      HIS 103 -13.516  -3.225  -1.063
  815    HE1  HIS 103           1HE      HIS 103  -9.657  -4.040  -2.628
  816    HE2  HIS 103           2HE      HIS 103 -12.136  -4.393  -2.912
  817    H    SER 104           H        SER 104 -12.968  -2.383   3.457
  818    HA   SER 104           HA       SER 104 -13.629  -5.064   3.052
  819   1HB   SER 104          2HB       SER 104 -12.651  -3.697   5.148
  820   2HB   SER 104          1HB       SER 104 -14.325  -3.859   5.679
  821    HG   SER 104           HG       SER 104 -14.026  -6.171   5.157
  822    H    ALA 105           H        ALA 105 -15.663  -2.333   4.030
  823    HA   ALA 105           HA       ALA 105 -18.033  -3.891   4.324
  824   1HB   ALA 105          1HB       ALA 105 -18.320  -1.018   3.732
  825   2HB   ALA 105          2HB       ALA 105 -17.333  -1.421   5.137
  826   3HB   ALA 105          3HB       ALA 105 -19.001  -1.983   5.040
  827    H    PHE 106           H        PHE 106 -16.516  -2.174   1.688
  828    HA   PHE 106           HA       PHE 106 -18.784  -2.232  -0.052
  829   1HB   PHE 106          2HB       PHE 106 -15.860  -1.635  -0.408
  830   2HB   PHE 106          1HB       PHE 106 -16.910  -1.800  -1.810
  831    HD1  PHE 106           1HD      PHE 106 -17.993  -0.344   1.399
  832    HD2  PHE 106           2HD      PHE 106 -16.705   0.432  -2.582
  833    HE1  PHE 106           1HE      PHE 106 -18.677   2.005   1.641
  834    HE2  PHE 106           2HE      PHE 106 -17.386   2.785  -2.347
  835    HZ   PHE 106           HZ       PHE 106 -18.374   3.574  -0.233
  836    H    LYS 107           H        LYS 107 -16.108  -4.366   0.635
  837    HA   LYS 107           HA       LYS 107 -16.695  -6.082  -1.634
  838   1HB   LYS 107          2HB       LYS 107 -14.368  -5.524  -0.434
  839   2HB   LYS 107          1HB       LYS 107 -14.815  -6.943   0.502
  840   1HG   LYS 107          2HG       LYS 107 -14.714  -8.350  -1.335
  841   2HG   LYS 107          1HG       LYS 107 -14.879  -7.020  -2.485
  842   1HD   LYS 107          2HD       LYS 107 -12.651  -6.258  -2.011
  843   2HD   LYS 107          1HD       LYS 107 -12.483  -7.429  -0.700
  844   1HE   LYS 107          2HE       LYS 107 -12.762  -9.246  -2.382
  845   2HE   LYS 107          1HE       LYS 107 -12.736  -8.016  -3.647
  846   1HZ   LYS 107          1HZ       LYS 107 -10.566  -9.184  -3.120
  847   2HZ   LYS 107          2HZ       LYS 107 -10.535  -8.284  -1.688
  848   3HZ   LYS 107          3HZ       LYS 107 -10.521  -7.494  -3.183
  849    H    SER 108           H        SER 108 -17.208  -5.975   1.825
  850    HA   SER 108           HA       SER 108 -17.874  -8.638   2.311
  851   1HB   SER 108          2HB       SER 108 -17.554  -6.841   4.043
  852   2HB   SER 108          1HB       SER 108 -19.160  -6.240   3.631
  853    HG   SER 108           HG       SER 108 -20.056  -8.098   4.394
  854    H    MET 109           H        MET 109 -19.783  -6.015   0.960
  855    HA   MET 109           HA       MET 109 -22.148  -7.731   0.835
  856   1HB   MET 109          2HB       MET 109 -21.753  -4.804   0.191
  857   2HB   MET 109          1HB       MET 109 -23.276  -5.660  -0.006
  858   1HG   MET 109          2HG       MET 109 -22.583  -6.238   2.586
  859   2HG   MET 109          1HG       MET 109 -22.030  -4.575   2.388
  860   1HE   MET 109          1HE       MET 109 -24.412  -5.476   4.486
  861   2HE   MET 109          2HE       MET 109 -25.387  -4.023   4.262
  862   3HE   MET 109          3HE       MET 109 -23.627  -3.906   4.310
  Start of MODEL    4
    1   1H    MET  -8          1HT       MET  -8  20.060  -6.280  11.417
    2   2H    MET  -8          2HT       MET  -8  20.825  -7.628  12.155
    3   3H    MET  -8          3HT       MET  -8  19.375  -6.991  12.817
    4    HA   MET  -8           HA       MET  -8  18.709  -8.862  11.716
    5   1HB   MET  -8          2HB       MET  -8  18.319  -6.279  10.271
    6   2HB   MET  -8          1HB       MET  -8  17.723  -7.747   9.509
    7   1HG   MET  -8          2HG       MET  -8  16.678  -8.119  11.916
    8   2HG   MET  -8          1HG       MET  -8  16.792  -6.361  11.953
    9   1HE   MET  -8          1HE       MET  -8  14.036  -5.632  11.771
   10   2HE   MET  -8          2HE       MET  -8  14.275  -7.215  12.510
   11   3HE   MET  -8          3HE       MET  -8  13.038  -6.998  11.272
   12    H    GLY  -7           H        GLY  -7  18.429  -9.766   9.327
   13   1HA   GLY  -7          2HA       GLY  -7  21.171 -10.063   8.279
   14   2HA   GLY  -7          1HA       GLY  -7  19.929 -11.304   8.196
   15    H    HIS  -6           H        HIS  -6  20.412  -7.920   7.177
   16    HA   HIS  -6           HA       HIS  -6  18.635  -8.180   4.956
   17   1HB   HIS  -6          2HB       HIS  -6  20.706  -6.044   5.515
   18   2HB   HIS  -6          1HB       HIS  -6  19.390  -5.930   4.351
   19    HD1  HIS  -6           1HD      HIS  -6  19.618  -3.854   6.576
   20    HD2  HIS  -6           2HD      HIS  -6  17.367  -7.332   6.891
   21    HE1  HIS  -6           1HE      HIS  -6  17.892  -3.380   8.344
   22    HE2  HIS  -6           2HE      HIS  -6  16.488  -5.470   8.455
   23    H    HIS  -5           H        HIS  -5  19.152  -9.530   3.350
   24    HA   HIS  -5           HA       HIS  -5  21.808  -9.232   2.119
   25   1HB   HIS  -5          2HB       HIS  -5  21.245 -11.430   3.492
   26   2HB   HIS  -5          1HB       HIS  -5  20.424 -11.874   1.999
   27    HD1  HIS  -5           1HD      HIS  -5  23.796 -10.184   2.530
   28    HD2  HIS  -5           2HD      HIS  -5  22.133 -13.544   0.738
   29    HE1  HIS  -5           1HE      HIS  -5  25.700 -11.331   1.357
   30    HE2  HIS  -5           2HE      HIS  -5  24.689 -13.414   0.362
   31    H    HIS  -4           H        HIS  -4  18.467 -10.337   1.640
   32    HA   HIS  -4           HA       HIS  -4  18.532  -9.184  -1.045
   33   1HB   HIS  -4          2HB       HIS  -4  17.673 -12.019  -0.437
   34   2HB   HIS  -4          1HB       HIS  -4  17.386 -11.198  -1.968
   35    HD1  HIS  -4           1HD      HIS  -4  19.326 -11.050  -3.603
   36    HD2  HIS  -4           2HD      HIS  -4  20.391 -12.691   0.064
   37    HE1  HIS  -4           1HE      HIS  -4  21.640 -11.981  -3.930
   38    HE2  HIS  -4           2HE      HIS  -4  22.231 -13.041  -1.722
   39    H    HIS  -3           H        HIS  -3  16.703  -8.138  -1.568
   40    HA   HIS  -3           HA       HIS  -3  14.327  -8.592   0.114
   41   1HB   HIS  -3          2HB       HIS  -3  15.705  -6.046  -0.618
   42   2HB   HIS  -3          1HB       HIS  -3  13.953  -6.032  -0.457
   43    HD1  HIS  -3           1HD      HIS  -3  13.536  -7.770   1.985
   44    HD2  HIS  -3           2HD      HIS  -3  16.566  -4.942   1.698
   45    HE1  HIS  -3           1HE      HIS  -3  14.143  -7.193   4.356
   46    HE2  HIS  -3           2HE      HIS  -3  15.914  -5.413   4.156
   47    H    HIS  -2           H        HIS  -2  12.427  -7.208  -1.035
   48    HA   HIS  -2           HA       HIS  -2  12.287  -8.306  -3.755
   49   1HB   HIS  -2          2HB       HIS  -2  10.549  -8.648  -1.702
   50   2HB   HIS  -2          1HB       HIS  -2   9.829  -7.251  -2.496
   51    HD1  HIS  -2           1HD      HIS  -2  11.527 -10.060  -4.350
   52    HD2  HIS  -2           2HD      HIS  -2   7.708  -8.585  -3.641
   53    HE1  HIS  -2           1HE      HIS  -2  10.012 -11.339  -5.899
   54    HE2  HIS  -2           2HE      HIS  -2   7.695 -10.498  -5.380
   55    H    HIS  -1           H        HIS  -1  11.071  -7.035  -5.367
   56    HA   HIS  -1           HA       HIS  -1  11.874  -4.232  -5.218
   57   1HB   HIS  -1          2HB       HIS  -1  11.213  -4.255  -7.674
   58   2HB   HIS  -1          1HB       HIS  -1  12.580  -5.272  -7.230
   59    HD1  HIS  -1           1HD      HIS  -1  12.379  -7.746  -7.677
   60    HD2  HIS  -1           2HD      HIS  -1   8.801  -5.710  -8.234
   61    HE1  HIS  -1           1HE      HIS  -1  10.821  -9.407  -8.744
   62    HE2  HIS  -1           2HE      HIS  -1   8.634  -8.180  -8.986
   63    H    MET   0           H        MET   0   9.020  -6.236  -5.383
   64    HA   MET   0           HA       MET   0   7.337  -3.820  -5.399
   65   1HB   MET   0          2HB       MET   0   7.107  -5.746  -7.165
   66   2HB   MET   0          1HB       MET   0   6.249  -6.570  -5.872
   67   1HG   MET   0          2HG       MET   0   4.596  -5.518  -7.148
   68   2HG   MET   0          1HG       MET   0   4.787  -4.515  -5.712
   69   1HE   MET   0          1HE       MET   0   3.332  -3.178  -8.414
   70   2HE   MET   0          2HE       MET   0   4.110  -4.594  -9.122
   71   3HE   MET   0          3HE       MET   0   4.482  -2.982  -9.736
   72    H    GLY   1           H        GLY   1   7.151  -3.280  -3.281
   73   1HA   GLY   1          2HA       GLY   1   5.689  -5.164  -1.590
   74   2HA   GLY   1          1HA       GLY   1   7.236  -4.587  -0.987
   75    H    SER   2           H        SER   2   7.472  -2.361  -0.470
   76    HA   SER   2           HA       SER   2   5.197  -1.227   0.760
   77   1HB   SER   2          2HB       SER   2   7.504  -0.840   1.561
   78   2HB   SER   2          1HB       SER   2   7.842   0.094   0.103
   79    HG   SER   2           HG       SER   2   5.929   0.708   2.107
   80    H    ALA   3           H        ALA   3   6.882  -0.527  -2.265
   81    HA   ALA   3           HA       ALA   3   4.961   1.580  -2.894
   82   1HB   ALA   3          1HB       ALA   3   7.000   0.856  -4.891
   83   2HB   ALA   3          2HB       ALA   3   7.615   1.450  -3.349
   84   3HB   ALA   3          3HB       ALA   3   6.502   2.439  -4.296
   85    H    GLY   4           H        GLY   4   4.447  -1.448  -2.874
   86   1HA   GLY   4          2HA       GLY   4   3.427  -1.632  -5.640
   87   2HA   GLY   4          1HA       GLY   4   3.932  -3.024  -4.695
   88    H    THR   5           H        THR   5   2.689  -2.124  -2.238
   89    HA   THR   5           HA       THR   5   0.092  -3.209  -2.660
   90    HB   THR   5           HB       THR   5   1.187  -3.633  -0.569
   91    HG1  THR   5           1HG      THR   5  -0.889  -1.777  -0.048
   92   1HG2  THR   5          1HG2      THR   5   2.638  -1.793  -0.265
   93   2HG2  THR   5          2HG2      THR   5   1.509  -1.787   1.090
   94   3HG2  THR   5          3HG2      THR   5   1.294  -0.651  -0.241
   95    H    GLN   6           H        GLN   6   1.342   0.045  -2.109
   96    HA   GLN   6           HA       GLN   6  -1.132   1.343  -1.777
   97   1HB   GLN   6          2HB       GLN   6   1.625   2.220  -2.530
   98   2HB   GLN   6          1HB       GLN   6   0.293   3.352  -2.714
   99   1HG   GLN   6          2HG       GLN   6  -0.266   2.819  -0.284
  100   2HG   GLN   6          1HG       GLN   6   1.334   2.082  -0.209
  101   1HE2  GLN   6          1HE2      GLN   6  -0.456   5.033  -0.478
  102   2HE2  GLN   6          2HE2      GLN   6   0.873   6.107  -0.228
  103    H    GLU   7           H        GLU   7   0.672   0.400  -4.626
  104    HA   GLU   7           HA       GLU   7  -0.687   1.971  -6.521
  105   1HB   GLU   7          2HB       GLU   7   1.468   0.639  -6.822
  106   2HB   GLU   7          1HB       GLU   7   0.443  -0.770  -7.060
  107   1HG   GLU   7          2HG       GLU   7  -0.655   1.047  -8.783
  108   2HG   GLU   7          1HG       GLU   7   1.064   1.428  -8.869
  109    H    GLU   8           H        GLU   8  -1.285  -1.354  -5.402
  110    HA   GLU   8           HA       GLU   8  -3.468  -1.853  -7.103
  111   1HB   GLU   8          2HB       GLU   8  -3.939  -3.758  -5.712
  112   2HB   GLU   8          1HB       GLU   8  -2.196  -3.604  -5.880
  113   1HG   GLU   8          2HG       GLU   8  -1.896  -3.339  -3.691
  114   2HG   GLU   8          1HG       GLU   8  -3.246  -2.217  -3.545
  115    H    LEU   9           H        LEU   9  -3.231  -0.238  -4.014
  116    HA   LEU   9           HA       LEU   9  -5.992  -0.268  -3.377
  117   1HB   LEU   9          2HB       LEU   9  -3.718   1.505  -2.513
  118   2HB   LEU   9          1HB       LEU   9  -5.350   1.715  -1.913
  119    HG   LEU   9           HG       LEU   9  -3.648  -0.753  -1.560
  120   1HD1  LEU   9          1HD1      LEU   9  -4.610   0.815   0.744
  121   2HD1  LEU   9          2HD1      LEU   9  -3.346   1.562  -0.235
  122   3HD1  LEU   9          3HD1      LEU   9  -3.076  -0.020   0.494
  123   1HD2  LEU   9          1HD2      LEU   9  -5.671  -1.028   0.188
  124   2HD2  LEU   9          2HD2      LEU   9  -5.685  -1.720  -1.433
  125   3HD2  LEU   9          3HD2      LEU   9  -6.510  -0.193  -1.119
  126    H    LEU  10           H        LEU  10  -3.923   2.096  -5.018
  127    HA   LEU  10           HA       LEU  10  -5.892   4.076  -5.372
  128   1HB   LEU  10          2HB       LEU  10  -3.263   3.455  -6.629
  129   2HB   LEU  10          1HB       LEU  10  -4.310   4.610  -7.429
  130    HG   LEU  10           HG       LEU  10  -4.368   5.619  -4.933
  131   1HD1  LEU  10          1HD1      LEU  10  -1.839   4.048  -5.180
  132   2HD1  LEU  10          2HD1      LEU  10  -2.913   4.235  -3.794
  133   3HD1  LEU  10          3HD1      LEU  10  -1.859   5.564  -4.278
  134   1HD2  LEU  10          1HD2      LEU  10  -3.833   7.179  -6.483
  135   2HD2  LEU  10          2HD2      LEU  10  -2.717   6.110  -7.334
  136   3HD2  LEU  10          3HD2      LEU  10  -2.209   6.912  -5.848
  137    H    ARG  11           H        ARG  11  -5.032   1.235  -7.242
  138    HA   ARG  11           HA       ARG  11  -6.505   1.860  -9.570
  139   1HB   ARG  11          2HB       ARG  11  -5.832  -0.873  -8.463
  140   2HB   ARG  11          1HB       ARG  11  -6.298  -0.508 -10.119
  141   1HG   ARG  11          2HG       ARG  11  -3.949   0.929  -9.042
  142   2HG   ARG  11          1HG       ARG  11  -3.766  -0.798  -9.361
  143   1HD   ARG  11          2HD       ARG  11  -3.267  -0.113 -11.443
  144   2HD   ARG  11          1HD       ARG  11  -5.018  -0.003 -11.621
  145    HE   ARG  11           HE       ARG  11  -4.353   2.431 -10.663
  146   1HH1  ARG  11          1HH1      ARG  11  -3.158   0.525 -13.331
  147   2HH1  ARG  11          2HH1      ARG  11  -2.731   1.905 -14.287
  148   1HH2  ARG  11          1HH2      ARG  11  -3.794   4.246 -11.919
  149   2HH2  ARG  11          2HH2      ARG  11  -3.091   4.017 -13.486
  150    H    TRP  12           H        TRP  12  -7.333   0.035  -6.646
  151    HA   TRP  12           HA       TRP  12  -9.937  -0.696  -7.494
  152   1HB   TRP  12          2HB       TRP  12  -8.734  -1.865  -5.683
  153   2HB   TRP  12          1HB       TRP  12  -8.854  -0.422  -4.681
  154    HD1  TRP  12           HD       TRP  12 -10.870  -3.404  -5.883
  155    HE1  TRP  12           1HE      TRP  12 -13.109  -3.471  -4.617
  156    HE3  TRP  12           3HE      TRP  12 -10.621   1.138  -3.550
  157    HZ2  TRP  12           2HZ      TRP  12 -14.575  -1.819  -2.859
  158    HZ3  TRP  12           3HZ      TRP  12 -12.483   1.820  -2.093
  159    HH2  TRP  12           HH       TRP  12 -14.419   0.371  -1.757
  160    H    CYS  13           H        CYS  13  -8.662   2.017  -5.635
  161    HA   CYS  13           HA       CYS  13 -11.156   3.136  -4.918
  162   1HB   CYS  13          2HB       CYS  13  -8.619   3.648  -4.182
  163   2HB   CYS  13          1HB       CYS  13  -8.854   4.961  -5.331
  164    HG   CYS  13           HG       CYS  13 -11.144   5.202  -3.586
  165    H    GLN  14           H        GLN  14  -8.955   3.754  -7.627
  166    HA   GLN  14           HA       GLN  14 -10.373   5.878  -8.777
  167   1HB   GLN  14          2HB       GLN  14  -8.038   5.141  -9.357
  168   2HB   GLN  14          1HB       GLN  14  -8.748   3.816 -10.268
  169   1HG   GLN  14          2HG       GLN  14 -10.071   6.010 -11.251
  170   2HG   GLN  14          1HG       GLN  14  -8.441   6.619 -10.974
  171   1HE2  GLN  14          1HE2      GLN  14 -10.263   5.572 -13.325
  172   2HE2  GLN  14          2HE2      GLN  14  -9.130   4.689 -14.286
  173    H    GLU  15           H        GLU  15 -10.646   2.381  -9.239
  174    HA   GLU  15           HA       GLU  15 -12.534   2.492 -11.343
  175   1HB   GLU  15          2HB       GLU  15 -11.294   0.458  -9.692
  176   2HB   GLU  15          1HB       GLU  15 -12.998   0.109  -9.941
  177   1HG   GLU  15          2HG       GLU  15 -11.192   0.797 -12.229
  178   2HG   GLU  15          1HG       GLU  15 -11.309  -0.845 -11.602
  179    H    GLN  16           H        GLN  16 -12.881   2.138  -7.831
  180    HA   GLN  16           HA       GLN  16 -15.706   1.939  -7.837
  181   1HB   GLN  16          2HB       GLN  16 -13.653   2.568  -5.741
  182   2HB   GLN  16          1HB       GLN  16 -15.365   2.730  -5.379
  183   1HG   GLN  16          2HG       GLN  16 -13.960   0.229  -6.284
  184   2HG   GLN  16          1HG       GLN  16 -14.544   0.577  -4.658
  185   1HE2  GLN  16          1HE2      GLN  16 -16.996   1.512  -4.968
  186   2HE2  GLN  16          2HE2      GLN  16 -18.021   0.372  -5.763
  187    H    THR  17           H        THR  17 -13.485   4.638  -7.814
  188    HA   THR  17           HA       THR  17 -15.593   6.560  -7.273
  189    HB   THR  17           HB       THR  17 -12.685   7.013  -7.969
  190    HG1  THR  17           1HG      THR  17 -14.030   6.736  -5.502
  191   1HG2  THR  17          1HG2      THR  17 -13.179   9.164  -8.057
  192   2HG2  THR  17          2HG2      THR  17 -13.644   9.077  -6.358
  193   3HG2  THR  17          3HG2      THR  17 -14.858   8.852  -7.619
  194    H    ALA  18           H        ALA  18 -14.989   4.823  -9.894
  195    HA   ALA  18           HA       ALA  18 -14.821   6.854 -11.916
  196   1HB   ALA  18          1HB       ALA  18 -15.330   4.920 -13.457
  197   2HB   ALA  18          2HB       ALA  18 -15.350   3.894 -12.022
  198   3HB   ALA  18          3HB       ALA  18 -13.877   4.756 -12.470
  199    H    GLY  19           H        GLY  19 -16.438   8.005 -12.742
  200   1HA   GLY  19          2HA       GLY  19 -18.844   7.380 -13.665
  201   2HA   GLY  19          1HA       GLY  19 -19.170   7.368 -11.939
  202    H    TYR  20           H        TYR  20 -17.210   9.550 -11.479
  203    HA   TYR  20           HA       TYR  20 -19.022  11.739 -12.079
  204   1HB   TYR  20          2HB       TYR  20 -16.455  11.819 -10.490
  205   2HB   TYR  20          1HB       TYR  20 -17.742  13.019 -10.489
  206    HD1  TYR  20           1HD      TYR  20 -19.585  12.816  -9.026
  207    HD2  TYR  20           2HD      TYR  20 -16.920   9.536  -9.517
  208    HE1  TYR  20           1HE      TYR  20 -20.656  11.671  -7.134
  209    HE2  TYR  20           2HE      TYR  20 -17.985   8.382  -7.625
  210    HH   TYR  20           HH       TYR  20 -20.626   8.681  -6.536
  211    HA   PRO  21           HA       PRO  21 -16.556  12.836 -15.666
  212   1HB   PRO  21          2HB       PRO  21 -18.159  15.308 -15.645
  213   2HB   PRO  21          1HB       PRO  21 -18.023  14.068 -16.893
  214   1HG   PRO  21          2HG       PRO  21 -20.247  14.345 -15.417
  215   2HG   PRO  21          1HG       PRO  21 -19.676  12.757 -15.959
  216   1HD   PRO  21          2HD       PRO  21 -19.414  14.051 -13.270
  217   2HD   PRO  21          1HD       PRO  21 -19.794  12.363 -13.679
  218    H    GLY  22           H        GLY  22 -14.881  13.156 -13.777
  219   1HA   GLY  22          2HA       GLY  22 -13.259  15.236 -14.225
  220   2HA   GLY  22          1HA       GLY  22 -14.420  15.950 -13.121
  221    H    VAL  23           H        VAL  23 -14.738  13.343 -11.696
  222    HA   VAL  23           HA       VAL  23 -12.601  13.758  -9.817
  223    HB   VAL  23           HB       VAL  23 -14.664  11.558  -9.766
  224   1HG1  VAL  23          1HG1      VAL  23 -12.593  11.502  -8.262
  225   2HG1  VAL  23          2HG1      VAL  23 -14.172  11.320  -7.494
  226   3HG1  VAL  23          3HG1      VAL  23 -13.330  12.868  -7.422
  227   1HG2  VAL  23          1HG2      VAL  23 -15.627  13.882  -9.980
  228   2HG2  VAL  23          2HG2      VAL  23 -14.893  14.239  -8.417
  229   3HG2  VAL  23          3HG2      VAL  23 -16.119  12.979  -8.548
  230    H    HIS  24           H        HIS  24 -10.699  12.794  -9.825
  231    HA   HIS  24           HA       HIS  24 -10.452  10.112 -10.997
  232   1HB   HIS  24          2HB       HIS  24  -9.347  12.493 -12.073
  233   2HB   HIS  24          1HB       HIS  24  -8.012  11.567 -11.395
  234    HD1  HIS  24           1HD      HIS  24 -10.683  11.385 -14.030
  235    HD2  HIS  24           2HD      HIS  24  -7.337   9.260 -12.782
  236    HE1  HIS  24           1HE      HIS  24 -10.247   9.694 -15.839
  237    HE2  HIS  24           2HE      HIS  24  -8.179   8.464 -15.095
  238    H    VAL  25           H        VAL  25  -9.775   8.766  -9.472
  239    HA   VAL  25           HA       VAL  25  -8.270   9.817  -7.197
  240    HB   VAL  25           HB       VAL  25  -9.408   7.042  -7.509
  241   1HG1  VAL  25          1HG1      VAL  25  -9.357   7.231  -4.960
  242   2HG1  VAL  25          2HG1      VAL  25  -8.288   8.612  -5.210
  243   3HG1  VAL  25          3HG1      VAL  25  -7.815   7.016  -5.792
  244   1HG2  VAL  25          1HG2      VAL  25 -10.665   9.521  -6.350
  245   2HG2  VAL  25          2HG2      VAL  25 -11.260   7.888  -6.056
  246   3HG2  VAL  25          3HG2      VAL  25 -11.255   8.544  -7.694
  247    H    SER  26           H        SER  26  -6.215  10.035  -8.143
  248    HA   SER  26           HA       SER  26  -4.746   7.530  -8.295
  249   1HB   SER  26          2HB       SER  26  -5.548   8.555 -10.649
  250   2HB   SER  26          1HB       SER  26  -4.059   9.476 -10.430
  251    HG   SER  26           HG       SER  26  -4.413   6.824 -11.018
  252    H    ASP  27           H        ASP  27  -5.003  10.060  -6.624
  253    HA   ASP  27           HA       ASP  27  -2.123  10.508  -6.353
  254   1HB   ASP  27          2HB       ASP  27  -4.101  12.782  -6.167
  255   2HB   ASP  27          1HB       ASP  27  -2.343  12.879  -6.173
  256    H    LEU  28           H        LEU  28  -1.419  10.719  -4.259
  257    HA   LEU  28           HA       LEU  28  -3.412  10.142  -2.204
  258   1HB   LEU  28          2HB       LEU  28  -0.678   9.390  -2.669
  259   2HB   LEU  28          1HB       LEU  28  -0.820  10.134  -1.089
  260    HG   LEU  28           HG       LEU  28  -2.943   8.412  -1.068
  261   1HD1  LEU  28          1HD1      LEU  28  -2.523   6.450  -2.151
  262   2HD1  LEU  28          2HD1      LEU  28  -0.778   6.708  -2.181
  263   3HD1  LEU  28          3HD1      LEU  28  -1.819   7.583  -3.304
  264   1HD2  LEU  28          1HD2      LEU  28  -1.078   6.883   0.088
  265   2HD2  LEU  28          2HD2      LEU  28  -1.729   8.339   0.841
  266   3HD2  LEU  28          3HD2      LEU  28  -0.184   8.401  -0.006
  267    H    SER  29           H        SER  29  -3.349  12.792  -3.232
  268    HA   SER  29           HA       SER  29  -3.053  14.222  -0.757
  269   1HB   SER  29          2HB       SER  29  -1.178  14.722  -3.055
  270   2HB   SER  29          1HB       SER  29  -1.583  16.005  -1.916
  271    HG   SER  29           HG       SER  29  -0.257  13.562  -1.428
  272    H    SER  30           H        SER  30  -2.871  15.453  -4.078
  273    HA   SER  30           HA       SER  30  -4.851  17.394  -3.712
  274   1HB   SER  30          2HB       SER  30  -3.579  16.162  -6.136
  275   2HB   SER  30          1HB       SER  30  -4.915  17.299  -6.319
  276    HG   SER  30           HG       SER  30  -2.478  17.789  -4.947
  277    H    SER  31           H        SER  31  -5.060  14.110  -4.988
  278    HA   SER  31           HA       SER  31  -7.618  14.124  -6.026
  279   1HB   SER  31          2HB       SER  31  -5.991  12.219  -6.133
  280   2HB   SER  31          1HB       SER  31  -6.412  11.835  -4.464
  281    HG   SER  31           HG       SER  31  -8.080  11.768  -6.750
  282    H    TRP  32           H        TRP  32  -6.617  14.104  -2.683
  283    HA   TRP  32           HA       TRP  32  -9.433  13.856  -1.857
  284   1HB   TRP  32          2HB       TRP  32  -7.015  13.532  -0.081
  285   2HB   TRP  32          1HB       TRP  32  -8.678  13.075   0.270
  286    HD1  TRP  32           HD       TRP  32  -5.913  12.080  -2.272
  287    HE1  TRP  32           1HE      TRP  32  -6.122   9.554  -2.715
  288    HE3  TRP  32           3HE      TRP  32 -10.037  11.094   0.582
  289    HZ2  TRP  32           2HZ      TRP  32  -7.812   7.423  -1.954
  290    HZ3  TRP  32           3HZ      TRP  32 -10.886   8.786   0.672
  291    HH2  TRP  32           HH       TRP  32  -9.795   6.990  -0.572
  292    H    ALA  33           H        ALA  33  -7.573  16.262  -2.679
  293    HA   ALA  33           HA       ALA  33  -7.264  17.955  -0.492
  294   1HB   ALA  33          1HB       ALA  33  -7.776  18.595  -3.389
  295   2HB   ALA  33          2HB       ALA  33  -6.220  18.503  -2.564
  296   3HB   ALA  33          3HB       ALA  33  -7.350  19.802  -2.177
  297    H    ASP  34           H        ASP  34  -9.949  17.940  -2.849
  298    HA   ASP  34           HA       ASP  34 -11.544  19.578  -1.052
  299   1HB   ASP  34          2HB       ASP  34 -13.220  19.480  -2.942
  300   2HB   ASP  34          1HB       ASP  34 -11.674  20.222  -3.344
  301    H    GLY  35           H        GLY  35 -10.854  16.463  -0.934
  302   1HA   GLY  35          2HA       GLY  35 -11.883  14.653   0.029
  303   2HA   GLY  35          1HA       GLY  35 -13.145  15.757   0.555
  304    H    LEU  36           H        LEU  36 -12.265  15.213  -2.801
  305    HA   LEU  36           HA       LEU  36 -14.975  14.596  -3.478
  306   1HB   LEU  36          2HB       LEU  36 -12.501  15.213  -4.877
  307   2HB   LEU  36          1HB       LEU  36 -13.411  13.946  -5.680
  308    HG   LEU  36           HG       LEU  36 -13.899  16.235  -6.523
  309   1HD1  LEU  36          1HD1      LEU  36 -15.527  14.201  -6.427
  310   2HD1  LEU  36          2HD1      LEU  36 -16.125  15.794  -6.896
  311   3HD1  LEU  36          3HD1      LEU  36 -16.394  15.197  -5.257
  312   1HD2  LEU  36          1HD2      LEU  36 -14.113  16.807  -3.756
  313   2HD2  LEU  36          2HD2      LEU  36 -15.699  17.070  -4.482
  314   3HD2  LEU  36          3HD2      LEU  36 -14.287  17.909  -5.121
  315    H    ALA  37           H        ALA  37 -12.010  12.745  -3.077
  316    HA   ALA  37           HA       ALA  37 -12.915  10.327  -4.201
  317   1HB   ALA  37          1HB       ALA  37 -11.027  10.059  -1.979
  318   2HB   ALA  37          2HB       ALA  37 -10.538  11.218  -3.215
  319   3HB   ALA  37          3HB       ALA  37 -10.884   9.548  -3.661
  320    H    LEU  38           H        LEU  38 -12.900  11.481  -0.837
  321    HA   LEU  38           HA       LEU  38 -14.055   9.153   0.269
  322   1HB   LEU  38          2HB       LEU  38 -12.995  11.502   1.255
  323   2HB   LEU  38          1HB       LEU  38 -14.693  11.640   1.667
  324    HG   LEU  38           HG       LEU  38 -14.325   9.184   2.581
  325   1HD1  LEU  38          1HD1      LEU  38 -11.926   9.462   3.728
  326   2HD1  LEU  38          2HD1      LEU  38 -11.604  10.263   2.191
  327   3HD1  LEU  38          3HD1      LEU  38 -12.174   8.593   2.212
  328   1HD2  LEU  38          1HD2      LEU  38 -13.948  10.122   4.774
  329   2HD2  LEU  38          2HD2      LEU  38 -15.044  11.165   3.867
  330   3HD2  LEU  38          3HD2      LEU  38 -13.352  11.621   4.064
  331    H    CYS  39           H        CYS  39 -15.466  12.232  -0.789
  332    HA   CYS  39           HA       CYS  39 -18.129  11.570  -0.086
  333   1HB   CYS  39          2HB       CYS  39 -16.782  13.819  -1.102
  334   2HB   CYS  39          1HB       CYS  39 -18.004  13.418  -2.302
  335    HG   CYS  39           HG       CYS  39 -19.623  14.516  -0.847
  336    H    ALA  40           H        ALA  40 -16.238  11.198  -3.039
  337    HA   ALA  40           HA       ALA  40 -18.284  10.473  -4.795
  338   1HB   ALA  40          1HB       ALA  40 -15.388   9.640  -4.732
  339   2HB   ALA  40          2HB       ALA  40 -16.102  10.975  -5.637
  340   3HB   ALA  40          3HB       ALA  40 -16.484   9.310  -6.074
  341    H    LEU  41           H        LEU  41 -16.429   8.529  -2.501
  342    HA   LEU  41           HA       LEU  41 -17.479   6.023  -3.332
  343   1HB   LEU  41          2HB       LEU  41 -15.793   7.036  -1.147
  344   2HB   LEU  41          1HB       LEU  41 -16.748   5.626  -0.728
  345    HG   LEU  41           HG       LEU  41 -15.762   4.656  -2.959
  346   1HD1  LEU  41          1HD1      LEU  41 -14.627   7.066  -3.183
  347   2HD1  LEU  41          2HD1      LEU  41 -13.895   5.595  -3.824
  348   3HD1  LEU  41          3HD1      LEU  41 -13.364   6.240  -2.271
  349   1HD2  LEU  41          1HD2      LEU  41 -13.750   3.885  -1.624
  350   2HD2  LEU  41          2HD2      LEU  41 -15.333   3.580  -0.906
  351   3HD2  LEU  41          3HD2      LEU  41 -14.341   4.919  -0.323
  352    H    VAL  42           H        VAL  42 -18.242   8.149  -0.578
  353    HA   VAL  42           HA       VAL  42 -20.308   6.594   0.495
  354    HB   VAL  42           HB       VAL  42 -20.110   9.605   0.603
  355   1HG1  VAL  42          1HG1      VAL  42 -21.677   9.583   2.220
  356   2HG1  VAL  42          2HG1      VAL  42 -21.102   8.062   2.903
  357   3HG1  VAL  42          3HG1      VAL  42 -22.141   8.051   1.479
  358   1HG2  VAL  42          1HG2      VAL  42 -18.149   7.867   1.393
  359   2HG2  VAL  42          2HG2      VAL  42 -19.080   8.080   2.875
  360   3HG2  VAL  42          3HG2      VAL  42 -18.404   9.484   2.050
  361    H    TYR  43           H        TYR  43 -20.462   9.352  -1.750
  362    HA   TYR  43           HA       TYR  43 -23.224   9.466  -2.054
  363   1HB   TYR  43          2HB       TYR  43 -21.687  11.192  -2.893
  364   2HB   TYR  43          1HB       TYR  43 -21.104  10.076  -4.125
  365    HD1  TYR  43           1HD      TYR  43 -22.061  10.152  -6.231
  366    HD2  TYR  43           2HD      TYR  43 -24.285  11.615  -2.913
  367    HE1  TYR  43           1HE      TYR  43 -23.830  10.913  -7.759
  368    HE2  TYR  43           2HE      TYR  43 -26.062  12.378  -4.431
  369    HH   TYR  43           HH       TYR  43 -26.174  11.467  -7.733
  370    H    ARG  44           H        ARG  44 -20.846   7.435  -3.676
  371    HA   ARG  44           HA       ARG  44 -22.531   6.386  -5.667
  372   1HB   ARG  44          2HB       ARG  44 -20.054   6.188  -5.654
  373   2HB   ARG  44          1HB       ARG  44 -20.178   5.034  -4.333
  374   1HG   ARG  44          2HG       ARG  44 -20.011   3.599  -6.088
  375   2HG   ARG  44          1HG       ARG  44 -21.765   3.786  -6.025
  376   1HD   ARG  44          2HD       ARG  44 -21.271   5.793  -7.657
  377   2HD   ARG  44          1HD       ARG  44 -19.802   4.875  -7.983
  378    HE   ARG  44           HE       ARG  44 -22.204   3.304  -8.141
  379   1HH1  ARG  44          1HH1      ARG  44 -20.053   5.421  -9.892
  380   2HH1  ARG  44          2HH1      ARG  44 -20.503   4.800 -11.444
  381   1HH2  ARG  44          1HH2      ARG  44 -22.795   2.484 -10.180
  382   2HH2  ARG  44          2HH2      ARG  44 -22.059   3.133 -11.609
  383    H    LEU  45           H        LEU  45 -21.845   5.323  -2.363
  384    HA   LEU  45           HA       LEU  45 -23.431   2.953  -2.551
  385   1HB   LEU  45          2HB       LEU  45 -21.985   4.406  -0.405
  386   2HB   LEU  45          1HB       LEU  45 -23.277   3.334   0.094
  387    HG   LEU  45           HG       LEU  45 -21.002   2.303   0.118
  388   1HD1  LEU  45          1HD1      LEU  45 -22.633   0.844  -1.906
  389   2HD1  LEU  45          2HD1      LEU  45 -23.296   1.124  -0.295
  390   3HD1  LEU  45          3HD1      LEU  45 -21.787   0.231  -0.485
  391   1HD2  LEU  45          1HD2      LEU  45 -20.255   3.490  -1.974
  392   2HD2  LEU  45          2HD2      LEU  45 -21.225   2.330  -2.882
  393   3HD2  LEU  45          3HD2      LEU  45 -19.874   1.770  -1.895
  394    H    GLN  46           H        GLN  46 -23.961   6.235  -1.390
  395    HA   GLN  46           HA       GLN  46 -26.843   5.689  -1.348
  396   1HB   GLN  46          2HB       GLN  46 -25.162   6.496   0.913
  397   2HB   GLN  46          1HB       GLN  46 -26.555   7.542   0.667
  398   1HG   GLN  46          2HG       GLN  46 -27.968   6.018   1.450
  399   2HG   GLN  46          1HG       GLN  46 -27.242   4.728   0.493
  400   1HE2  GLN  46          1HE2      GLN  46 -28.076   5.294   3.456
  401   2HE2  GLN  46          2HE2      GLN  46 -26.776   4.585   4.346
  402    HA   PRO  47           HA       PRO  47 -25.711   9.484  -3.817
  403   1HB   PRO  47          2HB       PRO  47 -27.376   8.890  -5.894
  404   2HB   PRO  47          1HB       PRO  47 -25.700   8.339  -5.804
  405   1HG   PRO  47          2HG       PRO  47 -28.218   6.866  -5.133
  406   2HG   PRO  47          1HG       PRO  47 -26.784   6.293  -6.005
  407   1HD   PRO  47          2HD       PRO  47 -27.220   5.697  -3.410
  408   2HD   PRO  47          1HD       PRO  47 -25.586   5.942  -4.061
  409    H    GLY  48           H        GLY  48 -28.718   7.931  -2.914
  410   1HA   GLY  48          2HA       GLY  48 -30.284  10.337  -3.329
  411   2HA   GLY  48          1HA       GLY  48 -30.867   8.806  -2.694
  412    H    LEU  49           H        LEU  49 -28.133   9.481  -0.993
  413    HA   LEU  49           HA       LEU  49 -29.558  11.092   1.014
  414   1HB   LEU  49          2HB       LEU  49 -28.273   8.427   1.314
  415   2HB   LEU  49          1HB       LEU  49 -28.102   9.564   2.638
  416    HG   LEU  49           HG       LEU  49 -30.760   8.721   1.488
  417   1HD1  LEU  49          1HD1      LEU  49 -29.486   6.843   2.522
  418   2HD1  LEU  49          2HD1      LEU  49 -31.000   7.231   3.338
  419   3HD1  LEU  49          3HD1      LEU  49 -29.466   7.757   4.030
  420   1HD2  LEU  49          1HD2      LEU  49 -30.282  10.944   2.868
  421   2HD2  LEU  49          2HD2      LEU  49 -30.418   9.819   4.220
  422   3HD2  LEU  49          3HD2      LEU  49 -31.755   9.997   3.085
  423    H    LEU  50           H        LEU  50 -27.525  11.797  -0.989
  424    HA   LEU  50           HA       LEU  50 -25.682  13.114   0.822
  425   1HB   LEU  50          2HB       LEU  50 -24.896  10.943  -1.027
  426   2HB   LEU  50          1HB       LEU  50 -23.862  12.358  -1.018
  427    HG   LEU  50           HG       LEU  50 -24.265  11.744   1.684
  428   1HD1  LEU  50          1HD1      LEU  50 -23.398   9.232   0.305
  429   2HD1  LEU  50          2HD1      LEU  50 -25.093   9.519   0.700
  430   3HD1  LEU  50          3HD1      LEU  50 -23.883   9.472   1.983
  431   1HD2  LEU  50          1HD2      LEU  50 -21.831  10.726   0.360
  432   2HD2  LEU  50          2HD2      LEU  50 -22.009  11.807   1.743
  433   3HD2  LEU  50          3HD2      LEU  50 -22.208  12.431   0.105
  434    H    GLU  51           H        GLU  51 -24.076  14.477  -0.608
  435    HA   GLU  51           HA       GLU  51 -25.068  15.374  -3.135
  436   1HB   GLU  51          2HB       GLU  51 -25.629  16.965  -0.652
  437   2HB   GLU  51          1HB       GLU  51 -25.366  17.786  -2.184
  438   1HG   GLU  51          2HG       GLU  51 -27.179  16.128  -3.057
  439   2HG   GLU  51          1HG       GLU  51 -27.598  15.998  -1.349
  440    HA   PRO  52           HA       PRO  52 -20.523  15.972  -1.957
  441   1HB   PRO  52          2HB       PRO  52 -19.653  14.821  -4.314
  442   2HB   PRO  52          1HB       PRO  52 -19.822  13.968  -2.778
  443   1HG   PRO  52          2HG       PRO  52 -21.698  14.068  -5.103
  444   2HG   PRO  52          1HG       PRO  52 -21.251  12.689  -4.084
  445   1HD   PRO  52          2HD       PRO  52 -23.580  13.958  -3.747
  446   2HD   PRO  52          1HD       PRO  52 -22.656  13.350  -2.356
  447    H    SER  53           H        SER  53 -22.308  16.405  -4.983
  448    HA   SER  53           HA       SER  53 -20.578  18.106  -6.316
  449   1HB   SER  53          2HB       SER  53 -23.552  18.533  -6.408
  450   2HB   SER  53          1HB       SER  53 -22.375  18.661  -7.714
  451    HG   SER  53           HG       SER  53 -22.915  16.684  -8.149
  452    H    GLU  54           H        GLU  54 -22.862  18.831  -3.745
  453    HA   GLU  54           HA       GLU  54 -22.659  21.662  -3.972
  454   1HB   GLU  54          2HB       GLU  54 -24.472  20.201  -2.801
  455   2HB   GLU  54          1HB       GLU  54 -23.390  20.274  -1.417
  456   1HG   GLU  54          2HG       GLU  54 -23.776  22.483  -1.052
  457   2HG   GLU  54          1HG       GLU  54 -24.079  22.827  -2.754
  458    H    LEU  55           H        LEU  55 -21.213  19.318  -1.719
  459    HA   LEU  55           HA       LEU  55 -19.572  21.338  -0.484
  460   1HB   LEU  55          2HB       LEU  55 -19.253  18.372  -0.146
  461   2HB   LEU  55          1HB       LEU  55 -18.832  19.647   0.981
  462    HG   LEU  55           HG       LEU  55 -21.698  19.268   0.225
  463   1HD1  LEU  55          1HD1      LEU  55 -21.102  17.036   0.772
  464   2HD1  LEU  55          2HD1      LEU  55 -21.885  17.723   2.196
  465   3HD1  LEU  55          3HD1      LEU  55 -20.129  17.563   2.145
  466   1HD2  LEU  55          1HD2      LEU  55 -20.518  19.961   2.894
  467   2HD2  LEU  55          2HD2      LEU  55 -22.133  20.302   2.276
  468   3HD2  LEU  55          3HD2      LEU  55 -20.742  21.178   1.638
  469    H    GLN  56           H        GLN  56 -19.302  19.541  -3.308
  470    HA   GLN  56           HA       GLN  56 -16.604  18.823  -3.356
  471   1HB   GLN  56          2HB       GLN  56 -18.195  18.024  -5.017
  472   2HB   GLN  56          1HB       GLN  56 -18.407  19.659  -5.630
  473   1HG   GLN  56          2HG       GLN  56 -15.665  19.193  -5.764
  474   2HG   GLN  56          1HG       GLN  56 -16.415  17.686  -6.289
  475   1HE2  GLN  56          1HE2      GLN  56 -16.321  21.158  -6.851
  476   2HE2  GLN  56          2HE2      GLN  56 -16.801  21.090  -8.508
  477    H    GLY  57           H        GLY  57 -18.155  21.912  -3.978
  478   1HA   GLY  57          2HA       GLY  57 -15.465  23.065  -4.392
  479   2HA   GLY  57          1HA       GLY  57 -16.897  23.667  -5.212
  480    H    LEU  58           H        LEU  58 -18.450  23.269  -2.636
  481    HA   LEU  58           HA       LEU  58 -18.351  25.886  -1.703
  482   1HB   LEU  58          2HB       LEU  58 -19.670  23.406  -0.940
  483   2HB   LEU  58          1HB       LEU  58 -19.313  24.421   0.445
  484    HG   LEU  58           HG       LEU  58 -20.421  26.309  -0.925
  485   1HD1  LEU  58          1HD1      LEU  58 -21.617  25.837  -2.773
  486   2HD1  LEU  58          2HD1      LEU  58 -22.086  24.237  -2.194
  487   3HD1  LEU  58          3HD1      LEU  58 -20.489  24.487  -2.903
  488   1HD2  LEU  58          1HD2      LEU  58 -22.030  24.023   0.204
  489   2HD2  LEU  58          2HD2      LEU  58 -22.642  25.650  -0.094
  490   3HD2  LEU  58          3HD2      LEU  58 -21.375  25.391   1.105
  491    H    GLY  59           H        GLY  59 -16.618  23.027  -0.623
  492   1HA   GLY  59          2HA       GLY  59 -14.475  24.415   0.473
  493   2HA   GLY  59          1HA       GLY  59 -15.608  24.138   1.787
  494    H    ALA  60           H        ALA  60 -12.881  23.093   1.317
  495    HA   ALA  60           HA       ALA  60 -13.163  20.301   0.709
  496   1HB   ALA  60          1HB       ALA  60 -10.865  21.846   1.906
  497   2HB   ALA  60          2HB       ALA  60 -11.080  21.417   0.209
  498   3HB   ALA  60          3HB       ALA  60 -10.799  20.155   1.409
  499    H    LEU  61           H        LEU  61 -12.363  22.102   3.684
  500    HA   LEU  61           HA       LEU  61 -12.403  19.906   5.415
  501   1HB   LEU  61          2HB       LEU  61 -11.446  22.079   6.012
  502   2HB   LEU  61          1HB       LEU  61 -13.046  22.795   6.001
  503    HG   LEU  61           HG       LEU  61 -13.317  20.708   7.792
  504   1HD1  LEU  61          1HD1      LEU  61 -10.781  20.525   7.632
  505   2HD1  LEU  61          2HD1      LEU  61 -11.480  20.671   9.245
  506   3HD1  LEU  61          3HD1      LEU  61 -10.734  22.073   8.478
  507   1HD2  LEU  61          1HD2      LEU  61 -12.707  23.626   8.238
  508   2HD2  LEU  61          2HD2      LEU  61 -13.260  22.527   9.501
  509   3HD2  LEU  61          3HD2      LEU  61 -14.295  22.865   8.114
  510    H    GLU  62           H        GLU  62 -14.983  22.117   4.427
  511    HA   GLU  62           HA       GLU  62 -16.965  21.140   6.169
  512   1HB   GLU  62          2HB       GLU  62 -16.823  23.203   4.412
  513   2HB   GLU  62          1HB       GLU  62 -17.859  22.097   3.522
  514   1HG   GLU  62          2HG       GLU  62 -19.593  22.384   4.919
  515   2HG   GLU  62          1HG       GLU  62 -18.564  22.483   6.348
  516    H    ALA  63           H        ALA  63 -16.177  20.295   2.808
  517    HA   ALA  63           HA       ALA  63 -18.228  18.393   2.472
  518   1HB   ALA  63          1HB       ALA  63 -17.250  17.888   0.442
  519   2HB   ALA  63          2HB       ALA  63 -15.613  18.150   1.045
  520   3HB   ALA  63          3HB       ALA  63 -16.668  19.527   0.728
  521    H    THR  64           H        THR  64 -14.855  18.076   3.509
  522    HA   THR  64           HA       THR  64 -14.868  15.253   3.701
  523    HB   THR  64           HB       THR  64 -13.124  17.059   5.361
  524    HG1  THR  64           1HG      THR  64 -12.706  16.376   2.644
  525   1HG2  THR  64          1HG2      THR  64 -12.714  14.758   5.790
  526   2HG2  THR  64          2HG2      THR  64 -11.401  15.359   4.779
  527   3HG2  THR  64          3HG2      THR  64 -12.687  14.384   4.068
  528    H    ALA  65           H        ALA  65 -15.221  17.788   6.178
  529    HA   ALA  65           HA       ALA  65 -15.631  16.036   8.342
  530   1HB   ALA  65          1HB       ALA  65 -15.926  17.902   9.603
  531   2HB   ALA  65          2HB       ALA  65 -16.940  18.693   8.396
  532   3HB   ALA  65          3HB       ALA  65 -15.189  18.654   8.188
  533    H    TRP  66           H        TRP  66 -17.908  17.674   6.172
  534    HA   TRP  66           HA       TRP  66 -20.255  16.767   7.470
  535   1HB   TRP  66          2HB       TRP  66 -20.047  18.687   5.808
  536   2HB   TRP  66          1HB       TRP  66 -20.035  17.463   4.542
  537    HD1  TRP  66           HD       TRP  66 -22.350  19.211   6.998
  538    HE1  TRP  66           1HE      TRP  66 -24.785  18.589   6.443
  539    HE3  TRP  66           3HE      TRP  66 -21.484  15.546   3.540
  540    HZ2  TRP  66           2HZ      TRP  66 -26.157  16.784   4.763
  541    HZ3  TRP  66           3HZ      TRP  66 -23.413  14.420   2.507
  542    HH2  TRP  66           HH       TRP  66 -25.702  15.028   3.107
  543    H    ALA  67           H        ALA  67 -18.300  15.483   4.834
  544    HA   ALA  67           HA       ALA  67 -20.071  13.363   4.159
  545   1HB   ALA  67          1HB       ALA  67 -18.594  13.938   2.460
  546   2HB   ALA  67          2HB       ALA  67 -17.930  12.425   3.074
  547   3HB   ALA  67          3HB       ALA  67 -17.202  13.963   3.542
  548    H    LEU  68           H        LEU  68 -17.326  13.664   6.347
  549    HA   LEU  68           HA       LEU  68 -17.023  10.926   6.933
  550   1HB   LEU  68          2HB       LEU  68 -15.666  13.197   7.572
  551   2HB   LEU  68          1HB       LEU  68 -16.423  12.817   9.106
  552    HG   LEU  68           HG       LEU  68 -15.440  10.444   8.744
  553   1HD1  LEU  68          1HD1      LEU  68 -13.118  10.953   7.515
  554   2HD1  LEU  68          2HD1      LEU  68 -14.177  12.014   6.585
  555   3HD1  LEU  68          3HD1      LEU  68 -14.524  10.287   6.685
  556   1HD2  LEU  68          1HD2      LEU  68 -13.309  11.160   9.768
  557   2HD2  LEU  68          2HD2      LEU  68 -14.717  11.914  10.515
  558   3HD2  LEU  68          3HD2      LEU  68 -13.718  12.833   9.391
  559    H    LYS  69           H        LYS  69 -18.932  13.474   8.497
  560    HA   LYS  69           HA       LYS  69 -19.855  11.864  10.634
  561   1HB   LYS  69          2HB       LYS  69 -20.606  14.497   9.468
  562   2HB   LYS  69          1HB       LYS  69 -21.778  13.707  10.514
  563   1HG   LYS  69          2HG       LYS  69 -19.406  13.498  11.916
  564   2HG   LYS  69          1HG       LYS  69 -19.329  15.101  11.185
  565   1HD   LYS  69          2HD       LYS  69 -21.844  14.223  12.536
  566   2HD   LYS  69          1HD       LYS  69 -20.475  14.757  13.514
  567   1HE   LYS  69          2HE       LYS  69 -20.909  16.893  13.064
  568   2HE   LYS  69          1HE       LYS  69 -20.924  16.576  11.330
  569   1HZ   LYS  69          1HZ       LYS  69 -23.055  17.382  12.688
  570   2HZ   LYS  69          2HZ       LYS  69 -23.273  15.708  12.803
  571   3HZ   LYS  69          3HZ       LYS  69 -23.157  16.442  11.283
  572    H    VAL  70           H        VAL  70 -21.359  12.794   7.544
  573    HA   VAL  70           HA       VAL  70 -23.730  11.289   7.969
  574    HB   VAL  70           HB       VAL  70 -22.568  12.132   5.309
  575   1HG1  VAL  70          1HG1      VAL  70 -25.346  11.385   6.198
  576   2HG1  VAL  70          2HG1      VAL  70 -24.339  10.569   5.000
  577   3HG1  VAL  70          3HG1      VAL  70 -24.991  12.173   4.661
  578   1HG2  VAL  70          1HG2      VAL  70 -23.132  13.844   7.344
  579   2HG2  VAL  70          2HG2      VAL  70 -24.683  13.774   6.508
  580   3HG2  VAL  70          3HG2      VAL  70 -23.230  14.254   5.633
  581    H    ALA  71           H        ALA  71 -20.675  10.603   6.324
  582    HA   ALA  71           HA       ALA  71 -21.355   8.193   5.104
  583   1HB   ALA  71          1HB       ALA  71 -18.945   7.664   5.195
  584   2HB   ALA  71          2HB       ALA  71 -18.708   9.025   6.291
  585   3HB   ALA  71          3HB       ALA  71 -19.255   9.309   4.638
  586    H    GLU  72           H        GLU  72 -20.149   8.838   8.365
  587    HA   GLU  72           HA       GLU  72 -20.110   6.118   9.189
  588   1HB   GLU  72          2HB       GLU  72 -18.750   7.797  10.315
  589   2HB   GLU  72          1HB       GLU  72 -20.195   8.672  10.806
  590   1HG   GLU  72          2HG       GLU  72 -20.645   6.162  11.809
  591   2HG   GLU  72          1HG       GLU  72 -18.905   6.355  12.007
  592    H    ASN  73           H        ASN  73 -22.480   8.716   9.359
  593    HA   ASN  73           HA       ASN  73 -24.302   7.327  11.045
  594   1HB   ASN  73          2HB       ASN  73 -24.647   9.699   9.213
  595   2HB   ASN  73          1HB       ASN  73 -25.929   9.085  10.254
  596   1HD2  ASN  73          1HD2      ASN  73 -24.938  11.673  10.422
  597   2HD2  ASN  73          2HD2      ASN  73 -24.137  11.864  11.941
  598    H    GLU  74           H        GLU  74 -24.041   7.737   7.543
  599    HA   GLU  74           HA       GLU  74 -26.447   6.242   7.028
  600   1HB   GLU  74          2HB       GLU  74 -24.289   7.218   5.153
  601   2HB   GLU  74          1HB       GLU  74 -25.814   6.503   4.652
  602   1HG   GLU  74          2HG       GLU  74 -25.662   8.973   6.352
  603   2HG   GLU  74          1HG       GLU  74 -25.671   9.019   4.590
  604    H    LEU  75           H        LEU  75 -22.963   5.644   6.740
  605    HA   LEU  75           HA       LEU  75 -23.461   2.929   5.824
  606   1HB   LEU  75          2HB       LEU  75 -21.537   4.691   5.175
  607   2HB   LEU  75          1HB       LEU  75 -20.710   3.809   6.445
  608    HG   LEU  75           HG       LEU  75 -20.212   2.915   4.209
  609   1HD1  LEU  75          1HD1      LEU  75 -21.864   0.891   5.680
  610   2HD1  LEU  75          2HD1      LEU  75 -20.345   1.503   6.335
  611   3HD1  LEU  75          3HD1      LEU  75 -20.361   0.657   4.788
  612   1HD2  LEU  75          1HD2      LEU  75 -22.987   1.841   4.019
  613   2HD2  LEU  75          2HD2      LEU  75 -21.791   2.103   2.749
  614   3HD2  LEU  75          3HD2      LEU  75 -22.651   3.476   3.449
  615    H    GLY  76           H        GLY  76 -22.274   4.585   8.702
  616   1HA   GLY  76          2HA       GLY  76 -22.371   3.705  10.885
  617   2HA   GLY  76          1HA       GLY  76 -22.630   2.109  10.202
  618    H    ILE  77           H        ILE  77 -20.055   4.148   9.061
  619    HA   ILE  77           HA       ILE  77 -18.118   2.277  10.244
  620    HB   ILE  77           HB       ILE  77 -18.111   2.384   7.786
  621   1HG1  ILE  77          2HG1      ILE  77 -15.646   3.580   9.076
  622   2HG1  ILE  77          1HG1      ILE  77 -16.028   1.863   8.971
  623   1HG2  ILE  77          1HG2      ILE  77 -18.576   5.058   8.100
  624   2HG2  ILE  77          2HG2      ILE  77 -18.099   4.277   6.593
  625   3HG2  ILE  77          3HG2      ILE  77 -16.880   5.030   7.620
  626   1HD1  ILE  77          1HD1      ILE  77 -14.439   3.198   7.242
  627   2HD1  ILE  77          2HD1      ILE  77 -15.988   3.271   6.402
  628   3HD1  ILE  77          3HD1      ILE  77 -15.304   1.711   6.860
  629    H    THR  78           H        THR  78 -16.766   2.974  11.764
  630    HA   THR  78           HA       THR  78 -16.873   5.671  12.692
  631    HB   THR  78           HB       THR  78 -14.693   3.883  13.619
  632    HG1  THR  78           1HG      THR  78 -16.021   2.453  14.561
  633   1HG2  THR  78          1HG2      THR  78 -16.362   5.988  14.711
  634   2HG2  THR  78          2HG2      THR  78 -14.785   5.399  15.237
  635   3HG2  THR  78          3HG2      THR  78 -16.255   4.579  15.766
  636    HA   PRO  79           HA       PRO  79 -13.568   7.165  10.088
  637   1HB   PRO  79          2HB       PRO  79 -13.393   9.657  11.078
  638   2HB   PRO  79          1HB       PRO  79 -14.764   9.140  10.091
  639   1HG   PRO  79          2HG       PRO  79 -14.563   9.394  13.066
  640   2HG   PRO  79          1HG       PRO  79 -15.886   9.876  11.990
  641   1HD   PRO  79          2HD       PRO  79 -15.885   7.561  13.442
  642   2HD   PRO  79          1HD       PRO  79 -16.753   7.754  11.906
  643    H    VAL  80           H        VAL  80 -11.376   7.277  10.211
  644    HA   VAL  80           HA       VAL  80 -10.161   7.426  12.892
  645    HB   VAL  80           HB       VAL  80  -9.110   5.700  10.651
  646   1HG1  VAL  80          1HG1      VAL  80  -7.297   5.978  11.992
  647   2HG1  VAL  80          2HG1      VAL  80  -8.068   4.653  12.864
  648   3HG1  VAL  80          3HG1      VAL  80  -8.269   6.313  13.426
  649   1HG2  VAL  80          1HG2      VAL  80 -10.151   4.255  12.933
  650   2HG2  VAL  80          2HG2      VAL  80 -10.474   4.029  11.214
  651   3HG2  VAL  80          3HG2      VAL  80 -11.407   5.205  12.139
  652    H    VAL  81           H        VAL  81 -10.571   9.383  10.601
  653    HA   VAL  81           HA       VAL  81  -7.864  10.441  10.655
  654    HB   VAL  81           HB       VAL  81  -7.890   9.093   8.604
  655   1HG1  VAL  81          1HG1      VAL  81 -10.292  10.776   7.942
  656   2HG1  VAL  81          2HG1      VAL  81 -10.165   9.018   7.991
  657   3HG1  VAL  81          3HG1      VAL  81  -9.359   9.925   6.711
  658   1HG2  VAL  81          1HG2      VAL  81  -7.183  10.845   7.048
  659   2HG2  VAL  81          2HG2      VAL  81  -6.556  11.134   8.670
  660   3HG2  VAL  81          3HG2      VAL  81  -7.932  12.064   8.078
  661    H    SER  82           H        SER  82  -7.747  12.689  10.165
  662    HA   SER  82           HA       SER  82 -10.305  14.057  10.568
  663   1HB   SER  82          2HB       SER  82  -8.478  16.032  10.814
  664   2HB   SER  82          1HB       SER  82  -8.964  14.993  12.152
  665    HG   SER  82           HG       SER  82  -6.717  14.620  10.458
  666    H    ALA  83           H        ALA  83 -10.889  15.883   9.318
  667    HA   ALA  83           HA       ALA  83 -10.527  15.599   6.557
  668   1HB   ALA  83          1HB       ALA  83 -11.540  17.933   8.170
  669   2HB   ALA  83          2HB       ALA  83 -12.493  16.669   7.391
  670   3HB   ALA  83          3HB       ALA  83 -11.615  17.844   6.411
  671    H    GLN  84           H        GLN  84  -9.029  17.838   8.862
  672    HA   GLN  84           HA       GLN  84  -7.626  19.444   7.091
  673   1HB   GLN  84          2HB       GLN  84  -7.813  19.247   9.815
  674   2HB   GLN  84          1HB       GLN  84  -6.145  18.760   9.536
  675   1HG   GLN  84          2HG       GLN  84  -5.655  20.823   8.439
  676   2HG   GLN  84          1HG       GLN  84  -7.354  21.295   8.461
  677   1HE2  GLN  84          1HE2      GLN  84  -8.171  22.274  10.226
  678   2HE2  GLN  84          2HE2      GLN  84  -7.264  22.637  11.650
  679    H    ALA  85           H        ALA  85  -6.746  16.296   8.430
  680    HA   ALA  85           HA       ALA  85  -4.118  16.238   7.368
  681   1HB   ALA  85          1HB       ALA  85  -5.947  14.294   8.642
  682   2HB   ALA  85          2HB       ALA  85  -4.268  14.691   9.016
  683   3HB   ALA  85          3HB       ALA  85  -4.644  13.634   7.654
  684    H    VAL  86           H        VAL  86  -7.228  15.025   6.200
  685    HA   VAL  86           HA       VAL  86  -6.207  13.703   3.915
  686    HB   VAL  86           HB       VAL  86  -8.982  14.837   4.283
  687   1HG1  VAL  86          1HG1      VAL  86  -9.067  14.192   2.117
  688   2HG1  VAL  86          2HG1      VAL  86  -9.309  12.600   2.835
  689   3HG1  VAL  86          3HG1      VAL  86  -7.706  13.081   2.281
  690   1HG2  VAL  86          1HG2      VAL  86  -8.304  11.985   4.825
  691   2HG2  VAL  86          2HG2      VAL  86  -9.610  12.975   5.472
  692   3HG2  VAL  86          3HG2      VAL  86  -7.964  13.195   6.062
  693    H    VAL  87           H        VAL  87  -7.694  16.909   4.343
  694    HA   VAL  87           HA       VAL  87  -7.577  17.701   1.657
  695    HB   VAL  87           HB       VAL  87  -8.916  18.881   3.349
  696   1HG1  VAL  87          1HG1      VAL  87  -6.273  19.939   4.345
  697   2HG1  VAL  87          2HG1      VAL  87  -7.312  18.794   5.195
  698   3HG1  VAL  87          3HG1      VAL  87  -7.870  20.442   4.900
  699   1HG2  VAL  87          1HG2      VAL  87  -7.717  19.944   1.182
  700   2HG2  VAL  87          2HG2      VAL  87  -7.128  21.037   2.435
  701   3HG2  VAL  87          3HG2      VAL  87  -8.863  20.819   2.196
  702    H    ALA  88           H        ALA  88  -5.169  17.762   4.198
  703    HA   ALA  88           HA       ALA  88  -3.336  19.393   2.668
  704   1HB   ALA  88          1HB       ALA  88  -3.397  18.233   5.385
  705   2HB   ALA  88          2HB       ALA  88  -2.923  19.844   4.846
  706   3HB   ALA  88          3HB       ALA  88  -1.806  18.491   4.669
  707    H    GLY  89           H        GLY  89  -4.143  16.093   2.789
  708   1HA   GLY  89          2HA       GLY  89  -3.190  14.217   1.877
  709   2HA   GLY  89          1HA       GLY  89  -2.383  15.327   0.780
  710    H    SER  90           H        SER  90  -1.816  15.597   4.190
  711    HA   SER  90           HA       SER  90   0.906  14.570   3.764
  712   1HB   SER  90          2HB       SER  90   1.339  15.914   5.940
  713   2HB   SER  90          1HB       SER  90   1.117  16.807   4.434
  714    HG   SER  90           HG       SER  90  -0.148  17.729   6.047
  715    H    ASP  91           H        ASP  91  -1.083  12.697   4.192
  716    HA   ASP  91           HA       ASP  91  -0.100  11.427   6.580
  717   1HB   ASP  91          2HB       ASP  91  -2.261  13.000   7.007
  718   2HB   ASP  91          1HB       ASP  91  -3.059  11.495   6.561
  719    HA   PRO  92           HA       PRO  92  -1.198   8.698   2.927
  720   1HB   PRO  92          2HB       PRO  92   1.129   7.248   3.122
  721   2HB   PRO  92          1HB       PRO  92   0.931   8.671   2.097
  722   1HG   PRO  92          2HG       PRO  92   2.160   8.449   4.814
  723   2HG   PRO  92          1HG       PRO  92   2.709   9.381   3.409
  724   1HD   PRO  92          2HD       PRO  92   1.422  10.547   5.458
  725   2HD   PRO  92          1HD       PRO  92   1.178  11.082   3.782
  726    H    LEU  93           H        LEU  93   0.411   7.854   5.985
  727    HA   LEU  93           HA       LEU  93  -0.403   5.182   6.107
  728   1HB   LEU  93          2HB       LEU  93   1.239   6.621   7.593
  729   2HB   LEU  93          1HB       LEU  93  -0.182   6.796   8.606
  730    HG   LEU  93           HG       LEU  93  -0.310   4.219   8.526
  731   1HD1  LEU  93          1HD1      LEU  93   1.915   3.155   8.259
  732   2HD1  LEU  93          2HD1      LEU  93   2.525   4.680   7.617
  733   3HD1  LEU  93          3HD1      LEU  93   1.257   3.805   6.758
  734   1HD2  LEU  93          1HD2      LEU  93   1.348   4.053  10.375
  735   2HD2  LEU  93          2HD2      LEU  93   0.217   5.394  10.548
  736   3HD2  LEU  93          3HD2      LEU  93   1.865   5.696  10.000
  737    H    GLY  94           H        GLY  94  -2.036   8.143   7.077
  738   1HA   GLY  94          2HA       GLY  94  -4.186   6.822   8.427
  739   2HA   GLY  94          1HA       GLY  94  -4.138   8.513   7.953
  740    H    LEU  95           H        LEU  95  -3.794   8.228   5.194
  741    HA   LEU  95           HA       LEU  95  -6.447   7.876   4.347
  742   1HB   LEU  95          2HB       LEU  95  -3.859   8.467   3.102
  743   2HB   LEU  95          1HB       LEU  95  -4.978   7.627   2.043
  744    HG   LEU  95           HG       LEU  95  -6.074   9.955   3.507
  745   1HD1  LEU  95          1HD1      LEU  95  -3.964  10.907   2.954
  746   2HD1  LEU  95          2HD1      LEU  95  -5.135  11.497   1.773
  747   3HD1  LEU  95          3HD1      LEU  95  -4.008  10.213   1.333
  748   1HD2  LEU  95          1HD2      LEU  95  -6.261   9.426   0.575
  749   2HD2  LEU  95          2HD2      LEU  95  -7.446  10.144   1.667
  750   3HD2  LEU  95          3HD2      LEU  95  -7.150   8.405   1.706
  751    H    ILE  96           H        ILE  96  -3.616   5.759   4.101
  752    HA   ILE  96           HA       ILE  96  -4.903   3.724   2.606
  753    HB   ILE  96           HB       ILE  96  -2.529   3.424   4.448
  754   1HG1  ILE  96          2HG1      ILE  96  -2.347   3.827   1.479
  755   2HG1  ILE  96          1HG1      ILE  96  -2.481   5.218   2.549
  756   1HG2  ILE  96          1HG2      ILE  96  -3.715   1.723   2.289
  757   2HG2  ILE  96          2HG2      ILE  96  -3.205   1.269   3.915
  758   3HG2  ILE  96          3HG2      ILE  96  -1.997   1.619   2.678
  759   1HD1  ILE  96          1HD1      ILE  96  -0.205   3.514   1.981
  760   2HD1  ILE  96          2HD1      ILE  96  -0.486   3.727   3.709
  761   3HD1  ILE  96          3HD1      ILE  96  -0.267   5.135   2.673
  762    H    ALA  97           H        ALA  97  -4.299   4.148   6.077
  763    HA   ALA  97           HA       ALA  97  -5.339   1.704   6.951
  764   1HB   ALA  97          1HB       ALA  97  -5.160   4.379   8.319
  765   2HB   ALA  97          2HB       ALA  97  -4.055   3.012   8.464
  766   3HB   ALA  97          3HB       ALA  97  -5.685   2.905   9.132
  767    H    TYR  98           H        TYR  98  -6.927   4.843   6.485
  768    HA   TYR  98           HA       TYR  98  -9.479   3.979   7.385
  769   1HB   TYR  98          2HB       TYR  98  -8.617   6.382   7.181
  770   2HB   TYR  98          1HB       TYR  98  -8.995   6.255   5.466
  771    HD1  TYR  98           1HD      TYR  98 -10.792   7.712   5.163
  772    HD2  TYR  98           2HD      TYR  98 -10.895   4.936   8.386
  773    HE1  TYR  98           1HE      TYR  98 -13.122   8.346   5.627
  774    HE2  TYR  98           2HE      TYR  98 -13.226   5.562   8.855
  775    HH   TYR  98           HH       TYR  98 -15.086   7.482   6.704
  776    H    LEU  99           H        LEU  99  -7.930   4.146   4.222
  777    HA   LEU  99           HA       LEU  99 -10.151   3.620   2.616
  778   1HB   LEU  99          2HB       LEU  99  -7.300   3.704   2.316
  779   2HB   LEU  99          1HB       LEU  99  -7.926   2.302   1.469
  780    HG   LEU  99           HG       LEU  99  -9.628   4.422   0.764
  781   1HD1  LEU  99          1HD1      LEU  99  -6.734   5.240   0.797
  782   2HD1  LEU  99          2HD1      LEU  99  -8.113   6.084   1.503
  783   3HD1  LEU  99          3HD1      LEU  99  -7.942   5.989  -0.250
  784   1HD2  LEU  99          1HD2      LEU  99  -8.906   3.958  -1.431
  785   2HD2  LEU  99          2HD2      LEU  99  -8.787   2.431  -0.558
  786   3HD2  LEU  99          3HD2      LEU  99  -7.335   3.379  -0.876
  787    H    SER 100           H        SER 100  -8.089   1.460   4.463
  788    HA   SER 100           HA       SER 100  -8.897  -0.979   3.350
  789   1HB   SER 100          2HB       SER 100  -7.901  -0.255   6.108
  790   2HB   SER 100          1HB       SER 100  -8.240  -1.919   5.629
  791    HG   SER 100           HG       SER 100  -6.135  -0.290   4.965
  792    H    HIS 101           H        HIS 101 -10.247   0.893   6.040
  793    HA   HIS 101           HA       HIS 101 -12.238  -0.966   6.766
  794   1HB   HIS 101          2HB       HIS 101 -11.453   1.697   7.520
  795   2HB   HIS 101          1HB       HIS 101 -13.201   1.631   7.337
  796    HD1  HIS 101           1HD      HIS 101 -14.496   0.597   9.210
  797    HD2  HIS 101           2HD      HIS 101 -10.430  -0.231   9.443
  798    HE1  HIS 101           1HE      HIS 101 -14.167  -0.542  11.428
  799    HE2  HIS 101           2HE      HIS 101 -11.713  -1.107  11.511
  800    H    PHE 102           H        PHE 102 -12.296   1.837   4.591
  801    HA   PHE 102           HA       PHE 102 -15.032   1.675   3.930
  802   1HB   PHE 102          2HB       PHE 102 -12.686   3.145   2.996
  803   2HB   PHE 102          1HB       PHE 102 -13.817   2.771   1.699
  804    HD1  PHE 102           1HD      PHE 102 -12.934   5.278   3.774
  805    HD2  PHE 102           2HD      PHE 102 -16.407   3.066   2.704
  806    HE1  PHE 102           1HE      PHE 102 -14.347   7.168   4.470
  807    HE2  PHE 102           2HE      PHE 102 -17.828   4.952   3.396
  808    HZ   PHE 102           HZ       PHE 102 -16.797   7.006   4.281
  809    H    HIS 103           H        HIS 103 -12.146   0.242   2.485
  810    HA   HIS 103           HA       HIS 103 -13.422  -0.866   0.220
  811   1HB   HIS 103          2HB       HIS 103 -10.968  -0.559   0.425
  812   2HB   HIS 103          1HB       HIS 103 -10.929  -1.843   1.627
  813    HD1  HIS 103           1HD      HIS 103 -12.146  -4.184   0.561
  814    HD2  HIS 103           2HD      HIS 103 -10.303  -1.491  -2.011
  815    HE1  HIS 103           1HE      HIS 103 -11.657  -5.484  -1.534
  816    HE2  HIS 103           2HE      HIS 103 -10.453  -3.859  -3.038
  817    H    SER 104           H        SER 104 -12.628  -2.218   3.405
  818    HA   SER 104           HA       SER 104 -13.539  -4.822   2.946
  819   1HB   SER 104          2HB       SER 104 -12.185  -4.016   4.924
  820   2HB   SER 104          1HB       SER 104 -13.683  -3.369   5.594
  821    HG   SER 104           HG       SER 104 -14.489  -5.613   5.291
  822    H    ALA 105           H        ALA 105 -15.246  -1.966   4.169
  823    HA   ALA 105           HA       ALA 105 -17.718  -3.321   4.590
  824   1HB   ALA 105          1HB       ALA 105 -16.894  -0.445   4.507
  825   2HB   ALA 105          2HB       ALA 105 -17.494  -1.396   5.865
  826   3HB   ALA 105          3HB       ALA 105 -18.598  -0.890   4.586
  827    H    PHE 106           H        PHE 106 -16.450  -1.264   1.994
  828    HA   PHE 106           HA       PHE 106 -18.819  -1.313   0.430
  829   1HB   PHE 106          2HB       PHE 106 -15.969  -0.532  -0.061
  830   2HB   PHE 106          1HB       PHE 106 -17.073  -0.675  -1.425
  831    HD1  PHE 106           1HD      PHE 106 -18.013   0.500   1.949
  832    HD2  PHE 106           2HD      PHE 106 -17.128   1.591  -2.068
  833    HE1  PHE 106           1HE      PHE 106 -18.846   2.774   2.388
  834    HE2  PHE 106           2HE      PHE 106 -17.959   3.867  -1.637
  835    HZ   PHE 106           HZ       PHE 106 -18.819   4.462   0.593
  836    H    LYS 107           H        LYS 107 -16.099  -3.457   0.756
  837    HA   LYS 107           HA       LYS 107 -16.223  -4.840  -1.659
  838   1HB   LYS 107          2HB       LYS 107 -14.415  -5.120  -0.016
  839   2HB   LYS 107          1HB       LYS 107 -15.532  -5.924   1.078
  840   1HG   LYS 107          2HG       LYS 107 -15.600  -7.227  -1.466
  841   2HG   LYS 107          1HG       LYS 107 -13.928  -7.075  -0.922
  842   1HD   LYS 107          2HD       LYS 107 -16.098  -8.089   0.892
  843   2HD   LYS 107          1HD       LYS 107 -15.227  -9.162  -0.204
  844   1HE   LYS 107          2HE       LYS 107 -13.853  -7.363   1.779
  845   2HE   LYS 107          1HE       LYS 107 -14.331  -9.017   2.155
  846   1HZ   LYS 107          1HZ       LYS 107 -12.890  -9.845   0.476
  847   2HZ   LYS 107          2HZ       LYS 107 -11.990  -8.755   1.405
  848   3HZ   LYS 107          3HZ       LYS 107 -12.565  -8.295  -0.117
  849    H    SER 108           H        SER 108 -18.083  -5.265   1.310
  850    HA   SER 108           HA       SER 108 -19.376  -7.658   0.620
  851   1HB   SER 108          2HB       SER 108 -19.315  -6.345   2.880
  852   2HB   SER 108          1HB       SER 108 -20.753  -5.546   2.248
  853    HG   SER 108           HG       SER 108 -21.046  -7.540   3.549
  854    H    MET 109           H        MET 109 -19.996  -4.338  -0.261
  855    HA   MET 109           HA       MET 109 -22.565  -4.979  -1.454
  856   1HB   MET 109          2HB       MET 109 -21.548  -2.692  -0.334
  857   2HB   MET 109          1HB       MET 109 -21.387  -2.354  -2.052
  858   1HG   MET 109          2HG       MET 109 -23.472  -1.528  -1.647
  859   2HG   MET 109          1HG       MET 109 -23.865  -3.174  -2.142
  860   1HE   MET 109          1HE       MET 109 -25.648  -1.174   1.142
  861   2HE   MET 109          2HE       MET 109 -26.372  -1.896  -0.296
  862   3HE   MET 109          3HE       MET 109 -25.080  -0.708  -0.462
  Start of MODEL    5
    1   1H    MET  -8          1HT       MET  -8  11.415 -24.806 -13.251
    2   2H    MET  -8          2HT       MET  -8   9.705 -24.911 -13.138
    3   3H    MET  -8          3HT       MET  -8  10.556 -23.733 -12.227
    4    HA   MET  -8           HA       MET  -8  11.121 -22.525 -14.099
    5   1HB   MET  -8          2HB       MET  -8  11.281 -24.924 -15.327
    6   2HB   MET  -8          1HB       MET  -8   9.754 -24.357 -15.986
    7   1HG   MET  -8          2HG       MET  -8  12.262 -22.710 -16.059
    8   2HG   MET  -8          1HG       MET  -8  11.829 -23.852 -17.331
    9   1HE   MET  -8          1HE       MET  -8  11.777 -22.699 -19.120
   10   2HE   MET  -8          2HE       MET  -8  11.741 -20.939 -19.014
   11   3HE   MET  -8          3HE       MET  -8  10.371 -21.808 -19.705
   12    H    GLY  -7           H        GLY  -7   9.713 -20.948 -13.627
   13   1HA   GLY  -7          2HA       GLY  -7   7.352 -20.514 -14.921
   14   2HA   GLY  -7          1HA       GLY  -7   6.877 -21.413 -13.489
   15    H    HIS  -6           H        HIS  -6   8.080 -20.491 -11.428
   16    HA   HIS  -6           HA       HIS  -6   7.080 -17.846 -11.091
   17   1HB   HIS  -6          2HB       HIS  -6   8.119 -19.963  -9.408
   18   2HB   HIS  -6          1HB       HIS  -6   8.769 -18.402  -8.922
   19    HD1  HIS  -6           1HD      HIS  -6   7.384 -17.293  -7.217
   20    HD2  HIS  -6           2HD      HIS  -6   5.097 -19.679  -9.736
   21    HE1  HIS  -6           1HE      HIS  -6   5.026 -17.101  -6.364
   22    HE2  HIS  -6           2HE      HIS  -6   3.677 -18.633  -7.843
   23    H    HIS  -5           H        HIS  -5   8.244 -15.948 -10.575
   24    HA   HIS  -5           HA       HIS  -5  11.006 -15.932 -11.606
   25   1HB   HIS  -5          2HB       HIS  -5   8.861 -14.554 -12.620
   26   2HB   HIS  -5          1HB       HIS  -5   9.591 -13.356 -11.557
   27    HD1  HIS  -5           1HD      HIS  -5  12.510 -14.843 -12.330
   28    HD2  HIS  -5           2HD      HIS  -5   9.786 -12.847 -14.751
   29    HE1  HIS  -5           1HE      HIS  -5  13.821 -14.096 -14.341
   30    HE2  HIS  -5           2HE      HIS  -5  12.134 -12.964 -15.831
   31    H    HIS  -4           H        HIS  -4  11.991 -13.617 -10.821
   32    HA   HIS  -4           HA       HIS  -4  11.431 -13.213  -7.990
   33   1HB   HIS  -4          2HB       HIS  -4  13.817 -14.572  -9.048
   34   2HB   HIS  -4          1HB       HIS  -4  14.163 -13.273  -7.912
   35    HD1  HIS  -4           1HD      HIS  -4  12.047 -16.424  -8.094
   36    HD2  HIS  -4           2HD      HIS  -4  13.954 -14.004  -5.306
   37    HE1  HIS  -4           1HE      HIS  -4  11.790 -17.607  -5.891
   38    HE2  HIS  -4           2HE      HIS  -4  12.867 -16.077  -4.204
   39    H    HIS  -3           H        HIS  -3  12.671 -11.344  -7.104
   40    HA   HIS  -3           HA       HIS  -3  13.604  -9.457  -9.130
   41   1HB   HIS  -3          2HB       HIS  -3  11.019  -9.301  -8.236
   42   2HB   HIS  -3          1HB       HIS  -3  11.846  -8.217  -7.123
   43    HD1  HIS  -3           1HD      HIS  -3   9.827  -7.110  -9.148
   44    HD2  HIS  -3           2HD      HIS  -3  13.915  -7.353  -9.842
   45    HE1  HIS  -3           1HE      HIS  -3  10.311  -5.392 -10.919
   46    HE2  HIS  -3           2HE      HIS  -3  12.804  -5.501 -11.263
   47    H    HIS  -2           H        HIS  -2  13.963  -7.233  -7.636
   48    HA   HIS  -2           HA       HIS  -2  15.955  -8.130  -5.682
   49   1HB   HIS  -2          2HB       HIS  -2  15.656  -5.653  -7.352
   50   2HB   HIS  -2          1HB       HIS  -2  16.664  -5.631  -5.909
   51    HD1  HIS  -2           1HD      HIS  -2  19.020  -5.828  -6.617
   52    HD2  HIS  -2           2HD      HIS  -2  16.528  -8.276  -8.867
   53    HE1  HIS  -2           1HE      HIS  -2  20.540  -7.086  -8.173
   54    HE2  HIS  -2           2HE      HIS  -2  19.020  -8.627  -9.462
   55    H    HIS  -1           H        HIS  -1  13.654  -5.424  -6.056
   56    HA   HIS  -1           HA       HIS  -1  12.782  -5.779  -3.311
   57   1HB   HIS  -1          2HB       HIS  -1  14.768  -4.284  -3.158
   58   2HB   HIS  -1          1HB       HIS  -1  13.950  -3.139  -4.215
   59    HD1  HIS  -1           1HD      HIS  -1  12.906  -4.955  -1.025
   60    HD2  HIS  -1           2HD      HIS  -1  12.939  -1.154  -2.704
   61    HE1  HIS  -1           1HE      HIS  -1  11.850  -3.452   0.692
   62    HE2  HIS  -1           2HE      HIS  -1  11.784  -1.178  -0.389
   63    H    MET   0           H        MET   0  10.670  -5.998  -3.736
   64    HA   MET   0           HA       MET   0   9.215  -3.719  -4.736
   65   1HB   MET   0          2HB       MET   0   9.929  -5.131  -6.761
   66   2HB   MET   0          1HB       MET   0   8.783  -6.329  -6.172
   67   1HG   MET   0          2HG       MET   0   7.738  -4.997  -7.866
   68   2HG   MET   0          1HG       MET   0   6.995  -4.641  -6.308
   69   1HE   MET   0          1HE       MET   0   6.544  -3.201  -8.750
   70   2HE   MET   0          2HE       MET   0   7.269  -1.605  -8.954
   71   3HE   MET   0          3HE       MET   0   6.106  -1.885  -7.659
   72    H    GLY   1           H        GLY   1   6.903  -3.918  -4.419
   73   1HA   GLY   1          2HA       GLY   1   5.244  -5.751  -3.604
   74   2HA   GLY   1          1HA       GLY   1   6.308  -5.754  -2.206
   75    H    SER   2           H        SER   2   6.785  -3.283  -1.537
   76    HA   SER   2           HA       SER   2   4.376  -2.350  -0.425
   77   1HB   SER   2          2HB       SER   2   7.093  -1.831  -0.065
   78   2HB   SER   2          1HB       SER   2   6.422  -0.287  -0.587
   79    HG   SER   2           HG       SER   2   6.070  -1.652   1.765
   80    H    ALA   3           H        ALA   3   6.098  -1.500  -3.351
   81    HA   ALA   3           HA       ALA   3   4.538   0.851  -3.884
   82   1HB   ALA   3          1HB       ALA   3   6.051  -0.584  -6.017
   83   2HB   ALA   3          2HB       ALA   3   6.931   0.211  -4.713
   84   3HB   ALA   3          3HB       ALA   3   5.853   1.148  -5.747
   85    H    GLY   4           H        GLY   4   4.479  -2.527  -4.904
   86   1HA   GLY   4          2HA       GLY   4   2.437  -2.165  -6.872
   87   2HA   GLY   4          1HA       GLY   4   2.986  -3.698  -6.212
   88    H    THR   5           H        THR   5   2.438  -2.785  -3.440
   89    HA   THR   5           HA       THR   5  -0.221  -3.750  -3.247
   90    HB   THR   5           HB       THR   5   0.081  -2.900  -0.802
   91    HG1  THR   5           1HG      THR   5   2.234  -2.523  -0.261
   92   1HG2  THR   5          1HG2      THR   5   2.052  -4.930  -1.812
   93   2HG2  THR   5          2HG2      THR   5   0.347  -5.259  -1.508
   94   3HG2  THR   5          3HG2      THR   5   1.403  -4.784  -0.179
   95    H    GLN   6           H        GLN   6   1.182  -0.542  -2.582
   96    HA   GLN   6           HA       GLN   6  -1.266   0.740  -2.046
   97   1HB   GLN   6          2HB       GLN   6   1.505   1.618  -2.676
   98   2HB   GLN   6          1HB       GLN   6   0.220   2.806  -2.858
   99   1HG   GLN   6          2HG       GLN   6   1.181   3.008  -0.675
  100   2HG   GLN   6          1HG       GLN   6  -0.462   2.382  -0.528
  101   1HE2  GLN   6          1HE2      GLN   6   2.734   1.966   0.355
  102   2HE2  GLN   6          2HE2      GLN   6   2.624   0.367   1.001
  103    H    GLU   7           H        GLU   7   0.456   0.098  -5.026
  104    HA   GLU   7           HA       GLU   7  -0.911   1.891  -6.700
  105   1HB   GLU   7          2HB       GLU   7   1.104  -0.002  -7.000
  106   2HB   GLU   7          1HB       GLU   7  -0.195  -0.602  -8.022
  107   1HG   GLU   7          2HG       GLU   7   1.170   0.751  -9.384
  108   2HG   GLU   7          1HG       GLU   7  -0.293   1.680  -9.061
  109    H    GLU   8           H        GLU   8  -1.564  -1.519  -5.928
  110    HA   GLU   8           HA       GLU   8  -3.821  -1.768  -7.599
  111   1HB   GLU   8          2HB       GLU   8  -4.304  -3.807  -6.383
  112   2HB   GLU   8          1HB       GLU   8  -2.577  -3.696  -6.691
  113   1HG   GLU   8          2HG       GLU   8  -2.059  -3.572  -4.510
  114   2HG   GLU   8          1HG       GLU   8  -3.470  -2.593  -4.118
  115    H    LEU   9           H        LEU   9  -3.407  -0.556  -4.349
  116    HA   LEU   9           HA       LEU   9  -6.158  -0.588  -3.627
  117   1HB   LEU   9          2HB       LEU   9  -4.362  -0.497  -1.964
  118   2HB   LEU   9          1HB       LEU   9  -3.882   1.081  -2.556
  119    HG   LEU   9           HG       LEU   9  -6.117   1.959  -1.870
  120   1HD1  LEU   9          1HD1      LEU   9  -7.723   0.688  -0.939
  121   2HD1  LEU   9          2HD1      LEU   9  -6.566  -0.323  -0.070
  122   3HD1  LEU   9          3HD1      LEU   9  -6.897  -0.627  -1.776
  123   1HD2  LEU   9          1HD2      LEU   9  -4.762   0.709   0.490
  124   2HD2  LEU   9          2HD2      LEU   9  -5.484   2.310   0.339
  125   3HD2  LEU   9          3HD2      LEU   9  -3.957   1.953  -0.467
  126    H    LEU  10           H        LEU  10  -3.996   1.971  -4.820
  127    HA   LEU  10           HA       LEU  10  -5.927   4.017  -4.860
  128   1HB   LEU  10          2HB       LEU  10  -3.218   3.812  -5.389
  129   2HB   LEU  10          1HB       LEU  10  -3.900   4.236  -6.947
  130    HG   LEU  10           HG       LEU  10  -4.209   5.797  -4.381
  131   1HD1  LEU  10          1HD1      LEU  10  -3.022   7.057  -6.742
  132   2HD1  LEU  10          2HD1      LEU  10  -2.066   5.740  -6.063
  133   3HD1  LEU  10          3HD1      LEU  10  -2.523   7.110  -5.052
  134   1HD2  LEU  10          1HD2      LEU  10  -6.175   5.751  -6.045
  135   2HD2  LEU  10          2HD2      LEU  10  -5.116   6.695  -7.092
  136   3HD2  LEU  10          3HD2      LEU  10  -5.567   7.316  -5.503
  137    H    ARG  11           H        ARG  11  -5.049   1.546  -7.188
  138    HA   ARG  11           HA       ARG  11  -6.444   2.605  -9.405
  139   1HB   ARG  11          2HB       ARG  11  -5.286  -0.033  -8.672
  140   2HB   ARG  11          1HB       ARG  11  -6.484  -0.014  -9.960
  141   1HG   ARG  11          2HG       ARG  11  -4.198   1.902 -10.042
  142   2HG   ARG  11          1HG       ARG  11  -3.957   0.219 -10.518
  143   1HD   ARG  11          2HD       ARG  11  -6.048   0.593 -11.996
  144   2HD   ARG  11          1HD       ARG  11  -5.707   2.307 -11.762
  145    HE   ARG  11           HE       ARG  11  -3.329   1.316 -12.575
  146   1HH1  ARG  11          1HH1      ARG  11  -6.565   1.088 -13.862
  147   2HH1  ARG  11          2HH1      ARG  11  -6.037   0.964 -15.506
  148   1HH2  ARG  11          1HH2      ARG  11  -2.633   1.152 -14.738
  149   2HH2  ARG  11          2HH2      ARG  11  -3.804   1.000 -16.004
  150    H    TRP  12           H        TRP  12  -7.390   0.384  -6.824
  151    HA   TRP  12           HA       TRP  12  -9.946  -0.235  -7.875
  152   1HB   TRP  12          2HB       TRP  12  -8.842  -1.637  -6.187
  153   2HB   TRP  12          1HB       TRP  12  -8.969  -0.331  -5.013
  154    HD1  TRP  12           HD       TRP  12 -10.982  -3.113  -6.622
  155    HE1  TRP  12           1HE      TRP  12 -13.262  -3.294  -5.441
  156    HE3  TRP  12           3HE      TRP  12 -10.758   1.123  -3.766
  157    HZ2  TRP  12           2HZ      TRP  12 -14.767  -1.835  -3.551
  158    HZ3  TRP  12           3HZ      TRP  12 -12.660   1.658  -2.300
  159    HH2  TRP  12           HH       TRP  12 -14.623   0.209  -2.195
  160    H    CYS  13           H        CYS  13  -8.839   2.147  -5.492
  161    HA   CYS  13           HA       CYS  13 -11.347   3.161  -4.778
  162   1HB   CYS  13          2HB       CYS  13  -9.215   3.635  -3.579
  163   2HB   CYS  13          1HB       CYS  13  -8.739   4.688  -4.906
  164    HG   CYS  13           HG       CYS  13 -10.899   5.334  -2.797
  165    H    GLN  14           H        GLN  14  -9.100   4.185  -7.329
  166    HA   GLN  14           HA       GLN  14 -10.596   6.382  -8.238
  167   1HB   GLN  14          2HB       GLN  14  -8.220   5.944  -8.819
  168   2HB   GLN  14          1HB       GLN  14  -8.743   4.618  -9.849
  169   1HG   GLN  14          2HG       GLN  14 -10.148   6.351 -11.079
  170   2HG   GLN  14          1HG       GLN  14  -9.199   7.559 -10.213
  171   1HE2  GLN  14          1HE2      GLN  14  -9.000   4.849 -12.443
  172   2HE2  GLN  14          2HE2      GLN  14  -7.524   5.337 -13.196
  173    H    GLU  15           H        GLU  15 -10.716   2.958  -9.061
  174    HA   GLU  15           HA       GLU  15 -12.449   3.206 -11.281
  175   1HB   GLU  15          2HB       GLU  15 -11.102   1.126  -9.980
  176   2HB   GLU  15          1HB       GLU  15 -12.806   0.718  -9.836
  177   1HG   GLU  15          2HG       GLU  15 -12.567   1.494 -12.465
  178   2HG   GLU  15          1HG       GLU  15 -11.055   0.644 -12.150
  179    H    GLN  16           H        GLN  16 -13.045   2.548  -7.848
  180    HA   GLN  16           HA       GLN  16 -15.853   2.290  -8.084
  181   1HB   GLN  16          2HB       GLN  16 -13.910   2.607  -5.863
  182   2HB   GLN  16          1HB       GLN  16 -15.578   3.039  -5.517
  183   1HG   GLN  16          2HG       GLN  16 -14.811   0.403  -6.729
  184   2HG   GLN  16          1HG       GLN  16 -14.880   0.671  -4.987
  185   1HE2  GLN  16          1HE2      GLN  16 -16.579  -0.351  -7.628
  186   2HE2  GLN  16          2HE2      GLN  16 -18.184  -0.210  -7.003
  187    H    THR  17           H        THR  17 -13.728   5.024  -7.830
  188    HA   THR  17           HA       THR  17 -15.879   6.863  -7.185
  189    HB   THR  17           HB       THR  17 -13.916   8.548  -7.590
  190    HG1  THR  17           1HG      THR  17 -12.385   7.300  -8.488
  191   1HG2  THR  17          1HG2      THR  17 -13.180   6.878  -5.300
  192   2HG2  THR  17          2HG2      THR  17 -14.865   7.395  -5.342
  193   3HG2  THR  17          3HG2      THR  17 -13.573   8.594  -5.382
  194    H    ALA  18           H        ALA  18 -15.236   5.301  -9.905
  195    HA   ALA  18           HA       ALA  18 -15.154   7.491 -11.780
  196   1HB   ALA  18          1HB       ALA  18 -14.045   5.415 -12.346
  197   2HB   ALA  18          2HB       ALA  18 -15.349   5.729 -13.490
  198   3HB   ALA  18          3HB       ALA  18 -15.567   4.535 -12.212
  199    H    GLY  19           H        GLY  19 -16.811   8.196 -13.112
  200   1HA   GLY  19          2HA       GLY  19 -19.124   7.586 -13.943
  201   2HA   GLY  19          1HA       GLY  19 -19.515   7.393 -12.240
  202    H    TYR  20           H        TYR  20 -17.685   9.761 -11.676
  203    HA   TYR  20           HA       TYR  20 -19.745  11.777 -12.078
  204   1HB   TYR  20          2HB       TYR  20 -17.183  12.074 -10.512
  205   2HB   TYR  20          1HB       TYR  20 -18.646  13.046 -10.380
  206    HD1  TYR  20           1HD      TYR  20 -20.352  12.447  -8.877
  207    HD2  TYR  20           2HD      TYR  20 -17.279   9.645  -9.779
  208    HE1  TYR  20           1HE      TYR  20 -21.169  10.980  -7.080
  209    HE2  TYR  20           2HE      TYR  20 -18.088   8.172  -7.985
  210    HH   TYR  20           HH       TYR  20 -19.565   8.755  -5.650
  211    HA   PRO  21           HA       PRO  21 -17.549  13.583 -15.511
  212   1HB   PRO  21          2HB       PRO  21 -19.054  16.043 -14.920
  213   2HB   PRO  21          1HB       PRO  21 -19.085  15.028 -16.364
  214   1HG   PRO  21          2HG       PRO  21 -21.146  15.107 -14.644
  215   2HG   PRO  21          1HG       PRO  21 -20.696  13.622 -15.504
  216   1HD   PRO  21          2HD       PRO  21 -20.122  14.424 -12.673
  217   2HD   PRO  21          1HD       PRO  21 -20.613  12.844 -13.322
  218    H    GLY  22           H        GLY  22 -15.793  13.520 -13.601
  219   1HA   GLY  22          2HA       GLY  22 -14.018  15.479 -13.827
  220   2HA   GLY  22          1HA       GLY  22 -15.128  16.201 -12.672
  221    H    VAL  23           H        VAL  23 -14.139  12.815 -12.946
  222    HA   VAL  23           HA       VAL  23 -13.401  12.844 -10.134
  223    HB   VAL  23           HB       VAL  23 -14.810  11.009 -10.999
  224   1HG1  VAL  23          1HG1      VAL  23 -12.365  10.064 -12.484
  225   2HG1  VAL  23          2HG1      VAL  23 -13.704  10.920 -13.250
  226   3HG1  VAL  23          3HG1      VAL  23 -13.978   9.352 -12.491
  227   1HG2  VAL  23          1HG2      VAL  23 -13.576  10.562  -9.016
  228   2HG2  VAL  23          2HG2      VAL  23 -12.094  10.271  -9.927
  229   3HG2  VAL  23          3HG2      VAL  23 -13.440   9.136 -10.044
  230    H    HIS  24           H        HIS  24 -11.399  13.140  -9.486
  231    HA   HIS  24           HA       HIS  24  -9.188  12.287 -11.227
  232   1HB   HIS  24          2HB       HIS  24  -9.822  14.931 -10.743
  233   2HB   HIS  24          1HB       HIS  24  -8.568  14.610  -9.552
  234    HD1  HIS  24           1HD      HIS  24  -6.187  14.387 -10.391
  235    HD2  HIS  24           2HD      HIS  24  -8.978  14.651 -13.457
  236    HE1  HIS  24           1HE      HIS  24  -4.846  14.696 -12.495
  237    HE2  HIS  24           2HE      HIS  24  -6.552  14.760 -14.347
  238    H    VAL  25           H        VAL  25  -9.249  10.378  -9.864
  239    HA   VAL  25           HA       VAL  25  -8.084  10.830  -7.195
  240    HB   VAL  25           HB       VAL  25  -9.545   8.360  -8.134
  241   1HG1  VAL  25          1HG1      VAL  25  -8.566   9.246  -5.425
  242   2HG1  VAL  25          2HG1      VAL  25  -7.997   7.869  -6.369
  243   3HG1  VAL  25          3HG1      VAL  25  -9.627   7.865  -5.699
  244   1HG2  VAL  25          1HG2      VAL  25 -10.798  10.042  -6.083
  245   2HG2  VAL  25          2HG2      VAL  25 -11.514   9.208  -7.462
  246   3HG2  VAL  25          3HG2      VAL  25 -10.728  10.770  -7.689
  247    H    SER  26           H        SER  26  -5.938  10.932  -7.934
  248    HA   SER  26           HA       SER  26  -4.745   8.327  -8.393
  249   1HB   SER  26          2HB       SER  26  -5.289   9.657 -10.635
  250   2HB   SER  26          1HB       SER  26  -3.782  10.475 -10.225
  251    HG   SER  26           HG       SER  26  -2.845   8.332 -10.068
  252    H    ASP  27           H        ASP  27  -4.819  10.549  -6.358
  253    HA   ASP  27           HA       ASP  27  -1.920  10.703  -5.971
  254   1HB   ASP  27          2HB       ASP  27  -3.715  13.069  -5.427
  255   2HB   ASP  27          1HB       ASP  27  -1.956  13.019  -5.401
  256    H    LEU  28           H        LEU  28  -1.258  10.785  -3.796
  257    HA   LEU  28           HA       LEU  28  -3.308   9.849  -1.930
  258   1HB   LEU  28          2HB       LEU  28  -0.296   9.789  -1.720
  259   2HB   LEU  28          1HB       LEU  28  -1.406   9.113  -0.543
  260    HG   LEU  28           HG       LEU  28  -1.508   8.169  -3.382
  261   1HD1  LEU  28          1HD1      LEU  28   0.408   7.175  -1.277
  262   2HD1  LEU  28          2HD1      LEU  28   0.843   8.027  -2.758
  263   3HD1  LEU  28          3HD1      LEU  28   0.113   6.424  -2.845
  264   1HD2  LEU  28          1HD2      LEU  28  -2.461   7.288  -0.726
  265   2HD2  LEU  28          2HD2      LEU  28  -1.940   6.027  -1.843
  266   3HD2  LEU  28          3HD2      LEU  28  -3.220   7.144  -2.312
  267    H    SER  29           H        SER  29  -3.301  12.608  -2.545
  268    HA   SER  29           HA       SER  29  -3.329  13.707   0.049
  269   1HB   SER  29          2HB       SER  29  -0.990  13.875   0.064
  270   2HB   SER  29          1HB       SER  29  -0.916  14.301  -1.646
  271    HG   SER  29           HG       SER  29  -0.574  16.142  -0.408
  272    H    SER  30           H        SER  30  -2.248  15.390  -2.878
  273    HA   SER  30           HA       SER  30  -4.097  17.452  -2.708
  274   1HB   SER  30          2HB       SER  30  -1.976  17.285  -4.149
  275   2HB   SER  30          1HB       SER  30  -2.997  16.477  -5.339
  276    HG   SER  30           HG       SER  30  -4.397  18.410  -5.079
  277    H    SER  31           H        SER  31  -4.480  14.254  -4.008
  278    HA   SER  31           HA       SER  31  -6.740  14.773  -5.643
  279   1HB   SER  31          2HB       SER  31  -5.558  12.753  -6.058
  280   2HB   SER  31          1HB       SER  31  -5.674  12.255  -4.371
  281    HG   SER  31           HG       SER  31  -7.858  12.529  -6.165
  282    H    TRP  32           H        TRP  32  -6.327  14.133  -2.237
  283    HA   TRP  32           HA       TRP  32  -9.222  13.918  -1.865
  284   1HB   TRP  32          2HB       TRP  32  -7.039  13.617   0.205
  285   2HB   TRP  32          1HB       TRP  32  -8.735  13.172   0.381
  286    HD1  TRP  32           HD       TRP  32  -5.723  12.156  -1.854
  287    HE1  TRP  32           1HE      TRP  32  -5.910   9.632  -2.326
  288    HE3  TRP  32           3HE      TRP  32 -10.144  11.209   0.533
  289    HZ2  TRP  32           2HZ      TRP  32  -7.695   7.520  -1.762
  290    HZ3  TRP  32           3HZ      TRP  32 -11.024   8.910   0.519
  291    HH2  TRP  32           HH       TRP  32  -9.822   7.105  -0.605
  292    H    ALA  33           H        ALA  33  -7.445  16.432  -2.391
  293    HA   ALA  33           HA       ALA  33  -7.458  18.101  -0.177
  294   1HB   ALA  33          1HB       ALA  33  -6.977  19.813  -1.615
  295   2HB   ALA  33          2HB       ALA  33  -8.123  19.261  -2.836
  296   3HB   ALA  33          3HB       ALA  33  -6.579  18.431  -2.635
  297    H    ASP  34           H        ASP  34  -9.950  17.942  -2.731
  298    HA   ASP  34           HA       ASP  34 -11.794  19.437  -1.065
  299   1HB   ASP  34          2HB       ASP  34 -13.330  19.170  -3.049
  300   2HB   ASP  34          1HB       ASP  34 -11.822  20.015  -3.383
  301    H    GLY  35           H        GLY  35 -10.880  16.283  -1.118
  302   1HA   GLY  35          2HA       GLY  35 -11.798  14.422  -0.133
  303   2HA   GLY  35          1HA       GLY  35 -13.140  15.429   0.387
  304    H    LEU  36           H        LEU  36 -12.095  14.893  -2.939
  305    HA   LEU  36           HA       LEU  36 -14.758  14.216  -3.734
  306   1HB   LEU  36          2HB       LEU  36 -12.257  14.902  -5.014
  307   2HB   LEU  36          1HB       LEU  36 -13.020  13.545  -5.824
  308    HG   LEU  36           HG       LEU  36 -13.636  15.699  -6.834
  309   1HD1  LEU  36          1HD1      LEU  36 -16.021  15.326  -6.926
  310   2HD1  LEU  36          2HD1      LEU  36 -15.959  14.371  -5.446
  311   3HD1  LEU  36          3HD1      LEU  36 -15.178  13.777  -6.911
  312   1HD2  LEU  36          1HD2      LEU  36 -14.017  16.442  -4.085
  313   2HD2  LEU  36          2HD2      LEU  36 -15.498  16.722  -5.003
  314   3HD2  LEU  36          3HD2      LEU  36 -13.983  17.459  -5.525
  315    H    ALA  37           H        ALA  37 -11.792  12.408  -3.149
  316    HA   ALA  37           HA       ALA  37 -12.637   9.961  -4.275
  317   1HB   ALA  37          1HB       ALA  37 -10.506  10.756  -2.344
  318   2HB   ALA  37          2HB       ALA  37 -10.361  10.038  -3.950
  319   3HB   ALA  37          3HB       ALA  37 -10.870   9.047  -2.582
  320    H    LEU  38           H        LEU  38 -12.725  11.170  -0.932
  321    HA   LEU  38           HA       LEU  38 -13.960   8.840   0.130
  322   1HB   LEU  38          2HB       LEU  38 -13.017  11.378   1.104
  323   2HB   LEU  38          1HB       LEU  38 -14.602  11.040   1.773
  324    HG   LEU  38           HG       LEU  38 -12.496   8.921   1.884
  325   1HD1  LEU  38          1HD1      LEU  38 -11.179  10.519   2.857
  326   2HD1  LEU  38          2HD1      LEU  38 -12.102   9.975   4.259
  327   3HD1  LEU  38          3HD1      LEU  38 -12.554  11.464   3.428
  328   1HD2  LEU  38          1HD2      LEU  38 -13.824   8.837   4.211
  329   2HD2  LEU  38          2HD2      LEU  38 -14.368   8.002   2.757
  330   3HD2  LEU  38          3HD2      LEU  38 -15.067   9.563   3.190
  331    H    CYS  39           H        CYS  39 -15.155  11.914  -1.091
  332    HA   CYS  39           HA       CYS  39 -17.857  11.553  -0.322
  333   1HB   CYS  39          2HB       CYS  39 -16.387  13.359  -2.182
  334   2HB   CYS  39          1HB       CYS  39 -18.131  13.231  -2.367
  335    HG   CYS  39           HG       CYS  39 -17.176  15.153  -0.633
  336    H    ALA  40           H        ALA  40 -16.154  11.010  -3.394
  337    HA   ALA  40           HA       ALA  40 -18.306  10.148  -4.925
  338   1HB   ALA  40          1HB       ALA  40 -16.450   8.760  -6.117
  339   2HB   ALA  40          2HB       ALA  40 -15.367   9.628  -5.028
  340   3HB   ALA  40          3HB       ALA  40 -16.391  10.522  -6.152
  341    H    LEU  41           H        LEU  41 -16.216   8.308  -2.736
  342    HA   LEU  41           HA       LEU  41 -17.218   5.752  -3.347
  343   1HB   LEU  41          2HB       LEU  41 -16.020   6.803  -0.783
  344   2HB   LEU  41          1HB       LEU  41 -16.313   5.107  -1.120
  345    HG   LEU  41           HG       LEU  41 -14.602   6.688  -2.993
  346   1HD1  LEU  41          1HD1      LEU  41 -13.953   6.925  -0.458
  347   2HD1  LEU  41          2HD1      LEU  41 -12.726   6.614  -1.686
  348   3HD1  LEU  41          3HD1      LEU  41 -13.336   5.291  -0.692
  349   1HD2  LEU  41          1HD2      LEU  41 -13.905   4.665  -3.735
  350   2HD2  LEU  41          2HD2      LEU  41 -15.473   4.166  -3.101
  351   3HD2  LEU  41          3HD2      LEU  41 -14.014   3.919  -2.141
  352    H    VAL  42           H        VAL  42 -18.100   8.017  -0.744
  353    HA   VAL  42           HA       VAL  42 -20.110   6.440   0.408
  354    HB   VAL  42           HB       VAL  42 -19.999   9.458   0.336
  355   1HG1  VAL  42          1HG1      VAL  42 -22.149   8.468   1.084
  356   2HG1  VAL  42          2HG1      VAL  42 -21.325   9.389   2.342
  357   3HG1  VAL  42          3HG1      VAL  42 -21.275   7.626   2.363
  358   1HG2  VAL  42          1HG2      VAL  42 -18.486   9.462   2.044
  359   2HG2  VAL  42          2HG2      VAL  42 -17.976   7.988   1.220
  360   3HG2  VAL  42          3HG2      VAL  42 -19.000   7.888   2.651
  361    H    TYR  43           H        TYR  43 -20.343   9.029  -2.021
  362    HA   TYR  43           HA       TYR  43 -23.101   9.032  -2.363
  363   1HB   TYR  43          2HB       TYR  43 -21.488  10.681  -3.340
  364   2HB   TYR  43          1HB       TYR  43 -21.058   9.473  -4.547
  365    HD1  TYR  43           1HD      TYR  43 -22.411   9.123  -6.458
  366    HD2  TYR  43           2HD      TYR  43 -23.828  11.576  -3.285
  367    HE1  TYR  43           1HE      TYR  43 -24.270   9.879  -7.880
  368    HE2  TYR  43           2HE      TYR  43 -25.691  12.338  -4.695
  369    HH   TYR  43           HH       TYR  43 -26.170  12.539  -7.162
  370    H    ARG  44           H        ARG  44 -20.650   6.937  -3.788
  371    HA   ARG  44           HA       ARG  44 -22.291   5.671  -5.689
  372   1HB   ARG  44          2HB       ARG  44 -19.625   5.361  -4.649
  373   2HB   ARG  44          1HB       ARG  44 -20.389   3.786  -4.796
  374   1HG   ARG  44          2HG       ARG  44 -21.038   5.018  -7.170
  375   2HG   ARG  44          1HG       ARG  44 -19.396   5.579  -6.853
  376   1HD   ARG  44          2HD       ARG  44 -19.035   3.621  -8.030
  377   2HD   ARG  44          1HD       ARG  44 -18.901   3.087  -6.357
  378    HE   ARG  44           HE       ARG  44 -21.137   2.561  -8.180
  379   1HH1  ARG  44          1HH1      ARG  44 -19.586   2.021  -5.090
  380   2HH1  ARG  44          2HH1      ARG  44 -20.586   0.667  -4.693
  381   1HH2  ARG  44          1HH2      ARG  44 -22.443   0.781  -7.647
  382   2HH2  ARG  44          2HH2      ARG  44 -22.202  -0.037  -6.139
  383    H    LEU  45           H        LEU  45 -21.554   4.878  -2.316
  384    HA   LEU  45           HA       LEU  45 -23.130   2.490  -2.316
  385   1HB   LEU  45          2HB       LEU  45 -21.660   4.089  -0.282
  386   2HB   LEU  45          1HB       LEU  45 -22.905   2.991   0.286
  387    HG   LEU  45           HG       LEU  45 -20.610   2.026   0.314
  388   1HD1  LEU  45          1HD1      LEU  45 -22.943   0.813  -0.226
  389   2HD1  LEU  45          2HD1      LEU  45 -21.409  -0.046  -0.080
  390   3HD1  LEU  45          3HD1      LEU  45 -22.034   0.378  -1.673
  391   1HD2  LEU  45          1HD2      LEU  45 -19.580   1.369  -1.792
  392   2HD2  LEU  45          2HD2      LEU  45 -19.764   3.120  -1.706
  393   3HD2  LEU  45          3HD2      LEU  45 -20.874   2.164  -2.688
  394    H    GLN  46           H        GLN  46 -23.623   5.828  -1.285
  395    HA   GLN  46           HA       GLN  46 -26.507   5.368  -1.303
  396   1HB   GLN  46          2HB       GLN  46 -24.905   5.911   1.088
  397   2HB   GLN  46          1HB       GLN  46 -26.231   7.047   0.870
  398   1HG   GLN  46          2HG       GLN  46 -27.806   5.499   1.299
  399   2HG   GLN  46          1HG       GLN  46 -26.908   4.206   0.508
  400   1HE2  GLN  46          1HE2      GLN  46 -27.595   5.812   3.462
  401   2HE2  GLN  46          2HE2      GLN  46 -26.683   4.774   4.498
  402    HA   PRO  47           HA       PRO  47 -25.240   9.307  -3.384
  403   1HB   PRO  47          2HB       PRO  47 -26.807   8.987  -5.565
  404   2HB   PRO  47          1HB       PRO  47 -25.200   8.262  -5.436
  405   1HG   PRO  47          2HG       PRO  47 -27.884   7.012  -4.983
  406   2HG   PRO  47          1HG       PRO  47 -26.476   6.359  -5.843
  407   1HD   PRO  47          2HD       PRO  47 -27.101   5.656  -3.297
  408   2HD   PRO  47          1HD       PRO  47 -25.432   5.710  -3.897
  409    H    GLY  48           H        GLY  48 -28.365   7.839  -2.754
  410   1HA   GLY  48          2HA       GLY  48 -29.921  10.183  -3.170
  411   2HA   GLY  48          1HA       GLY  48 -30.427   8.747  -2.293
  412    H    LEU  49           H        LEU  49 -28.270   8.844  -0.369
  413    HA   LEU  49           HA       LEU  49 -29.366  10.951   1.332
  414   1HB   LEU  49          2HB       LEU  49 -28.396   8.277   1.751
  415   2HB   LEU  49          1HB       LEU  49 -27.519   9.391   2.781
  416    HG   LEU  49           HG       LEU  49 -30.519   9.061   2.687
  417   1HD1  LEU  49          1HD1      LEU  49 -29.359   7.187   3.746
  418   2HD1  LEU  49          2HD1      LEU  49 -30.265   8.138   4.923
  419   3HD1  LEU  49          3HD1      LEU  49 -28.514   8.311   4.811
  420   1HD2  LEU  49          1HD2      LEU  49 -29.252  11.356   3.287
  421   2HD2  LEU  49          2HD2      LEU  49 -29.212  10.564   4.860
  422   3HD2  LEU  49          3HD2      LEU  49 -30.755  10.842   4.053
  423    H    LEU  50           H        LEU  50 -27.288  11.349  -0.849
  424    HA   LEU  50           HA       LEU  50 -25.487  12.947   0.799
  425   1HB   LEU  50          2HB       LEU  50 -24.703  10.517  -0.453
  426   2HB   LEU  50          1HB       LEU  50 -23.924  11.832  -1.312
  427    HG   LEU  50           HG       LEU  50 -23.120  12.661   0.955
  428   1HD1  LEU  50          1HD1      LEU  50 -24.335  11.624   2.590
  429   2HD1  LEU  50          2HD1      LEU  50 -22.925  10.569   2.537
  430   3HD1  LEU  50          3HD1      LEU  50 -24.413  10.094   1.720
  431   1HD2  LEU  50          1HD2      LEU  50 -22.191  10.025  -0.170
  432   2HD2  LEU  50          2HD2      LEU  50 -21.304  10.942   1.048
  433   3HD2  LEU  50          3HD2      LEU  50 -21.580  11.637  -0.550
  434    H    GLU  51           H        GLU  51 -24.157  14.445  -0.558
  435    HA   GLU  51           HA       GLU  51 -25.097  15.027  -3.218
  436   1HB   GLU  51          2HB       GLU  51 -26.042  16.557  -0.865
  437   2HB   GLU  51          1HB       GLU  51 -25.504  17.516  -2.236
  438   1HG   GLU  51          2HG       GLU  51 -27.591  15.350  -2.351
  439   2HG   GLU  51          1HG       GLU  51 -27.920  17.079  -2.257
  440    HA   PRO  52           HA       PRO  52 -20.712  16.270  -1.730
  441   1HB   PRO  52          2HB       PRO  52 -19.439  14.609  -3.530
  442   2HB   PRO  52          1HB       PRO  52 -19.740  14.219  -1.834
  443   1HG   PRO  52          2HG       PRO  52 -21.281  13.414  -4.266
  444   2HG   PRO  52          1HG       PRO  52 -20.860  12.455  -2.834
  445   1HD   PRO  52          2HD       PRO  52 -23.314  13.478  -3.153
  446   2HD   PRO  52          1HD       PRO  52 -22.550  13.397  -1.552
  447    H    SER  53           H        SER  53 -22.494  15.996  -4.687
  448    HA   SER  53           HA       SER  53 -20.750  17.140  -6.518
  449   1HB   SER  53          2HB       SER  53 -23.755  17.414  -6.296
  450   2HB   SER  53          1HB       SER  53 -22.818  17.937  -7.694
  451    HG   SER  53           HG       SER  53 -23.127  15.954  -8.326
  452    H    GLU  54           H        GLU  54 -22.952  18.687  -4.232
  453    HA   GLU  54           HA       GLU  54 -22.293  21.351  -5.016
  454   1HB   GLU  54          2HB       GLU  54 -23.976  20.051  -2.997
  455   2HB   GLU  54          1HB       GLU  54 -23.263  21.562  -2.449
  456   1HG   GLU  54          2HG       GLU  54 -24.895  22.629  -3.487
  457   2HG   GLU  54          1HG       GLU  54 -24.208  22.090  -5.018
  458    H    LEU  55           H        LEU  55 -21.395  19.326  -2.236
  459    HA   LEU  55           HA       LEU  55 -19.619  21.208  -1.087
  460   1HB   LEU  55          2HB       LEU  55 -19.521  18.220  -0.734
  461   2HB   LEU  55          1HB       LEU  55 -18.948  19.448   0.379
  462    HG   LEU  55           HG       LEU  55 -21.822  19.589  -0.269
  463   1HD1  LEU  55          1HD1      LEU  55 -20.570  17.143   0.796
  464   2HD1  LEU  55          2HD1      LEU  55 -22.108  17.364  -0.038
  465   3HD1  LEU  55          3HD1      LEU  55 -21.973  17.744   1.679
  466   1HD2  LEU  55          1HD2      LEU  55 -21.645  19.612   2.396
  467   2HD2  LEU  55          2HD2      LEU  55 -21.351  21.040   1.405
  468   3HD2  LEU  55          3HD2      LEU  55 -19.993  20.086   2.001
  469    H    GLN  56           H        GLN  56 -19.301  19.341  -3.874
  470    HA   GLN  56           HA       GLN  56 -16.618  18.562  -3.793
  471   1HB   GLN  56          2HB       GLN  56 -18.157  17.749  -5.497
  472   2HB   GLN  56          1HB       GLN  56 -18.319  19.371  -6.155
  473   1HG   GLN  56          2HG       GLN  56 -15.553  18.585  -6.058
  474   2HG   GLN  56          1HG       GLN  56 -16.516  17.395  -6.932
  475   1HE2  GLN  56          1HE2      GLN  56 -17.270  17.874  -8.922
  476   2HE2  GLN  56          2HE2      GLN  56 -16.974  19.364  -9.744
  477    H    GLY  57           H        GLY  57 -18.112  21.606  -4.752
  478   1HA   GLY  57          2HA       GLY  57 -15.398  22.777  -4.875
  479   2HA   GLY  57          1HA       GLY  57 -16.699  23.281  -5.944
  480    H    LEU  58           H        LEU  58 -18.359  22.821  -3.254
  481    HA   LEU  58           HA       LEU  58 -18.545  25.581  -2.636
  482   1HB   LEU  58          2HB       LEU  58 -19.806  23.080  -1.720
  483   2HB   LEU  58          1HB       LEU  58 -19.764  24.368  -0.531
  484    HG   LEU  58           HG       LEU  58 -20.695  25.245  -3.168
  485   1HD1  LEU  58          1HD1      LEU  58 -21.855  22.861  -1.915
  486   2HD1  LEU  58          2HD1      LEU  58 -21.987  23.456  -3.570
  487   3HD1  LEU  58          3HD1      LEU  58 -23.015  24.131  -2.307
  488   1HD2  LEU  58          1HD2      LEU  58 -20.853  26.699  -1.278
  489   2HD2  LEU  58          2HD2      LEU  58 -21.709  25.475  -0.340
  490   3HD2  LEU  58          3HD2      LEU  58 -22.488  26.223  -1.735
  491    H    GLY  59           H        GLY  59 -16.609  22.981  -1.405
  492   1HA   GLY  59          2HA       GLY  59 -14.811  24.583  -0.051
  493   2HA   GLY  59          1HA       GLY  59 -16.024  24.133   1.136
  494    H    ALA  60           H        ALA  60 -13.103  23.442   0.731
  495    HA   ALA  60           HA       ALA  60 -13.042  20.634   0.169
  496   1HB   ALA  60          1HB       ALA  60 -11.153  22.561   0.165
  497   2HB   ALA  60          2HB       ALA  60 -10.798  20.835   0.238
  498   3HB   ALA  60          3HB       ALA  60 -10.823  21.794   1.718
  499    H    LEU  61           H        LEU  61 -12.412  22.479   3.160
  500    HA   LEU  61           HA       LEU  61 -12.389  20.258   4.869
  501   1HB   LEU  61          2HB       LEU  61 -11.791  22.854   5.178
  502   2HB   LEU  61          1HB       LEU  61 -13.374  22.847   5.932
  503    HG   LEU  61           HG       LEU  61 -11.698  22.558   7.631
  504   1HD1  LEU  61          1HD1      LEU  61 -12.638  19.766   7.441
  505   2HD1  LEU  61          2HD1      LEU  61 -13.877  21.020   7.399
  506   3HD1  LEU  61          3HD1      LEU  61 -12.767  20.923   8.766
  507   1HD2  LEU  61          1HD2      LEU  61 -10.451  20.208   7.407
  508   2HD2  LEU  61          2HD2      LEU  61  -9.770  21.715   6.795
  509   3HD2  LEU  61          3HD2      LEU  61 -10.599  20.611   5.696
  510    H    GLU  62           H        GLU  62 -15.015  22.335   3.776
  511    HA   GLU  62           HA       GLU  62 -16.994  21.384   5.546
  512   1HB   GLU  62          2HB       GLU  62 -17.067  23.465   4.066
  513   2HB   GLU  62          1HB       GLU  62 -17.518  22.386   2.751
  514   1HG   GLU  62          2HG       GLU  62 -19.375  21.603   4.397
  515   2HG   GLU  62          1HG       GLU  62 -19.054  23.146   5.189
  516    H    ALA  63           H        ALA  63 -16.019  20.360   2.300
  517    HA   ALA  63           HA       ALA  63 -18.041  18.438   1.922
  518   1HB   ALA  63          1HB       ALA  63 -16.842  17.730   0.043
  519   2HB   ALA  63          2HB       ALA  63 -15.293  18.204   0.740
  520   3HB   ALA  63          3HB       ALA  63 -16.433  19.438   0.200
  521    H    THR  64           H        THR  64 -14.763  18.185   3.249
  522    HA   THR  64           HA       THR  64 -14.794  15.383   3.611
  523    HB   THR  64           HB       THR  64 -13.206  17.451   5.144
  524    HG1  THR  64           1HG      THR  64 -11.611  16.995   3.552
  525   1HG2  THR  64          1HG2      THR  64 -13.151  15.182   6.127
  526   2HG2  THR  64          2HG2      THR  64 -11.587  15.741   5.534
  527   3HG2  THR  64          3HG2      THR  64 -12.520  14.577   4.594
  528    H    ALA  65           H        ALA  65 -15.382  18.054   5.892
  529    HA   ALA  65           HA       ALA  65 -15.958  16.467   8.126
  530   1HB   ALA  65          1HB       ALA  65 -16.400  19.286   7.361
  531   2HB   ALA  65          2HB       ALA  65 -15.646  18.604   8.802
  532   3HB   ALA  65          3HB       ALA  65 -17.403  18.655   8.666
  533    H    TRP  66           H        TRP  66 -18.085  17.804   5.625
  534    HA   TRP  66           HA       TRP  66 -20.507  16.901   6.775
  535   1HB   TRP  66          2HB       TRP  66 -20.091  18.653   4.892
  536   2HB   TRP  66          1HB       TRP  66 -20.149  17.260   3.816
  537    HD1  TRP  66           HD       TRP  66 -22.364  19.479   5.960
  538    HE1  TRP  66           1HE      TRP  66 -24.829  18.917   5.482
  539    HE3  TRP  66           3HE      TRP  66 -21.700  15.291   3.103
  540    HZ2  TRP  66           2HZ      TRP  66 -26.298  16.957   4.078
  541    HZ3  TRP  66           3HZ      TRP  66 -23.688  14.131   2.232
  542    HH2  TRP  66           HH       TRP  66 -25.939  14.948   2.711
  543    H    ALA  67           H        ALA  67 -18.442  15.556   4.214
  544    HA   ALA  67           HA       ALA  67 -20.034  13.273   3.729
  545   1HB   ALA  67          1HB       ALA  67 -17.087  13.235   3.266
  546   2HB   ALA  67          2HB       ALA  67 -18.099  14.340   2.336
  547   3HB   ALA  67          3HB       ALA  67 -18.393  12.603   2.264
  548    H    LEU  68           H        LEU  68 -17.346  13.897   5.923
  549    HA   LEU  68           HA       LEU  68 -16.891  11.233   6.713
  550   1HB   LEU  68          2HB       LEU  68 -15.404  13.244   7.109
  551   2HB   LEU  68          1HB       LEU  68 -16.475  13.672   8.429
  552    HG   LEU  68           HG       LEU  68 -15.926  11.166   9.169
  553   1HD1  LEU  68          1HD1      LEU  68 -13.543  10.700   8.746
  554   2HD1  LEU  68          2HD1      LEU  68 -13.503  12.051   7.612
  555   3HD1  LEU  68          3HD1      LEU  68 -14.518  10.648   7.277
  556   1HD2  LEU  68          1HD2      LEU  68 -15.593  13.012  10.625
  557   2HD2  LEU  68          2HD2      LEU  68 -14.276  13.640   9.635
  558   3HD2  LEU  68          3HD2      LEU  68 -14.059  12.143  10.542
  559    H    LYS  69           H        LYS  69 -18.924  13.782   8.131
  560    HA   LYS  69           HA       LYS  69 -19.815  12.261  10.332
  561   1HB   LYS  69          2HB       LYS  69 -19.980  14.818   9.864
  562   2HB   LYS  69          1HB       LYS  69 -21.493  14.403   9.071
  563   1HG   LYS  69          2HG       LYS  69 -21.094  13.309  11.782
  564   2HG   LYS  69          1HG       LYS  69 -21.315  15.056  11.656
  565   1HD   LYS  69          2HD       LYS  69 -23.182  13.436  10.061
  566   2HD   LYS  69          1HD       LYS  69 -23.344  13.266  11.810
  567   1HE   LYS  69          2HE       LYS  69 -23.695  15.607  12.081
  568   2HE   LYS  69          1HE       LYS  69 -23.259  15.928  10.404
  569   1HZ   LYS  69          1HZ       LYS  69 -25.270  14.277  10.016
  570   2HZ   LYS  69          2HZ       LYS  69 -25.499  15.942  10.204
  571   3HZ   LYS  69          3HZ       LYS  69 -25.754  14.901  11.512
  572    H    VAL  70           H        VAL  70 -21.313  12.899   7.167
  573    HA   VAL  70           HA       VAL  70 -23.609  11.304   7.662
  574    HB   VAL  70           HB       VAL  70 -24.004  11.437   5.231
  575   1HG1  VAL  70          1HG1      VAL  70 -24.951  13.296   6.093
  576   2HG1  VAL  70          2HG1      VAL  70 -23.659  14.106   5.209
  577   3HG1  VAL  70          3HG1      VAL  70 -23.481  13.787   6.934
  578   1HG2  VAL  70          1HG2      VAL  70 -21.190  12.426   5.248
  579   2HG2  VAL  70          2HG2      VAL  70 -22.312  13.037   4.033
  580   3HG2  VAL  70          3HG2      VAL  70 -21.984  11.307   4.141
  581    H    ALA  71           H        ALA  71 -20.490  10.663   6.134
  582    HA   ALA  71           HA       ALA  71 -21.021   8.163   5.035
  583   1HB   ALA  71          1HB       ALA  71 -18.973   9.155   4.456
  584   2HB   ALA  71          2HB       ALA  71 -18.532   7.756   5.436
  585   3HB   ALA  71          3HB       ALA  71 -18.503   9.372   6.143
  586    H    GLU  72           H        GLU  72 -19.903   9.005   8.293
  587    HA   GLU  72           HA       GLU  72 -19.799   6.320   9.221
  588   1HB   GLU  72          2HB       GLU  72 -19.576   7.308  11.453
  589   2HB   GLU  72          1HB       GLU  72 -18.507   8.094  10.299
  590   1HG   GLU  72          2HG       GLU  72 -19.865  10.018  10.203
  591   2HG   GLU  72          1HG       GLU  72 -21.195   9.212  11.032
  592    H    ASN  73           H        ASN  73 -22.240   8.846   9.242
  593    HA   ASN  73           HA       ASN  73 -24.062   7.518  10.961
  594   1HB   ASN  73          2HB       ASN  73 -24.057   9.926   9.279
  595   2HB   ASN  73          1HB       ASN  73 -25.638   9.170   9.453
  596   1HD2  ASN  73          1HD2      ASN  73 -22.862  10.316  11.312
  597   2HD2  ASN  73          2HD2      ASN  73 -23.768  10.800  12.701
  598    H    GLU  74           H        GLU  74 -23.709   7.650   7.442
  599    HA   GLU  74           HA       GLU  74 -26.060   6.053   6.986
  600   1HB   GLU  74          2HB       GLU  74 -23.952   7.279   5.262
  601   2HB   GLU  74          1HB       GLU  74 -24.972   6.012   4.594
  602   1HG   GLU  74          2HG       GLU  74 -26.623   7.441   4.261
  603   2HG   GLU  74          1HG       GLU  74 -26.596   7.933   5.954
  604    H    LEU  75           H        LEU  75 -22.554   5.491   6.847
  605    HA   LEU  75           HA       LEU  75 -23.007   2.696   6.161
  606   1HB   LEU  75          2HB       LEU  75 -20.499   4.335   6.460
  607   2HB   LEU  75          1HB       LEU  75 -20.487   2.613   6.135
  608    HG   LEU  75           HG       LEU  75 -21.933   3.196   4.077
  609   1HD1  LEU  75          1HD1      LEU  75 -20.763   5.897   4.722
  610   2HD1  LEU  75          2HD1      LEU  75 -22.475   5.474   4.657
  611   3HD1  LEU  75          3HD1      LEU  75 -21.505   5.455   3.185
  612   1HD2  LEU  75          1HD2      LEU  75 -19.148   4.262   3.889
  613   2HD2  LEU  75          2HD2      LEU  75 -20.038   3.244   2.757
  614   3HD2  LEU  75          3HD2      LEU  75 -19.423   2.561   4.263
  615    H    GLY  76           H        GLY  76 -21.977   4.627   8.904
  616   1HA   GLY  76          2HA       GLY  76 -22.117   3.940  11.148
  617   2HA   GLY  76          1HA       GLY  76 -22.273   2.277  10.603
  618    H    ILE  77           H        ILE  77 -19.751   4.367   9.413
  619    HA   ILE  77           HA       ILE  77 -17.780   2.690  10.812
  620    HB   ILE  77           HB       ILE  77 -17.306   4.402   8.371
  621   1HG1  ILE  77          2HG1      ILE  77 -17.558   1.404   8.346
  622   2HG1  ILE  77          1HG1      ILE  77 -18.976   2.429   8.156
  623   1HG2  ILE  77          1HG2      ILE  77 -15.298   2.946   8.145
  624   2HG2  ILE  77          2HG2      ILE  77 -15.678   2.259   9.723
  625   3HG2  ILE  77          3HG2      ILE  77 -15.286   3.972   9.579
  626   1HD1  ILE  77          1HD1      ILE  77 -18.502   2.810   6.026
  627   2HD1  ILE  77          2HD1      ILE  77 -17.268   1.557   6.162
  628   3HD1  ILE  77          3HD1      ILE  77 -16.837   3.251   6.403
  629    H    THR  78           H        THR  78 -16.623   3.579  12.384
  630    HA   THR  78           HA       THR  78 -16.855   6.359  13.008
  631    HB   THR  78           HB       THR  78 -15.003   4.298  14.218
  632    HG1  THR  78           1HG      THR  78 -17.226   3.708  14.326
  633   1HG2  THR  78          1HG2      THR  78 -14.810   6.891  14.697
  634   2HG2  THR  78          2HG2      THR  78 -14.613   5.681  15.965
  635   3HG2  THR  78          3HG2      THR  78 -16.149   6.528  15.785
  636    HA   PRO  79           HA       PRO  79 -13.557   7.886  10.422
  637   1HB   PRO  79          2HB       PRO  79 -13.353   9.943  12.565
  638   2HB   PRO  79          1HB       PRO  79 -13.532  10.149  10.819
  639   1HG   PRO  79          2HG       PRO  79 -15.591  10.568  12.455
  640   2HG   PRO  79          1HG       PRO  79 -15.822   9.791  10.878
  641   1HD   PRO  79          2HD       PRO  79 -15.769   8.572  13.604
  642   2HD   PRO  79          1HD       PRO  79 -16.771   8.154  12.198
  643    H    VAL  80           H        VAL  80 -11.318   7.926  10.419
  644    HA   VAL  80           HA       VAL  80  -9.989   7.224  12.954
  645    HB   VAL  80           HB       VAL  80  -9.228   6.100  10.259
  646   1HG1  VAL  80          1HG1      VAL  80  -7.307   5.892  11.459
  647   2HG1  VAL  80          2HG1      VAL  80  -8.129   4.433  12.014
  648   3HG1  VAL  80          3HG1      VAL  80  -8.145   5.888  13.011
  649   1HG2  VAL  80          1HG2      VAL  80 -11.152   5.160  12.303
  650   2HG2  VAL  80          2HG2      VAL  80 -10.086   3.950  11.589
  651   3HG2  VAL  80          3HG2      VAL  80 -11.142   4.916  10.558
  652    H    VAL  81           H        VAL  81 -10.230   9.540  10.663
  653    HA   VAL  81           HA       VAL  81  -7.556  10.544  11.252
  654    HB   VAL  81           HB       VAL  81  -7.266  11.249   8.855
  655   1HG1  VAL  81          1HG1      VAL  81  -6.333   9.110  10.071
  656   2HG1  VAL  81          2HG1      VAL  81  -6.080   9.357   8.343
  657   3HG1  VAL  81          3HG1      VAL  81  -7.355   8.274   8.902
  658   1HG2  VAL  81          1HG2      VAL  81  -9.034   9.079   7.938
  659   2HG2  VAL  81          2HG2      VAL  81  -8.679  10.644   7.205
  660   3HG2  VAL  81          3HG2      VAL  81  -9.843  10.531   8.526
  661    H    SER  82           H        SER  82  -7.320  12.849  10.733
  662    HA   SER  82           HA       SER  82  -9.793  14.260  11.290
  663   1HB   SER  82          2HB       SER  82  -7.130  14.637  12.033
  664   2HB   SER  82          1HB       SER  82  -7.458  15.954  10.908
  665    HG   SER  82           HG       SER  82  -7.996  16.193  13.279
  666    H    ALA  83           H        ALA  83 -10.452  16.145  10.086
  667    HA   ALA  83           HA       ALA  83 -10.547  15.694   7.303
  668   1HB   ALA  83          1HB       ALA  83 -12.078  17.367   7.240
  669   2HB   ALA  83          2HB       ALA  83 -11.148  18.409   8.319
  670   3HB   ALA  83          3HB       ALA  83 -12.094  17.074   8.979
  671    H    GLN  84           H        GLN  84  -8.721  18.012   9.269
  672    HA   GLN  84           HA       GLN  84  -7.553  19.415   7.124
  673   1HB   GLN  84          2HB       GLN  84  -7.642  19.953   9.682
  674   2HB   GLN  84          1HB       GLN  84  -6.133  19.053   9.737
  675   1HG   GLN  84          2HG       GLN  84  -5.525  20.677   7.737
  676   2HG   GLN  84          1HG       GLN  84  -6.733  21.690   8.528
  677   1HE2  GLN  84          1HE2      GLN  84  -3.522  20.741   8.483
  678   2HE2  GLN  84          2HE2      GLN  84  -3.029  21.418   9.995
  679    H    ALA  85           H        ALA  85  -6.664  16.455   8.775
  680    HA   ALA  85           HA       ALA  85  -4.031  16.256   7.741
  681   1HB   ALA  85          1HB       ALA  85  -5.118  15.006   9.721
  682   2HB   ALA  85          2HB       ALA  85  -3.948  14.151   8.715
  683   3HB   ALA  85          3HB       ALA  85  -5.674  13.870   8.492
  684    H    VAL  86           H        VAL  86  -7.129  14.852   6.699
  685    HA   VAL  86           HA       VAL  86  -6.017  13.457   4.485
  686    HB   VAL  86           HB       VAL  86  -8.140  12.770   5.484
  687   1HG1  VAL  86          1HG1      VAL  86  -9.010  14.985   6.040
  688   2HG1  VAL  86          2HG1      VAL  86 -10.185  14.041   5.124
  689   3HG1  VAL  86          3HG1      VAL  86  -9.263  15.316   4.328
  690   1HG2  VAL  86          1HG2      VAL  86  -7.640  13.112   2.688
  691   2HG2  VAL  86          2HG2      VAL  86  -9.371  13.246   2.993
  692   3HG2  VAL  86          3HG2      VAL  86  -8.493  11.808   3.513
  693    H    VAL  87           H        VAL  87  -7.664  16.585   4.815
  694    HA   VAL  87           HA       VAL  87  -7.753  17.196   2.062
  695    HB   VAL  87           HB       VAL  87  -7.621  19.137   4.377
  696   1HG1  VAL  87          1HG1      VAL  87  -7.406  20.583   2.657
  697   2HG1  VAL  87          2HG1      VAL  87  -9.146  20.340   2.509
  698   3HG1  VAL  87          3HG1      VAL  87  -8.039  19.439   1.473
  699   1HG2  VAL  87          1HG2      VAL  87 -10.186  18.447   3.065
  700   2HG2  VAL  87          2HG2      VAL  87  -9.848  18.872   4.741
  701   3HG2  VAL  87          3HG2      VAL  87  -9.490  17.250   4.155
  702    H    ALA  88           H        ALA  88  -5.330  17.800   4.556
  703    HA   ALA  88           HA       ALA  88  -3.636  19.292   2.748
  704   1HB   ALA  88          1HB       ALA  88  -2.306  19.774   4.576
  705   2HB   ALA  88          2HB       ALA  88  -2.731  18.280   5.412
  706   3HB   ALA  88          3HB       ALA  88  -3.899  19.600   5.311
  707    H    GLY  89           H        GLY  89  -4.163  16.009   3.443
  708   1HA   GLY  89          2HA       GLY  89  -3.099  14.103   2.742
  709   2HA   GLY  89          1HA       GLY  89  -2.218  15.121   1.614
  710    H    SER  90           H        SER  90  -2.095  15.596   5.077
  711    HA   SER  90           HA       SER  90   0.765  14.967   5.001
  712   1HB   SER  90          2HB       SER  90   0.554  16.059   7.397
  713   2HB   SER  90          1HB       SER  90   0.584  17.069   5.952
  714    HG   SER  90           HG       SER  90  -1.509  16.506   7.692
  715    H    ASP  91           H        ASP  91  -1.261  12.879   5.060
  716    HA   ASP  91           HA       ASP  91  -0.166  11.318   7.201
  717   1HB   ASP  91          2HB       ASP  91  -2.237  12.767   8.054
  718   2HB   ASP  91          1HB       ASP  91  -3.140  11.442   7.326
  719    HA   PRO  92           HA       PRO  92  -1.453   9.112   3.273
  720   1HB   PRO  92          2HB       PRO  92   0.873   7.652   3.156
  721   2HB   PRO  92          1HB       PRO  92   0.632   9.205   2.348
  722   1HG   PRO  92          2HG       PRO  92   1.989   8.609   4.947
  723   2HG   PRO  92          1HG       PRO  92   2.474   9.729   3.660
  724   1HD   PRO  92          2HD       PRO  92   1.291  10.595   5.911
  725   2HD   PRO  92          1HD       PRO  92   0.971  11.357   4.339
  726    H    LEU  93           H        LEU  93   0.274   7.866   6.119
  727    HA   LEU  93           HA       LEU  93  -0.516   5.198   5.917
  728   1HB   LEU  93          2HB       LEU  93   0.343   6.948   8.183
  729   2HB   LEU  93          1HB       LEU  93  -0.265   5.338   8.526
  730    HG   LEU  93           HG       LEU  93   2.043   5.885   6.662
  731   1HD1  LEU  93          1HD1      LEU  93   3.535   5.664   8.369
  732   2HD1  LEU  93          2HD1      LEU  93   2.435   4.702   9.356
  733   3HD1  LEU  93          3HD1      LEU  93   2.219   6.448   9.241
  734   1HD2  LEU  93          1HD2      LEU  93   1.433   3.786   6.070
  735   2HD2  LEU  93          2HD2      LEU  93   0.608   3.475   7.597
  736   3HD2  LEU  93          3HD2      LEU  93   2.366   3.369   7.507
  737    H    GLY  94           H        GLY  94  -2.157   7.986   7.300
  738   1HA   GLY  94          2HA       GLY  94  -4.255   6.487   8.533
  739   2HA   GLY  94          1HA       GLY  94  -4.251   8.218   8.236
  740    H    LEU  95           H        LEU  95  -3.974   8.224   5.454
  741    HA   LEU  95           HA       LEU  95  -6.635   7.937   4.633
  742   1HB   LEU  95          2HB       LEU  95  -4.160   8.038   2.905
  743   2HB   LEU  95          1HB       LEU  95  -5.800   8.346   2.368
  744    HG   LEU  95           HG       LEU  95  -4.453  10.014   4.482
  745   1HD1  LEU  95          1HD1      LEU  95  -3.485   9.865   1.974
  746   2HD1  LEU  95          2HD1      LEU  95  -3.457  11.332   2.952
  747   3HD1  LEU  95          3HD1      LEU  95  -4.732  11.093   1.757
  748   1HD2  LEU  95          1HD2      LEU  95  -7.064   9.857   3.868
  749   2HD2  LEU  95          2HD2      LEU  95  -6.549  11.074   2.700
  750   3HD2  LEU  95          3HD2      LEU  95  -6.281  11.337   4.423
  751    H    ILE  96           H        ILE  96  -3.824   5.836   4.140
  752    HA   ILE  96           HA       ILE  96  -5.162   3.943   2.506
  753    HB   ILE  96           HB       ILE  96  -2.743   3.477   4.255
  754   1HG1  ILE  96          2HG1      ILE  96  -2.774   4.243   1.334
  755   2HG1  ILE  96          1HG1      ILE  96  -2.597   5.423   2.627
  756   1HG2  ILE  96          1HG2      ILE  96  -4.135   1.897   2.180
  757   2HG2  ILE  96          2HG2      ILE  96  -3.213   1.365   3.586
  758   3HG2  ILE  96          3HG2      ILE  96  -2.371   1.895   2.130
  759   1HD1  ILE  96          1HD1      ILE  96  -0.419   5.012   1.997
  760   2HD1  ILE  96          2HD1      ILE  96  -0.708   3.291   1.745
  761   3HD1  ILE  96          3HD1      ILE  96  -0.624   3.940   3.383
  762    H    ALA  97           H        ALA  97  -4.570   4.153   5.987
  763    HA   ALA  97           HA       ALA  97  -5.554   1.622   6.698
  764   1HB   ALA  97          1HB       ALA  97  -5.136   2.268   8.807
  765   2HB   ALA  97          2HB       ALA  97  -6.050   3.766   8.638
  766   3HB   ALA  97          3HB       ALA  97  -4.391   3.674   8.048
  767    H    TYR  98           H        TYR  98  -7.177   4.741   6.318
  768    HA   TYR  98           HA       TYR  98  -9.713   3.859   7.243
  769   1HB   TYR  98          2HB       TYR  98  -8.734   6.286   6.855
  770   2HB   TYR  98          1HB       TYR  98  -9.478   6.092   5.271
  771    HD1  TYR  98           1HD      TYR  98 -11.342   7.482   5.273
  772    HD2  TYR  98           2HD      TYR  98 -10.647   4.956   8.624
  773    HE1  TYR  98           1HE      TYR  98 -13.517   8.142   6.213
  774    HE2  TYR  98           2HE      TYR  98 -12.820   5.608   9.574
  775    HH   TYR  98           HH       TYR  98 -14.620   8.233   8.412
  776    H    LEU  99           H        LEU  99  -8.238   4.116   4.040
  777    HA   LEU  99           HA       LEU  99 -10.489   3.487   2.504
  778   1HB   LEU  99          2HB       LEU  99  -7.735   3.908   2.063
  779   2HB   LEU  99          1HB       LEU  99  -8.113   2.351   1.348
  780    HG   LEU  99           HG       LEU  99  -9.881   4.676   0.729
  781   1HD1  LEU  99          1HD1      LEU  99  -8.454   5.394  -1.066
  782   2HD1  LEU  99          2HD1      LEU  99  -7.262   4.156  -0.668
  783   3HD1  LEU  99          3HD1      LEU  99  -7.559   5.488   0.449
  784   1HD2  LEU  99          1HD2      LEU  99  -8.934   2.271  -0.827
  785   2HD2  LEU  99          2HD2      LEU  99 -10.058   3.494  -1.418
  786   3HD2  LEU  99          3HD2      LEU  99 -10.508   2.467  -0.056
  787    H    SER 100           H        SER 100  -8.250   1.455   4.271
  788    HA   SER 100           HA       SER 100  -8.941  -1.022   3.128
  789   1HB   SER 100          2HB       SER 100  -7.011  -0.359   4.789
  790   2HB   SER 100          1HB       SER 100  -8.189  -0.809   6.022
  791    HG   SER 100           HG       SER 100  -6.943  -2.602   5.452
  792    H    HIS 101           H        HIS 101 -10.357   0.857   5.741
  793    HA   HIS 101           HA       HIS 101 -12.148  -1.166   6.633
  794   1HB   HIS 101          2HB       HIS 101 -11.349   1.140   7.720
  795   2HB   HIS 101          1HB       HIS 101 -12.844   1.708   6.985
  796    HD1  HIS 101           1HD      HIS 101 -15.040   0.961   8.048
  797    HD2  HIS 101           2HD      HIS 101 -11.686  -0.741   9.813
  798    HE1  HIS 101           1HE      HIS 101 -15.871  -0.129  10.156
  799    HE2  HIS 101           2HE      HIS 101 -13.839  -1.231  11.160
  800    H    PHE 102           H        PHE 102 -12.381   1.481   4.315
  801    HA   PHE 102           HA       PHE 102 -15.159   1.220   3.816
  802   1HB   PHE 102          2HB       PHE 102 -12.873   2.569   2.436
  803   2HB   PHE 102          1HB       PHE 102 -14.400   2.387   1.577
  804    HD1  PHE 102           1HD      PHE 102 -12.589   4.662   3.300
  805    HD2  PHE 102           2HD      PHE 102 -16.477   2.935   3.348
  806    HE1  PHE 102           1HE      PHE 102 -13.458   6.663   4.439
  807    HE2  PHE 102           2HE      PHE 102 -17.354   4.932   4.486
  808    HZ   PHE 102           HZ       PHE 102 -15.845   6.800   5.032
  809    H    HIS 103           H        HIS 103 -12.279  -0.197   2.363
  810    HA   HIS 103           HA       HIS 103 -13.524  -1.397   0.142
  811   1HB   HIS 103          2HB       HIS 103 -11.069  -1.113   0.394
  812   2HB   HIS 103          1HB       HIS 103 -11.077  -2.355   1.640
  813    HD1  HIS 103           1HD      HIS 103 -10.849  -4.720   0.869
  814    HD2  HIS 103           2HD      HIS 103 -11.824  -2.133  -2.233
  815    HE1  HIS 103           1HE      HIS 103 -10.700  -6.099  -1.227
  816    HE2  HIS 103           2HE      HIS 103 -11.380  -4.536  -3.082
  817    H    SER 104           H        SER 104 -12.751  -2.690   3.364
  818    HA   SER 104           HA       SER 104 -13.743  -5.273   2.967
  819   1HB   SER 104          2HB       SER 104 -13.726  -3.701   5.554
  820   2HB   SER 104          1HB       SER 104 -13.802  -5.456   5.397
  821    HG   SER 104           HG       SER 104 -11.713  -5.413   5.352
  822    H    ALA 105           H        ALA 105 -15.360  -2.299   3.932
  823    HA   ALA 105           HA       ALA 105 -17.872  -3.584   4.470
  824   1HB   ALA 105          1HB       ALA 105 -17.406  -0.647   4.004
  825   2HB   ALA 105          2HB       ALA 105 -17.085  -1.450   5.541
  826   3HB   ALA 105          3HB       ALA 105 -18.725  -1.408   4.895
  827    H    PHE 106           H        PHE 106 -16.472  -1.740   1.800
  828    HA   PHE 106           HA       PHE 106 -18.814  -1.588   0.231
  829   1HB   PHE 106          2HB       PHE 106 -15.882  -1.295  -0.325
  830   2HB   PHE 106          1HB       PHE 106 -17.024  -1.341  -1.664
  831    HD1  PHE 106           1HD      PHE 106 -17.586   0.189   1.663
  832    HD2  PHE 106           2HD      PHE 106 -16.841   0.844  -2.475
  833    HE1  PHE 106           1HE      PHE 106 -18.036   2.588   1.966
  834    HE2  PHE 106           2HE      PHE 106 -17.290   3.246  -2.180
  835    HZ   PHE 106           HZ       PHE 106 -17.888   4.121   0.043
  836    H    LYS 107           H        LYS 107 -16.358  -4.042   0.624
  837    HA   LYS 107           HA       LYS 107 -16.995  -5.565  -1.681
  838   1HB   LYS 107          2HB       LYS 107 -14.876  -5.710  -0.297
  839   2HB   LYS 107          1HB       LYS 107 -15.806  -6.622   0.884
  840   1HG   LYS 107          2HG       LYS 107 -16.049  -7.649  -1.838
  841   2HG   LYS 107          1HG       LYS 107 -14.402  -7.683  -1.205
  842   1HD   LYS 107          2HD       LYS 107 -15.006  -9.054   0.602
  843   2HD   LYS 107          1HD       LYS 107 -16.725  -8.716   0.393
  844   1HE   LYS 107          2HE       LYS 107 -16.947 -10.196  -1.334
  845   2HE   LYS 107          1HE       LYS 107 -15.274 -10.005  -1.855
  846   1HZ   LYS 107          1HZ       LYS 107 -15.884 -12.197  -0.798
  847   2HZ   LYS 107          2HZ       LYS 107 -15.992 -11.367   0.672
  848   3HZ   LYS 107          3HZ       LYS 107 -14.521 -11.420  -0.163
  849    H    SER 108           H        SER 108 -18.064  -5.703   1.689
  850    HA   SER 108           HA       SER 108 -19.697  -8.017   1.317
  851   1HB   SER 108          2HB       SER 108 -19.089  -6.142   3.507
  852   2HB   SER 108          1HB       SER 108 -20.712  -6.827   3.557
  853    HG   SER 108           HG       SER 108 -19.782  -8.892   3.498
  854    H    MET 109           H        MET 109 -20.629  -4.662   2.100
  855    HA   MET 109           HA       MET 109 -23.288  -5.128   1.051
  856   1HB   MET 109          2HB       MET 109 -21.960  -3.062   2.688
  857   2HB   MET 109          1HB       MET 109 -23.230  -2.471   1.625
  858   1HG   MET 109          2HG       MET 109 -24.769  -3.156   3.047
  859   2HG   MET 109          1HG       MET 109 -24.180  -4.813   2.913
  860   1HE   MET 109          1HE       MET 109 -22.580  -5.821   5.695
  861   2HE   MET 109          2HE       MET 109 -21.240  -4.848   5.092
  862   3HE   MET 109          3HE       MET 109 -22.302  -5.680   3.959
  Start of MODEL    6
    1   1H    MET  -8          1HT       MET  -8  11.014 -17.725   0.459
    2   2H    MET  -8          2HT       MET  -8  11.879 -16.998  -0.833
    3   3H    MET  -8          3HT       MET  -8  12.300 -16.642   0.792
    4    HA   MET  -8           HA       MET  -8  13.896 -18.105   0.114
    5   1HB   MET  -8          2HB       MET  -8  11.674 -19.195   1.757
    6   2HB   MET  -8          1HB       MET  -8  12.903 -20.340   1.234
    7   1HG   MET  -8          2HG       MET  -8  13.663 -19.635   3.301
    8   2HG   MET  -8          1HG       MET  -8  14.589 -18.650   2.169
    9   1HE   MET  -8          1HE       MET  -8  11.944 -18.760   4.976
   10   2HE   MET  -8          2HE       MET  -8  12.296 -17.167   5.644
   11   3HE   MET  -8          3HE       MET  -8  13.590 -18.351   5.458
   12    H    GLY  -7           H        GLY  -7  14.317 -20.457  -0.617
   13   1HA   GLY  -7          2HA       GLY  -7  14.083 -22.146  -2.177
   14   2HA   GLY  -7          1HA       GLY  -7  12.439 -21.595  -2.468
   15    H    HIS  -6           H        HIS  -6  15.721 -20.270  -2.921
   16    HA   HIS  -6           HA       HIS  -6  16.712 -19.247  -4.694
   17   1HB   HIS  -6          2HB       HIS  -6  14.733 -20.940  -6.229
   18   2HB   HIS  -6          1HB       HIS  -6  16.060 -20.048  -6.967
   19    HD1  HIS  -6           1HD      HIS  -6  15.401 -23.322  -6.417
   20    HD2  HIS  -6           2HD      HIS  -6  18.525 -20.924  -5.088
   21    HE1  HIS  -6           1HE      HIS  -6  17.275 -24.904  -5.865
   22    HE2  HIS  -6           2HE      HIS  -6  19.182 -23.425  -5.138
   23    H    HIS  -5           H        HIS  -5  14.356 -18.033  -3.398
   24    HA   HIS  -5           HA       HIS  -5  13.012 -16.211  -3.613
   25   1HB   HIS  -5          2HB       HIS  -5  15.358 -15.692  -5.103
   26   2HB   HIS  -5          1HB       HIS  -5  14.011 -15.090  -6.065
   27    HD1  HIS  -5           1HD      HIS  -5  12.237 -13.613  -4.402
   28    HD2  HIS  -5           2HD      HIS  -5  16.273 -13.793  -3.430
   29    HE1  HIS  -5           1HE      HIS  -5  12.653 -11.644  -2.897
   30    HE2  HIS  -5           2HE      HIS  -5  15.119 -11.725  -2.388
   31    H    HIS  -4           H        HIS  -4  11.037 -17.087  -4.056
   32    HA   HIS  -4           HA       HIS  -4  10.064 -16.763  -6.759
   33   1HB   HIS  -4          2HB       HIS  -4   9.185 -19.036  -6.964
   34   2HB   HIS  -4          1HB       HIS  -4  10.938 -19.063  -6.801
   35    HD1  HIS  -4           1HD      HIS  -4   9.763 -21.644  -6.155
   36    HD2  HIS  -4           2HD      HIS  -4   9.921 -18.614  -3.314
   37    HE1  HIS  -4           1HE      HIS  -4   9.583 -22.799  -3.929
   38    HE2  HIS  -4           2HE      HIS  -4   9.779 -20.955  -2.224
   39    H    HIS  -3           H        HIS  -3   7.653 -17.333  -6.840
   40    HA   HIS  -3           HA       HIS  -3   5.544 -16.897  -6.113
   41   1HB   HIS  -3          2HB       HIS  -3   6.831 -18.049  -3.665
   42   2HB   HIS  -3          1HB       HIS  -3   5.202 -17.393  -3.561
   43    HD1  HIS  -3           1HD      HIS  -3   3.710 -18.424  -5.826
   44    HD2  HIS  -3           2HD      HIS  -3   6.684 -20.709  -4.038
   45    HE1  HIS  -3           1HE      HIS  -3   3.194 -20.805  -6.449
   46    HE2  HIS  -3           2HE      HIS  -3   4.967 -22.177  -5.299
   47    H    HIS  -2           H        HIS  -2   7.525 -14.767  -6.135
   48    HA   HIS  -2           HA       HIS  -2   6.217 -12.957  -4.222
   49   1HB   HIS  -2          2HB       HIS  -2   9.164 -13.029  -4.907
   50   2HB   HIS  -2          1HB       HIS  -2   8.386 -11.763  -3.962
   51    HD1  HIS  -2           1HD      HIS  -2  10.542 -14.288  -3.278
   52    HD2  HIS  -2           2HD      HIS  -2   6.736 -13.493  -1.811
   53    HE1  HIS  -2           1HE      HIS  -2  10.409 -15.485  -1.070
   54    HE2  HIS  -2           2HE      HIS  -2   8.125 -14.925  -0.164
   55    H    HIS  -1           H        HIS  -1   5.421 -11.152  -5.098
   56    HA   HIS  -1           HA       HIS  -1   6.569  -9.987  -7.478
   57   1HB   HIS  -1          2HB       HIS  -1   4.451 -11.846  -7.748
   58   2HB   HIS  -1          1HB       HIS  -1   3.759 -10.251  -8.032
   59    HD1  HIS  -1           1HD      HIS  -1   6.288 -12.656  -9.411
   60    HD2  HIS  -1           2HD      HIS  -1   4.543  -9.017 -10.398
   61    HE1  HIS  -1           1HE      HIS  -1   6.959 -12.213 -11.793
   62    HE2  HIS  -1           2HE      HIS  -1   5.962  -9.965 -12.340
   63    H    MET   0           H        MET   0   6.874  -8.231  -6.044
   64    HA   MET   0           HA       MET   0   6.358  -6.229  -5.094
   65   1HB   MET   0          2HB       MET   0   3.708  -6.397  -6.523
   66   2HB   MET   0          1HB       MET   0   4.594  -4.953  -6.052
   67   1HG   MET   0          2HG       MET   0   5.609  -4.898  -8.011
   68   2HG   MET   0          1HG       MET   0   6.252  -6.517  -7.753
   69   1HE   MET   0          1HE       MET   0   3.810  -4.476 -10.155
   70   2HE   MET   0          2HE       MET   0   3.119  -4.554  -8.533
   71   3HE   MET   0          3HE       MET   0   2.342  -5.412  -9.864
   72    H    GLY   1           H        GLY   1   6.116  -6.450  -2.951
   73   1HA   GLY   1          2HA       GLY   1   3.596  -7.586  -1.936
   74   2HA   GLY   1          1HA       GLY   1   5.103  -7.490  -1.035
   75    H    SER   2           H        SER   2   5.889  -4.999  -1.048
   76    HA   SER   2           HA       SER   2   3.851  -3.642   0.479
   77   1HB   SER   2          2HB       SER   2   5.601  -2.032   1.014
   78   2HB   SER   2          1HB       SER   2   6.222  -3.671   1.207
   79    HG   SER   2           HG       SER   2   7.590  -3.332  -0.360
   80    H    ALA   3           H        ALA   3   5.618  -3.089  -2.541
   81    HA   ALA   3           HA       ALA   3   4.297  -0.603  -3.086
   82   1HB   ALA   3          1HB       ALA   3   5.661  -2.184  -5.215
   83   2HB   ALA   3          2HB       ALA   3   6.617  -1.488  -3.907
   84   3HB   ALA   3          3HB       ALA   3   5.645  -0.442  -4.940
   85    H    GLY   4           H        GLY   4   3.705  -3.959  -3.802
   86   1HA   GLY   4          2HA       GLY   4   1.862  -3.485  -5.948
   87   2HA   GLY   4          1HA       GLY   4   2.104  -5.004  -5.096
   88    H    THR   5           H        THR   5   1.603  -3.636  -2.480
   89    HA   THR   5           HA       THR   5  -1.180  -4.157  -2.336
   90    HB   THR   5           HB       THR   5   0.607  -2.747  -0.344
   91    HG1  THR   5           1HG      THR   5   0.763  -4.815   0.585
   92   1HG2  THR   5          1HG2      THR   5  -2.081  -4.045   0.001
   93   2HG2  THR   5          2HG2      THR   5  -1.659  -2.355   0.280
   94   3HG2  THR   5          3HG2      THR   5  -1.005  -3.612   1.329
   95    H    GLN   6           H        GLN   6   0.678  -1.129  -2.060
   96    HA   GLN   6           HA       GLN   6  -1.555   0.567  -1.828
   97   1HB   GLN   6          2HB       GLN   6   1.328   0.932  -2.486
   98   2HB   GLN   6          1HB       GLN   6   0.229   2.258  -2.840
   99   1HG   GLN   6          2HG       GLN   6  -0.432   2.408  -0.546
  100   2HG   GLN   6          1HG       GLN   6   0.476   0.951  -0.143
  101   1HE2  GLN   6          1HE2      GLN   6   1.465   2.341   1.470
  102   2HE2  GLN   6          2HE2      GLN   6   2.801   3.338   1.017
  103    H    GLU   7           H        GLU   7   0.117  -0.758  -4.603
  104    HA   GLU   7           HA       GLU   7  -0.928   0.944  -6.579
  105   1HB   GLU   7          2HB       GLU   7   0.844  -1.145  -6.543
  106   2HB   GLU   7          1HB       GLU   7  -0.522  -1.850  -7.396
  107   1HG   GLU   7          2HG       GLU   7   0.620  -0.977  -9.151
  108   2HG   GLU   7          1HG       GLU   7  -0.406   0.401  -8.753
  109    H    GLU   8           H        GLU   8  -2.100  -2.182  -5.353
  110    HA   GLU   8           HA       GLU   8  -4.332  -2.343  -7.073
  111   1HB   GLU   8          2HB       GLU   8  -5.131  -4.102  -5.604
  112   2HB   GLU   8          1HB       GLU   8  -3.404  -4.284  -5.874
  113   1HG   GLU   8          2HG       GLU   8  -2.868  -3.762  -3.719
  114   2HG   GLU   8          1HG       GLU   8  -4.309  -2.777  -3.480
  115    H    LEU   9           H        LEU   9  -3.819  -0.767  -3.996
  116    HA   LEU   9           HA       LEU   9  -6.542  -0.341  -3.344
  117   1HB   LEU   9          2HB       LEU   9  -3.928   0.717  -2.431
  118   2HB   LEU   9          1HB       LEU   9  -5.336   1.703  -2.087
  119    HG   LEU   9           HG       LEU   9  -4.920  -1.159  -1.216
  120   1HD1  LEU   9          1HD1      LEU   9  -5.313   1.028   0.722
  121   2HD1  LEU   9          2HD1      LEU   9  -3.769   1.008  -0.129
  122   3HD1  LEU   9          3HD1      LEU   9  -4.277  -0.396   0.808
  123   1HD2  LEU   9          1HD2      LEU   9  -6.999  -0.474   0.207
  124   2HD2  LEU   9          2HD2      LEU   9  -7.206  -1.052  -1.446
  125   3HD2  LEU   9          3HD2      LEU   9  -7.270   0.677  -1.102
  126    H    LEU  10           H        LEU  10  -4.122   1.736  -4.918
  127    HA   LEU  10           HA       LEU  10  -5.791   3.958  -5.303
  128   1HB   LEU  10          2HB       LEU  10  -3.147   3.325  -5.820
  129   2HB   LEU  10          1HB       LEU  10  -3.822   3.568  -7.419
  130    HG   LEU  10           HG       LEU  10  -4.256   5.611  -5.267
  131   1HD1  LEU  10          1HD1      LEU  10  -1.755   5.010  -6.735
  132   2HD1  LEU  10          2HD1      LEU  10  -1.994   5.718  -5.138
  133   3HD1  LEU  10          3HD1      LEU  10  -2.222   6.704  -6.582
  134   1HD2  LEU  10          1HD2      LEU  10  -4.173   7.066  -7.378
  135   2HD2  LEU  10          2HD2      LEU  10  -5.588   6.042  -7.133
  136   3HD2  LEU  10          3HD2      LEU  10  -4.328   5.549  -8.263
  137    H    ARG  11           H        ARG  11  -5.305   1.045  -7.198
  138    HA   ARG  11           HA       ARG  11  -6.631   1.906  -9.541
  139   1HB   ARG  11          2HB       ARG  11  -6.072  -0.827  -8.400
  140   2HB   ARG  11          1HB       ARG  11  -6.904  -0.601  -9.933
  141   1HG   ARG  11          2HG       ARG  11  -4.708   0.966 -10.277
  142   2HG   ARG  11          1HG       ARG  11  -4.067  -0.332  -9.268
  143   1HD   ARG  11          2HD       ARG  11  -5.532  -1.739 -11.069
  144   2HD   ARG  11          1HD       ARG  11  -4.998  -0.381 -12.056
  145    HE   ARG  11           HE       ARG  11  -3.390  -2.532 -11.066
  146   1HH1  ARG  11          1HH1      ARG  11  -3.340   0.816 -12.050
  147   2HH1  ARG  11          2HH1      ARG  11  -1.659   0.800 -12.467
  148   1HH2  ARG  11          1HH2      ARG  11  -1.178  -2.556 -11.613
  149   2HH2  ARG  11          2HH2      ARG  11  -0.431  -1.115 -12.219
  150    H    TRP  12           H        TRP  12  -7.757   0.267  -6.620
  151    HA   TRP  12           HA       TRP  12 -10.396  -0.207  -7.527
  152   1HB   TRP  12          2HB       TRP  12  -9.314  -1.381  -5.608
  153   2HB   TRP  12          1HB       TRP  12  -9.454   0.104  -4.671
  154    HD1  TRP  12           HD       TRP  12 -11.765  -2.446  -6.456
  155    HE1  TRP  12           1HE      TRP  12 -13.990  -2.537  -5.164
  156    HE3  TRP  12           3HE      TRP  12 -10.852   1.215  -3.003
  157    HZ2  TRP  12           2HZ      TRP  12 -15.197  -1.231  -2.972
  158    HZ3  TRP  12           3HZ      TRP  12 -12.595   1.734  -1.346
  159    HH2  TRP  12           HH       TRP  12 -14.721   0.535  -1.332
  160    H    CYS  13           H        CYS  13  -8.952   2.402  -5.608
  161    HA   CYS  13           HA       CYS  13 -11.314   3.792  -5.035
  162   1HB   CYS  13          2HB       CYS  13  -8.418   4.468  -5.089
  163   2HB   CYS  13          1HB       CYS  13  -9.558   5.809  -5.073
  164    HG   CYS  13           HG       CYS  13 -10.377   4.083  -2.854
  165    H    GLN  14           H        GLN  14  -9.045   4.133  -7.745
  166    HA   GLN  14           HA       GLN  14 -10.387   6.295  -8.973
  167   1HB   GLN  14          2HB       GLN  14  -8.057   5.734  -9.478
  168   2HB   GLN  14          1HB       GLN  14  -8.568   4.213 -10.198
  169   1HG   GLN  14          2HG       GLN  14 -10.045   5.929 -11.645
  170   2HG   GLN  14          1HG       GLN  14  -8.657   6.950 -11.278
  171   1HE2  GLN  14          1HE2      GLN  14  -9.774   4.103 -12.916
  172   2HE2  GLN  14          2HE2      GLN  14  -8.355   3.844 -13.868
  173    H    GLU  15           H        GLU  15 -10.662   2.796  -9.333
  174    HA   GLU  15           HA       GLU  15 -12.393   2.834 -11.570
  175   1HB   GLU  15          2HB       GLU  15 -11.040   0.871 -10.513
  176   2HB   GLU  15          1HB       GLU  15 -12.465   0.659  -9.503
  177   1HG   GLU  15          2HG       GLU  15 -12.608  -0.823 -11.373
  178   2HG   GLU  15          1HG       GLU  15 -13.830   0.435 -11.550
  179    H    GLN  16           H        GLN  16 -12.998   2.642  -8.082
  180    HA   GLN  16           HA       GLN  16 -15.820   2.486  -8.306
  181   1HB   GLN  16          2HB       GLN  16 -13.855   2.855  -6.131
  182   2HB   GLN  16          1HB       GLN  16 -15.458   3.506  -5.820
  183   1HG   GLN  16          2HG       GLN  16 -15.407   0.785  -6.923
  184   2HG   GLN  16          1HG       GLN  16 -14.710   0.962  -5.313
  185   1HE2  GLN  16          1HE2      GLN  16 -16.323  -0.134  -4.264
  186   2HE2  GLN  16          2HE2      GLN  16 -17.931   0.479  -4.100
  187    H    THR  17           H        THR  17 -13.553   5.154  -8.090
  188    HA   THR  17           HA       THR  17 -15.703   7.096  -7.837
  189    HB   THR  17           HB       THR  17 -12.719   7.522  -8.067
  190    HG1  THR  17           1HG      THR  17 -12.780   7.733  -5.847
  191   1HG2  THR  17          1HG2      THR  17 -14.986   9.389  -7.549
  192   2HG2  THR  17          2HG2      THR  17 -13.573   9.595  -8.584
  193   3HG2  THR  17          3HG2      THR  17 -13.402   9.687  -6.831
  194    H    ALA  18           H        ALA  18 -14.718   5.369 -10.347
  195    HA   ALA  18           HA       ALA  18 -14.271   7.448 -12.292
  196   1HB   ALA  18          1HB       ALA  18 -14.625   5.385 -13.868
  197   2HB   ALA  18          2HB       ALA  18 -14.444   4.473 -12.369
  198   3HB   ALA  18          3HB       ALA  18 -13.151   5.542 -12.913
  199    H    GLY  19           H        GLY  19 -15.786   8.544 -13.359
  200   1HA   GLY  19          2HA       GLY  19 -17.913   7.994 -14.729
  201   2HA   GLY  19          1HA       GLY  19 -18.569   7.622 -13.142
  202    H    TYR  20           H        TYR  20 -17.109   9.786 -11.819
  203    HA   TYR  20           HA       TYR  20 -19.016  11.870 -12.299
  204   1HB   TYR  20          2HB       TYR  20 -16.580  11.912 -10.509
  205   2HB   TYR  20          1HB       TYR  20 -17.951  13.015 -10.440
  206    HD1  TYR  20           1HD      TYR  20 -19.948  12.421  -9.290
  207    HD2  TYR  20           2HD      TYR  20 -16.881   9.528  -9.855
  208    HE1  TYR  20           1HE      TYR  20 -21.075  10.924  -7.698
  209    HE2  TYR  20           2HE      TYR  20 -18.000   8.023  -8.266
  210    HH   TYR  20           HH       TYR  20 -20.915   8.042  -7.452
  211    HA   PRO  21           HA       PRO  21 -16.509  13.880 -15.436
  212   1HB   PRO  21          2HB       PRO  21 -18.417  16.100 -15.115
  213   2HB   PRO  21          1HB       PRO  21 -18.051  15.133 -16.547
  214   1HG   PRO  21          2HG       PRO  21 -20.376  14.877 -15.226
  215   2HG   PRO  21          1HG       PRO  21 -19.577  13.494 -15.994
  216   1HD   PRO  21          2HD       PRO  21 -19.641  14.285 -13.106
  217   2HD   PRO  21          1HD       PRO  21 -19.771  12.671 -13.838
  218    H    GLY  22           H        GLY  22 -14.626  14.751 -14.828
  219   1HA   GLY  22          2HA       GLY  22 -13.463  16.806 -14.297
  220   2HA   GLY  22          1HA       GLY  22 -14.710  17.142 -13.104
  221    H    VAL  23           H        VAL  23 -14.649  14.298 -12.197
  222    HA   VAL  23           HA       VAL  23 -12.598  14.647 -10.215
  223    HB   VAL  23           HB       VAL  23 -14.330  12.212 -10.646
  224   1HG1  VAL  23          1HG1      VAL  23 -12.388  11.921  -9.160
  225   2HG1  VAL  23          2HG1      VAL  23 -13.920  11.783  -8.296
  226   3HG1  VAL  23          3HG1      VAL  23 -12.965  13.260  -8.169
  227   1HG2  VAL  23          1HG2      VAL  23 -15.859  13.997 -10.442
  228   2HG2  VAL  23          2HG2      VAL  23 -14.899  14.779  -9.186
  229   3HG2  VAL  23          3HG2      VAL  23 -15.753  13.277  -8.836
  230    H    HIS  24           H        HIS  24 -10.572  14.030 -10.415
  231    HA   HIS  24           HA       HIS  24  -9.932  11.770 -12.195
  232   1HB   HIS  24          2HB       HIS  24  -9.190  14.251 -12.779
  233   2HB   HIS  24          1HB       HIS  24  -7.899  13.885 -11.639
  234    HD1  HIS  24           1HD      HIS  24  -8.258  10.738 -12.916
  235    HD2  HIS  24           2HD      HIS  24  -6.945  14.276 -14.655
  236    HE1  HIS  24           1HE      HIS  24  -6.870  10.040 -14.894
  237    HE2  HIS  24           2HE      HIS  24  -6.013  12.196 -15.876
  238    H    VAL  25           H        VAL  25 -10.036  10.309 -10.451
  239    HA   VAL  25           HA       VAL  25  -8.503  10.672  -8.071
  240    HB   VAL  25           HB       VAL  25  -9.586   8.074  -9.150
  241   1HG1  VAL  25          1HG1      VAL  25  -8.246   7.481  -7.378
  242   2HG1  VAL  25          2HG1      VAL  25  -9.787   7.749  -6.561
  243   3HG1  VAL  25          3HG1      VAL  25  -8.534   8.991  -6.515
  244   1HG2  VAL  25          1HG2      VAL  25 -10.948  10.403  -7.962
  245   2HG2  VAL  25          2HG2      VAL  25 -11.405   8.827  -7.314
  246   3HG2  VAL  25          3HG2      VAL  25 -11.568   9.152  -9.040
  247    H    SER  26           H        SER  26  -6.354  11.006  -8.568
  248    HA   SER  26           HA       SER  26  -4.860   8.618  -9.222
  249   1HB   SER  26          2HB       SER  26  -5.449  10.195 -11.341
  250   2HB   SER  26          1HB       SER  26  -3.956  10.958 -10.795
  251    HG   SER  26           HG       SER  26  -2.945   8.921 -10.946
  252    H    ASP  27           H        ASP  27  -5.283  10.694  -7.043
  253    HA   ASP  27           HA       ASP  27  -2.440  11.050  -6.443
  254   1HB   ASP  27          2HB       ASP  27  -4.493  13.225  -5.998
  255   2HB   ASP  27          1HB       ASP  27  -2.768  13.317  -5.661
  256    H    LEU  28           H        LEU  28  -1.906  10.661  -4.346
  257    HA   LEU  28           HA       LEU  28  -4.052   9.700  -2.618
  258   1HB   LEU  28          2HB       LEU  28  -1.050   9.452  -2.463
  259   2HB   LEU  28          1HB       LEU  28  -2.132   8.865  -1.214
  260    HG   LEU  28           HG       LEU  28  -2.656   7.910  -3.971
  261   1HD1  LEU  28          1HD1      LEU  28  -0.470   7.411  -4.256
  262   2HD1  LEU  28          2HD1      LEU  28  -0.895   6.038  -3.234
  263   3HD1  LEU  28          3HD1      LEU  28  -0.118   7.457  -2.529
  264   1HD2  LEU  28          1HD2      LEU  28  -2.849   6.875  -1.173
  265   2HD2  LEU  28          2HD2      LEU  28  -2.856   5.758  -2.538
  266   3HD2  LEU  28          3HD2      LEU  28  -4.100   7.001  -2.409
  267    H    SER  29           H        SER  29  -3.861  12.517  -2.993
  268    HA   SER  29           HA       SER  29  -3.811  13.340  -0.255
  269   1HB   SER  29          2HB       SER  29  -1.475  13.589  -0.484
  270   2HB   SER  29          1HB       SER  29  -1.619  14.235  -2.119
  271    HG   SER  29           HG       SER  29  -1.193  15.881  -0.597
  272    H    SER  30           H        SER  30  -3.236  15.048  -3.333
  273    HA   SER  30           HA       SER  30  -5.077  17.106  -2.772
  274   1HB   SER  30          2HB       SER  30  -4.537  16.508  -5.620
  275   2HB   SER  30          1HB       SER  30  -4.375  18.023  -4.732
  276    HG   SER  30           HG       SER  30  -2.479  16.247  -5.372
  277    H    SER  31           H        SER  31  -5.404  14.019  -4.393
  278    HA   SER  31           HA       SER  31  -7.816  14.383  -5.717
  279   1HB   SER  31          2HB       SER  31  -6.241  12.349  -5.743
  280   2HB   SER  31          1HB       SER  31  -7.122  11.808  -4.315
  281    HG   SER  31           HG       SER  31  -8.405  12.509  -6.739
  282    H    TRP  32           H        TRP  32  -7.188  14.110  -2.327
  283    HA   TRP  32           HA       TRP  32 -10.065  13.824  -1.783
  284   1HB   TRP  32          2HB       TRP  32  -7.862  13.558   0.257
  285   2HB   TRP  32          1HB       TRP  32  -9.521  12.975   0.360
  286    HD1  TRP  32           HD       TRP  32  -6.452  12.295  -1.937
  287    HE1  TRP  32           1HE      TRP  32  -6.379   9.768  -2.417
  288    HE3  TRP  32           3HE      TRP  32 -10.643  10.858   0.617
  289    HZ2  TRP  32           2HZ      TRP  32  -7.895   7.469  -1.796
  290    HZ3  TRP  32           3HZ      TRP  32 -11.263   8.478   0.623
  291    HH2  TRP  32           HH       TRP  32  -9.916   6.819  -0.559
  292    H    ALA  33           H        ALA  33  -8.113  16.268  -2.348
  293    HA   ALA  33           HA       ALA  33  -8.075  17.937  -0.137
  294   1HB   ALA  33          1HB       ALA  33  -6.894  18.395  -2.243
  295   2HB   ALA  33          2HB       ALA  33  -7.841  19.778  -1.694
  296   3HB   ALA  33          3HB       ALA  33  -8.436  18.770  -3.011
  297    H    ASP  34           H        ASP  34 -10.484  18.041  -2.779
  298    HA   ASP  34           HA       ASP  34 -12.267  19.616  -1.134
  299   1HB   ASP  34          2HB       ASP  34 -13.768  19.496  -3.152
  300   2HB   ASP  34          1HB       ASP  34 -12.186  20.210  -3.449
  301    H    GLY  35           H        GLY  35 -11.575  16.440  -1.088
  302   1HA   GLY  35          2HA       GLY  35 -12.660  14.668  -0.107
  303   2HA   GLY  35          1HA       GLY  35 -13.988  15.756   0.264
  304    H    LEU  36           H        LEU  36 -12.810  15.252  -2.992
  305    HA   LEU  36           HA       LEU  36 -15.420  14.496  -3.885
  306   1HB   LEU  36          2HB       LEU  36 -12.885  15.264  -5.080
  307   2HB   LEU  36          1HB       LEU  36 -13.647  13.951  -5.958
  308    HG   LEU  36           HG       LEU  36 -14.229  16.161  -6.872
  309   1HD1  LEU  36          1HD1      LEU  36 -15.769  14.182  -6.980
  310   2HD1  LEU  36          2HD1      LEU  36 -16.551  15.756  -7.136
  311   3HD1  LEU  36          3HD1      LEU  36 -16.638  14.875  -5.611
  312   1HD2  LEU  36          1HD2      LEU  36 -16.128  17.082  -5.018
  313   2HD2  LEU  36          2HD2      LEU  36 -14.615  17.855  -5.490
  314   3HD2  LEU  36          3HD2      LEU  36 -14.654  16.768  -4.101
  315    H    ALA  37           H        ALA  37 -12.411  12.811  -3.224
  316    HA   ALA  37           HA       ALA  37 -13.139  10.343  -4.418
  317   1HB   ALA  37          1HB       ALA  37 -10.894  10.362  -4.125
  318   2HB   ALA  37          2HB       ALA  37 -11.323   9.570  -2.609
  319   3HB   ALA  37          3HB       ALA  37 -10.985  11.300  -2.635
  320    H    LEU  38           H        LEU  38 -13.255  11.512  -1.061
  321    HA   LEU  38           HA       LEU  38 -14.283   9.134   0.049
  322   1HB   LEU  38          2HB       LEU  38 -13.335  11.451   1.071
  323   2HB   LEU  38          1HB       LEU  38 -15.055  11.686   1.318
  324    HG   LEU  38           HG       LEU  38 -13.417   9.376   2.366
  325   1HD1  LEU  38          1HD1      LEU  38 -12.856  10.990   3.847
  326   2HD1  LEU  38          2HD1      LEU  38 -14.422  10.564   4.538
  327   3HD1  LEU  38          3HD1      LEU  38 -14.277  11.972   3.486
  328   1HD2  LEU  38          1HD2      LEU  38 -15.616   9.049   3.696
  329   2HD2  LEU  38          2HD2      LEU  38 -15.511   8.445   2.042
  330   3HD2  LEU  38          3HD2      LEU  38 -16.351   9.960   2.376
  331    H    CYS  39           H        CYS  39 -15.892  12.096  -1.077
  332    HA   CYS  39           HA       CYS  39 -18.512  11.214  -0.424
  333   1HB   CYS  39          2HB       CYS  39 -17.609  13.322  -2.398
  334   2HB   CYS  39          1HB       CYS  39 -19.264  13.094  -1.842
  335    HG   CYS  39           HG       CYS  39 -18.740  14.255   0.276
  336    H    ALA  40           H        ALA  40 -16.474  10.925  -3.260
  337    HA   ALA  40           HA       ALA  40 -18.399  10.126  -5.127
  338   1HB   ALA  40          1HB       ALA  40 -16.288   8.805  -6.046
  339   2HB   ALA  40          2HB       ALA  40 -15.458   9.831  -4.876
  340   3HB   ALA  40          3HB       ALA  40 -16.420  10.560  -6.163
  341    H    LEU  41           H        LEU  41 -16.538   8.261  -2.769
  342    HA   LEU  41           HA       LEU  41 -17.476   5.717  -3.629
  343   1HB   LEU  41          2HB       LEU  41 -16.278   6.611  -1.006
  344   2HB   LEU  41          1HB       LEU  41 -16.603   4.939  -1.421
  345    HG   LEU  41           HG       LEU  41 -14.839   6.601  -3.181
  346   1HD1  LEU  41          1HD1      LEU  41 -13.586   4.938  -1.075
  347   2HD1  LEU  41          2HD1      LEU  41 -14.231   6.506  -0.591
  348   3HD1  LEU  41          3HD1      LEU  41 -13.007   6.410  -1.858
  349   1HD2  LEU  41          1HD2      LEU  41 -15.814   4.116  -3.487
  350   2HD2  LEU  41          2HD2      LEU  41 -14.335   3.754  -2.598
  351   3HD2  LEU  41          3HD2      LEU  41 -14.254   4.635  -4.123
  352    H    VAL  42           H        VAL  42 -18.344   7.791  -0.864
  353    HA   VAL  42           HA       VAL  42 -20.378   6.175   0.167
  354    HB   VAL  42           HB       VAL  42 -20.298   9.194   0.258
  355   1HG1  VAL  42          1HG1      VAL  42 -21.734   7.094   1.841
  356   2HG1  VAL  42          2HG1      VAL  42 -22.374   8.556   1.090
  357   3HG1  VAL  42          3HG1      VAL  42 -21.377   8.673   2.541
  358   1HG2  VAL  42          1HG2      VAL  42 -18.615   9.142   1.732
  359   2HG2  VAL  42          2HG2      VAL  42 -18.302   7.518   1.118
  360   3HG2  VAL  42          3HG2      VAL  42 -19.274   7.739   2.574
  361    H    TYR  43           H        TYR  43 -20.500   8.767  -2.244
  362    HA   TYR  43           HA       TYR  43 -23.279   8.855  -2.576
  363   1HB   TYR  43          2HB       TYR  43 -21.670  10.541  -3.461
  364   2HB   TYR  43          1HB       TYR  43 -21.178   9.379  -4.688
  365    HD1  TYR  43           1HD      TYR  43 -24.119  11.272  -3.426
  366    HD2  TYR  43           2HD      TYR  43 -22.356   9.214  -6.707
  367    HE1  TYR  43           1HE      TYR  43 -25.935  12.057  -4.885
  368    HE2  TYR  43           2HE      TYR  43 -24.169   9.996  -8.176
  369    HH   TYR  43           HH       TYR  43 -27.024  11.267  -7.057
  370    H    ARG  44           H        ARG  44 -20.824   6.801  -4.044
  371    HA   ARG  44           HA       ARG  44 -22.443   5.620  -6.019
  372   1HB   ARG  44          2HB       ARG  44 -19.795   5.256  -4.951
  373   2HB   ARG  44          1HB       ARG  44 -20.565   3.690  -5.167
  374   1HG   ARG  44          2HG       ARG  44 -20.481   5.771  -7.332
  375   2HG   ARG  44          1HG       ARG  44 -19.218   4.559  -7.114
  376   1HD   ARG  44          2HD       ARG  44 -20.432   3.139  -8.314
  377   2HD   ARG  44          1HD       ARG  44 -21.663   3.173  -7.052
  378    HE   ARG  44           HE       ARG  44 -21.849   5.369  -8.895
  379   1HH1  ARG  44          1HH1      ARG  44 -22.755   2.050  -8.309
  380   2HH1  ARG  44          2HH1      ARG  44 -24.140   2.113  -9.345
  381   1HH2  ARG  44          1HH2      ARG  44 -23.670   5.455 -10.259
  382   2HH2  ARG  44          2HH2      ARG  44 -24.660   4.047 -10.453
  383    H    LEU  45           H        LEU  45 -21.821   4.751  -2.648
  384    HA   LEU  45           HA       LEU  45 -23.428   2.366  -2.784
  385   1HB   LEU  45          2HB       LEU  45 -21.981   3.833  -0.616
  386   2HB   LEU  45          1HB       LEU  45 -23.168   2.616  -0.189
  387    HG   LEU  45           HG       LEU  45 -20.850   1.750  -0.212
  388   1HD1  LEU  45          1HD1      LEU  45 -22.436   0.473  -2.422
  389   2HD1  LEU  45          2HD1      LEU  45 -22.914   0.363  -0.727
  390   3HD1  LEU  45          3HD1      LEU  45 -21.363  -0.294  -1.250
  391   1HD2  LEU  45          1HD2      LEU  45 -19.661   1.473  -2.289
  392   2HD2  LEU  45          2HD2      LEU  45 -20.041   3.180  -2.063
  393   3HD2  LEU  45          3HD2      LEU  45 -20.988   2.208  -3.189
  394    H    GLN  46           H        GLN  46 -23.779   5.599  -1.364
  395    HA   GLN  46           HA       GLN  46 -26.690   5.216  -1.402
  396   1HB   GLN  46          2HB       GLN  46 -25.038   5.513   0.937
  397   2HB   GLN  46          1HB       GLN  46 -26.120   6.892   0.798
  398   1HG   GLN  46          2HG       GLN  46 -27.576   5.588   1.869
  399   2HG   GLN  46          1HG       GLN  46 -27.820   4.840   0.292
  400   1HE2  GLN  46          1HE2      GLN  46 -26.429   4.506   3.444
  401   2HE2  GLN  46          2HE2      GLN  46 -26.020   2.831   3.316
  402    HA   PRO  47           HA       PRO  47 -25.455   9.135  -3.535
  403   1HB   PRO  47          2HB       PRO  47 -27.303   8.914  -5.517
  404   2HB   PRO  47          1HB       PRO  47 -25.707   8.157  -5.596
  405   1HG   PRO  47          2HG       PRO  47 -28.341   6.948  -4.844
  406   2HG   PRO  47          1HG       PRO  47 -27.060   6.286  -5.877
  407   1HD   PRO  47          2HD       PRO  47 -27.379   5.526  -3.304
  408   2HD   PRO  47          1HD       PRO  47 -25.784   5.611  -4.077
  409    H    GLY  48           H        GLY  48 -28.575   7.832  -2.584
  410   1HA   GLY  48          2HA       GLY  48 -30.009  10.287  -2.785
  411   2HA   GLY  48          1HA       GLY  48 -30.527   8.852  -1.911
  412    H    LEU  49           H        LEU  49 -28.136   8.767  -0.241
  413    HA   LEU  49           HA       LEU  49 -28.935  10.850   1.652
  414   1HB   LEU  49          2HB       LEU  49 -27.418   8.268   1.950
  415   2HB   LEU  49          1HB       LEU  49 -27.500   9.455   3.238
  416    HG   LEU  49           HG       LEU  49 -29.130   7.583   3.461
  417   1HD1  LEU  49          1HD1      LEU  49 -29.834  10.453   3.427
  418   2HD1  LEU  49          2HD1      LEU  49 -29.859   9.291   4.753
  419   3HD1  LEU  49          3HD1      LEU  49 -31.167   9.307   3.569
  420   1HD2  LEU  49          1HD2      LEU  49 -29.553   7.532   0.936
  421   2HD2  LEU  49          2HD2      LEU  49 -30.666   8.868   1.228
  422   3HD2  LEU  49          3HD2      LEU  49 -30.936   7.308   2.005
  423    H    LEU  50           H        LEU  50 -27.139  11.300  -0.703
  424    HA   LEU  50           HA       LEU  50 -25.051  12.696   0.764
  425   1HB   LEU  50          2HB       LEU  50 -24.567  10.271  -0.666
  426   2HB   LEU  50          1HB       LEU  50 -23.777  11.583  -1.519
  427    HG   LEU  50           HG       LEU  50 -22.252  10.523   0.054
  428   1HD1  LEU  50          1HD1      LEU  50 -22.989  13.232   1.131
  429   2HD1  LEU  50          2HD1      LEU  50 -22.181  12.999  -0.420
  430   3HD1  LEU  50          3HD1      LEU  50 -21.396  12.477   1.071
  431   1HD2  LEU  50          1HD2      LEU  50 -24.208   9.934   1.640
  432   2HD2  LEU  50          2HD2      LEU  50 -23.904  11.524   2.339
  433   3HD2  LEU  50          3HD2      LEU  50 -22.628  10.306   2.330
  434    H    GLU  51           H        GLU  51 -23.782  14.151  -0.722
  435    HA   GLU  51           HA       GLU  51 -25.059  14.873  -3.214
  436   1HB   GLU  51          2HB       GLU  51 -25.421  16.431  -0.716
  437   2HB   GLU  51          1HB       GLU  51 -25.058  17.356  -2.166
  438   1HG   GLU  51          2HG       GLU  51 -27.284  15.344  -2.013
  439   2HG   GLU  51          1HG       GLU  51 -27.490  17.053  -1.634
  440    HA   PRO  52           HA       PRO  52 -20.356  15.377  -2.684
  441   1HB   PRO  52          2HB       PRO  52 -19.991  14.300  -5.244
  442   2HB   PRO  52          1HB       PRO  52 -19.762  13.447  -3.717
  443   1HG   PRO  52          2HG       PRO  52 -22.112  13.451  -5.555
  444   2HG   PRO  52          1HG       PRO  52 -21.433  12.120  -4.599
  445   1HD   PRO  52          2HD       PRO  52 -23.668  13.362  -3.829
  446   2HD   PRO  52          1HD       PRO  52 -22.455  12.848  -2.635
  447    H    SER  53           H        SER  53 -22.617  15.975  -5.334
  448    HA   SER  53           HA       SER  53 -21.100  17.701  -6.880
  449   1HB   SER  53          2HB       SER  53 -23.578  16.758  -7.128
  450   2HB   SER  53          1HB       SER  53 -23.982  18.351  -6.492
  451    HG   SER  53           HG       SER  53 -23.834  18.228  -8.822
  452    H    GLU  54           H        GLU  54 -23.208  18.476  -4.141
  453    HA   GLU  54           HA       GLU  54 -22.625  21.265  -4.194
  454   1HB   GLU  54          2HB       GLU  54 -23.767  19.562  -1.972
  455   2HB   GLU  54          1HB       GLU  54 -23.765  21.320  -2.009
  456   1HG   GLU  54          2HG       GLU  54 -25.009  20.938  -4.295
  457   2HG   GLU  54          1HG       GLU  54 -25.407  19.389  -3.553
  458    H    LEU  55           H        LEU  55 -21.576  18.606  -2.076
  459    HA   LEU  55           HA       LEU  55 -19.838  20.150  -0.488
  460   1HB   LEU  55          2HB       LEU  55 -19.632  17.203  -1.076
  461   2HB   LEU  55          1HB       LEU  55 -18.955  18.047   0.303
  462    HG   LEU  55           HG       LEU  55 -21.881  17.584  -0.270
  463   1HD1  LEU  55          1HD1      LEU  55 -21.271  15.627   0.690
  464   2HD1  LEU  55          2HD1      LEU  55 -21.458  16.574   2.165
  465   3HD1  LEU  55          3HD1      LEU  55 -19.855  16.325   1.476
  466   1HD2  LEU  55          1HD2      LEU  55 -20.491  19.362   1.687
  467   2HD2  LEU  55          2HD2      LEU  55 -22.013  18.590   2.130
  468   3HD2  LEU  55          3HD2      LEU  55 -21.943  19.660   0.730
  469    H    GLN  56           H        GLN  56 -19.519  19.106  -3.699
  470    HA   GLN  56           HA       GLN  56 -16.758  18.642  -3.859
  471   1HB   GLN  56          2HB       GLN  56 -18.301  18.003  -5.635
  472   2HB   GLN  56          1HB       GLN  56 -18.664  19.694  -5.950
  473   1HG   GLN  56          2HG       GLN  56 -15.903  19.531  -6.159
  474   2HG   GLN  56          1HG       GLN  56 -16.492  18.051  -6.916
  475   1HE2  GLN  56          1HE2      GLN  56 -17.358  18.153  -8.897
  476   2HE2  GLN  56          2HE2      GLN  56 -17.628  19.610  -9.784
  477    H    GLY  57           H        GLY  57 -18.635  21.621  -4.128
  478   1HA   GLY  57          2HA       GLY  57 -16.087  23.100  -4.307
  479   2HA   GLY  57          1HA       GLY  57 -17.620  23.691  -4.932
  480    H    LEU  58           H        LEU  58 -18.572  22.378  -2.155
  481    HA   LEU  58           HA       LEU  58 -18.986  24.807  -0.838
  482   1HB   LEU  58          2HB       LEU  58 -19.410  21.976  -0.276
  483   2HB   LEU  58          1HB       LEU  58 -19.068  22.907   1.169
  484    HG   LEU  58           HG       LEU  58 -20.986  24.355  -0.354
  485   1HD1  LEU  58          1HD1      LEU  58 -22.735  22.346   0.115
  486   2HD1  LEU  58          2HD1      LEU  58 -21.326  21.439  -0.435
  487   3HD1  LEU  58          3HD1      LEU  58 -22.020  22.697  -1.460
  488   1HD2  LEU  58          1HD2      LEU  58 -21.150  24.746   1.874
  489   2HD2  LEU  58          2HD2      LEU  58 -20.746  23.087   2.310
  490   3HD2  LEU  58          3HD2      LEU  58 -22.371  23.481   1.750
  491    H    GLY  59           H        GLY  59 -16.339  22.523  -0.686
  492   1HA   GLY  59          2HA       GLY  59 -14.272  23.962   0.011
  493   2HA   GLY  59          1HA       GLY  59 -15.133  24.006   1.542
  494    H    ALA  60           H        ALA  60 -12.523  22.925   1.091
  495    HA   ALA  60           HA       ALA  60 -12.541  20.120   0.853
  496   1HB   ALA  60          1HB       ALA  60 -10.440  20.984   0.556
  497   2HB   ALA  60          2HB       ALA  60 -10.321  20.426   2.225
  498   3HB   ALA  60          3HB       ALA  60 -10.604  22.133   1.885
  499    H    LEU  61           H        LEU  61 -12.150  22.098   3.799
  500    HA   LEU  61           HA       LEU  61 -12.391  19.973   5.607
  501   1HB   LEU  61          2HB       LEU  61 -12.562  22.930   5.764
  502   2HB   LEU  61          1HB       LEU  61 -13.248  22.028   7.102
  503    HG   LEU  61           HG       LEU  61 -10.899  22.742   7.478
  504   1HD1  LEU  61          1HD1      LEU  61 -11.741  19.886   7.515
  505   2HD1  LEU  61          2HD1      LEU  61 -11.444  20.992   8.855
  506   3HD1  LEU  61          3HD1      LEU  61 -10.088  20.302   7.964
  507   1HD2  LEU  61          1HD2      LEU  61 -10.315  22.331   5.003
  508   2HD2  LEU  61          2HD2      LEU  61 -10.079  20.654   5.492
  509   3HD2  LEU  61          3HD2      LEU  61  -9.110  21.932   6.227
  510    H    GLU  62           H        GLU  62 -14.815  22.076   4.153
  511    HA   GLU  62           HA       GLU  62 -16.982  21.217   5.769
  512   1HB   GLU  62          2HB       GLU  62 -16.599  22.901   3.403
  513   2HB   GLU  62          1HB       GLU  62 -18.132  22.041   3.406
  514   1HG   GLU  62          2HG       GLU  62 -18.777  23.894   4.523
  515   2HG   GLU  62          1HG       GLU  62 -18.204  22.947   5.894
  516    H    ALA  63           H        ALA  63 -15.874  20.266   2.528
  517    HA   ALA  63           HA       ALA  63 -17.917  18.387   2.038
  518   1HB   ALA  63          1HB       ALA  63 -16.262  19.428   0.388
  519   2HB   ALA  63          2HB       ALA  63 -16.690  17.732   0.158
  520   3HB   ALA  63          3HB       ALA  63 -15.149  18.161   0.903
  521    H    THR  64           H        THR  64 -14.667  18.036   3.412
  522    HA   THR  64           HA       THR  64 -14.763  15.219   3.670
  523    HB   THR  64           HB       THR  64 -13.133  17.113   5.364
  524    HG1  THR  64           1HG      THR  64 -12.512  17.732   3.416
  525   1HG2  THR  64          1HG2      THR  64 -13.020  14.225   4.799
  526   2HG2  THR  64          2HG2      THR  64 -12.513  15.131   6.225
  527   3HG2  THR  64          3HG2      THR  64 -11.485  15.093   4.792
  528    H    ALA  65           H        ALA  65 -15.320  17.834   6.019
  529    HA   ALA  65           HA       ALA  65 -15.897  16.213   8.223
  530   1HB   ALA  65          1HB       ALA  65 -15.465  18.478   8.658
  531   2HB   ALA  65          2HB       ALA  65 -17.174  18.263   9.035
  532   3HB   ALA  65          3HB       ALA  65 -16.696  19.020   7.516
  533    H    TRP  66           H        TRP  66 -18.047  17.561   5.742
  534    HA   TRP  66           HA       TRP  66 -20.451  16.616   6.897
  535   1HB   TRP  66          2HB       TRP  66 -19.943  18.349   4.927
  536   2HB   TRP  66          1HB       TRP  66 -20.271  16.926   3.943
  537    HD1  TRP  66           HD       TRP  66 -21.977  19.578   6.000
  538    HE1  TRP  66           1HE      TRP  66 -24.527  19.244   5.891
  539    HE3  TRP  66           3HE      TRP  66 -22.101  14.981   3.765
  540    HZ2  TRP  66           2HZ      TRP  66 -26.350  17.291   4.977
  541    HZ3  TRP  66           3HZ      TRP  66 -24.288  13.951   3.307
  542    HH2  TRP  66           HH       TRP  66 -26.368  15.083   3.902
  543    H    ALA  67           H        ALA  67 -18.442  15.339   4.250
  544    HA   ALA  67           HA       ALA  67 -20.003  13.054   3.751
  545   1HB   ALA  67          1HB       ALA  67 -17.091  12.858   3.293
  546   2HB   ALA  67          2HB       ALA  67 -17.931  14.183   2.489
  547   3HB   ALA  67          3HB       ALA  67 -18.439  12.518   2.207
  548    H    LEU  68           H        LEU  68 -17.249  13.591   5.907
  549    HA   LEU  68           HA       LEU  68 -16.904  10.904   6.685
  550   1HB   LEU  68          2HB       LEU  68 -16.065  13.551   7.745
  551   2HB   LEU  68          1HB       LEU  68 -15.961  12.175   8.828
  552    HG   LEU  68           HG       LEU  68 -14.722  12.042   6.102
  553   1HD1  LEU  68          1HD1      LEU  68 -13.362  13.129   8.561
  554   2HD1  LEU  68          2HD1      LEU  68 -13.926  14.114   7.209
  555   3HD1  LEU  68          3HD1      LEU  68 -12.657  12.914   6.959
  556   1HD2  LEU  68          1HD2      LEU  68 -13.151  10.549   7.395
  557   2HD2  LEU  68          2HD2      LEU  68 -14.803   9.960   7.224
  558   3HD2  LEU  68          3HD2      LEU  68 -14.277  10.678   8.746
  559    H    LYS  69           H        LYS  69 -18.834  13.536   8.063
  560    HA   LYS  69           HA       LYS  69 -19.703  12.065  10.332
  561   1HB   LYS  69          2HB       LYS  69 -19.924  14.700   9.424
  562   2HB   LYS  69          1HB       LYS  69 -21.579  14.114   9.504
  563   1HG   LYS  69          2HG       LYS  69 -20.666  13.231  11.870
  564   2HG   LYS  69          1HG       LYS  69 -19.653  14.661  11.662
  565   1HD   LYS  69          2HD       LYS  69 -22.513  15.025  11.051
  566   2HD   LYS  69          1HD       LYS  69 -22.131  14.702  12.743
  567   1HE   LYS  69          2HE       LYS  69 -20.376  16.535  12.528
  568   2HE   LYS  69          1HE       LYS  69 -21.159  16.953  11.005
  569   1HZ   LYS  69          1HZ       LYS  69 -22.694  16.763  13.523
  570   2HZ   LYS  69          2HZ       LYS  69 -23.110  17.564  12.092
  571   3HZ   LYS  69          3HZ       LYS  69 -21.891  18.188  13.086
  572    H    VAL  70           H        VAL  70 -21.258  12.806   7.214
  573    HA   VAL  70           HA       VAL  70 -23.630  11.353   7.779
  574    HB   VAL  70           HB       VAL  70 -23.528  13.114   6.052
  575   1HG1  VAL  70          1HG1      VAL  70 -22.368  12.923   4.052
  576   2HG1  VAL  70          2HG1      VAL  70 -22.186  11.175   4.207
  577   3HG1  VAL  70          3HG1      VAL  70 -21.233  12.255   5.224
  578   1HG2  VAL  70          1HG2      VAL  70 -24.482  10.364   5.386
  579   2HG2  VAL  70          2HG2      VAL  70 -24.641  11.655   4.195
  580   3HG2  VAL  70          3HG2      VAL  70 -25.410  11.813   5.774
  581    H    ALA  71           H        ALA  71 -20.657  10.530   6.024
  582    HA   ALA  71           HA       ALA  71 -21.403   8.035   5.047
  583   1HB   ALA  71          1HB       ALA  71 -19.361   8.944   4.282
  584   2HB   ALA  71          2HB       ALA  71 -18.926   7.504   5.204
  585   3HB   ALA  71          3HB       ALA  71 -18.730   9.104   5.920
  586    H    GLU  72           H        GLU  72 -20.033   8.936   8.176
  587    HA   GLU  72           HA       GLU  72 -19.920   6.289   9.205
  588   1HB   GLU  72          2HB       GLU  72 -18.533   8.081  10.124
  589   2HB   GLU  72          1HB       GLU  72 -19.970   8.955  10.633
  590   1HG   GLU  72          2HG       GLU  72 -20.441   6.707  11.939
  591   2HG   GLU  72          1HG       GLU  72 -18.690   6.554  11.811
  592    H    ASN  73           H        ASN  73 -22.303   8.875   9.283
  593    HA   ASN  73           HA       ASN  73 -24.034   7.626  11.158
  594   1HB   ASN  73          2HB       ASN  73 -24.211   9.949   9.305
  595   2HB   ASN  73          1HB       ASN  73 -25.716   9.281   9.931
  596   1HD2  ASN  73          1HD2      ASN  73 -26.215  11.031  11.187
  597   2HD2  ASN  73          2HD2      ASN  73 -25.323  11.465  12.602
  598    H    GLU  74           H        GLU  74 -23.926   7.712   7.625
  599    HA   GLU  74           HA       GLU  74 -26.331   6.159   7.354
  600   1HB   GLU  74          2HB       GLU  74 -24.866   7.854   5.701
  601   2HB   GLU  74          1HB       GLU  74 -24.672   6.264   4.975
  602   1HG   GLU  74          2HG       GLU  74 -26.578   7.526   4.067
  603   2HG   GLU  74          1HG       GLU  74 -27.046   5.991   4.796
  604    H    LEU  75           H        LEU  75 -22.856   5.544   6.975
  605    HA   LEU  75           HA       LEU  75 -23.408   2.741   6.387
  606   1HB   LEU  75          2HB       LEU  75 -21.409   4.559   5.610
  607   2HB   LEU  75          1HB       LEU  75 -20.606   3.351   6.592
  608    HG   LEU  75           HG       LEU  75 -20.514   2.753   4.234
  609   1HD1  LEU  75          1HD1      LEU  75 -21.056   1.083   6.244
  610   2HD1  LEU  75          2HD1      LEU  75 -20.869   0.544   4.576
  611   3HD1  LEU  75          3HD1      LEU  75 -22.481   0.790   5.246
  612   1HD2  LEU  75          1HD2      LEU  75 -22.283   3.578   3.080
  613   2HD2  LEU  75          2HD2      LEU  75 -23.418   3.299   4.400
  614   3HD2  LEU  75          3HD2      LEU  75 -22.914   1.959   3.373
  615    H    GLY  76           H        GLY  76 -21.777   4.699   8.854
  616   1HA   GLY  76          2HA       GLY  76 -21.861   4.022  11.166
  617   2HA   GLY  76          1HA       GLY  76 -21.909   2.352  10.629
  618    H    ILE  77           H        ILE  77 -19.676   4.347   8.972
  619    HA   ILE  77           HA       ILE  77 -17.470   2.949  10.282
  620    HB   ILE  77           HB       ILE  77 -17.359   4.712   7.833
  621   1HG1  ILE  77          2HG1      ILE  77 -17.176   1.762   7.587
  622   2HG1  ILE  77          1HG1      ILE  77 -18.775   2.418   7.927
  623   1HG2  ILE  77          1HG2      ILE  77 -15.177   4.180   7.640
  624   2HG2  ILE  77          2HG2      ILE  77 -15.411   2.546   8.259
  625   3HG2  ILE  77          3HG2      ILE  77 -15.303   3.904   9.378
  626   1HD1  ILE  77          1HD1      ILE  77 -17.212   2.466   5.476
  627   2HD1  ILE  77          2HD1      ILE  77 -17.886   4.037   5.910
  628   3HD1  ILE  77          3HD1      ILE  77 -18.949   2.642   5.722
  629    H    THR  78           H        THR  78 -16.580   3.932  11.976
  630    HA   THR  78           HA       THR  78 -16.805   6.745  12.429
  631    HB   THR  78           HB       THR  78 -16.789   5.279  14.331
  632    HG1  THR  78           1HG      THR  78 -15.629   6.612  15.450
  633   1HG2  THR  78          1HG2      THR  78 -15.497   3.505  14.572
  634   2HG2  THR  78          2HG2      THR  78 -14.036   4.477  14.396
  635   3HG2  THR  78          3HG2      THR  78 -14.841   3.827  12.968
  636    HA   PRO  79           HA       PRO  79 -13.328   8.178  10.066
  637   1HB   PRO  79          2HB       PRO  79 -13.103  10.191  12.245
  638   2HB   PRO  79          1HB       PRO  79 -13.217  10.431  10.498
  639   1HG   PRO  79          2HG       PRO  79 -15.306  10.918  12.074
  640   2HG   PRO  79          1HG       PRO  79 -15.521  10.175  10.478
  641   1HD   PRO  79          2HD       PRO  79 -15.605   8.915  13.187
  642   2HD   PRO  79          1HD       PRO  79 -16.584   8.566  11.746
  643    H    VAL  80           H        VAL  80 -11.110   8.041  10.118
  644    HA   VAL  80           HA       VAL  80  -9.922   7.155  12.667
  645    HB   VAL  80           HB       VAL  80  -8.986   6.349   9.914
  646   1HG1  VAL  80          1HG1      VAL  80  -7.885   4.521  11.331
  647   2HG1  VAL  80          2HG1      VAL  80  -8.215   5.572  12.708
  648   3HG1  VAL  80          3HG1      VAL  80  -7.187   6.140  11.393
  649   1HG2  VAL  80          1HG2      VAL  80 -10.877   5.000  11.819
  650   2HG2  VAL  80          2HG2      VAL  80  -9.957   4.093  10.617
  651   3HG2  VAL  80          3HG2      VAL  80 -11.095   5.337  10.101
  652    H    VAL  81           H        VAL  81  -9.814   9.470  10.163
  653    HA   VAL  81           HA       VAL  81  -7.352  10.578  11.297
  654    HB   VAL  81           HB       VAL  81  -6.678   9.387   9.259
  655   1HG1  VAL  81          1HG1      VAL  81  -7.466  10.354   7.056
  656   2HG1  VAL  81          2HG1      VAL  81  -8.762  11.128   7.968
  657   3HG1  VAL  81          3HG1      VAL  81  -8.635   9.370   7.939
  658   1HG2  VAL  81          1HG2      VAL  81  -5.456  11.176   8.228
  659   2HG2  VAL  81          2HG2      VAL  81  -5.566  11.502   9.959
  660   3HG2  VAL  81          3HG2      VAL  81  -6.607  12.370   8.830
  661    H    SER  82           H        SER  82  -7.069  12.873  10.844
  662    HA   SER  82           HA       SER  82  -9.565  14.280  11.013
  663   1HB   SER  82          2HB       SER  82  -7.447  14.867  12.285
  664   2HB   SER  82          1HB       SER  82  -6.815  15.504  10.768
  665    HG   SER  82           HG       SER  82  -7.764  17.245  11.562
  666    H    ALA  83           H        ALA  83 -10.323  15.900   9.607
  667    HA   ALA  83           HA       ALA  83 -10.121  15.307   6.864
  668   1HB   ALA  83          1HB       ALA  83 -11.204  17.761   8.239
  669   2HB   ALA  83          2HB       ALA  83 -12.111  16.323   7.773
  670   3HB   ALA  83          3HB       ALA  83 -11.431  17.376   6.533
  671    H    GLN  84           H        GLN  84  -8.686  17.889   8.824
  672    HA   GLN  84           HA       GLN  84  -7.493  19.343   6.760
  673   1HB   GLN  84          2HB       GLN  84  -7.676  19.710   9.404
  674   2HB   GLN  84          1HB       GLN  84  -6.030  19.099   9.337
  675   1HG   GLN  84          2HG       GLN  84  -6.412  21.084   7.308
  676   2HG   GLN  84          1HG       GLN  84  -6.918  21.714   8.876
  677   1HE2  GLN  84          1HE2      GLN  84  -5.402  21.839  10.557
  678   2HE2  GLN  84          2HE2      GLN  84  -3.703  21.827  10.245
  679    H    ALA  85           H        ALA  85  -6.405  16.473   8.478
  680    HA   ALA  85           HA       ALA  85  -3.757  16.453   7.481
  681   1HB   ALA  85          1HB       ALA  85  -5.025  15.053   9.388
  682   2HB   ALA  85          2HB       ALA  85  -3.504  14.542   8.660
  683   3HB   ALA  85          3HB       ALA  85  -5.028  13.860   8.090
  684    H    VAL  86           H        VAL  86  -6.738  14.865   6.392
  685    HA   VAL  86           HA       VAL  86  -5.608  13.418   4.265
  686    HB   VAL  86           HB       VAL  86  -8.418  14.516   4.354
  687   1HG1  VAL  86          1HG1      VAL  86  -7.831  11.854   3.240
  688   2HG1  VAL  86          2HG1      VAL  86  -7.206  13.223   2.322
  689   3HG1  VAL  86          3HG1      VAL  86  -8.932  13.107   2.670
  690   1HG2  VAL  86          1HG2      VAL  86  -7.104  12.419   5.952
  691   2HG2  VAL  86          2HG2      VAL  86  -8.662  11.984   5.253
  692   3HG2  VAL  86          3HG2      VAL  86  -8.531  13.391   6.306
  693    H    VAL  87           H        VAL  87  -7.269  16.571   4.269
  694    HA   VAL  87           HA       VAL  87  -6.951  17.094   1.525
  695    HB   VAL  87           HB       VAL  87  -7.123  19.153   3.727
  696   1HG1  VAL  87          1HG1      VAL  87  -8.403  19.570   1.102
  697   2HG1  VAL  87          2HG1      VAL  87  -6.639  19.597   1.119
  698   3HG1  VAL  87          3HG1      VAL  87  -7.549  20.708   2.144
  699   1HG2  VAL  87          1HG2      VAL  87  -9.583  18.437   2.311
  700   2HG2  VAL  87          2HG2      VAL  87  -9.304  18.722   4.028
  701   3HG2  VAL  87          3HG2      VAL  87  -8.935  17.148   3.324
  702    H    ALA  88           H        ALA  88  -4.868  17.685   4.289
  703    HA   ALA  88           HA       ALA  88  -2.980  19.240   2.748
  704   1HB   ALA  88          1HB       ALA  88  -2.851  18.190   5.570
  705   2HB   ALA  88          2HB       ALA  88  -3.312  19.817   5.067
  706   3HB   ALA  88          3HB       ALA  88  -1.656  19.257   4.831
  707    H    GLY  89           H        GLY  89  -3.565  15.934   3.264
  708   1HA   GLY  89          2HA       GLY  89  -2.393  14.043   2.708
  709   2HA   GLY  89          1HA       GLY  89  -1.474  15.076   1.624
  710    H    SER  90           H        SER  90  -1.545  15.653   5.060
  711    HA   SER  90           HA       SER  90   1.309  14.974   5.173
  712   1HB   SER  90          2HB       SER  90  -0.253  16.567   7.208
  713   2HB   SER  90          1HB       SER  90   1.497  16.484   7.013
  714    HG   SER  90           HG       SER  90  -0.344  17.599   5.161
  715    H    ASP  91           H        ASP  91  -0.794  12.964   5.315
  716    HA   ASP  91           HA       ASP  91   0.127  11.599   7.671
  717   1HB   ASP  91          2HB       ASP  91  -2.586  12.800   7.551
  718   2HB   ASP  91          1HB       ASP  91  -2.472  11.165   8.194
  719    HA   PRO  92           HA       PRO  92  -0.902   9.153   3.736
  720   1HB   PRO  92          2HB       PRO  92   1.677   7.960   4.631
  721   2HB   PRO  92          1HB       PRO  92   1.124   8.350   2.999
  722   1HG   PRO  92          2HG       PRO  92   2.919   9.885   4.222
  723   2HG   PRO  92          1HG       PRO  92   1.645  10.600   3.217
  724   1HD   PRO  92          2HD       PRO  92   1.870  10.479   6.192
  725   2HD   PRO  92          1HD       PRO  92   1.220  11.768   5.159
  726    H    LEU  93           H        LEU  93   0.506   8.118   6.834
  727    HA   LEU  93           HA       LEU  93  -0.348   5.462   6.781
  728   1HB   LEU  93          2HB       LEU  93   1.142   6.920   8.475
  729   2HB   LEU  93          1HB       LEU  93  -0.347   6.858   9.395
  730    HG   LEU  93           HG       LEU  93   0.487   4.248   8.363
  731   1HD1  LEU  93          1HD1      LEU  93   2.663   5.519   8.909
  732   2HD1  LEU  93          2HD1      LEU  93   2.420   3.917   9.602
  733   3HD1  LEU  93          3HD1      LEU  93   2.153   5.354  10.589
  734   1HD2  LEU  93          1HD2      LEU  93  -1.325   4.799  10.052
  735   2HD2  LEU  93          2HD2      LEU  93  -0.020   5.106  11.197
  736   3HD2  LEU  93          3HD2      LEU  93  -0.207   3.504  10.486
  737    H    GLY  94           H        GLY  94  -2.024   8.395   7.768
  738   1HA   GLY  94          2HA       GLY  94  -4.262   7.083   8.943
  739   2HA   GLY  94          1HA       GLY  94  -4.193   8.764   8.443
  740    H    LEU  95           H        LEU  95  -3.612   8.345   5.704
  741    HA   LEU  95           HA       LEU  95  -6.191   8.066   4.655
  742   1HB   LEU  95          2HB       LEU  95  -4.341   9.295   3.563
  743   2HB   LEU  95          1HB       LEU  95  -3.561   7.767   3.203
  744    HG   LEU  95           HG       LEU  95  -5.866   7.261   2.003
  745   1HD1  LEU  95          1HD1      LEU  95  -6.841   9.217   0.993
  746   2HD1  LEU  95          2HD1      LEU  95  -5.680  10.262   1.812
  747   3HD1  LEU  95          3HD1      LEU  95  -6.887   9.382   2.747
  748   1HD2  LEU  95          1HD2      LEU  95  -4.721   7.497   0.065
  749   2HD2  LEU  95          2HD2      LEU  95  -3.366   7.739   1.169
  750   3HD2  LEU  95          3HD2      LEU  95  -4.180   9.130   0.455
  751    H    ILE  96           H        ILE  96  -3.508   5.769   4.840
  752    HA   ILE  96           HA       ILE  96  -4.764   3.715   3.344
  753    HB   ILE  96           HB       ILE  96  -2.640   3.381   5.466
  754   1HG1  ILE  96          2HG1      ILE  96  -1.997   5.063   3.765
  755   2HG1  ILE  96          1HG1      ILE  96  -1.005   3.612   3.676
  756   1HG2  ILE  96          1HG2      ILE  96  -3.126   1.677   3.038
  757   2HG2  ILE  96          2HG2      ILE  96  -3.874   1.346   4.601
  758   3HG2  ILE  96          3HG2      ILE  96  -2.118   1.322   4.440
  759   1HD1  ILE  96          1HD1      ILE  96  -1.649   3.178   1.591
  760   2HD1  ILE  96          2HD1      ILE  96  -2.249   4.837   1.574
  761   3HD1  ILE  96          3HD1      ILE  96  -3.344   3.506   1.950
  762    H    ALA  97           H        ALA  97  -4.607   4.439   6.804
  763    HA   ALA  97           HA       ALA  97  -5.842   2.108   7.751
  764   1HB   ALA  97          1HB       ALA  97  -4.645   3.786   9.147
  765   2HB   ALA  97          2HB       ALA  97  -6.209   3.299   9.797
  766   3HB   ALA  97          3HB       ALA  97  -6.039   4.853   8.981
  767    H    TYR  98           H        TYR  98  -7.227   5.227   6.776
  768    HA   TYR  98           HA       TYR  98  -9.908   4.531   7.399
  769   1HB   TYR  98          2HB       TYR  98  -9.037   6.872   7.151
  770   2HB   TYR  98          1HB       TYR  98  -8.966   6.606   5.412
  771    HD1  TYR  98           1HD      TYR  98 -11.067   7.447   8.216
  772    HD2  TYR  98           2HD      TYR  98 -11.101   6.165   4.159
  773    HE1  TYR  98           1HE      TYR  98 -13.417   8.143   8.022
  774    HE2  TYR  98           2HE      TYR  98 -13.453   6.860   3.954
  775    HH   TYR  98           HH       TYR  98 -14.932   8.845   5.568
  776    H    LEU  99           H        LEU  99  -8.035   4.517   4.387
  777    HA   LEU  99           HA       LEU  99 -10.095   3.757   2.657
  778   1HB   LEU  99          2HB       LEU  99  -7.241   4.036   2.553
  779   2HB   LEU  99          1HB       LEU  99  -7.705   2.552   1.744
  780    HG   LEU  99           HG       LEU  99  -8.858   5.266   1.104
  781   1HD1  LEU  99          1HD1      LEU  99  -7.468   4.686  -1.072
  782   2HD1  LEU  99          2HD1      LEU  99  -6.472   3.816   0.098
  783   3HD1  LEU  99          3HD1      LEU  99  -6.751   5.547   0.290
  784   1HD2  LEU  99          1HD2      LEU  99  -8.967   3.032  -0.814
  785   2HD2  LEU  99          2HD2      LEU  99 -10.168   4.268  -0.437
  786   3HD2  LEU  99          3HD2      LEU  99  -9.983   2.867   0.618
  787    H    SER 100           H        SER 100  -7.947   1.833   4.685
  788    HA   SER 100           HA       SER 100  -8.582  -0.700   3.671
  789   1HB   SER 100          2HB       SER 100  -7.390   0.355   6.174
  790   2HB   SER 100          1HB       SER 100  -8.052  -1.277   6.253
  791    HG   SER 100           HG       SER 100  -6.285  -0.454   4.204
  792    H    HIS 101           H        HIS 101 -10.181   1.316   6.072
  793    HA   HIS 101           HA       HIS 101 -12.034  -0.690   6.912
  794   1HB   HIS 101          2HB       HIS 101 -11.287   1.478   8.139
  795   2HB   HIS 101          1HB       HIS 101 -12.536   2.259   7.176
  796    HD1  HIS 101           1HD      HIS 101 -14.761   0.172   7.336
  797    HD2  HIS 101           2HD      HIS 101 -12.449   1.333  10.588
  798    HE1  HIS 101           1HE      HIS 101 -16.141  -0.365   9.369
  799    HE2  HIS 101           2HE      HIS 101 -14.760   0.432  11.319
  800    H    PHE 102           H        PHE 102 -12.114   1.958   4.577
  801    HA   PHE 102           HA       PHE 102 -14.862   1.731   3.932
  802   1HB   PHE 102          2HB       PHE 102 -12.663   3.353   3.142
  803   2HB   PHE 102          1HB       PHE 102 -13.384   2.689   1.679
  804    HD1  PHE 102           1HD      PHE 102 -14.676   4.014   4.925
  805    HD2  PHE 102           2HD      PHE 102 -14.857   4.117   0.675
  806    HE1  PHE 102           1HE      PHE 102 -16.460   5.703   5.047
  807    HE2  PHE 102           2HE      PHE 102 -16.641   5.808   0.788
  808    HZ   PHE 102           HZ       PHE 102 -17.446   6.603   2.976
  809    H    HIS 103           H        HIS 103 -11.934   0.311   2.547
  810    HA   HIS 103           HA       HIS 103 -13.191  -0.943   0.350
  811   1HB   HIS 103          2HB       HIS 103 -10.743  -0.546   0.528
  812   2HB   HIS 103          1HB       HIS 103 -10.660  -1.785   1.777
  813    HD1  HIS 103           1HD      HIS 103  -9.484  -3.684   0.698
  814    HD2  HIS 103           2HD      HIS 103 -12.410  -2.063  -1.766
  815    HE1  HIS 103           1HE      HIS 103  -9.564  -5.178  -1.322
  816    HE2  HIS 103           2HE      HIS 103 -11.403  -4.228  -2.758
  817    H    SER 104           H        SER 104 -12.453  -2.039   3.630
  818    HA   SER 104           HA       SER 104 -13.195  -4.721   3.322
  819   1HB   SER 104          2HB       SER 104 -12.116  -3.317   5.346
  820   2HB   SER 104          1HB       SER 104 -13.776  -3.421   5.927
  821    HG   SER 104           HG       SER 104 -12.337  -5.682   5.021
  822    H    ALA 105           H        ALA 105 -15.104  -1.887   4.265
  823    HA   ALA 105           HA       ALA 105 -17.515  -3.363   4.664
  824   1HB   ALA 105          1HB       ALA 105 -16.728  -0.511   4.666
  825   2HB   ALA 105          2HB       ALA 105 -17.665  -1.431   5.843
  826   3HB   ALA 105          3HB       ALA 105 -18.427  -0.871   4.356
  827    H    PHE 106           H        PHE 106 -16.249  -1.352   2.031
  828    HA   PHE 106           HA       PHE 106 -18.526  -1.538   0.375
  829   1HB   PHE 106          2HB       PHE 106 -15.645  -0.836  -0.100
  830   2HB   PHE 106          1HB       PHE 106 -16.763  -0.981  -1.452
  831    HD1  PHE 106           1HD      PHE 106 -17.205   0.442   1.966
  832    HD2  PHE 106           2HD      PHE 106 -17.190   1.133  -2.230
  833    HE1  PHE 106           1HE      PHE 106 -17.968   2.750   2.349
  834    HE2  PHE 106           2HE      PHE 106 -17.952   3.444  -1.857
  835    HZ   PHE 106           HZ       PHE 106 -18.341   4.255   0.435
  836    H    LYS 107           H        LYS 107 -15.915  -3.714   1.015
  837    HA   LYS 107           HA       LYS 107 -15.826  -5.226  -1.309
  838   1HB   LYS 107          2HB       LYS 107 -14.564  -5.363   1.065
  839   2HB   LYS 107          1HB       LYS 107 -15.682  -6.708   1.254
  840   1HG   LYS 107          2HG       LYS 107 -14.721  -7.208  -1.221
  841   2HG   LYS 107          1HG       LYS 107 -13.322  -6.435  -0.472
  842   1HD   LYS 107          2HD       LYS 107 -14.183  -8.160   1.485
  843   2HD   LYS 107          1HD       LYS 107 -14.494  -9.068   0.005
  844   1HE   LYS 107          2HE       LYS 107 -12.319  -9.671   0.491
  845   2HE   LYS 107          1HE       LYS 107 -12.086  -8.339  -0.639
  846   1HZ   LYS 107          1HZ       LYS 107 -10.864  -8.495   1.712
  847   2HZ   LYS 107          2HZ       LYS 107 -12.232  -7.614   2.171
  848   3HZ   LYS 107          3HZ       LYS 107 -11.219  -7.025   0.952
  849    H    SER 108           H        SER 108 -18.082  -5.392   1.399
  850    HA   SER 108           HA       SER 108 -19.390  -7.767   0.675
  851   1HB   SER 108          2HB       SER 108 -19.573  -6.095   2.791
  852   2HB   SER 108          1HB       SER 108 -21.035  -5.637   1.917
  853    HG   SER 108           HG       SER 108 -20.314  -8.270   2.702
  854    H    MET 109           H        MET 109 -20.218  -4.378  -0.045
  855    HA   MET 109           HA       MET 109 -22.349  -5.189  -1.823
  856   1HB   MET 109          2HB       MET 109 -22.466  -3.140  -0.382
  857   2HB   MET 109          1HB       MET 109 -21.212  -2.424  -1.386
  858   1HG   MET 109          2HG       MET 109 -23.405  -1.628  -2.037
  859   2HG   MET 109          1HG       MET 109 -22.675  -2.575  -3.330
  860   1HE   MET 109          1HE       MET 109 -24.416  -4.584  -0.185
  861   2HE   MET 109          2HE       MET 109 -26.022  -3.940  -0.526
  862   3HE   MET 109          3HE       MET 109 -24.690  -2.843  -0.159
  Start of MODEL    7
    1   1H    MET  -8          1HT       MET  -8  30.317 -12.001  -9.232
    2   2H    MET  -8          2HT       MET  -8  31.369 -13.291  -9.649
    3   3H    MET  -8          3HT       MET  -8  30.023 -13.575  -8.619
    4    HA   MET  -8           HA       MET  -8  29.794 -12.627 -11.391
    5   1HB   MET  -8          2HB       MET  -8  30.795 -15.063 -10.624
    6   2HB   MET  -8          1HB       MET  -8  29.076 -15.407 -10.753
    7   1HG   MET  -8          2HG       MET  -8  30.619 -14.060 -12.946
    8   2HG   MET  -8          1HG       MET  -8  30.482 -15.813 -12.812
    9   1HE   MET  -8          1HE       MET  -8  28.379 -13.414 -15.362
   10   2HE   MET  -8          2HE       MET  -8  28.721 -15.093 -15.778
   11   3HE   MET  -8          3HE       MET  -8  29.984 -14.086 -15.069
   12    H    GLY  -7           H        GLY  -7  28.024 -11.339 -11.013
   13   1HA   GLY  -7          2HA       GLY  -7  25.588 -12.772 -10.212
   14   2HA   GLY  -7          1HA       GLY  -7  25.989 -11.270  -9.393
   15    H    HIS  -6           H        HIS  -6  23.813 -12.252 -11.353
   16    HA   HIS  -6           HA       HIS  -6  24.065 -10.039 -13.280
   17   1HB   HIS  -6          2HB       HIS  -6  22.353 -11.326 -14.615
   18   2HB   HIS  -6          1HB       HIS  -6  23.925 -12.105 -14.469
   19    HD1  HIS  -6           1HD      HIS  -6  20.350 -12.587 -13.764
   20    HD2  HIS  -6           2HD      HIS  -6  23.948 -14.342 -12.651
   21    HE1  HIS  -6           1HE      HIS  -6  19.731 -14.806 -12.756
   22    HE2  HIS  -6           2HE      HIS  -6  21.918 -15.811 -12.009
   23    H    HIS  -5           H        HIS  -5  22.566  -8.467 -13.310
   24    HA   HIS  -5           HA       HIS  -5  20.805  -7.173 -12.697
   25   1HB   HIS  -5          2HB       HIS  -5  19.557  -9.889 -12.263
   26   2HB   HIS  -5          1HB       HIS  -5  18.665  -8.382 -12.083
   27    HD1  HIS  -5           1HD      HIS  -5  20.898  -7.827 -14.783
   28    HD2  HIS  -5           2HD      HIS  -5  17.316  -9.889 -14.351
   29    HE1  HIS  -5           1HE      HIS  -5  19.983  -8.081 -17.112
   30    HE2  HIS  -5           2HE      HIS  -5  17.860  -9.409 -16.834
   31    H    HIS  -4           H        HIS  -4  20.159  -9.766 -10.367
   32    HA   HIS  -4           HA       HIS  -4  20.076  -9.781  -8.095
   33   1HB   HIS  -4          2HB       HIS  -4  22.589  -8.731  -8.813
   34   2HB   HIS  -4          1HB       HIS  -4  22.003  -7.718  -7.497
   35    HD1  HIS  -4           1HD      HIS  -4  24.010 -10.544  -7.954
   36    HD2  HIS  -4           2HD      HIS  -4  20.921  -9.643  -5.325
   37    HE1  HIS  -4           1HE      HIS  -4  24.291 -12.126  -6.020
   38    HE2  HIS  -4           2HE      HIS  -4  22.464 -11.502  -4.401
   39    H    HIS  -3           H        HIS  -3  20.296  -7.930  -6.132
   40    HA   HIS  -3           HA       HIS  -3  19.141  -6.294  -5.053
   41   1HB   HIS  -3          2HB       HIS  -3  18.997  -4.991  -7.778
   42   2HB   HIS  -3          1HB       HIS  -3  18.779  -4.193  -6.224
   43    HD1  HIS  -3           1HD      HIS  -3  20.839  -3.319  -5.093
   44    HD2  HIS  -3           2HD      HIS  -3  21.716  -5.881  -8.246
   45    HE1  HIS  -3           1HE      HIS  -3  23.329  -3.173  -5.405
   46    HE2  HIS  -3           2HE      HIS  -3  23.826  -4.662  -7.374
   47    H    HIS  -2           H        HIS  -2  16.998  -5.167  -4.924
   48    HA   HIS  -2           HA       HIS  -2  14.878  -5.955  -6.648
   49   1HB   HIS  -2          2HB       HIS  -2  15.439  -8.057  -5.244
   50   2HB   HIS  -2          1HB       HIS  -2  14.690  -7.186  -3.912
   51    HD1  HIS  -2           1HD      HIS  -2  12.230  -6.010  -5.129
   52    HD2  HIS  -2           2HD      HIS  -2  13.579  -9.822  -6.087
   53    HE1  HIS  -2           1HE      HIS  -2  10.215  -7.235  -5.999
   54    HE2  HIS  -2           2HE      HIS  -2  11.037  -9.566  -6.496
   55    H    HIS  -1           H        HIS  -1  13.406  -4.397  -6.542
   56    HA   HIS  -1           HA       HIS  -1  12.925  -3.052  -3.979
   57   1HB   HIS  -1          2HB       HIS  -1  13.693  -1.767  -6.586
   58   2HB   HIS  -1          1HB       HIS  -1  12.729  -0.889  -5.403
   59    HD1  HIS  -1           1HD      HIS  -1  13.897  -0.219  -3.184
   60    HD2  HIS  -1           2HD      HIS  -1  16.383  -2.105  -5.928
   61    HE1  HIS  -1           1HE      HIS  -1  16.236   0.168  -2.347
   62    HE2  HIS  -1           2HE      HIS  -1  17.719  -1.052  -3.980
   63    H    MET   0           H        MET   0  10.895  -3.765  -3.628
   64    HA   MET   0           HA       MET   0   8.742  -2.640  -5.036
   65   1HB   MET   0          2HB       MET   0   9.754  -5.095  -6.143
   66   2HB   MET   0          1HB       MET   0   8.125  -5.349  -5.533
   67   1HG   MET   0          2HG       MET   0   7.585  -3.167  -6.832
   68   2HG   MET   0          1HG       MET   0   9.074  -3.536  -7.701
   69   1HE   MET   0          1HE       MET   0   5.022  -4.809  -7.870
   70   2HE   MET   0          2HE       MET   0   5.894  -4.726  -6.339
   71   3HE   MET   0          3HE       MET   0   5.588  -6.290  -7.096
   72    H    GLY   1           H        GLY   1   8.040  -2.144  -2.970
   73   1HA   GLY   1          2HA       GLY   1   6.693  -4.336  -1.592
   74   2HA   GLY   1          1HA       GLY   1   7.896  -3.447  -0.669
   75    H    SER   2           H        SER   2   7.557  -0.918  -1.028
   76    HA   SER   2           HA       SER   2   4.819  -0.420  -0.144
   77   1HB   SER   2          2HB       SER   2   6.995   1.651  -0.184
   78   2HB   SER   2          1HB       SER   2   5.610   1.519   0.899
   79    HG   SER   2           HG       SER   2   7.103   0.689   2.160
   80    H    ALA   3           H        ALA   3   5.829  -0.771  -3.034
   81    HA   ALA   3           HA       ALA   3   4.663   1.723  -4.085
   82   1HB   ALA   3          1HB       ALA   3   6.875   0.007  -5.168
   83   2HB   ALA   3          2HB       ALA   3   6.892   1.733  -4.808
   84   3HB   ALA   3          3HB       ALA   3   5.981   1.129  -6.193
   85    H    GLY   4           H        GLY   4   4.826  -1.785  -4.359
   86   1HA   GLY   4          2HA       GLY   4   2.889  -1.867  -6.508
   87   2HA   GLY   4          1HA       GLY   4   3.593  -3.249  -5.681
   88    H    THR   5           H        THR   5   2.854  -2.090  -3.033
   89    HA   THR   5           HA       THR   5   0.262  -3.295  -2.856
   90    HB   THR   5           HB       THR   5   0.415  -2.727  -0.457
   91    HG1  THR   5           1HG      THR   5   2.900  -1.538  -1.114
   92   1HG2  THR   5          1HG2      THR   5   3.049  -3.649  -0.436
   93   2HG2  THR   5          2HG2      THR   5   2.303  -4.350  -1.873
   94   3HG2  THR   5          3HG2      THR   5   1.571  -4.600  -0.288
   95    H    GLN   6           H        GLN   6   1.505   0.003  -2.385
   96    HA   GLN   6           HA       GLN   6  -0.979   1.195  -1.812
   97   1HB   GLN   6          2HB       GLN   6   1.668   2.236  -2.764
   98   2HB   GLN   6          1HB       GLN   6   0.277   3.309  -2.681
   99   1HG   GLN   6          2HG       GLN   6   0.029   2.753  -0.293
  100   2HG   GLN   6          1HG       GLN   6   1.483   1.761  -0.400
  101   1HE2  GLN   6          1HE2      GLN   6   2.262   3.183   1.294
  102   2HE2  GLN   6          2HE2      GLN   6   2.970   4.698   0.864
  103    H    GLU   7           H        GLU   7   0.638   0.457  -4.827
  104    HA   GLU   7           HA       GLU   7  -0.888   2.078  -6.538
  105   1HB   GLU   7          2HB       GLU   7   1.266   0.550  -6.911
  106   2HB   GLU   7          1HB       GLU   7   0.052  -0.571  -7.511
  107   1HG   GLU   7          2HG       GLU   7   0.960   0.699  -9.337
  108   2HG   GLU   7          1HG       GLU   7  -0.727   1.145  -9.086
  109    H    GLU   8           H        GLU   8  -1.344  -1.310  -5.547
  110    HA   GLU   8           HA       GLU   8  -3.638  -1.768  -7.114
  111   1HB   GLU   8          2HB       GLU   8  -4.008  -3.726  -5.716
  112   2HB   GLU   8          1HB       GLU   8  -2.305  -3.582  -6.129
  113   1HG   GLU   8          2HG       GLU   8  -1.678  -3.151  -3.990
  114   2HG   GLU   8          1HG       GLU   8  -3.206  -2.377  -3.577
  115    H    LEU   9           H        LEU   9  -3.199  -0.314  -3.963
  116    HA   LEU   9           HA       LEU   9  -5.931  -0.417  -3.175
  117   1HB   LEU   9          2HB       LEU   9  -3.723   1.440  -2.280
  118   2HB   LEU   9          1HB       LEU   9  -5.275   1.257  -1.485
  119    HG   LEU   9           HG       LEU   9  -3.280  -0.984  -1.795
  120   1HD1  LEU   9          1HD1      LEU   9  -3.199  -0.487   0.806
  121   2HD1  LEU   9          2HD1      LEU   9  -3.560   1.147   0.249
  122   3HD1  LEU   9          3HD1      LEU   9  -2.119   0.316  -0.334
  123   1HD2  LEU   9          1HD2      LEU   9  -5.924  -1.189  -1.331
  124   2HD2  LEU   9          2HD2      LEU   9  -5.335  -0.984   0.319
  125   3HD2  LEU   9          3HD2      LEU   9  -4.728  -2.306  -0.676
  126    H    LEU  10           H        LEU  10  -3.912   2.144  -4.591
  127    HA   LEU  10           HA       LEU  10  -5.941   4.091  -4.738
  128   1HB   LEU  10          2HB       LEU  10  -3.231   3.972  -5.306
  129   2HB   LEU  10          1HB       LEU  10  -3.962   4.264  -6.871
  130    HG   LEU  10           HG       LEU  10  -4.644   5.962  -4.487
  131   1HD1  LEU  10          1HD1      LEU  10  -2.153   5.883  -4.930
  132   2HD1  LEU  10          2HD1      LEU  10  -2.911   7.475  -4.997
  133   3HD1  LEU  10          3HD1      LEU  10  -2.505   6.628  -6.490
  134   1HD2  LEU  10          1HD2      LEU  10  -5.067   7.617  -6.338
  135   2HD2  LEU  10          2HD2      LEU  10  -6.161   6.234  -6.289
  136   3HD2  LEU  10          3HD2      LEU  10  -4.855   6.282  -7.472
  137    H    ARG  11           H        ARG  11  -4.871   1.607  -7.000
  138    HA   ARG  11           HA       ARG  11  -6.358   2.402  -9.231
  139   1HB   ARG  11          2HB       ARG  11  -5.290  -0.248  -8.306
  140   2HB   ARG  11          1HB       ARG  11  -6.269  -0.136  -9.764
  141   1HG   ARG  11          2HG       ARG  11  -4.550   1.750 -10.383
  142   2HG   ARG  11          1HG       ARG  11  -3.528   0.886  -9.232
  143   1HD   ARG  11          2HD       ARG  11  -3.361  -0.958 -10.557
  144   2HD   ARG  11          1HD       ARG  11  -4.956  -0.725 -11.270
  145    HE   ARG  11           HE       ARG  11  -2.502   0.128 -12.356
  146   1HH1  ARG  11          1HH1      ARG  11  -5.788   1.216 -11.919
  147   2HH1  ARG  11          2HH1      ARG  11  -5.768   2.239 -13.314
  148   1HH2  ARG  11          1HH2      ARG  11  -2.472   1.474 -14.192
  149   2HH2  ARG  11          2HH2      ARG  11  -3.885   2.387 -14.606
  150    H    TRP  12           H        TRP  12  -7.215   0.247  -6.548
  151    HA   TRP  12           HA       TRP  12  -9.755  -0.485  -7.535
  152   1HB   TRP  12          2HB       TRP  12  -8.512  -1.683  -5.724
  153   2HB   TRP  12          1HB       TRP  12  -8.890  -0.345  -4.640
  154    HD1  TRP  12           HD       TRP  12 -10.506  -3.336  -6.386
  155    HE1  TRP  12           1HE      TRP  12 -12.801  -3.778  -5.308
  156    HE3  TRP  12           3HE      TRP  12 -10.811   0.801  -3.397
  157    HZ2  TRP  12           2HZ      TRP  12 -14.513  -2.540  -3.437
  158    HZ3  TRP  12           3HZ      TRP  12 -12.810   1.097  -1.995
  159    HH2  TRP  12           HH       TRP  12 -14.622  -0.539  -2.015
  160    H    CYS  13           H        CYS  13  -8.701   2.100  -5.360
  161    HA   CYS  13           HA       CYS  13 -11.230   3.073  -4.657
  162   1HB   CYS  13          2HB       CYS  13  -8.731   3.698  -3.901
  163   2HB   CYS  13          1HB       CYS  13  -9.029   5.039  -5.003
  164    HG   CYS  13           HG       CYS  13 -11.089   4.589  -2.748
  165    H    GLN  14           H        GLN  14  -9.083   3.972  -7.337
  166    HA   GLN  14           HA       GLN  14 -10.662   6.040  -8.377
  167   1HB   GLN  14          2HB       GLN  14  -8.291   5.582  -8.997
  168   2HB   GLN  14          1HB       GLN  14  -8.836   4.188  -9.917
  169   1HG   GLN  14          2HG       GLN  14 -10.198   5.697 -11.320
  170   2HG   GLN  14          1HG       GLN  14  -9.529   7.068 -10.439
  171   1HE2  GLN  14          1HE2      GLN  14  -8.194   4.099 -11.862
  172   2HE2  GLN  14          2HE2      GLN  14  -6.955   4.889 -12.771
  173    H    GLU  15           H        GLU  15 -10.772   2.561  -8.841
  174    HA   GLU  15           HA       GLU  15 -12.542   2.552 -11.047
  175   1HB   GLU  15          2HB       GLU  15 -11.158   0.638  -9.566
  176   2HB   GLU  15          1HB       GLU  15 -12.852   0.250  -9.300
  177   1HG   GLU  15          2HG       GLU  15 -12.199  -1.009 -11.163
  178   2HG   GLU  15          1HG       GLU  15 -13.131   0.341 -11.810
  179    H    GLN  16           H        GLN  16 -13.082   2.293  -7.552
  180    HA   GLN  16           HA       GLN  16 -15.904   2.030  -7.738
  181   1HB   GLN  16          2HB       GLN  16 -14.063   2.805  -5.479
  182   2HB   GLN  16          1HB       GLN  16 -15.807   2.706  -5.282
  183   1HG   GLN  16          2HG       GLN  16 -14.056   0.436  -6.192
  184   2HG   GLN  16          1HG       GLN  16 -14.608   0.683  -4.536
  185   1HE2  GLN  16          1HE2      GLN  16 -15.285  -1.632  -5.366
  186   2HE2  GLN  16          2HE2      GLN  16 -16.927  -1.732  -5.895
  187    H    THR  17           H        THR  17 -13.728   4.756  -7.614
  188    HA   THR  17           HA       THR  17 -15.952   6.623  -7.298
  189    HB   THR  17           HB       THR  17 -12.979   7.150  -7.438
  190    HG1  THR  17           1HG      THR  17 -13.654   5.982  -5.574
  191   1HG2  THR  17          1HG2      THR  17 -14.138   9.201  -6.036
  192   2HG2  THR  17          2HG2      THR  17 -15.261   8.938  -7.369
  193   3HG2  THR  17          3HG2      THR  17 -13.563   9.274  -7.702
  194    H    ALA  18           H        ALA  18 -14.847   4.978  -9.810
  195    HA   ALA  18           HA       ALA  18 -14.438   7.115 -11.708
  196   1HB   ALA  18          1HB       ALA  18 -14.694   4.132 -12.046
  197   2HB   ALA  18          2HB       ALA  18 -13.216   5.093 -12.072
  198   3HB   ALA  18          3HB       ALA  18 -14.395   5.255 -13.373
  199    H    GLY  19           H        GLY  19 -15.978   8.152 -12.796
  200   1HA   GLY  19          2HA       GLY  19 -18.078   7.389 -14.196
  201   2HA   GLY  19          1HA       GLY  19 -18.732   7.192 -12.578
  202    H    TYR  20           H        TYR  20 -17.153   9.523 -11.600
  203    HA   TYR  20           HA       TYR  20 -19.071  11.551 -12.401
  204   1HB   TYR  20          2HB       TYR  20 -16.871  11.768 -10.341
  205   2HB   TYR  20          1HB       TYR  20 -18.269  12.824 -10.517
  206    HD1  TYR  20           1HD      TYR  20 -20.325  12.301  -9.474
  207    HD2  TYR  20           2HD      TYR  20 -17.231   9.383  -9.610
  208    HE1  TYR  20           1HE      TYR  20 -21.590  10.897  -7.903
  209    HE2  TYR  20           2HE      TYR  20 -18.488   7.970  -8.038
  210    HH   TYR  20           HH       TYR  20 -21.511   8.088  -7.471
  211    HA   PRO  21           HA       PRO  21 -16.173  13.216 -15.397
  212   1HB   PRO  21          2HB       PRO  21 -18.000  15.538 -15.364
  213   2HB   PRO  21          1HB       PRO  21 -17.508  14.512 -16.715
  214   1HG   PRO  21          2HG       PRO  21 -19.972  14.365 -15.680
  215   2HG   PRO  21          1HG       PRO  21 -19.126  12.922 -16.273
  216   1HD   PRO  21          2HD       PRO  21 -19.527  13.865 -13.460
  217   2HD   PRO  21          1HD       PRO  21 -19.599  12.218 -14.119
  218    H    GLY  22           H        GLY  22 -14.311  14.130 -14.807
  219   1HA   GLY  22          2HA       GLY  22 -13.129  16.166 -14.262
  220   2HA   GLY  22          1HA       GLY  22 -14.416  16.552 -13.131
  221    H    VAL  23           H        VAL  23 -14.457  13.734 -12.157
  222    HA   VAL  23           HA       VAL  23 -12.471  14.079 -10.108
  223    HB   VAL  23           HB       VAL  23 -14.275  11.698 -10.541
  224   1HG1  VAL  23          1HG1      VAL  23 -13.079  12.714  -7.975
  225   2HG1  VAL  23          2HG1      VAL  23 -12.300  11.494  -8.983
  226   3HG1  VAL  23          3HG1      VAL  23 -13.878  11.170  -8.268
  227   1HG2  VAL  23          1HG2      VAL  23 -14.778  14.256  -9.026
  228   2HG2  VAL  23          2HG2      VAL  23 -15.763  12.800  -8.878
  229   3HG2  VAL  23          3HG2      VAL  23 -15.669  13.648 -10.421
  230    H    HIS  24           H        HIS  24 -10.461  13.397 -10.217
  231    HA   HIS  24           HA       HIS  24  -9.836  11.027 -11.850
  232   1HB   HIS  24          2HB       HIS  24  -8.600  13.724 -11.842
  233   2HB   HIS  24          1HB       HIS  24  -7.493  12.357 -11.936
  234    HD1  HIS  24           1HD      HIS  24 -10.641  11.604 -13.585
  235    HD2  HIS  24           2HD      HIS  24  -7.076  13.471 -14.619
  236    HE1  HIS  24           1HE      HIS  24 -10.617  11.661 -16.099
  237    HE2  HIS  24           2HE      HIS  24  -8.493  12.874 -16.700
  238    H    VAL  25           H        VAL  25 -10.223  10.018  -9.691
  239    HA   VAL  25           HA       VAL  25  -8.536  10.494  -7.490
  240    HB   VAL  25           HB       VAL  25  -9.836   7.861  -8.188
  241   1HG1  VAL  25          1HG1      VAL  25  -9.393   7.183  -6.085
  242   2HG1  VAL  25          2HG1      VAL  25  -9.634   8.790  -5.402
  243   3HG1  VAL  25          3HG1      VAL  25  -8.106   8.383  -6.182
  244   1HG2  VAL  25          1HG2      VAL  25 -11.709   8.720  -6.730
  245   2HG2  VAL  25          2HG2      VAL  25 -11.570   9.472  -8.319
  246   3HG2  VAL  25          3HG2      VAL  25 -10.985  10.321  -6.888
  247    H    SER  26           H        SER  26  -6.386  10.613  -8.118
  248    HA   SER  26           HA       SER  26  -5.086   8.045  -8.464
  249   1HB   SER  26          2HB       SER  26  -5.611   9.316 -10.759
  250   2HB   SER  26          1HB       SER  26  -4.119  10.154 -10.329
  251    HG   SER  26           HG       SER  26  -3.081   8.143 -10.231
  252    H    ASP  27           H        ASP  27  -5.306  10.366  -6.530
  253    HA   ASP  27           HA       ASP  27  -2.430  10.599  -6.034
  254   1HB   ASP  27          2HB       ASP  27  -4.370  12.918  -5.891
  255   2HB   ASP  27          1HB       ASP  27  -2.675  12.970  -5.419
  256    H    LEU  28           H        LEU  28  -1.852  10.529  -3.893
  257    HA   LEU  28           HA       LEU  28  -4.000   9.840  -2.035
  258   1HB   LEU  28          2HB       LEU  28  -1.051   9.344  -2.111
  259   2HB   LEU  28          1HB       LEU  28  -1.903   9.260  -0.581
  260    HG   LEU  28           HG       LEU  28  -3.061   7.698  -2.817
  261   1HD1  LEU  28          1HD1      LEU  28  -0.551   6.818  -1.397
  262   2HD1  LEU  28          2HD1      LEU  28  -0.646   7.314  -3.087
  263   3HD1  LEU  28          3HD1      LEU  28  -1.501   5.870  -2.542
  264   1HD2  LEU  28          1HD2      LEU  28  -2.722   7.428   0.147
  265   2HD2  LEU  28          2HD2      LEU  28  -3.170   6.042  -0.846
  266   3HD2  LEU  28          3HD2      LEU  28  -4.205   7.470  -0.805
  267    H    SER  29           H        SER  29  -3.733  12.576  -2.727
  268    HA   SER  29           HA       SER  29  -3.602  13.715  -0.119
  269   1HB   SER  29          2HB       SER  29  -1.374  14.323  -2.063
  270   2HB   SER  29          1HB       SER  29  -1.787  15.392  -0.722
  271    HG   SER  29           HG       SER  29  -0.343  13.120  -0.698
  272    H    SER  30           H        SER  30  -2.790  15.196  -3.241
  273    HA   SER  30           HA       SER  30  -4.505  17.366  -2.979
  274   1HB   SER  30          2HB       SER  30  -2.972  16.130  -5.178
  275   2HB   SER  30          1HB       SER  30  -4.339  17.123  -5.683
  276    HG   SER  30           HG       SER  30  -2.306  17.962  -3.889
  277    H    SER  31           H        SER  31  -5.056  14.272  -4.619
  278    HA   SER  31           HA       SER  31  -7.533  14.800  -5.747
  279   1HB   SER  31          2HB       SER  31  -6.048  12.376  -4.955
  280   2HB   SER  31          1HB       SER  31  -7.793  12.172  -5.101
  281    HG   SER  31           HG       SER  31  -5.951  12.378  -7.042
  282    H    TRP  32           H        TRP  32  -6.713  14.137  -2.425
  283    HA   TRP  32           HA       TRP  32  -9.519  13.828  -1.688
  284   1HB   TRP  32          2HB       TRP  32  -7.069  13.739   0.079
  285   2HB   TRP  32          1HB       TRP  32  -8.701  13.256   0.526
  286    HD1  TRP  32           HD       TRP  32  -5.715  12.100  -1.589
  287    HE1  TRP  32           1HE      TRP  32  -5.982   9.585  -2.070
  288    HE3  TRP  32           3HE      TRP  32 -10.402  11.399   0.328
  289    HZ2  TRP  32           2HZ      TRP  32  -7.922   7.571  -1.690
  290    HZ3  TRP  32           3HZ      TRP  32 -11.392   9.148   0.230
  291    HH2  TRP  32           HH       TRP  32 -10.177   7.275  -0.758
  292    H    ALA  33           H        ALA  33  -7.567  16.382  -2.283
  293    HA   ALA  33           HA       ALA  33  -7.702  18.101  -0.140
  294   1HB   ALA  33          1HB       ALA  33  -8.156  19.030  -2.960
  295   2HB   ALA  33          2HB       ALA  33  -6.587  18.456  -2.395
  296   3HB   ALA  33          3HB       ALA  33  -7.331  19.868  -1.645
  297    H    ASP  34           H        ASP  34 -10.026  18.160  -2.852
  298    HA   ASP  34           HA       ASP  34 -11.919  19.648  -1.271
  299   1HB   ASP  34          2HB       ASP  34 -13.377  19.389  -3.322
  300   2HB   ASP  34          1HB       ASP  34 -11.835  20.200  -3.589
  301    H    GLY  35           H        GLY  35 -11.127  16.439  -1.314
  302   1HA   GLY  35          2HA       GLY  35 -12.147  14.627  -0.337
  303   2HA   GLY  35          1HA       GLY  35 -13.460  15.693   0.140
  304    H    LEU  36           H        LEU  36 -12.370  15.151  -3.163
  305    HA   LEU  36           HA       LEU  36 -15.005  14.621  -4.071
  306   1HB   LEU  36          2HB       LEU  36 -12.487  15.190  -5.224
  307   2HB   LEU  36          1HB       LEU  36 -13.029  13.678  -5.929
  308    HG   LEU  36           HG       LEU  36 -13.807  15.330  -7.394
  309   1HD1  LEU  36          1HD1      LEU  36 -16.148  15.099  -7.368
  310   2HD1  LEU  36          2HD1      LEU  36 -16.196  14.950  -5.612
  311   3HD1  LEU  36          3HD1      LEU  36 -15.524  13.645  -6.591
  312   1HD2  LEU  36          1HD2      LEU  36 -15.165  17.286  -6.534
  313   2HD2  LEU  36          2HD2      LEU  36 -13.436  17.321  -6.193
  314   3HD2  LEU  36          3HD2      LEU  36 -14.575  16.863  -4.927
  315    H    ALA  37           H        ALA  37 -12.160  12.547  -3.598
  316    HA   ALA  37           HA       ALA  37 -13.276  10.160  -4.528
  317   1HB   ALA  37          1HB       ALA  37 -11.533   9.066  -3.075
  318   2HB   ALA  37          2HB       ALA  37 -11.103  10.683  -2.516
  319   3HB   ALA  37          3HB       ALA  37 -10.932  10.264  -4.221
  320    H    LEU  38           H        LEU  38 -13.169  11.479  -1.227
  321    HA   LEU  38           HA       LEU  38 -14.466   9.309   0.011
  322   1HB   LEU  38          2HB       LEU  38 -13.224  11.540   0.901
  323   2HB   LEU  38          1HB       LEU  38 -14.898  11.994   1.162
  324    HG   LEU  38           HG       LEU  38 -15.167   9.833   2.450
  325   1HD1  LEU  38          1HD1      LEU  38 -12.158   9.863   2.293
  326   2HD1  LEU  38          2HD1      LEU  38 -13.227   8.660   1.572
  327   3HD1  LEU  38          3HD1      LEU  38 -13.125   8.812   3.326
  328   1HD2  LEU  38          1HD2      LEU  38 -13.567  10.835   4.348
  329   2HD2  LEU  38          2HD2      LEU  38 -15.118  11.555   3.914
  330   3HD2  LEU  38          3HD2      LEU  38 -13.624  12.218   3.256
  331    H    CYS  39           H        CYS  39 -15.731  12.384  -1.241
  332    HA   CYS  39           HA       CYS  39 -18.409  11.940  -0.472
  333   1HB   CYS  39          2HB       CYS  39 -16.931  13.905  -2.003
  334   2HB   CYS  39          1HB       CYS  39 -18.480  13.557  -2.758
  335    HG   CYS  39           HG       CYS  39 -18.070  14.985  -0.075
  336    H    ALA  40           H        ALA  40 -16.697  11.331  -3.521
  337    HA   ALA  40           HA       ALA  40 -18.857  10.476  -5.052
  338   1HB   ALA  40          1HB       ALA  40 -16.216   9.141  -5.384
  339   2HB   ALA  40          2HB       ALA  40 -16.334  10.880  -5.647
  340   3HB   ALA  40          3HB       ALA  40 -17.322   9.775  -6.603
  341    H    LEU  41           H        LEU  41 -16.686   8.560  -2.986
  342    HA   LEU  41           HA       LEU  41 -17.787   6.049  -3.530
  343   1HB   LEU  41          2HB       LEU  41 -16.172   7.210  -1.319
  344   2HB   LEU  41          1HB       LEU  41 -16.943   5.660  -1.035
  345    HG   LEU  41           HG       LEU  41 -15.085   6.220  -3.346
  346   1HD1  LEU  41          1HD1      LEU  41 -14.505   4.793  -0.755
  347   2HD1  LEU  41          2HD1      LEU  41 -13.931   6.406  -1.181
  348   3HD1  LEU  41          3HD1      LEU  41 -13.397   5.006  -2.111
  349   1HD2  LEU  41          1HD2      LEU  41 -15.003   3.706  -3.384
  350   2HD2  LEU  41          2HD2      LEU  41 -16.536   4.421  -3.881
  351   3HD2  LEU  41          3HD2      LEU  41 -16.372   3.722  -2.271
  352    H    VAL  42           H        VAL  42 -18.489   8.267  -0.831
  353    HA   VAL  42           HA       VAL  42 -20.471   6.735   0.395
  354    HB   VAL  42           HB       VAL  42 -20.409   9.752   0.302
  355   1HG1  VAL  42          1HG1      VAL  42 -21.842   9.760   2.058
  356   2HG1  VAL  42          2HG1      VAL  42 -21.225   8.241   2.711
  357   3HG1  VAL  42          3HG1      VAL  42 -22.339   8.226   1.344
  358   1HG2  VAL  42          1HG2      VAL  42 -19.203   8.504   2.632
  359   2HG2  VAL  42          2HG2      VAL  42 -18.593   9.798   1.600
  360   3HG2  VAL  42          3HG2      VAL  42 -18.345   8.114   1.142
  361    H    TYR  43           H        TYR  43 -20.701   9.082  -2.235
  362    HA   TYR  43           HA       TYR  43 -23.481   9.287  -2.386
  363   1HB   TYR  43          2HB       TYR  43 -21.769  10.687  -3.613
  364   2HB   TYR  43          1HB       TYR  43 -21.611   9.358  -4.756
  365    HD1  TYR  43           1HD      TYR  43 -24.445  11.198  -3.141
  366    HD2  TYR  43           2HD      TYR  43 -22.733   9.697  -6.735
  367    HE1  TYR  43           1HE      TYR  43 -26.358  12.075  -4.412
  368    HE2  TYR  43           2HE      TYR  43 -24.641  10.571  -8.016
  369    HH   TYR  43           HH       TYR  43 -26.379  12.539  -7.619
  370    H    ARG  44           H        ARG  44 -21.278   7.003  -3.984
  371    HA   ARG  44           HA       ARG  44 -23.237   5.672  -5.501
  372   1HB   ARG  44          2HB       ARG  44 -20.520   5.545  -5.336
  373   2HB   ARG  44          1HB       ARG  44 -20.974   4.036  -4.556
  374   1HG   ARG  44          2HG       ARG  44 -20.837   3.316  -6.703
  375   2HG   ARG  44          1HG       ARG  44 -22.528   3.817  -6.681
  376   1HD   ARG  44          2HD       ARG  44 -20.463   5.830  -7.413
  377   2HD   ARG  44          1HD       ARG  44 -20.879   4.589  -8.596
  378    HE   ARG  44           HE       ARG  44 -23.169   5.906  -7.474
  379   1HH1  ARG  44          1HH1      ARG  44 -20.710   6.080  -9.945
  380   2HH1  ARG  44          2HH1      ARG  44 -21.656   7.084 -10.991
  381   1HH2  ARG  44          1HH2      ARG  44 -24.414   7.226  -8.849
  382   2HH2  ARG  44          2HH2      ARG  44 -23.759   7.736 -10.369
  383    H    LEU  45           H        LEU  45 -22.104   5.227  -2.204
  384    HA   LEU  45           HA       LEU  45 -23.555   2.778  -1.805
  385   1HB   LEU  45          2HB       LEU  45 -21.957   4.618  -0.078
  386   2HB   LEU  45          1HB       LEU  45 -23.028   3.456   0.682
  387    HG   LEU  45           HG       LEU  45 -20.695   2.658   0.511
  388   1HD1  LEU  45          1HD1      LEU  45 -21.270   0.480   0.049
  389   2HD1  LEU  45          2HD1      LEU  45 -22.314   0.929  -1.302
  390   3HD1  LEU  45          3HD1      LEU  45 -22.851   1.200   0.356
  391   1HD2  LEU  45          1HD2      LEU  45 -21.233   2.871  -2.444
  392   2HD2  LEU  45          2HD2      LEU  45 -19.909   1.934  -1.751
  393   3HD2  LEU  45          3HD2      LEU  45 -19.971   3.681  -1.517
  394    H    GLN  46           H        GLN  46 -24.034   6.185  -1.003
  395    HA   GLN  46           HA       GLN  46 -26.867   5.607  -0.519
  396   1HB   GLN  46          2HB       GLN  46 -24.959   6.981   1.335
  397   2HB   GLN  46          1HB       GLN  46 -26.646   7.472   1.314
  398   1HG   GLN  46          2HG       GLN  46 -25.647   4.681   1.834
  399   2HG   GLN  46          1HG       GLN  46 -26.177   5.830   3.061
  400   1HE2  GLN  46          1HE2      GLN  46 -28.271   5.928   3.562
  401   2HE2  GLN  46          2HE2      GLN  46 -29.533   5.091   2.730
  402    HA   PRO  47           HA       PRO  47 -26.126   9.196  -3.418
  403   1HB   PRO  47          2HB       PRO  47 -27.859   8.339  -5.330
  404   2HB   PRO  47          1HB       PRO  47 -26.158   7.863  -5.286
  405   1HG   PRO  47          2HG       PRO  47 -28.570   6.363  -4.341
  406   2HG   PRO  47          1HG       PRO  47 -27.164   5.768  -5.244
  407   1HD   PRO  47          2HD       PRO  47 -27.438   5.406  -2.576
  408   2HD   PRO  47          1HD       PRO  47 -25.854   5.621  -3.350
  409    H    GLY  48           H        GLY  48 -28.958   7.586  -2.141
  410   1HA   GLY  48          2HA       GLY  48 -30.731   9.791  -2.725
  411   2HA   GLY  48          1HA       GLY  48 -31.125   8.349  -1.804
  412    H    LEU  49           H        LEU  49 -28.363   9.342  -0.417
  413    HA   LEU  49           HA       LEU  49 -29.641  11.337   1.315
  414   1HB   LEU  49          2HB       LEU  49 -28.710   8.639   2.055
  415   2HB   LEU  49          1HB       LEU  49 -28.201   9.925   3.134
  416    HG   LEU  49           HG       LEU  49 -31.055   9.271   2.400
  417   1HD1  LEU  49          1HD1      LEU  49 -29.518   7.841   4.060
  418   2HD1  LEU  49          2HD1      LEU  49 -31.245   8.099   4.321
  419   3HD1  LEU  49          3HD1      LEU  49 -30.065   9.095   5.175
  420   1HD2  LEU  49          1HD2      LEU  49 -29.809  11.462   4.009
  421   2HD2  LEU  49          2HD2      LEU  49 -31.423  10.871   4.401
  422   3HD2  LEU  49          3HD2      LEU  49 -31.095  11.551   2.807
  423    H    LEU  50           H        LEU  50 -27.624  11.580  -0.772
  424    HA   LEU  50           HA       LEU  50 -25.549  12.846   0.853
  425   1HB   LEU  50          2HB       LEU  50 -25.163  10.578  -0.974
  426   2HB   LEU  50          1HB       LEU  50 -24.062  11.914  -1.243
  427    HG   LEU  50           HG       LEU  50 -23.002  10.355   0.229
  428   1HD1  LEU  50          1HD1      LEU  50 -22.863  12.860   0.674
  429   2HD1  LEU  50          2HD1      LEU  50 -22.373  11.780   1.979
  430   3HD1  LEU  50          3HD1      LEU  50 -23.953  12.561   2.028
  431   1HD2  LEU  50          1HD2      LEU  50 -24.037   9.173   1.815
  432   2HD2  LEU  50          2HD2      LEU  50 -25.539   9.774   1.116
  433   3HD2  LEU  50          3HD2      LEU  50 -24.816  10.601   2.494
  434    H    GLU  51           H        GLU  51 -24.231  14.382  -0.383
  435    HA   GLU  51           HA       GLU  51 -25.348  15.298  -2.911
  436   1HB   GLU  51          2HB       GLU  51 -25.239  17.021  -0.428
  437   2HB   GLU  51          1HB       GLU  51 -25.502  17.646  -2.049
  438   1HG   GLU  51          2HG       GLU  51 -27.418  15.733  -1.911
  439   2HG   GLU  51          1HG       GLU  51 -27.343  16.272  -0.233
  440    HA   PRO  52           HA       PRO  52 -20.654  15.382  -2.362
  441   1HB   PRO  52          2HB       PRO  52 -20.281  14.394  -4.928
  442   2HB   PRO  52          1HB       PRO  52 -20.278  13.424  -3.452
  443   1HG   PRO  52          2HG       PRO  52 -22.483  13.881  -5.414
  444   2HG   PRO  52          1HG       PRO  52 -22.019  12.391  -4.574
  445   1HD   PRO  52          2HD       PRO  52 -24.129  13.820  -3.775
  446   2HD   PRO  52          1HD       PRO  52 -23.054  13.040  -2.594
  447    H    SER  53           H        SER  53 -22.488  16.045  -5.355
  448    HA   SER  53           HA       SER  53 -20.750  17.880  -6.479
  449   1HB   SER  53          2HB       SER  53 -23.761  17.693  -6.641
  450   2HB   SER  53          1HB       SER  53 -22.810  18.799  -7.629
  451    HG   SER  53           HG       SER  53 -21.622  16.841  -8.290
  452    H    GLU  54           H        GLU  54 -23.033  18.305  -3.873
  453    HA   GLU  54           HA       GLU  54 -23.045  21.154  -3.919
  454   1HB   GLU  54          2HB       GLU  54 -24.786  19.668  -2.846
  455   2HB   GLU  54          1HB       GLU  54 -23.634  19.383  -1.548
  456   1HG   GLU  54          2HG       GLU  54 -24.058  21.348  -0.588
  457   2HG   GLU  54          1HG       GLU  54 -24.028  22.208  -2.127
  458    H    LEU  55           H        LEU  55 -21.358  18.781  -1.867
  459    HA   LEU  55           HA       LEU  55 -19.791  20.860  -0.610
  460   1HB   LEU  55          2HB       LEU  55 -19.881  17.868  -0.328
  461   2HB   LEU  55          1HB       LEU  55 -18.674  18.843   0.489
  462    HG   LEU  55           HG       LEU  55 -20.443  18.385   2.036
  463   1HD1  LEU  55          1HD1      LEU  55 -19.481  20.851   1.565
  464   2HD1  LEU  55          2HD1      LEU  55 -20.602  20.473   2.872
  465   3HD1  LEU  55          3HD1      LEU  55 -21.208  21.150   1.361
  466   1HD2  LEU  55          1HD2      LEU  55 -22.148  17.951   0.224
  467   2HD2  LEU  55          2HD2      LEU  55 -22.387  19.698   0.151
  468   3HD2  LEU  55          3HD2      LEU  55 -22.735  18.821   1.642
  469    H    GLN  56           H        GLN  56 -19.531  19.106  -3.462
  470    HA   GLN  56           HA       GLN  56 -16.809  18.503  -3.592
  471   1HB   GLN  56          2HB       GLN  56 -19.003  18.875  -5.537
  472   2HB   GLN  56          1HB       GLN  56 -17.373  19.036  -6.179
  473   1HG   GLN  56          2HG       GLN  56 -16.803  16.832  -5.510
  474   2HG   GLN  56          1HG       GLN  56 -18.288  16.664  -4.578
  475   1HE2  GLN  56          1HE2      GLN  56 -17.466  17.681  -7.881
  476   2HE2  GLN  56          2HE2      GLN  56 -18.600  16.640  -8.665
  477    H    GLY  57           H        GLY  57 -18.511  21.514  -4.277
  478   1HA   GLY  57          2HA       GLY  57 -15.876  22.769  -4.750
  479   2HA   GLY  57          1HA       GLY  57 -17.367  23.327  -5.493
  480    H    LEU  58           H        LEU  58 -18.826  22.914  -2.904
  481    HA   LEU  58           HA       LEU  58 -18.815  25.487  -1.944
  482   1HB   LEU  58          2HB       LEU  58 -19.871  22.924  -1.080
  483   2HB   LEU  58          1HB       LEU  58 -19.470  23.957   0.280
  484    HG   LEU  58           HG       LEU  58 -20.829  25.765  -0.884
  485   1HD1  LEU  58          1HD1      LEU  58 -22.428  23.725  -2.243
  486   2HD1  LEU  58          2HD1      LEU  58 -20.856  24.037  -2.979
  487   3HD1  LEU  58          3HD1      LEU  58 -21.998  25.359  -2.748
  488   1HD2  LEU  58          1HD2      LEU  58 -22.595  25.212   0.415
  489   2HD2  LEU  58          2HD2      LEU  58 -21.487  23.969   1.000
  490   3HD2  LEU  58          3HD2      LEU  58 -22.690  23.572  -0.226
  491    H    GLY  59           H        GLY  59 -16.757  22.802  -0.987
  492   1HA   GLY  59          2HA       GLY  59 -14.652  24.366  -0.095
  493   2HA   GLY  59          1HA       GLY  59 -15.660  24.075   1.314
  494    H    ALA  60           H        ALA  60 -12.923  23.206   0.756
  495    HA   ALA  60           HA       ALA  60 -13.011  20.382   0.234
  496   1HB   ALA  60          1HB       ALA  60 -10.971  21.168  -0.393
  497   2HB   ALA  60          2HB       ALA  60 -10.575  20.674   1.252
  498   3HB   ALA  60          3HB       ALA  60 -10.911  22.369   0.898
  499    H    LEU  61           H        LEU  61 -12.135  22.289   3.126
  500    HA   LEU  61           HA       LEU  61 -12.002  20.137   4.901
  501   1HB   LEU  61          2HB       LEU  61 -12.646  23.045   5.370
  502   2HB   LEU  61          1HB       LEU  61 -12.416  21.893   6.669
  503    HG   LEU  61           HG       LEU  61 -10.325  22.588   4.605
  504   1HD1  LEU  61          1HD1      LEU  61 -11.142  24.270   6.518
  505   2HD1  LEU  61          2HD1      LEU  61  -9.463  24.150   5.994
  506   3HD1  LEU  61          3HD1      LEU  61  -9.995  23.309   7.451
  507   1HD2  LEU  61          1HD2      LEU  61  -8.951  21.492   6.594
  508   2HD2  LEU  61          2HD2      LEU  61  -9.641  20.529   5.288
  509   3HD2  LEU  61          3HD2      LEU  61 -10.475  20.641   6.839
  510    H    GLU  62           H        GLU  62 -14.730  22.124   3.891
  511    HA   GLU  62           HA       GLU  62 -16.579  21.126   5.791
  512   1HB   GLU  62          2HB       GLU  62 -16.653  23.195   4.110
  513   2HB   GLU  62          1HB       GLU  62 -17.535  22.037   3.124
  514   1HG   GLU  62          2HG       GLU  62 -18.633  21.849   5.692
  515   2HG   GLU  62          1HG       GLU  62 -18.427  23.571   5.374
  516    H    ALA  63           H        ALA  63 -15.760  20.185   2.482
  517    HA   ALA  63           HA       ALA  63 -17.775  18.242   2.160
  518   1HB   ALA  63          1HB       ALA  63 -16.310  19.278   0.363
  519   2HB   ALA  63          2HB       ALA  63 -16.618  17.547   0.229
  520   3HB   ALA  63          3HB       ALA  63 -15.071  18.121   0.852
  521    H    THR  64           H        THR  64 -14.451  18.025   3.360
  522    HA   THR  64           HA       THR  64 -14.422  15.213   3.667
  523    HB   THR  64           HB       THR  64 -12.801  17.138   5.323
  524    HG1  THR  64           1HG      THR  64 -12.383  17.906   3.359
  525   1HG2  THR  64          1HG2      THR  64 -12.400  14.868   5.919
  526   2HG2  THR  64          2HG2      THR  64 -11.028  15.436   4.966
  527   3HG2  THR  64          3HG2      THR  64 -12.244  14.395   4.227
  528    H    ALA  65           H        ALA  65 -14.949  17.840   6.011
  529    HA   ALA  65           HA       ALA  65 -15.445  16.174   8.225
  530   1HB   ALA  65          1HB       ALA  65 -16.003  18.094   9.384
  531   2HB   ALA  65          2HB       ALA  65 -16.724  18.864   7.970
  532   3HB   ALA  65          3HB       ALA  65 -14.970  18.727   8.102
  533    H    TRP  66           H        TRP  66 -17.627  17.669   5.864
  534    HA   TRP  66           HA       TRP  66 -20.026  16.767   7.069
  535   1HB   TRP  66          2HB       TRP  66 -19.737  18.617   5.321
  536   2HB   TRP  66          1HB       TRP  66 -19.679  17.324   4.126
  537    HD1  TRP  66           HD       TRP  66 -22.092  18.851   6.722
  538    HE1  TRP  66           1HE      TRP  66 -24.501  18.324   5.985
  539    HE3  TRP  66           3HE      TRP  66 -21.078  15.830   2.723
  540    HZ2  TRP  66           2HZ      TRP  66 -25.799  16.827   3.976
  541    HZ3  TRP  66           3HZ      TRP  66 -22.960  14.892   1.447
  542    HH2  TRP  66           HH       TRP  66 -25.272  15.380   2.061
  543    H    ALA  67           H        ALA  67 -17.937  15.435   4.549
  544    HA   ALA  67           HA       ALA  67 -19.612  13.250   3.878
  545   1HB   ALA  67          1HB       ALA  67 -17.933  13.945   2.327
  546   2HB   ALA  67          2HB       ALA  67 -17.541  12.306   2.848
  547   3HB   ALA  67          3HB       ALA  67 -16.653  13.679   3.509
  548    H    LEU  68           H        LEU  68 -16.981  13.659   6.198
  549    HA   LEU  68           HA       LEU  68 -16.749  10.947   6.941
  550   1HB   LEU  68          2HB       LEU  68 -16.073  13.506   8.379
  551   2HB   LEU  68          1HB       LEU  68 -15.739  11.924   9.058
  552    HG   LEU  68           HG       LEU  68 -14.688  12.615   6.342
  553   1HD1  LEU  68          1HD1      LEU  68 -13.925  14.487   7.546
  554   2HD1  LEU  68          2HD1      LEU  68 -12.582  13.345   7.550
  555   3HD1  LEU  68          3HD1      LEU  68 -13.591  13.525   8.986
  556   1HD2  LEU  68          1HD2      LEU  68 -14.475  10.326   7.050
  557   2HD2  LEU  68          2HD2      LEU  68 -13.770  10.826   8.587
  558   3HD2  LEU  68          3HD2      LEU  68 -12.883  11.087   7.083
  559    H    LYS  69           H        LYS  69 -18.666  13.615   8.269
  560    HA   LYS  69           HA       LYS  69 -19.739  12.138  10.439
  561   1HB   LYS  69          2HB       LYS  69 -19.654  14.655  10.218
  562   2HB   LYS  69          1HB       LYS  69 -21.004  14.528   9.098
  563   1HG   LYS  69          2HG       LYS  69 -22.498  14.035  10.733
  564   2HG   LYS  69          1HG       LYS  69 -21.299  13.224  11.742
  565   1HD   LYS  69          2HD       LYS  69 -21.934  15.248  12.844
  566   2HD   LYS  69          1HD       LYS  69 -20.298  15.467  12.215
  567   1HE   LYS  69          2HE       LYS  69 -20.934  17.059  10.750
  568   2HE   LYS  69          1HE       LYS  69 -22.469  16.265  10.396
  569   1HZ   LYS  69          1HZ       LYS  69 -21.911  17.778  12.888
  570   2HZ   LYS  69          2HZ       LYS  69 -23.399  17.141  12.400
  571   3HZ   LYS  69          3HZ       LYS  69 -22.707  18.423  11.542
  572    H    VAL  70           H        VAL  70 -21.051  12.977   7.240
  573    HA   VAL  70           HA       VAL  70 -23.504  11.601   7.608
  574    HB   VAL  70           HB       VAL  70 -23.230  13.378   5.927
  575   1HG1  VAL  70          1HG1      VAL  70 -20.891  12.425   5.277
  576   2HG1  VAL  70          2HG1      VAL  70 -21.882  13.237   4.065
  577   3HG1  VAL  70          3HG1      VAL  70 -21.817  11.475   4.115
  578   1HG2  VAL  70          1HG2      VAL  70 -24.107  11.790   3.932
  579   2HG2  VAL  70          2HG2      VAL  70 -25.100  12.283   5.304
  580   3HG2  VAL  70          3HG2      VAL  70 -24.308  10.707   5.310
  581    H    ALA  71           H        ALA  71 -20.410  10.692   6.150
  582    HA   ALA  71           HA       ALA  71 -21.141   8.259   5.015
  583   1HB   ALA  71          1HB       ALA  71 -18.524   9.055   6.290
  584   2HB   ALA  71          2HB       ALA  71 -18.972   9.227   4.593
  585   3HB   ALA  71          3HB       ALA  71 -18.760   7.621   5.291
  586    H    GLU  72           H        GLU  72 -20.083   9.004   8.307
  587    HA   GLU  72           HA       GLU  72 -20.216   6.324   9.247
  588   1HB   GLU  72          2HB       GLU  72 -18.866   8.104  10.332
  589   2HB   GLU  72          1HB       GLU  72 -20.354   8.899  10.828
  590   1HG   GLU  72          2HG       GLU  72 -20.411   6.163  11.659
  591   2HG   GLU  72          1HG       GLU  72 -18.908   6.917  12.191
  592    H    ASN  73           H        ASN  73 -22.461   9.034   9.172
  593    HA   ASN  73           HA       ASN  73 -24.441   7.833  10.812
  594   1HB   ASN  73          2HB       ASN  73 -24.148  10.270   9.245
  595   2HB   ASN  73          1HB       ASN  73 -25.785   9.624   9.176
  596   1HD2  ASN  73          1HD2      ASN  73 -26.780  11.114  10.422
  597   2HD2  ASN  73          2HD2      ASN  73 -26.439  11.358  12.099
  598    H    GLU  74           H        GLU  74 -23.937   7.970   7.319
  599    HA   GLU  74           HA       GLU  74 -26.367   6.540   6.745
  600   1HB   GLU  74          2HB       GLU  74 -24.274   7.907   5.226
  601   2HB   GLU  74          1HB       GLU  74 -24.867   6.451   4.439
  602   1HG   GLU  74          2HG       GLU  74 -26.123   8.334   3.663
  603   2HG   GLU  74          1HG       GLU  74 -27.168   7.313   4.649
  604    H    LEU  75           H        LEU  75 -22.902   5.760   6.753
  605    HA   LEU  75           HA       LEU  75 -23.559   2.974   6.128
  606   1HB   LEU  75          2HB       LEU  75 -20.913   4.415   6.188
  607   2HB   LEU  75          1HB       LEU  75 -21.111   2.716   5.803
  608    HG   LEU  75           HG       LEU  75 -22.794   3.757   3.991
  609   1HD1  LEU  75          1HD1      LEU  75 -22.188   6.066   4.847
  610   2HD1  LEU  75          2HD1      LEU  75 -22.063   5.808   3.107
  611   3HD1  LEU  75          3HD1      LEU  75 -20.608   5.813   4.106
  612   1HD2  LEU  75          1HD2      LEU  75 -19.955   3.907   3.200
  613   2HD2  LEU  75          2HD2      LEU  75 -21.292   3.015   2.475
  614   3HD2  LEU  75          3HD2      LEU  75 -20.491   2.386   3.915
  615    H    GLY  76           H        GLY  76 -21.793   4.878   8.564
  616   1HA   GLY  76          2HA       GLY  76 -22.030   4.226  10.903
  617   2HA   GLY  76          1HA       GLY  76 -22.061   2.555  10.368
  618    H    ILE  77           H        ILE  77 -19.775   4.498   8.745
  619    HA   ILE  77           HA       ILE  77 -17.609   3.062  10.029
  620    HB   ILE  77           HB       ILE  77 -17.405   5.117   7.830
  621   1HG1  ILE  77          2HG1      ILE  77 -17.473   2.131   7.427
  622   2HG1  ILE  77          1HG1      ILE  77 -18.943   3.099   7.386
  623   1HG2  ILE  77          1HG2      ILE  77 -15.303   3.933   7.319
  624   2HG2  ILE  77          2HG2      ILE  77 -15.556   2.916   8.738
  625   3HG2  ILE  77          3HG2      ILE  77 -15.304   4.652   8.930
  626   1HD1  ILE  77          1HD1      ILE  77 -18.423   4.051   5.397
  627   2HD1  ILE  77          2HD1      ILE  77 -17.564   2.523   5.206
  628   3HD1  ILE  77          3HD1      ILE  77 -16.684   3.975   5.686
  629    H    THR  78           H        THR  78 -16.696   3.828  11.813
  630    HA   THR  78           HA       THR  78 -17.001   6.539  12.655
  631    HB   THR  78           HB       THR  78 -15.108   4.493  13.809
  632    HG1  THR  78           1HG      THR  78 -17.035   3.471  13.837
  633   1HG2  THR  78          1HG2      THR  78 -15.507   5.606  15.913
  634   2HG2  THR  78          2HG2      THR  78 -16.601   6.745  15.128
  635   3HG2  THR  78          3HG2      THR  78 -14.885   6.750  14.725
  636    HA   PRO  79           HA       PRO  79 -13.598   8.345  10.417
  637   1HB   PRO  79          2HB       PRO  79 -13.545  10.195  12.745
  638   2HB   PRO  79          1HB       PRO  79 -13.638  10.561  11.019
  639   1HG   PRO  79          2HG       PRO  79 -15.785  10.798  12.572
  640   2HG   PRO  79          1HG       PRO  79 -15.920  10.164  10.920
  641   1HD   PRO  79          2HD       PRO  79 -15.982   8.701  13.525
  642   2HD   PRO  79          1HD       PRO  79 -16.905   8.402  12.038
  643    H    VAL  80           H        VAL  80 -11.442   8.050  10.444
  644    HA   VAL  80           HA       VAL  80 -10.202   7.264  13.000
  645    HB   VAL  80           HB       VAL  80  -9.297   6.379  10.262
  646   1HG1  VAL  80          1HG1      VAL  80  -8.604   4.678  12.484
  647   2HG1  VAL  80          2HG1      VAL  80  -8.028   6.324  12.747
  648   3HG1  VAL  80          3HG1      VAL  80  -7.560   5.447  11.289
  649   1HG2  VAL  80          1HG2      VAL  80 -10.265   4.133  11.126
  650   2HG2  VAL  80          2HG2      VAL  80 -11.355   5.325  10.419
  651   3HG2  VAL  80          3HG2      VAL  80 -11.250   5.157  12.171
  652    H    VAL  81           H        VAL  81 -10.080   9.412  10.316
  653    HA   VAL  81           HA       VAL  81  -7.587  10.557  11.374
  654    HB   VAL  81           HB       VAL  81  -8.264  10.476   8.434
  655   1HG1  VAL  81          1HG1      VAL  81  -5.929  11.459  10.035
  656   2HG1  VAL  81          2HG1      VAL  81  -6.857  12.299   8.792
  657   3HG1  VAL  81          3HG1      VAL  81  -5.748  11.005   8.341
  658   1HG2  VAL  81          1HG2      VAL  81  -6.163   8.895   8.505
  659   2HG2  VAL  81          2HG2      VAL  81  -7.788   8.259   8.761
  660   3HG2  VAL  81          3HG2      VAL  81  -6.737   8.574  10.142
  661    H    SER  82           H        SER  82  -7.310  12.855  10.880
  662    HA   SER  82           HA       SER  82  -9.825  14.260  11.138
  663   1HB   SER  82          2HB       SER  82  -7.396  14.683  12.254
  664   2HB   SER  82          1HB       SER  82  -7.313  15.808  10.901
  665    HG   SER  82           HG       SER  82  -9.364  16.637  11.655
  666    H    ALA  83           H        ALA  83 -10.357  16.141   9.840
  667    HA   ALA  83           HA       ALA  83 -10.253  15.603   7.072
  668   1HB   ALA  83          1HB       ALA  83 -11.054  18.159   7.097
  669   2HB   ALA  83          2HB       ALA  83 -11.348  17.745   8.787
  670   3HB   ALA  83          3HB       ALA  83 -12.116  16.811   7.503
  671    H    GLN  84           H        GLN  84  -8.538  17.955   9.099
  672    HA   GLN  84           HA       GLN  84  -7.226  19.378   7.108
  673   1HB   GLN  84          2HB       GLN  84  -5.525  19.891   8.850
  674   2HB   GLN  84          1HB       GLN  84  -7.179  20.133   9.395
  675   1HG   GLN  84          2HG       GLN  84  -6.854  17.634  10.228
  676   2HG   GLN  84          1HG       GLN  84  -5.167  18.142  10.251
  677   1HE2  GLN  84          1HE2      GLN  84  -8.306  18.552  11.651
  678   2HE2  GLN  84          2HE2      GLN  84  -7.809  19.509  13.000
  679    H    ALA  85           H        ALA  85  -6.195  16.420   8.784
  680    HA   ALA  85           HA       ALA  85  -3.698  16.169   7.518
  681   1HB   ALA  85          1HB       ALA  85  -4.358  14.949   9.562
  682   2HB   ALA  85          2HB       ALA  85  -3.697  13.891   8.316
  683   3HB   ALA  85          3HB       ALA  85  -5.439  13.951   8.589
  684    H    VAL  86           H        VAL  86  -6.917  15.029   6.628
  685    HA   VAL  86           HA       VAL  86  -6.079  13.433   4.434
  686    HB   VAL  86           HB       VAL  86  -8.780  14.732   4.813
  687   1HG1  VAL  86          1HG1      VAL  86  -7.694  13.055   2.775
  688   2HG1  VAL  86          2HG1      VAL  86  -9.320  13.723   2.912
  689   3HG1  VAL  86          3HG1      VAL  86  -8.944  12.164   3.645
  690   1HG2  VAL  86          1HG2      VAL  86  -8.457  11.924   5.589
  691   2HG2  VAL  86          2HG2      VAL  86  -9.338  13.228   6.383
  692   3HG2  VAL  86          3HG2      VAL  86  -7.597  13.068   6.617
  693    H    VAL  87           H        VAL  87  -7.492  16.703   4.601
  694    HA   VAL  87           HA       VAL  87  -7.384  17.230   1.843
  695    HB   VAL  87           HB       VAL  87  -7.190  19.278   4.054
  696   1HG1  VAL  87          1HG1      VAL  87  -8.233  19.462   1.229
  697   2HG1  VAL  87          2HG1      VAL  87  -6.732  20.161   1.834
  698   3HG1  VAL  87          3HG1      VAL  87  -8.283  20.753   2.428
  699   1HG2  VAL  87          1HG2      VAL  87  -9.827  19.157   3.196
  700   2HG2  VAL  87          2HG2      VAL  87  -9.190  18.562   4.728
  701   3HG2  VAL  87          3HG2      VAL  87  -9.342  17.468   3.353
  702    H    ALA  88           H        ALA  88  -5.014  17.627   4.405
  703    HA   ALA  88           HA       ALA  88  -3.162  19.040   2.689
  704   1HB   ALA  88          1HB       ALA  88  -1.632  18.784   4.698
  705   2HB   ALA  88          2HB       ALA  88  -3.014  18.069   5.527
  706   3HB   ALA  88          3HB       ALA  88  -3.101  19.729   4.938
  707    H    GLY  89           H        GLY  89  -3.949  15.789   3.281
  708   1HA   GLY  89          2HA       GLY  89  -2.972  13.810   2.658
  709   2HA   GLY  89          1HA       GLY  89  -2.112  14.760   1.455
  710    H    SER  90           H        SER  90  -1.819  15.217   4.925
  711    HA   SER  90           HA       SER  90   1.014  14.480   4.706
  712   1HB   SER  90          2HB       SER  90  -0.046  16.766   5.684
  713   2HB   SER  90          1HB       SER  90   0.031  15.811   7.165
  714    HG   SER  90           HG       SER  90   1.956  17.116   6.514
  715    H    ASP  91           H        ASP  91  -0.893  12.412   4.873
  716    HA   ASP  91           HA       ASP  91   0.139  10.977   7.119
  717   1HB   ASP  91          2HB       ASP  91  -1.932  12.457   7.882
  718   2HB   ASP  91          1HB       ASP  91  -2.841  11.121   7.185
  719    HA   PRO  92           HA       PRO  92  -1.031   8.538   3.309
  720   1HB   PRO  92          2HB       PRO  92   1.255   7.015   3.412
  721   2HB   PRO  92          1HB       PRO  92   1.103   8.518   2.497
  722   1HG   PRO  92          2HG       PRO  92   2.303   8.056   5.197
  723   2HG   PRO  92          1HG       PRO  92   2.886   9.079   3.871
  724   1HD   PRO  92          2HD       PRO  92   1.612  10.115   5.997
  725   2HD   PRO  92          1HD       PRO  92   1.397  10.784   4.366
  726    H    LEU  93           H        LEU  93   0.524   7.419   6.308
  727    HA   LEU  93           HA       LEU  93  -0.367   4.769   6.217
  728   1HB   LEU  93          2HB       LEU  93   0.700   6.590   8.275
  729   2HB   LEU  93          1HB       LEU  93  -0.255   5.254   8.887
  730    HG   LEU  93           HG       LEU  93   1.228   3.671   7.699
  731   1HD1  LEU  93          1HD1      LEU  93   2.387   6.208   6.710
  732   2HD1  LEU  93          2HD1      LEU  93   2.226   4.643   5.911
  733   3HD1  LEU  93          3HD1      LEU  93   3.511   4.902   7.093
  734   1HD2  LEU  93          1HD2      LEU  93   2.676   3.600   9.426
  735   2HD2  LEU  93          2HD2      LEU  93   1.636   4.870  10.073
  736   3HD2  LEU  93          3HD2      LEU  93   3.138   5.293   9.251
  737    H    GLY  94           H        GLY  94  -1.877   7.668   7.571
  738   1HA   GLY  94          2HA       GLY  94  -4.103   6.292   8.708
  739   2HA   GLY  94          1HA       GLY  94  -3.984   8.023   8.432
  740    H    LEU  95           H        LEU  95  -3.570   7.954   5.632
  741    HA   LEU  95           HA       LEU  95  -6.212   7.919   4.711
  742   1HB   LEU  95          2HB       LEU  95  -3.985   8.993   3.762
  743   2HB   LEU  95          1HB       LEU  95  -3.965   7.534   2.790
  744    HG   LEU  95           HG       LEU  95  -5.000   9.261   1.506
  745   1HD1  LEU  95          1HD1      LEU  95  -6.884   8.143   0.815
  746   2HD1  LEU  95          2HD1      LEU  95  -7.388   7.754   2.459
  747   3HD1  LEU  95          3HD1      LEU  95  -6.051   6.877   1.718
  748   1HD2  LEU  95          1HD2      LEU  95  -7.175  10.272   2.396
  749   2HD2  LEU  95          2HD2      LEU  95  -5.659  10.876   3.062
  750   3HD2  LEU  95          3HD2      LEU  95  -6.630   9.725   3.980
  751    H    ILE  96           H        ILE  96  -3.624   5.522   4.407
  752    HA   ILE  96           HA       ILE  96  -5.063   3.735   2.745
  753    HB   ILE  96           HB       ILE  96  -2.823   3.051   4.651
  754   1HG1  ILE  96          2HG1      ILE  96  -2.421   3.596   1.734
  755   2HG1  ILE  96          1HG1      ILE  96  -2.518   4.951   2.854
  756   1HG2  ILE  96          1HG2      ILE  96  -4.028   1.662   2.280
  757   2HG2  ILE  96          2HG2      ILE  96  -3.780   1.043   3.913
  758   3HG2  ILE  96          3HG2      ILE  96  -2.399   1.297   2.844
  759   1HD1  ILE  96          1HD1      ILE  96  -0.512   2.718   2.835
  760   2HD1  ILE  96          2HD1      ILE  96  -0.685   3.859   4.170
  761   3HD1  ILE  96          3HD1      ILE  96  -0.230   4.437   2.566
  762    H    ALA  97           H        ALA  97  -4.656   3.980   6.250
  763    HA   ALA  97           HA       ALA  97  -5.892   1.596   6.999
  764   1HB   ALA  97          1HB       ALA  97  -5.305   4.174   8.314
  765   2HB   ALA  97          2HB       ALA  97  -4.930   2.527   8.821
  766   3HB   ALA  97          3HB       ALA  97  -6.551   3.177   9.065
  767    H    TYR  98           H        TYR  98  -7.297   4.810   6.452
  768    HA   TYR  98           HA       TYR  98  -9.947   4.105   7.132
  769   1HB   TYR  98          2HB       TYR  98  -8.789   6.452   6.736
  770   2HB   TYR  98          1HB       TYR  98  -9.408   6.230   5.102
  771    HD1  TYR  98           1HD      TYR  98 -10.764   5.613   8.537
  772    HD2  TYR  98           2HD      TYR  98 -11.336   7.428   4.732
  773    HE1  TYR  98           1HE      TYR  98 -12.964   6.433   9.266
  774    HE2  TYR  98           2HE      TYR  98 -13.537   8.254   5.449
  775    HH   TYR  98           HH       TYR  98 -14.530   8.299   8.651
  776    H    LEU  99           H        LEU  99  -8.196   4.148   4.059
  777    HA   LEU  99           HA       LEU  99 -10.337   3.583   2.357
  778   1HB   LEU  99          2HB       LEU  99  -7.659   4.009   2.042
  779   2HB   LEU  99          1HB       LEU  99  -7.784   2.304   1.654
  780    HG   LEU  99           HG       LEU  99  -9.453   2.816  -0.075
  781   1HD1  LEU  99          1HD1      LEU  99  -9.257   5.493   1.140
  782   2HD1  LEU  99          2HD1      LEU  99 -10.616   4.700   0.343
  783   3HD1  LEU  99          3HD1      LEU  99  -9.343   5.446  -0.621
  784   1HD2  LEU  99          1HD2      LEU  99  -7.464   2.714  -1.149
  785   2HD2  LEU  99          2HD2      LEU  99  -6.709   3.908  -0.095
  786   3HD2  LEU  99          3HD2      LEU  99  -7.774   4.432  -1.399
  787    H    SER 100           H        SER 100  -8.410   1.491   4.397
  788    HA   SER 100           HA       SER 100  -9.132  -0.984   3.282
  789   1HB   SER 100          2HB       SER 100  -7.312  -0.507   5.014
  790   2HB   SER 100          1HB       SER 100  -8.601  -0.529   6.218
  791    HG   SER 100           HG       SER 100  -9.114  -2.673   5.262
  792    H    HIS 101           H        HIS 101 -10.606   0.917   5.893
  793    HA   HIS 101           HA       HIS 101 -12.627  -0.922   6.553
  794   1HB   HIS 101          2HB       HIS 101 -11.851   1.209   7.805
  795   2HB   HIS 101          1HB       HIS 101 -12.991   2.057   6.765
  796    HD1  HIS 101           1HD      HIS 101 -15.120  -0.368   6.893
  797    HD2  HIS 101           2HD      HIS 101 -13.389   1.641  10.093
  798    HE1  HIS 101           1HE      HIS 101 -16.706  -0.679   8.820
  799    HE2  HIS 101           2HE      HIS 101 -15.683   0.621  10.718
  800    H    PHE 102           H        PHE 102 -12.601   1.817   4.300
  801    HA   PHE 102           HA       PHE 102 -15.304   1.570   3.503
  802   1HB   PHE 102          2HB       PHE 102 -12.892   2.918   2.323
  803   2HB   PHE 102          1HB       PHE 102 -14.411   2.861   1.432
  804    HD1  PHE 102           1HD      PHE 102 -13.587   3.427   5.027
  805    HD2  PHE 102           2HD      PHE 102 -15.427   4.915   1.490
  806    HE1  PHE 102           1HE      PHE 102 -14.383   5.394   6.273
  807    HE2  PHE 102           2HE      PHE 102 -16.226   6.884   2.729
  808    HZ   PHE 102           HZ       PHE 102 -15.705   7.126   5.124
  809    H    HIS 103           H        HIS 103 -12.276   0.369   2.102
  810    HA   HIS 103           HA       HIS 103 -13.425  -0.836  -0.170
  811   1HB   HIS 103          2HB       HIS 103 -11.025  -0.365   0.005
  812   2HB   HIS 103          1HB       HIS 103 -10.876  -1.551   1.297
  813    HD1  HIS 103           1HD      HIS 103  -9.039  -2.393  -0.623
  814    HD2  HIS 103           2HD      HIS 103 -13.075  -3.082  -1.326
  815    HE1  HIS 103           1HE      HIS 103  -9.119  -4.214  -2.356
  816    HE2  HIS 103           2HE      HIS 103 -11.572  -4.680  -2.695
  817    H    SER 104           H        SER 104 -12.442  -2.239   2.953
  818    HA   SER 104           HA       SER 104 -13.299  -4.855   2.414
  819   1HB   SER 104          2HB       SER 104 -11.890  -3.786   4.410
  820   2HB   SER 104          1HB       SER 104 -13.462  -3.830   5.208
  821    HG   SER 104           HG       SER 104 -12.773  -5.804   5.628
  822    H    ALA 105           H        ALA 105 -15.033  -2.019   3.460
  823    HA   ALA 105           HA       ALA 105 -17.382  -3.441   4.302
  824   1HB   ALA 105          1HB       ALA 105 -18.399  -1.222   4.489
  825   2HB   ALA 105          2HB       ALA 105 -16.988  -0.513   3.705
  826   3HB   ALA 105          3HB       ALA 105 -16.825  -1.286   5.283
  827    H    PHE 106           H        PHE 106 -16.336  -1.761   1.382
  828    HA   PHE 106           HA       PHE 106 -18.892  -2.062   0.086
  829   1HB   PHE 106          2HB       PHE 106 -16.237  -1.284  -1.136
  830   2HB   PHE 106          1HB       PHE 106 -17.830  -1.041  -1.840
  831    HD1  PHE 106           1HD      PHE 106 -19.133  -0.153   0.824
  832    HD2  PHE 106           2HD      PHE 106 -15.583   1.008  -1.218
  833    HE1  PHE 106           1HE      PHE 106 -19.257   2.065   1.877
  834    HE2  PHE 106           2HE      PHE 106 -15.701   3.228  -0.166
  835    HZ   PHE 106           HZ       PHE 106 -17.540   3.760   1.383
  836    H    LYS 107           H        LYS 107 -15.773  -3.695   0.038
  837    HA   LYS 107           HA       LYS 107 -16.149  -5.301  -2.214
  838   1HB   LYS 107          2HB       LYS 107 -14.085  -4.966  -0.604
  839   2HB   LYS 107          1HB       LYS 107 -14.735  -6.401   0.177
  840   1HG   LYS 107          2HG       LYS 107 -14.761  -7.157  -2.432
  841   2HG   LYS 107          1HG       LYS 107 -13.340  -6.111  -2.381
  842   1HD   LYS 107          2HD       LYS 107 -12.595  -7.428  -0.360
  843   2HD   LYS 107          1HD       LYS 107 -13.891  -8.567  -0.728
  844   1HE   LYS 107          2HE       LYS 107 -12.130  -9.551  -1.822
  845   2HE   LYS 107          1HE       LYS 107 -12.808  -8.558  -3.111
  846   1HZ   LYS 107          1HZ       LYS 107 -10.455  -7.912  -1.422
  847   2HZ   LYS 107          2HZ       LYS 107 -11.152  -6.839  -2.529
  848   3HZ   LYS 107          3HZ       LYS 107 -10.450  -8.280  -3.074
  849    H    SER 108           H        SER 108 -17.251  -5.696   1.100
  850    HA   SER 108           HA       SER 108 -18.117  -8.374   0.888
  851   1HB   SER 108          2HB       SER 108 -19.190  -6.185   2.686
  852   2HB   SER 108          1HB       SER 108 -19.419  -7.919   2.912
  853    HG   SER 108           HG       SER 108 -17.644  -6.833   4.115
  854    H    MET 109           H        MET 109 -19.573  -5.327  -0.007
  855    HA   MET 109           HA       MET 109 -22.197  -6.438  -0.424
  856   1HB   MET 109          2HB       MET 109 -21.420  -3.949   0.086
  857   2HB   MET 109          1HB       MET 109 -21.371  -3.858  -1.669
  858   1HG   MET 109          2HG       MET 109 -23.501  -3.155  -1.269
  859   2HG   MET 109          1HG       MET 109 -23.768  -4.883  -1.492
  860   1HE   MET 109          1HE       MET 109 -23.393  -1.953   0.970
  861   2HE   MET 109          2HE       MET 109 -22.237  -3.042   1.737
  862   3HE   MET 109          3HE       MET 109 -23.759  -2.661   2.543
  Start of MODEL    8
    1   1H    MET  -8          1HT       MET  -8  -0.083  -4.532  15.215
    2   2H    MET  -8          2HT       MET  -8   1.409  -4.559  16.063
    3   3H    MET  -8          3HT       MET  -8  -0.053  -4.244  16.905
    4    HA   MET  -8           HA       MET  -8   0.416  -6.405  17.409
    5   1HB   MET  -8          2HB       MET  -8  -1.842  -5.710  16.090
    6   2HB   MET  -8          1HB       MET  -8  -1.265  -6.998  15.042
    7   1HG   MET  -8          2HG       MET  -8  -0.993  -8.169  17.459
    8   2HG   MET  -8          1HG       MET  -8  -2.377  -7.117  17.757
    9   1HE   MET  -8          1HE       MET  -8  -5.002  -7.779  16.479
   10   2HE   MET  -8          2HE       MET  -8  -4.684  -8.113  14.776
   11   3HE   MET  -8          3HE       MET  -8  -3.899  -6.747  15.568
   12    H    GLY  -7           H        GLY  -7   0.619  -6.053  13.866
   13   1HA   GLY  -7          2HA       GLY  -7   2.927  -6.842  13.070
   14   2HA   GLY  -7          1HA       GLY  -7   2.453  -8.358  13.823
   15    H    HIS  -6           H        HIS  -6   2.986  -8.973  11.487
   16    HA   HIS  -6           HA       HIS  -6   0.486  -9.402  10.131
   17   1HB   HIS  -6          2HB       HIS  -6   1.218  -7.157   9.295
   18   2HB   HIS  -6          1HB       HIS  -6   2.666  -7.921   8.649
   19    HD1  HIS  -6           1HD      HIS  -6  -0.834  -7.210   7.863
   20    HD2  HIS  -6           2HD      HIS  -6   2.107  -9.824   6.527
   21    HE1  HIS  -6           1HE      HIS  -6  -1.655  -8.070   5.647
   22    HE2  HIS  -6           2HE      HIS  -6   0.103  -9.712   4.897
   23    H    HIS  -5           H        HIS  -5   0.688 -11.557  10.032
   24    HA   HIS  -5           HA       HIS  -5   3.093 -12.973   9.755
   25   1HB   HIS  -5          2HB       HIS  -5   0.243 -13.790   9.169
   26   2HB   HIS  -5          1HB       HIS  -5   1.604 -14.909   9.150
   27    HD1  HIS  -5           1HD      HIS  -5  -0.775 -13.241  11.404
   28    HD2  HIS  -5           2HD      HIS  -5   2.809 -15.320  11.736
   29    HE1  HIS  -5           1HE      HIS  -5  -0.570 -13.847  13.837
   30    HE2  HIS  -5           2HE      HIS  -5   1.566 -15.174  13.998
   31    H    HIS  -4           H        HIS  -4   3.711 -14.383   7.941
   32    HA   HIS  -4           HA       HIS  -4   4.378 -14.684   5.788
   33   1HB   HIS  -4          2HB       HIS  -4   1.638 -14.541   5.703
   34   2HB   HIS  -4          1HB       HIS  -4   2.105 -13.313   4.531
   35    HD1  HIS  -4           1HD      HIS  -4   2.556 -17.005   5.224
   36    HD2  HIS  -4           2HD      HIS  -4   2.932 -14.284   2.105
   37    HE1  HIS  -4           1HE      HIS  -4   2.980 -18.391   3.169
   38    HE2  HIS  -4           2HE      HIS  -4   3.286 -16.719   1.310
   39    H    HIS  -3           H        HIS  -3   4.242 -13.254   3.500
   40    HA   HIS  -3           HA       HIS  -3   5.131 -11.477   2.396
   41   1HB   HIS  -3          2HB       HIS  -3   3.242 -10.338   3.767
   42   2HB   HIS  -3          1HB       HIS  -3   4.555  -9.717   4.762
   43    HD1  HIS  -3           1HD      HIS  -3   6.209  -8.038   3.614
   44    HD2  HIS  -3           2HD      HIS  -3   2.924  -9.108   1.306
   45    HE1  HIS  -3           1HE      HIS  -3   6.128  -6.362   1.741
   46    HE2  HIS  -3           2HE      HIS  -3   4.192  -7.089   0.303
   47    H    HIS  -2           H        HIS  -2   7.137 -10.603   2.117
   48    HA   HIS  -2           HA       HIS  -2   8.906 -10.423   4.450
   49   1HB   HIS  -2          2HB       HIS  -2   9.309 -12.097   1.996
   50   2HB   HIS  -2          1HB       HIS  -2  10.706 -11.417   2.827
   51    HD1  HIS  -2           1HD      HIS  -2  11.381 -12.467   5.049
   52    HD2  HIS  -2           2HD      HIS  -2   7.890 -14.066   3.461
   53    HE1  HIS  -2           1HE      HIS  -2  10.889 -14.513   6.428
   54    HE2  HIS  -2           2HE      HIS  -2   8.732 -15.420   5.499
   55    H    HIS  -1           H        HIS  -1   9.076 -10.046   0.903
   56    HA   HIS  -1           HA       HIS  -1  10.010  -7.288   1.334
   57   1HB   HIS  -1          2HB       HIS  -1  11.129  -9.368  -0.543
   58   2HB   HIS  -1          1HB       HIS  -1  11.443  -7.647  -0.741
   59    HD1  HIS  -1           1HD      HIS  -1  11.430  -7.834   2.709
   60    HD2  HIS  -1           2HD      HIS  -1  14.067  -9.278  -0.160
   61    HE1  HIS  -1           1HE      HIS  -1  13.612  -8.175   3.912
   62    HE2  HIS  -1           2HE      HIS  -1  15.166  -9.133   2.176
   63    H    MET   0           H        MET   0   9.720  -5.882  -0.573
   64    HA   MET   0           HA       MET   0   8.393  -4.910  -2.142
   65   1HB   MET   0          2HB       MET   0   8.729  -7.661  -2.983
   66   2HB   MET   0          1HB       MET   0   7.173  -7.029  -3.507
   67   1HG   MET   0          2HG       MET   0   8.135  -5.394  -4.826
   68   2HG   MET   0          1HG       MET   0   9.666  -5.448  -3.956
   69   1HE   MET   0          1HE       MET   0  11.548  -8.401  -5.415
   70   2HE   MET   0          2HE       MET   0  10.695  -8.339  -3.874
   71   3HE   MET   0          3HE       MET   0  11.588  -6.929  -4.446
   72    H    GLY   1           H        GLY   1   6.852  -3.985  -0.845
   73   1HA   GLY   1          2HA       GLY   1   4.191  -4.986  -1.096
   74   2HA   GLY   1          1HA       GLY   1   4.799  -5.200   0.540
   75    H    SER   2           H        SER   2   5.608  -2.528  -1.600
   76    HA   SER   2           HA       SER   2   3.960  -0.736   0.044
   77   1HB   SER   2          2HB       SER   2   6.730   0.045  -0.846
   78   2HB   SER   2          1HB       SER   2   5.717   0.803   0.383
   79    HG   SER   2           HG       SER   2   7.572  -0.849   0.884
   80    H    ALA   3           H        ALA   3   5.912  -1.045  -2.906
   81    HA   ALA   3           HA       ALA   3   4.426   1.107  -4.180
   82   1HB   ALA   3          1HB       ALA   3   6.521  -0.599  -5.491
   83   2HB   ALA   3          2HB       ALA   3   6.938   0.736  -4.417
   84   3HB   ALA   3          3HB       ALA   3   6.026   1.045  -5.894
   85    H    GLY   4           H        GLY   4   4.626  -2.380  -4.218
   86   1HA   GLY   4          2HA       GLY   4   3.033  -2.641  -6.620
   87   2HA   GLY   4          1HA       GLY   4   3.592  -3.949  -5.589
   88    H    THR   5           H        THR   5   2.480  -2.578  -3.183
   89    HA   THR   5           HA       THR   5  -0.186  -3.678  -3.405
   90    HB   THR   5           HB       THR   5  -0.324  -3.224  -0.980
   91    HG1  THR   5           1HG      THR   5   2.322  -2.242  -1.224
   92   1HG2  THR   5          1HG2      THR   5   1.376  -5.065  -2.191
   93   2HG2  THR   5          2HG2      THR   5   0.750  -5.103  -0.543
   94   3HG2  THR   5          3HG2      THR   5   2.313  -4.355  -0.875
   95    H    GLN   6           H        GLN   6   1.295  -0.524  -2.769
   96    HA   GLN   6           HA       GLN   6  -1.097   0.901  -2.357
   97   1HB   GLN   6          2HB       GLN   6   1.392   1.575  -1.940
   98   2HB   GLN   6          1HB       GLN   6   1.318   2.175  -3.591
   99   1HG   GLN   6          2HG       GLN   6  -0.737   3.481  -2.855
  100   2HG   GLN   6          1HG       GLN   6  -0.255   3.082  -1.207
  101   1HE2  GLN   6          1HE2      GLN   6   0.929   4.552  -0.240
  102   2HE2  GLN   6          2HE2      GLN   6   1.977   5.691  -1.007
  103    H    GLU   7           H        GLU   7   0.633  -0.004  -5.263
  104    HA   GLU   7           HA       GLU   7  -0.629   1.741  -7.067
  105   1HB   GLU   7          2HB       GLU   7   0.710  -0.932  -7.381
  106   2HB   GLU   7          1HB       GLU   7  -0.037  -0.124  -8.753
  107   1HG   GLU   7          2HG       GLU   7   1.888   1.409  -7.091
  108   2HG   GLU   7          1HG       GLU   7   2.513   0.178  -8.189
  109    H    GLU   8           H        GLU   8  -1.446  -1.581  -6.098
  110    HA   GLU   8           HA       GLU   8  -3.707  -1.806  -7.782
  111   1HB   GLU   8          2HB       GLU   8  -4.287  -3.765  -6.446
  112   2HB   GLU   8          1HB       GLU   8  -2.572  -3.764  -6.834
  113   1HG   GLU   8          2HG       GLU   8  -1.941  -3.332  -4.665
  114   2HG   GLU   8          1HG       GLU   8  -3.496  -2.616  -4.243
  115    H    LEU   9           H        LEU   9  -3.235  -0.506  -4.573
  116    HA   LEU   9           HA       LEU   9  -5.951  -0.420  -3.792
  117   1HB   LEU   9          2HB       LEU   9  -3.909  -0.153  -2.314
  118   2HB   LEU   9          1HB       LEU   9  -3.791   1.490  -2.915
  119    HG   LEU   9           HG       LEU   9  -6.260   1.689  -2.079
  120   1HD1  LEU   9          1HD1      LEU   9  -6.738  -0.549  -1.505
  121   2HD1  LEU   9          2HD1      LEU   9  -6.528   0.305   0.023
  122   3HD1  LEU   9          3HD1      LEU   9  -5.235  -0.719  -0.601
  123   1HD2  LEU   9          1HD2      LEU   9  -3.736   1.749  -0.474
  124   2HD2  LEU   9          2HD2      LEU   9  -5.286   2.122   0.285
  125   3HD2  LEU   9          3HD2      LEU   9  -4.713   3.087  -1.075
  126    H    LEU  10           H        LEU  10  -3.827   2.028  -5.260
  127    HA   LEU  10           HA       LEU  10  -5.735   4.084  -5.391
  128   1HB   LEU  10          2HB       LEU  10  -3.143   3.498  -6.719
  129   2HB   LEU  10          1HB       LEU  10  -4.168   4.711  -7.463
  130    HG   LEU  10           HG       LEU  10  -3.727   5.011  -4.554
  131   1HD1  LEU  10          1HD1      LEU  10  -1.507   4.653  -4.776
  132   2HD1  LEU  10          2HD1      LEU  10  -1.540   6.303  -5.398
  133   3HD1  LEU  10          3HD1      LEU  10  -1.523   4.939  -6.516
  134   1HD2  LEU  10          1HD2      LEU  10  -4.984   6.708  -5.543
  135   2HD2  LEU  10          2HD2      LEU  10  -3.940   6.783  -6.962
  136   3HD2  LEU  10          3HD2      LEU  10  -3.367   7.401  -5.413
  137    H    ARG  11           H        ARG  11  -5.021   1.407  -7.541
  138    HA   ARG  11           HA       ARG  11  -6.511   2.288  -9.768
  139   1HB   ARG  11          2HB       ARG  11  -5.657  -0.443  -8.827
  140   2HB   ARG  11          1HB       ARG  11  -6.589  -0.218 -10.301
  141   1HG   ARG  11          2HG       ARG  11  -4.315   1.555 -10.233
  142   2HG   ARG  11          1HG       ARG  11  -3.824  -0.127 -10.025
  143   1HD   ARG  11          2HD       ARG  11  -4.803  -0.771 -12.070
  144   2HD   ARG  11          1HD       ARG  11  -5.711   0.735 -12.199
  145    HE   ARG  11           HE       ARG  11  -3.091   1.507 -12.206
  146   1HH1  ARG  11          1HH1      ARG  11  -5.022  -0.668 -14.133
  147   2HH1  ARG  11          2HH1      ARG  11  -4.087  -0.425 -15.571
  148   1HH2  ARG  11          1HH2      ARG  11  -1.862   1.828 -14.095
  149   2HH2  ARG  11          2HH2      ARG  11  -2.293   0.992 -15.549
  150    H    TRP  12           H        TRP  12  -7.386   0.367  -6.935
  151    HA   TRP  12           HA       TRP  12 -10.011  -0.266  -7.789
  152   1HB   TRP  12          2HB       TRP  12  -8.828  -1.513  -6.016
  153   2HB   TRP  12          1HB       TRP  12  -8.916  -0.096  -4.974
  154    HD1  TRP  12           HD       TRP  12 -11.233  -2.707  -6.626
  155    HE1  TRP  12           1HE      TRP  12 -13.380  -2.878  -5.216
  156    HE3  TRP  12           3HE      TRP  12 -10.321   1.059  -3.290
  157    HZ2  TRP  12           2HZ      TRP  12 -14.534  -1.588  -2.987
  158    HZ3  TRP  12           3HZ      TRP  12 -11.997   1.526  -1.550
  159    HH2  TRP  12           HH       TRP  12 -14.060   0.230  -1.404
  160    H    CYS  13           H        CYS  13  -8.688   2.337  -5.788
  161    HA   CYS  13           HA       CYS  13 -11.138   3.487  -5.033
  162   1HB   CYS  13          2HB       CYS  13  -8.723   3.944  -4.174
  163   2HB   CYS  13          1HB       CYS  13  -8.667   5.134  -5.469
  164    HG   CYS  13           HG       CYS  13 -11.039   5.477  -3.573
  165    H    GLN  14           H        GLN  14  -8.983   4.178  -7.768
  166    HA   GLN  14           HA       GLN  14 -10.445   6.331  -8.820
  167   1HB   GLN  14          2HB       GLN  14  -8.105   5.693  -9.449
  168   2HB   GLN  14          1HB       GLN  14  -8.771   4.358 -10.379
  169   1HG   GLN  14          2HG       GLN  14 -10.190   6.439 -11.374
  170   2HG   GLN  14          1HG       GLN  14  -8.656   7.220 -10.997
  171   1HE2  GLN  14          1HE2      GLN  14  -9.707   6.863 -13.589
  172   2HE2  GLN  14          2HE2      GLN  14  -8.636   5.826 -14.461
  173    H    GLU  15           H        GLU  15 -10.670   2.848  -9.388
  174    HA   GLU  15           HA       GLU  15 -12.556   2.990 -11.491
  175   1HB   GLU  15          2HB       GLU  15 -11.072   0.997 -10.492
  176   2HB   GLU  15          1HB       GLU  15 -12.583   0.643  -9.667
  177   1HG   GLU  15          2HG       GLU  15 -13.602  -0.051 -11.544
  178   2HG   GLU  15          1HG       GLU  15 -12.819   1.169 -12.549
  179    H    GLN  16           H        GLN  16 -12.909   2.534  -7.990
  180    HA   GLN  16           HA       GLN  16 -15.730   2.294  -8.016
  181   1HB   GLN  16          2HB       GLN  16 -13.864   1.829  -6.148
  182   2HB   GLN  16          1HB       GLN  16 -14.397   3.417  -5.613
  183   1HG   GLN  16          2HG       GLN  16 -15.617   1.706  -4.444
  184   2HG   GLN  16          1HG       GLN  16 -16.706   2.590  -5.513
  185   1HE2  GLN  16          1HE2      GLN  16 -15.465  -0.437  -4.641
  186   2HE2  GLN  16          2HE2      GLN  16 -16.223  -1.376  -5.877
  187    H    THR  17           H        THR  17 -13.559   5.018  -7.977
  188    HA   THR  17           HA       THR  17 -15.675   6.898  -7.328
  189    HB   THR  17           HB       THR  17 -12.790   7.394  -8.087
  190    HG1  THR  17           1HG      THR  17 -13.148   6.222  -6.101
  191   1HG2  THR  17          1HG2      THR  17 -13.642   9.454  -6.470
  192   2HG2  THR  17          2HG2      THR  17 -14.988   9.207  -7.582
  193   3HG2  THR  17          3HG2      THR  17 -13.372   9.527  -8.210
  194    H    ALA  18           H        ALA  18 -15.130   5.231 -10.005
  195    HA   ALA  18           HA       ALA  18 -15.085   7.340 -11.968
  196   1HB   ALA  18          1HB       ALA  18 -15.924   4.632 -12.782
  197   2HB   ALA  18          2HB       ALA  18 -14.317   4.767 -12.068
  198   3HB   ALA  18          3HB       ALA  18 -14.730   5.715 -13.496
  199    H    GLY  19           H        GLY  19 -16.781   8.342 -12.863
  200   1HA   GLY  19          2HA       GLY  19 -19.162   7.603 -13.707
  201   2HA   GLY  19          1HA       GLY  19 -19.455   7.548 -11.976
  202    H    TYR  20           H        TYR  20 -17.560   9.870 -11.623
  203    HA   TYR  20           HA       TYR  20 -19.556  11.931 -12.078
  204   1HB   TYR  20          2HB       TYR  20 -16.901  12.229 -10.679
  205   2HB   TYR  20          1HB       TYR  20 -18.313  13.270 -10.537
  206    HD1  TYR  20           1HD      TYR  20 -19.988  12.824  -8.935
  207    HD2  TYR  20           2HD      TYR  20 -17.027   9.882  -9.750
  208    HE1  TYR  20           1HE      TYR  20 -20.768  11.514  -7.008
  209    HE2  TYR  20           2HE      TYR  20 -17.800   8.562  -7.826
  210    HH   TYR  20           HH       TYR  20 -20.065   8.361  -6.526
  211    HA   PRO  21           HA       PRO  21 -17.399  13.208 -15.801
  212   1HB   PRO  21          2HB       PRO  21 -19.195  15.536 -15.707
  213   2HB   PRO  21          1HB       PRO  21 -19.043  14.287 -16.944
  214   1HG   PRO  21          2HG       PRO  21 -21.184  14.428 -15.327
  215   2HG   PRO  21          1HG       PRO  21 -20.534  12.878 -15.894
  216   1HD   PRO  21          2HD       PRO  21 -20.187  14.222 -13.239
  217   2HD   PRO  21          1HD       PRO  21 -20.474  12.508 -13.607
  218    H    GLY  22           H        GLY  22 -15.759  13.694 -13.828
  219   1HA   GLY  22          2HA       GLY  22 -14.189  15.761 -14.360
  220   2HA   GLY  22          1HA       GLY  22 -15.444  16.567 -13.430
  221    H    VAL  23           H        VAL  23 -14.159  13.317 -12.905
  222    HA   VAL  23           HA       VAL  23 -13.069  14.255 -10.338
  223    HB   VAL  23           HB       VAL  23 -15.122  12.893 -10.068
  224   1HG1  VAL  23          1HG1      VAL  23 -13.732  10.391 -10.761
  225   2HG1  VAL  23          2HG1      VAL  23 -14.228  11.397 -12.122
  226   3HG1  VAL  23          3HG1      VAL  23 -15.426  10.841 -10.953
  227   1HG2  VAL  23          1HG2      VAL  23 -13.290  12.967  -8.370
  228   2HG2  VAL  23          2HG2      VAL  23 -12.675  11.459  -9.050
  229   3HG2  VAL  23          3HG2      VAL  23 -14.277  11.506  -8.313
  230    H    HIS  24           H        HIS  24 -10.956  14.023 -10.187
  231    HA   HIS  24           HA       HIS  24  -9.626  11.973 -11.828
  232   1HB   HIS  24          2HB       HIS  24  -8.616  14.620 -10.775
  233   2HB   HIS  24          1HB       HIS  24  -7.574  13.412 -11.519
  234    HD1  HIS  24           1HD      HIS  24  -7.336  15.764 -13.074
  235    HD2  HIS  24           2HD      HIS  24 -10.689  13.358 -13.550
  236    HE1  HIS  24           1HE      HIS  24  -8.278  16.364 -15.327
  237    HE2  HIS  24           2HE      HIS  24 -10.356  14.958 -15.556
  238    H    VAL  25           H        VAL  25  -9.259  10.221 -10.624
  239    HA   VAL  25           HA       VAL  25  -8.288  10.602  -7.868
  240    HB   VAL  25           HB       VAL  25  -9.568   8.110  -8.986
  241   1HG1  VAL  25          1HG1      VAL  25  -8.779   8.985  -6.219
  242   2HG1  VAL  25          2HG1      VAL  25  -8.227   7.570  -7.115
  243   3HG1  VAL  25          3HG1      VAL  25  -9.886   7.646  -6.522
  244   1HG2  VAL  25          1HG2      VAL  25 -11.406   9.045  -7.268
  245   2HG2  VAL  25          2HG2      VAL  25 -11.430   9.397  -8.997
  246   3HG2  VAL  25          3HG2      VAL  25 -10.756  10.572  -7.868
  247    H    SER  26           H        SER  26  -6.096  10.767  -8.363
  248    HA   SER  26           HA       SER  26  -4.806   8.223  -8.892
  249   1HB   SER  26          2HB       SER  26  -5.164   9.821 -11.050
  250   2HB   SER  26          1HB       SER  26  -3.623  10.441 -10.454
  251    HG   SER  26           HG       SER  26  -4.271   7.837 -11.325
  252    H    ASP  27           H        ASP  27  -5.120  10.353  -6.752
  253    HA   ASP  27           HA       ASP  27  -2.283  10.456  -6.043
  254   1HB   ASP  27          2HB       ASP  27  -4.094  12.827  -5.590
  255   2HB   ASP  27          1HB       ASP  27  -2.348  12.745  -5.385
  256    H    LEU  28           H        LEU  28  -1.855  10.208  -3.874
  257    HA   LEU  28           HA       LEU  28  -4.127   9.353  -2.251
  258   1HB   LEU  28          2HB       LEU  28  -1.155   8.964  -2.037
  259   2HB   LEU  28          1HB       LEU  28  -2.220   8.607  -0.690
  260    HG   LEU  28           HG       LEU  28  -2.481   7.338  -3.414
  261   1HD1  LEU  28          1HD1      LEU  28  -0.385   6.906  -1.787
  262   2HD1  LEU  28          2HD1      LEU  28  -1.094   5.664  -2.819
  263   3HD1  LEU  28          3HD1      LEU  28  -1.540   5.755  -1.116
  264   1HD2  LEU  28          1HD2      LEU  28  -3.967   7.171  -0.866
  265   2HD2  LEU  28          2HD2      LEU  28  -3.667   5.654  -1.711
  266   3HD2  LEU  28          3HD2      LEU  28  -4.527   6.961  -2.524
  267    H    SER  29           H        SER  29  -3.843  12.143  -2.698
  268    HA   SER  29           HA       SER  29  -3.978  13.071  -0.013
  269   1HB   SER  29          2HB       SER  29  -1.611  13.156  -0.015
  270   2HB   SER  29          1HB       SER  29  -1.555  13.792  -1.660
  271    HG   SER  29           HG       SER  29  -2.757  15.208   0.473
  272    H    SER  30           H        SER  30  -2.873  14.785  -2.920
  273    HA   SER  30           HA       SER  30  -4.665  16.907  -2.665
  274   1HB   SER  30          2HB       SER  30  -2.712  17.177  -4.029
  275   2HB   SER  30          1HB       SER  30  -3.195  15.846  -5.082
  276    HG   SER  30           HG       SER  30  -3.706  18.346  -5.466
  277    H    SER  31           H        SER  31  -5.163  13.731  -3.891
  278    HA   SER  31           HA       SER  31  -7.341  14.271  -5.624
  279   1HB   SER  31          2HB       SER  31  -5.876  12.113  -5.357
  280   2HB   SER  31          1HB       SER  31  -7.088  11.669  -4.155
  281    HG   SER  31           HG       SER  31  -7.422  12.129  -6.919
  282    H    TRP  32           H        TRP  32  -7.055  14.003  -2.186
  283    HA   TRP  32           HA       TRP  32  -9.983  13.942  -1.917
  284   1HB   TRP  32          2HB       TRP  32  -8.012  13.527   0.324
  285   2HB   TRP  32          1HB       TRP  32  -9.710  13.069   0.266
  286    HD1  TRP  32           HD       TRP  32  -6.504  12.148  -1.740
  287    HE1  TRP  32           1HE      TRP  32  -6.571   9.618  -2.208
  288    HE3  TRP  32           3HE      TRP  32 -10.994  11.040   0.437
  289    HZ2  TRP  32           2HZ      TRP  32  -8.300   7.440  -1.718
  290    HZ3  TRP  32           3HZ      TRP  32 -11.783   8.709   0.394
  291    HH2  TRP  32           HH       TRP  32 -10.464   6.948  -0.662
  292    H    ALA  33           H        ALA  33  -8.000  16.264  -2.440
  293    HA   ALA  33           HA       ALA  33  -7.877  17.957  -0.244
  294   1HB   ALA  33          1HB       ALA  33  -7.725  18.284  -3.164
  295   2HB   ALA  33          2HB       ALA  33  -6.652  18.874  -1.895
  296   3HB   ALA  33          3HB       ALA  33  -8.146  19.736  -2.257
  297    H    ASP  34           H        ASP  34 -10.306  18.090  -2.863
  298    HA   ASP  34           HA       ASP  34 -12.035  19.718  -1.200
  299   1HB   ASP  34          2HB       ASP  34 -13.527  19.689  -3.230
  300   2HB   ASP  34          1HB       ASP  34 -11.923  20.361  -3.503
  301    H    GLY  35           H        GLY  35 -11.426  16.558  -1.126
  302   1HA   GLY  35          2HA       GLY  35 -12.582  14.824  -0.146
  303   2HA   GLY  35          1HA       GLY  35 -13.934  15.920   0.089
  304    H    LEU  36           H        LEU  36 -12.526  15.372  -3.059
  305    HA   LEU  36           HA       LEU  36 -15.032  14.639  -4.172
  306   1HB   LEU  36          2HB       LEU  36 -12.514  15.451  -5.126
  307   2HB   LEU  36          1HB       LEU  36 -12.812  13.880  -5.845
  308    HG   LEU  36           HG       LEU  36 -13.570  15.665  -7.314
  309   1HD1  LEU  36          1HD1      LEU  36 -15.406  14.550  -7.990
  310   2HD1  LEU  36          2HD1      LEU  36 -16.164  14.615  -6.400
  311   3HD1  LEU  36          3HD1      LEU  36 -14.921  13.411  -6.734
  312   1HD2  LEU  36          1HD2      LEU  36 -14.888  16.594  -4.837
  313   2HD2  LEU  36          2HD2      LEU  36 -15.794  16.788  -6.337
  314   3HD2  LEU  36          3HD2      LEU  36 -14.196  17.516  -6.172
  315    H    ALA  37           H        ALA  37 -12.097  12.806  -3.398
  316    HA   ALA  37           HA       ALA  37 -13.044  10.332  -4.404
  317   1HB   ALA  37          1HB       ALA  37 -10.663  11.324  -3.195
  318   2HB   ALA  37          2HB       ALA  37 -10.901   9.847  -4.127
  319   3HB   ALA  37          3HB       ALA  37 -11.140   9.834  -2.381
  320    H    LEU  38           H        LEU  38 -12.909  11.669  -1.106
  321    HA   LEU  38           HA       LEU  38 -13.954   9.416   0.200
  322   1HB   LEU  38          2HB       LEU  38 -13.201  12.073   0.883
  323   2HB   LEU  38          1HB       LEU  38 -14.791  11.775   1.562
  324    HG   LEU  38           HG       LEU  38 -12.311  10.123   2.050
  325   1HD1  LEU  38          1HD1      LEU  38 -12.871  12.510   3.146
  326   2HD1  LEU  38          2HD1      LEU  38 -12.029  11.218   4.000
  327   3HD1  LEU  38          3HD1      LEU  38 -13.760  11.454   4.244
  328   1HD2  LEU  38          1HD2      LEU  38 -14.007   8.559   2.193
  329   2HD2  LEU  38          2HD2      LEU  38 -15.181   9.733   2.786
  330   3HD2  LEU  38          3HD2      LEU  38 -13.903   9.149   3.852
  331    H    CYS  39           H        CYS  39 -15.600  12.315  -1.052
  332    HA   CYS  39           HA       CYS  39 -18.185  11.436  -0.242
  333   1HB   CYS  39          2HB       CYS  39 -17.128  13.820  -1.149
  334   2HB   CYS  39          1HB       CYS  39 -18.155  13.310  -2.485
  335    HG   CYS  39           HG       CYS  39 -19.318  14.774  -0.440
  336    H    ALA  40           H        ALA  40 -16.324  11.216  -3.227
  337    HA   ALA  40           HA       ALA  40 -18.334  10.298  -4.935
  338   1HB   ALA  40          1HB       ALA  40 -16.325   9.117  -6.086
  339   2HB   ALA  40          2HB       ALA  40 -15.361   9.984  -4.891
  340   3HB   ALA  40          3HB       ALA  40 -16.377  10.878  -6.021
  341    H    LEU  41           H        LEU  41 -16.289   8.579  -2.637
  342    HA   LEU  41           HA       LEU  41 -17.105   5.963  -3.401
  343   1HB   LEU  41          2HB       LEU  41 -15.875   7.013  -0.853
  344   2HB   LEU  41          1HB       LEU  41 -16.140   5.311  -1.180
  345    HG   LEU  41           HG       LEU  41 -14.582   6.816  -3.203
  346   1HD1  LEU  41          1HD1      LEU  41 -13.009   5.848  -0.904
  347   2HD1  LEU  41          2HD1      LEU  41 -13.900   7.352  -0.663
  348   3HD1  LEU  41          3HD1      LEU  41 -12.731   7.220  -1.978
  349   1HD2  LEU  41          1HD2      LEU  41 -13.253   4.677  -3.073
  350   2HD2  LEU  41          2HD2      LEU  41 -14.929   4.505  -3.599
  351   3HD2  LEU  41          3HD2      LEU  41 -14.475   4.083  -1.948
  352    H    VAL  42           H        VAL  42 -18.009   8.072  -0.680
  353    HA   VAL  42           HA       VAL  42 -19.920   6.385   0.468
  354    HB   VAL  42           HB       VAL  42 -20.004   9.404   0.456
  355   1HG1  VAL  42          1HG1      VAL  42 -21.086   9.072   2.671
  356   2HG1  VAL  42          2HG1      VAL  42 -21.132   7.340   2.343
  357   3HG1  VAL  42          3HG1      VAL  42 -22.035   8.457   1.317
  358   1HG2  VAL  42          1HG2      VAL  42 -17.879   7.901   1.285
  359   2HG2  VAL  42          2HG2      VAL  42 -18.815   8.062   2.769
  360   3HG2  VAL  42          3HG2      VAL  42 -18.290   9.502   1.897
  361    H    TYR  43           H        TYR  43 -20.269   8.909  -1.996
  362    HA   TYR  43           HA       TYR  43 -23.051   8.835  -2.251
  363   1HB   TYR  43          2HB       TYR  43 -21.692  10.609  -3.236
  364   2HB   TYR  43          1HB       TYR  43 -20.956   9.455  -4.343
  365    HD1  TYR  43           1HD      TYR  43 -24.177  11.068  -3.444
  366    HD2  TYR  43           2HD      TYR  43 -21.974   8.949  -6.403
  367    HE1  TYR  43           1HE      TYR  43 -25.955  11.516  -5.081
  368    HE2  TYR  43           2HE      TYR  43 -23.744   9.393  -8.049
  369    HH   TYR  43           HH       TYR  43 -26.139   9.930  -8.079
  370    H    ARG  44           H        ARG  44 -20.539   6.865  -3.740
  371    HA   ARG  44           HA       ARG  44 -22.158   5.547  -5.624
  372   1HB   ARG  44          2HB       ARG  44 -19.460   5.397  -4.710
  373   2HB   ARG  44          1HB       ARG  44 -20.124   3.770  -4.711
  374   1HG   ARG  44          2HG       ARG  44 -20.635   5.421  -7.110
  375   2HG   ARG  44          1HG       ARG  44 -18.979   4.871  -6.846
  376   1HD   ARG  44          2HD       ARG  44 -19.792   3.100  -8.037
  377   2HD   ARG  44          1HD       ARG  44 -20.184   2.566  -6.404
  378    HE   ARG  44           HE       ARG  44 -22.410   2.784  -6.902
  379   1HH1  ARG  44          1HH1      ARG  44 -20.534   4.410  -9.354
  380   2HH1  ARG  44          2HH1      ARG  44 -21.895   4.690 -10.388
  381   1HH2  ARG  44          1HH2      ARG  44 -24.201   3.149  -8.261
  382   2HH2  ARG  44          2HH2      ARG  44 -23.977   3.974  -9.767
  383    H    LEU  45           H        LEU  45 -21.370   4.804  -2.258
  384    HA   LEU  45           HA       LEU  45 -22.807   2.325  -2.247
  385   1HB   LEU  45          2HB       LEU  45 -21.327   3.974  -0.290
  386   2HB   LEU  45          1HB       LEU  45 -22.597   2.961   0.373
  387    HG   LEU  45           HG       LEU  45 -20.274   1.970   0.364
  388   1HD1  LEU  45          1HD1      LEU  45 -21.771   0.323   0.762
  389   2HD1  LEU  45          2HD1      LEU  45 -21.255  -0.205  -0.840
  390   3HD1  LEU  45          3HD1      LEU  45 -22.748   0.717  -0.653
  391   1HD2  LEU  45          1HD2      LEU  45 -20.776   1.486  -2.558
  392   2HD2  LEU  45          2HD2      LEU  45 -19.308   1.185  -1.627
  393   3HD2  LEU  45          3HD2      LEU  45 -19.802   2.839  -1.983
  394    H    GLN  46           H        GLN  46 -23.500   5.652  -1.320
  395    HA   GLN  46           HA       GLN  46 -26.342   4.969  -1.197
  396   1HB   GLN  46          2HB       GLN  46 -24.812   5.468   1.103
  397   2HB   GLN  46          1HB       GLN  46 -25.718   6.947   0.820
  398   1HG   GLN  46          2HG       GLN  46 -27.085   5.689   2.215
  399   2HG   GLN  46          1HG       GLN  46 -27.768   5.447   0.608
  400   1HE2  GLN  46          1HE2      GLN  46 -28.689   3.490   0.930
  401   2HE2  GLN  46          2HE2      GLN  46 -27.804   2.049   1.289
  402    HA   PRO  47           HA       PRO  47 -25.487   8.766  -3.724
  403   1HB   PRO  47          2HB       PRO  47 -27.221   8.121  -5.714
  404   2HB   PRO  47          1HB       PRO  47 -25.544   7.563  -5.679
  405   1HG   PRO  47          2HG       PRO  47 -28.038   6.118  -4.869
  406   2HG   PRO  47          1HG       PRO  47 -26.649   5.521  -5.797
  407   1HD   PRO  47          2HD       PRO  47 -26.969   4.986  -3.166
  408   2HD   PRO  47          1HD       PRO  47 -25.369   5.186  -3.908
  409    H    GLY  48           H        GLY  48 -28.262   7.291  -2.306
  410   1HA   GLY  48          2HA       GLY  48 -30.019   9.531  -2.897
  411   2HA   GLY  48          1HA       GLY  48 -30.433   8.091  -1.980
  412    H    LEU  49           H        LEU  49 -27.850   8.590  -0.390
  413    HA   LEU  49           HA       LEU  49 -28.988  10.670   1.363
  414   1HB   LEU  49          2HB       LEU  49 -27.578   8.097   1.998
  415   2HB   LEU  49          1HB       LEU  49 -27.646   9.405   3.165
  416    HG   LEU  49           HG       LEU  49 -30.003   7.931   1.992
  417   1HD1  LEU  49          1HD1      LEU  49 -28.910   6.588   3.627
  418   2HD1  LEU  49          2HD1      LEU  49 -30.341   7.288   4.384
  419   3HD1  LEU  49          3HD1      LEU  49 -28.747   7.959   4.725
  420   1HD2  LEU  49          1HD2      LEU  49 -31.141   9.320   3.899
  421   2HD2  LEU  49          2HD2      LEU  49 -30.901  10.020   2.299
  422   3HD2  LEU  49          3HD2      LEU  49 -29.794  10.422   3.613
  423    H    LEU  50           H        LEU  50 -27.050  10.997  -0.844
  424    HA   LEU  50           HA       LEU  50 -24.999  12.380   0.708
  425   1HB   LEU  50          2HB       LEU  50 -24.529   9.997  -0.812
  426   2HB   LEU  50          1HB       LEU  50 -23.682  11.333  -1.569
  427    HG   LEU  50           HG       LEU  50 -22.316  10.050   0.075
  428   1HD1  LEU  50          1HD1      LEU  50 -21.157  11.902   0.743
  429   2HD1  LEU  50          2HD1      LEU  50 -22.613  12.794   1.183
  430   3HD1  LEU  50          3HD1      LEU  50 -22.172  12.609  -0.514
  431   1HD2  LEU  50          1HD2      LEU  50 -24.266   9.695   1.648
  432   2HD2  LEU  50          2HD2      LEU  50 -24.018  11.358   2.182
  433   3HD2  LEU  50          3HD2      LEU  50 -22.738  10.162   2.395
  434    H    GLU  51           H        GLU  51 -23.705  13.880  -0.692
  435    HA   GLU  51           HA       GLU  51 -24.937  14.685  -3.186
  436   1HB   GLU  51          2HB       GLU  51 -24.992  16.440  -0.729
  437   2HB   GLU  51          1HB       GLU  51 -25.203  17.063  -2.359
  438   1HG   GLU  51          2HG       GLU  51 -27.193  15.737  -2.655
  439   2HG   GLU  51          1HG       GLU  51 -26.952  14.972  -1.085
  440    HA   PRO  52           HA       PRO  52 -20.257  15.166  -2.655
  441   1HB   PRO  52          2HB       PRO  52 -19.805  14.082  -5.171
  442   2HB   PRO  52          1HB       PRO  52 -19.711  13.195  -3.647
  443   1HG   PRO  52          2HG       PRO  52 -21.951  13.346  -5.615
  444   2HG   PRO  52          1HG       PRO  52 -21.359  11.953  -4.692
  445   1HD   PRO  52          2HD       PRO  52 -23.586  13.240  -3.970
  446   2HD   PRO  52          1HD       PRO  52 -22.453  12.617  -2.751
  447    H    SER  53           H        SER  53 -22.546  15.839  -5.237
  448    HA   SER  53           HA       SER  53 -20.967  17.544  -6.787
  449   1HB   SER  53          2HB       SER  53 -23.071  16.738  -7.645
  450   2HB   SER  53          1HB       SER  53 -23.957  17.520  -6.336
  451    HG   SER  53           HG       SER  53 -24.022  19.227  -7.538
  452    H    GLU  54           H        GLU  54 -23.020  18.214  -3.993
  453    HA   GLU  54           HA       GLU  54 -22.626  21.035  -4.061
  454   1HB   GLU  54          2HB       GLU  54 -23.801  19.089  -2.126
  455   2HB   GLU  54          1HB       GLU  54 -23.396  20.701  -1.549
  456   1HG   GLU  54          2HG       GLU  54 -24.740  21.370  -3.756
  457   2HG   GLU  54          1HG       GLU  54 -25.514  19.824  -3.409
  458    H    LEU  55           H        LEU  55 -21.270  18.457  -2.008
  459    HA   LEU  55           HA       LEU  55 -19.529  20.179  -0.580
  460   1HB   LEU  55          2HB       LEU  55 -19.621  17.198  -0.949
  461   2HB   LEU  55          1HB       LEU  55 -18.379  17.976   0.013
  462    HG   LEU  55           HG       LEU  55 -20.208  17.105   1.398
  463   1HD1  LEU  55          1HD1      LEU  55 -20.865  19.642   2.198
  464   2HD1  LEU  55          2HD1      LEU  55 -19.344  19.891   1.340
  465   3HD1  LEU  55          3HD1      LEU  55 -19.423  18.752   2.684
  466   1HD2  LEU  55          1HD2      LEU  55 -22.423  18.022   1.293
  467   2HD2  LEU  55          2HD2      LEU  55 -21.991  17.411  -0.303
  468   3HD2  LEU  55          3HD2      LEU  55 -21.945  19.145   0.018
  469    H    GLN  56           H        GLN  56 -19.389  19.068  -3.744
  470    HA   GLN  56           HA       GLN  56 -16.642  18.595  -4.082
  471   1HB   GLN  56          2HB       GLN  56 -18.285  17.912  -5.736
  472   2HB   GLN  56          1HB       GLN  56 -18.713  19.589  -6.038
  473   1HG   GLN  56          2HG       GLN  56 -15.878  19.111  -6.400
  474   2HG   GLN  56          1HG       GLN  56 -16.866  18.074  -7.428
  475   1HE2  GLN  56          1HE2      GLN  56 -16.286  19.105  -9.313
  476   2HE2  GLN  56          2HE2      GLN  56 -16.818  20.699  -9.711
  477    H    GLY  57           H        GLY  57 -18.547  21.559  -4.278
  478   1HA   GLY  57          2HA       GLY  57 -16.014  23.045  -4.602
  479   2HA   GLY  57          1HA       GLY  57 -17.566  23.608  -5.208
  480    H    LEU  58           H        LEU  58 -18.531  22.415  -2.427
  481    HA   LEU  58           HA       LEU  58 -18.876  24.867  -1.150
  482   1HB   LEU  58          2HB       LEU  58 -19.259  22.034  -0.447
  483   2HB   LEU  58          1HB       LEU  58 -19.056  23.112   0.920
  484    HG   LEU  58           HG       LEU  58 -20.969  24.114  -1.053
  485   1HD1  LEU  58          1HD1      LEU  58 -22.474  22.193   0.344
  486   2HD1  LEU  58          2HD1      LEU  58 -21.107  21.338  -0.371
  487   3HD1  LEU  58          3HD1      LEU  58 -22.181  22.291  -1.393
  488   1HD2  LEU  58          1HD2      LEU  58 -20.790  25.182   1.059
  489   2HD2  LEU  58          2HD2      LEU  58 -20.957  23.652   1.921
  490   3HD2  LEU  58          3HD2      LEU  58 -22.333  24.327   1.047
  491    H    GLY  59           H        GLY  59 -16.225  22.602  -1.043
  492   1HA   GLY  59          2HA       GLY  59 -14.180  24.079  -0.331
  493   2HA   GLY  59          1HA       GLY  59 -15.016  24.036   1.213
  494    H    ALA  60           H        ALA  60 -12.498  23.121   1.148
  495    HA   ALA  60           HA       ALA  60 -12.376  20.294   0.656
  496   1HB   ALA  60          1HB       ALA  60 -10.517  22.393   1.566
  497   2HB   ALA  60          2HB       ALA  60 -10.274  21.079   0.416
  498   3HB   ALA  60          3HB       ALA  60 -10.186  20.763   2.148
  499    H    LEU  61           H        LEU  61 -11.936  22.182   3.656
  500    HA   LEU  61           HA       LEU  61 -12.167  20.012   5.401
  501   1HB   LEU  61          2HB       LEU  61 -12.200  22.939   5.614
  502   2HB   LEU  61          1HB       LEU  61 -13.099  22.126   6.881
  503    HG   LEU  61           HG       LEU  61 -10.790  22.593   7.554
  504   1HD1  LEU  61          1HD1      LEU  61 -10.604  20.677   8.725
  505   2HD1  LEU  61          2HD1      LEU  61 -10.731  19.659   7.289
  506   3HD1  LEU  61          3HD1      LEU  61 -12.185  20.344   8.017
  507   1HD2  LEU  61          1HD2      LEU  61 -10.211  21.170   5.018
  508   2HD2  LEU  61          2HD2      LEU  61  -9.111  20.915   6.373
  509   3HD2  LEU  61          3HD2      LEU  61  -9.392  22.544   5.760
  510    H    GLU  62           H        GLU  62 -14.613  22.140   4.028
  511    HA   GLU  62           HA       GLU  62 -16.777  21.273   5.622
  512   1HB   GLU  62          2HB       GLU  62 -16.521  22.678   2.992
  513   2HB   GLU  62          1HB       GLU  62 -18.096  22.084   3.499
  514   1HG   GLU  62          2HG       GLU  62 -16.389  23.893   5.185
  515   2HG   GLU  62          1HG       GLU  62 -17.607  24.478   4.051
  516    H    ALA  63           H        ALA  63 -15.605  20.238   2.437
  517    HA   ALA  63           HA       ALA  63 -17.618  18.330   1.947
  518   1HB   ALA  63          1HB       ALA  63 -14.790  18.228   0.916
  519   2HB   ALA  63          2HB       ALA  63 -16.040  19.277   0.251
  520   3HB   ALA  63          3HB       ALA  63 -16.232  17.527   0.182
  521    H    THR  64           H        THR  64 -14.414  18.056   3.435
  522    HA   THR  64           HA       THR  64 -14.496  15.250   3.798
  523    HB   THR  64           HB       THR  64 -12.943  17.130   5.559
  524    HG1  THR  64           1HG      THR  64 -12.259  16.341   2.923
  525   1HG2  THR  64          1HG2      THR  64 -11.175  15.320   5.044
  526   2HG2  THR  64          2HG2      THR  64 -12.566  14.335   4.590
  527   3HG2  THR  64          3HG2      THR  64 -12.441  14.984   6.224
  528    H    ALA  65           H        ALA  65 -15.138  17.950   6.029
  529    HA   ALA  65           HA       ALA  65 -15.800  16.380   8.258
  530   1HB   ALA  65          1HB       ALA  65 -15.388  18.577   8.803
  531   2HB   ALA  65          2HB       ALA  65 -17.150  18.529   8.875
  532   3HB   ALA  65          3HB       ALA  65 -16.343  19.203   7.459
  533    H    TRP  66           H        TRP  66 -17.831  17.740   5.687
  534    HA   TRP  66           HA       TRP  66 -20.295  16.855   6.769
  535   1HB   TRP  66          2HB       TRP  66 -19.792  18.600   4.879
  536   2HB   TRP  66          1HB       TRP  66 -19.884  17.197   3.819
  537    HD1  TRP  66           HD       TRP  66 -22.058  19.353   6.124
  538    HE1  TRP  66           1HE      TRP  66 -24.531  18.918   5.559
  539    HE3  TRP  66           3HE      TRP  66 -21.472  15.477   2.842
  540    HZ2  TRP  66           2HZ      TRP  66 -26.034  17.163   3.938
  541    HZ3  TRP  66           3HZ      TRP  66 -23.478  14.475   1.829
  542    HH2  TRP  66           HH       TRP  66 -25.711  15.303   2.366
  543    H    ALA  67           H        ALA  67 -18.208  15.524   4.213
  544    HA   ALA  67           HA       ALA  67 -19.767  13.255   3.666
  545   1HB   ALA  67          1HB       ALA  67 -16.777  13.310   3.397
  546   2HB   ALA  67          2HB       ALA  67 -17.824  14.231   2.319
  547   3HB   ALA  67          3HB       ALA  67 -17.962  12.475   2.392
  548    H    LEU  68           H        LEU  68 -17.189  13.826   6.006
  549    HA   LEU  68           HA       LEU  68 -16.903  11.143   6.849
  550   1HB   LEU  68          2HB       LEU  68 -16.157  13.807   7.975
  551   2HB   LEU  68          1HB       LEU  68 -16.050  12.391   9.005
  552    HG   LEU  68           HG       LEU  68 -14.666  12.581   6.335
  553   1HD1  LEU  68          1HD1      LEU  68 -12.647  13.159   7.505
  554   2HD1  LEU  68          2HD1      LEU  68 -13.485  13.110   9.056
  555   3HD1  LEU  68          3HD1      LEU  68 -13.889  14.355   7.874
  556   1HD2  LEU  68          1HD2      LEU  68 -14.590  10.365   6.788
  557   2HD2  LEU  68          2HD2      LEU  68 -14.819  10.598   8.520
  558   3HD2  LEU  68          3HD2      LEU  68 -13.231  10.859   7.797
  559    H    LYS  69           H        LYS  69 -18.955  13.799   7.943
  560    HA   LYS  69           HA       LYS  69 -19.981  12.433  10.219
  561   1HB   LYS  69          2HB       LYS  69 -19.995  14.982   9.607
  562   2HB   LYS  69          1HB       LYS  69 -21.512  14.588   8.813
  563   1HG   LYS  69          2HG       LYS  69 -20.963  13.920  11.689
  564   2HG   LYS  69          1HG       LYS  69 -21.676  15.450  11.174
  565   1HD   LYS  69          2HD       LYS  69 -23.355  13.920   9.896
  566   2HD   LYS  69          1HD       LYS  69 -22.808  12.686  11.035
  567   1HE   LYS  69          2HE       LYS  69 -24.462  13.512  12.323
  568   2HE   LYS  69          1HE       LYS  69 -23.262  14.740  12.724
  569   1HZ   LYS  69          1HZ       LYS  69 -25.022  15.129  10.399
  570   2HZ   LYS  69          2HZ       LYS  69 -24.263  16.286  11.372
  571   3HZ   LYS  69          3HZ       LYS  69 -25.612  15.448  11.954
  572    H    VAL  70           H        VAL  70 -21.276  13.019   6.957
  573    HA   VAL  70           HA       VAL  70 -23.672  11.555   7.381
  574    HB   VAL  70           HB       VAL  70 -23.929  11.611   4.929
  575   1HG1  VAL  70          1HG1      VAL  70 -24.338  13.607   6.538
  576   2HG1  VAL  70          2HG1      VAL  70 -24.380  13.875   4.796
  577   3HG1  VAL  70          3HG1      VAL  70 -22.946  14.320   5.723
  578   1HG2  VAL  70          1HG2      VAL  70 -22.110  13.062   3.748
  579   2HG2  VAL  70          2HG2      VAL  70 -21.847  11.334   3.974
  580   3HG2  VAL  70          3HG2      VAL  70 -21.078  12.491   5.059
  581    H    ALA  71           H        ALA  71 -20.579  10.725   5.835
  582    HA   ALA  71           HA       ALA  71 -21.217   8.162   4.962
  583   1HB   ALA  71          1HB       ALA  71 -18.549   9.075   6.037
  584   2HB   ALA  71          2HB       ALA  71 -19.129   9.357   4.396
  585   3HB   ALA  71          3HB       ALA  71 -18.839   7.712   4.958
  586    H    GLU  72           H        GLU  72 -20.002   9.260   8.093
  587    HA   GLU  72           HA       GLU  72 -19.877   6.674   9.267
  588   1HB   GLU  72          2HB       GLU  72 -18.567   8.537  10.150
  589   2HB   GLU  72          1HB       GLU  72 -20.041   9.412  10.545
  590   1HG   GLU  72          2HG       GLU  72 -19.827   6.729  11.720
  591   2HG   GLU  72          1HG       GLU  72 -18.641   7.901  12.288
  592    H    ASN  73           H        ASN  73 -22.315   9.200   9.100
  593    HA   ASN  73           HA       ASN  73 -24.106   8.036  10.965
  594   1HB   ASN  73          2HB       ASN  73 -24.003  10.462   9.994
  595   2HB   ASN  73          1HB       ASN  73 -25.039   9.801   8.733
  596   1HD2  ASN  73          1HD2      ASN  73 -24.920  11.140  11.803
  597   2HD2  ASN  73          2HD2      ASN  73 -26.547  10.821  12.286
  598    H    GLU  74           H        GLU  74 -23.818   7.861   7.445
  599    HA   GLU  74           HA       GLU  74 -26.172   6.229   7.171
  600   1HB   GLU  74          2HB       GLU  74 -25.019   7.898   5.472
  601   2HB   GLU  74          1HB       GLU  74 -24.147   6.448   4.995
  602   1HG   GLU  74          2HG       GLU  74 -27.135   6.811   5.002
  603   2HG   GLU  74          1HG       GLU  74 -26.083   6.787   3.588
  604    H    LEU  75           H        LEU  75 -22.668   5.676   7.021
  605    HA   LEU  75           HA       LEU  75 -23.092   2.836   6.567
  606   1HB   LEU  75          2HB       LEU  75 -20.553   4.439   6.845
  607   2HB   LEU  75          1HB       LEU  75 -20.620   2.728   6.470
  608    HG   LEU  75           HG       LEU  75 -22.133   4.549   4.681
  609   1HD1  LEU  75          1HD1      LEU  75 -19.937   5.684   5.141
  610   2HD1  LEU  75          2HD1      LEU  75 -20.234   5.260   3.455
  611   3HD1  LEU  75          3HD1      LEU  75 -19.147   4.275   4.435
  612   1HD2  LEU  75          1HD2      LEU  75 -21.625   1.905   4.661
  613   2HD2  LEU  75          2HD2      LEU  75 -20.275   2.487   3.686
  614   3HD2  LEU  75          3HD2      LEU  75 -21.932   2.853   3.205
  615    H    GLY  76           H        GLY  76 -22.010   4.975   9.144
  616   1HA   GLY  76          2HA       GLY  76 -22.178   4.473  11.441
  617   2HA   GLY  76          1HA       GLY  76 -22.346   2.773  11.032
  618    H    ILE  77           H        ILE  77 -19.812   4.766   9.698
  619    HA   ILE  77           HA       ILE  77 -17.852   3.202  11.241
  620    HB   ILE  77           HB       ILE  77 -17.347   4.654   8.645
  621   1HG1  ILE  77          2HG1      ILE  77 -17.824   1.690   9.011
  622   2HG1  ILE  77          1HG1      ILE  77 -19.061   2.812   8.455
  623   1HG2  ILE  77          1HG2      ILE  77 -15.762   2.823  10.392
  624   2HG2  ILE  77          2HG2      ILE  77 -15.282   4.334   9.623
  625   3HG2  ILE  77          3HG2      ILE  77 -15.452   2.868   8.657
  626   1HD1  ILE  77          1HD1      ILE  77 -18.327   2.135   6.439
  627   2HD1  ILE  77          2HD1      ILE  77 -16.725   1.710   7.041
  628   3HD1  ILE  77          3HD1      ILE  77 -17.124   3.395   6.707
  629    H    THR  78           H        THR  78 -16.748   4.250  12.750
  630    HA   THR  78           HA       THR  78 -16.908   7.099  13.008
  631    HB   THR  78           HB       THR  78 -15.115   5.255  14.581
  632    HG1  THR  78           1HG      THR  78 -16.789   4.581  15.690
  633   1HG2  THR  78          1HG2      THR  78 -15.841   8.026  14.819
  634   2HG2  THR  78          2HG2      THR  78 -14.646   7.092  15.717
  635   3HG2  THR  78          3HG2      THR  78 -16.327   7.115  16.249
  636    HA   PRO  79           HA       PRO  79 -13.431   8.048  10.359
  637   1HB   PRO  79          2HB       PRO  79 -13.368  10.499  12.046
  638   2HB   PRO  79          1HB       PRO  79 -13.408  10.345  10.286
  639   1HG   PRO  79          2HG       PRO  79 -15.583  11.081  11.634
  640   2HG   PRO  79          1HG       PRO  79 -15.701   9.994  10.236
  641   1HD   PRO  79          2HD       PRO  79 -15.870   9.362  13.152
  642   2HD   PRO  79          1HD       PRO  79 -16.767   8.660  11.789
  643    H    VAL  80           H        VAL  80 -11.268   7.768  10.532
  644    HA   VAL  80           HA       VAL  80 -10.136   7.673  13.252
  645    HB   VAL  80           HB       VAL  80  -9.158   6.110  10.863
  646   1HG1  VAL  80          1HG1      VAL  80  -8.416   4.866  13.245
  647   2HG1  VAL  80          2HG1      VAL  80  -8.133   6.585  13.516
  648   3HG1  VAL  80          3HG1      VAL  80  -7.375   5.772  12.147
  649   1HG2  VAL  80          1HG2      VAL  80 -10.377   4.554  12.985
  650   2HG2  VAL  80          2HG2      VAL  80 -10.651   4.498  11.244
  651   3HG2  VAL  80          3HG2      VAL  80 -11.522   5.666  12.236
  652    H    VAL  81           H        VAL  81 -10.209   9.692  10.775
  653    HA   VAL  81           HA       VAL  81  -7.539  10.705  11.323
  654    HB   VAL  81           HB       VAL  81  -7.202   9.281   9.352
  655   1HG1  VAL  81          1HG1      VAL  81  -9.232  11.066   8.015
  656   2HG1  VAL  81          2HG1      VAL  81  -9.468   9.371   8.445
  657   3HG1  VAL  81          3HG1      VAL  81  -8.273   9.815   7.226
  658   1HG2  VAL  81          1HG2      VAL  81  -6.288  11.052   7.829
  659   2HG2  VAL  81          2HG2      VAL  81  -5.778  11.182   9.513
  660   3HG2  VAL  81          3HG2      VAL  81  -7.033  12.252   8.887
  661    H    SER  82           H        SER  82  -7.329  12.923  11.010
  662    HA   SER  82           HA       SER  82  -9.781  14.401  11.074
  663   1HB   SER  82          2HB       SER  82  -7.230  15.869  10.738
  664   2HB   SER  82          1HB       SER  82  -8.531  16.118  11.902
  665    HG   SER  82           HG       SER  82  -6.257  15.048  12.420
  666    H    ALA  83           H        ALA  83 -10.502  15.967   9.618
  667    HA   ALA  83           HA       ALA  83 -10.294  15.343   6.903
  668   1HB   ALA  83          1HB       ALA  83 -11.332  17.674   6.608
  669   2HB   ALA  83          2HB       ALA  83 -11.338  17.740   8.370
  670   3HB   ALA  83          3HB       ALA  83 -12.233  16.473   7.534
  671    H    GLN  84           H        GLN  84  -8.699  17.874   8.805
  672    HA   GLN  84           HA       GLN  84  -7.427  19.242   6.752
  673   1HB   GLN  84          2HB       GLN  84  -7.073  18.956   9.649
  674   2HB   GLN  84          1HB       GLN  84  -5.591  19.356   8.792
  675   1HG   GLN  84          2HG       GLN  84  -7.599  21.029   7.754
  676   2HG   GLN  84          1HG       GLN  84  -7.775  21.045   9.509
  677   1HE2  GLN  84          1HE2      GLN  84  -5.323  21.316   6.968
  678   2HE2  GLN  84          2HE2      GLN  84  -4.351  22.485   7.786
  679    H    ALA  85           H        ALA  85  -6.352  16.372   8.532
  680    HA   ALA  85           HA       ALA  85  -3.808  16.162   7.351
  681   1HB   ALA  85          1HB       ALA  85  -3.886  14.805   9.158
  682   2HB   ALA  85          2HB       ALA  85  -4.328  13.603   7.946
  683   3HB   ALA  85          3HB       ALA  85  -5.581  14.386   8.910
  684    H    VAL  86           H        VAL  86  -6.961  14.900   6.395
  685    HA   VAL  86           HA       VAL  86  -6.077  13.243   4.298
  686    HB   VAL  86           HB       VAL  86  -8.731  14.673   4.470
  687   1HG1  VAL  86          1HG1      VAL  86  -9.040  13.709   2.480
  688   2HG1  VAL  86          2HG1      VAL  86  -9.130  12.186   3.362
  689   3HG1  VAL  86          3HG1      VAL  86  -7.602  12.702   2.649
  690   1HG2  VAL  86          1HG2      VAL  86  -9.454  13.231   6.035
  691   2HG2  VAL  86          2HG2      VAL  86  -7.740  13.037   6.395
  692   3HG2  VAL  86          3HG2      VAL  86  -8.558  11.877   5.349
  693    H    VAL  87           H        VAL  87  -7.219  16.609   4.296
  694    HA   VAL  87           HA       VAL  87  -6.868  16.950   1.485
  695    HB   VAL  87           HB       VAL  87  -7.068  19.101   3.594
  696   1HG1  VAL  87          1HG1      VAL  87  -7.238  20.610   1.941
  697   2HG1  VAL  87          2HG1      VAL  87  -8.209  19.539   0.930
  698   3HG1  VAL  87          3HG1      VAL  87  -6.454  19.375   0.955
  699   1HG2  VAL  87          1HG2      VAL  87  -9.089  18.218   3.997
  700   2HG2  VAL  87          2HG2      VAL  87  -9.055  17.229   2.538
  701   3HG2  VAL  87          3HG2      VAL  87  -9.539  18.922   2.444
  702    H    ALA  88           H        ALA  88  -4.923  17.678   4.335
  703    HA   ALA  88           HA       ALA  88  -2.886  19.020   2.780
  704   1HB   ALA  88          1HB       ALA  88  -3.653  19.284   5.342
  705   2HB   ALA  88          2HB       ALA  88  -2.061  19.755   4.745
  706   3HB   ALA  88          3HB       ALA  88  -2.278  18.198   5.544
  707    H    GLY  89           H        GLY  89  -3.619  15.793   3.555
  708   1HA   GLY  89          2HA       GLY  89  -2.479  13.825   3.265
  709   2HA   GLY  89          1HA       GLY  89  -1.476  14.717   2.131
  710    H    SER  90           H        SER  90  -1.787  15.405   5.569
  711    HA   SER  90           HA       SER  90   1.084  15.198   5.867
  712   1HB   SER  90          2HB       SER  90   0.775  16.213   8.021
  713   2HB   SER  90          1HB       SER  90  -0.280  17.054   6.885
  714    HG   SER  90           HG       SER  90  -1.942  15.511   7.660
  715    H    ASP  91           H        ASP  91  -1.730  13.318   6.622
  716    HA   ASP  91           HA       ASP  91  -0.036  11.427   8.122
  717   1HB   ASP  91          2HB       ASP  91  -2.809  12.379   8.558
  718   2HB   ASP  91          1HB       ASP  91  -2.527  10.662   8.828
  719    HA   PRO  92           HA       PRO  92  -1.127   9.387   4.087
  720   1HB   PRO  92          2HB       PRO  92   1.362   7.946   4.813
  721   2HB   PRO  92          1HB       PRO  92   0.892   8.676   3.276
  722   1HG   PRO  92          2HG       PRO  92   2.735   9.820   4.830
  723   2HG   PRO  92          1HG       PRO  92   1.565  10.795   3.921
  724   1HD   PRO  92          2HD       PRO  92   1.601  10.098   6.830
  725   2HD   PRO  92          1HD       PRO  92   1.150  11.623   6.039
  726    H    LEU  93           H        LEU  93   0.192   7.913   7.045
  727    HA   LEU  93           HA       LEU  93  -0.793   5.326   6.633
  728   1HB   LEU  93          2HB       LEU  93   0.875   6.232   8.392
  729   2HB   LEU  93          1HB       LEU  93  -0.551   6.559   9.358
  730    HG   LEU  93           HG       LEU  93  -0.719   3.869   8.424
  731   1HD1  LEU  93          1HD1      LEU  93   1.588   3.685   8.105
  732   2HD1  LEU  93          2HD1      LEU  93   1.317   3.044   9.725
  733   3HD1  LEU  93          3HD1      LEU  93   1.955   4.674   9.517
  734   1HD2  LEU  93          1HD2      LEU  93  -1.811   4.624  10.415
  735   2HD2  LEU  93          2HD2      LEU  93  -0.275   5.113  11.132
  736   3HD2  LEU  93          3HD2      LEU  93  -0.622   3.403  10.873
  737    H    GLY  94           H        GLY  94  -2.286   8.185   8.038
  738   1HA   GLY  94          2HA       GLY  94  -4.573   6.882   9.096
  739   2HA   GLY  94          1HA       GLY  94  -4.431   8.598   8.752
  740    H    LEU  95           H        LEU  95  -3.941   8.454   5.985
  741    HA   LEU  95           HA       LEU  95  -6.560   8.334   4.988
  742   1HB   LEU  95          2HB       LEU  95  -3.876   8.398   3.628
  743   2HB   LEU  95          1HB       LEU  95  -5.379   8.395   2.725
  744    HG   LEU  95           HG       LEU  95  -5.299  10.458   4.796
  745   1HD1  LEU  95          1HD1      LEU  95  -3.411  10.768   2.474
  746   2HD1  LEU  95          2HD1      LEU  95  -2.890  10.326   4.099
  747   3HD1  LEU  95          3HD1      LEU  95  -3.674  11.880   3.817
  748   1HD2  LEU  95          1HD2      LEU  95  -6.034  10.202   1.913
  749   2HD2  LEU  95          2HD2      LEU  95  -5.826  11.802   2.627
  750   3HD2  LEU  95          3HD2      LEU  95  -7.026  10.690   3.287
  751    H    ILE  96           H        ILE  96  -3.870   6.040   4.754
  752    HA   ILE  96           HA       ILE  96  -5.210   4.187   3.081
  753    HB   ILE  96           HB       ILE  96  -2.960   3.612   5.010
  754   1HG1  ILE  96          2HG1      ILE  96  -2.430   5.492   3.492
  755   2HG1  ILE  96          1HG1      ILE  96  -1.445   4.072   3.155
  756   1HG2  ILE  96          1HG2      ILE  96  -2.773   1.577   4.088
  757   2HG2  ILE  96          2HG2      ILE  96  -3.110   2.171   2.463
  758   3HG2  ILE  96          3HG2      ILE  96  -4.439   1.835   3.573
  759   1HD1  ILE  96          1HD1      ILE  96  -2.213   3.914   1.077
  760   2HD1  ILE  96          2HD1      ILE  96  -2.849   5.542   1.318
  761   3HD1  ILE  96          3HD1      ILE  96  -3.888   4.142   1.587
  762    H    ALA  97           H        ALA  97  -4.852   4.455   6.590
  763    HA   ALA  97           HA       ALA  97  -5.951   2.022   7.355
  764   1HB   ALA  97          1HB       ALA  97  -6.328   4.621   8.829
  765   2HB   ALA  97          2HB       ALA  97  -4.832   3.689   8.846
  766   3HB   ALA  97          3HB       ALA  97  -6.313   2.991   9.504
  767    H    TYR  98           H        TYR  98  -7.596   5.113   6.743
  768    HA   TYR  98           HA       TYR  98 -10.193   4.135   7.343
  769   1HB   TYR  98          2HB       TYR  98  -9.214   6.604   7.078
  770   2HB   TYR  98          1HB       TYR  98  -9.859   6.411   5.451
  771    HD1  TYR  98           1HD      TYR  98 -11.139   5.292   8.777
  772    HD2  TYR  98           2HD      TYR  98 -11.807   7.651   5.301
  773    HE1  TYR  98           1HE      TYR  98 -13.380   5.870   9.607
  774    HE2  TYR  98           2HE      TYR  98 -14.050   8.236   6.120
  775    HH   TYR  98           HH       TYR  98 -15.071   7.554   9.325
  776    H    LEU  99           H        LEU  99  -8.339   4.462   4.355
  777    HA   LEU  99           HA       LEU  99 -10.403   3.811   2.562
  778   1HB   LEU  99          2HB       LEU  99  -7.458   3.941   2.482
  779   2HB   LEU  99          1HB       LEU  99  -8.190   2.878   1.296
  780    HG   LEU  99           HG       LEU  99  -7.792   5.117   0.387
  781   1HD1  LEU  99          1HD1      LEU  99  -9.968   3.590   0.014
  782   2HD1  LEU  99          2HD1      LEU  99  -9.681   5.103  -0.846
  783   3HD1  LEU  99          3HD1      LEU  99 -10.734   5.079   0.567
  784   1HD2  LEU  99          1HD2      LEU  99  -8.017   6.829   1.804
  785   2HD2  LEU  99          2HD2      LEU  99  -9.066   5.910   2.884
  786   3HD2  LEU  99          3HD2      LEU  99  -9.746   6.722   1.474
  787    H    SER 100           H        SER 100  -8.284   1.829   4.516
  788    HA   SER 100           HA       SER 100  -8.765  -0.635   3.218
  789   1HB   SER 100          2HB       SER 100  -7.048   0.151   5.151
  790   2HB   SER 100          1HB       SER 100  -8.251  -0.680   6.136
  791    HG   SER 100           HG       SER 100  -6.325  -1.758   4.705
  792    H    HIS 101           H        HIS 101 -10.398   1.060   5.841
  793    HA   HIS 101           HA       HIS 101 -12.147  -1.069   6.532
  794   1HB   HIS 101          2HB       HIS 101 -11.527   1.088   7.860
  795   2HB   HIS 101          1HB       HIS 101 -12.843   1.821   6.952
  796    HD1  HIS 101           1HD      HIS 101 -13.787  -1.571   7.523
  797    HD2  HIS 101           2HD      HIS 101 -13.766   1.888   9.825
  798    HE1  HIS 101           1HE      HIS 101 -15.376  -2.017   9.419
  799    HE2  HIS 101           2HE      HIS 101 -15.413   0.121  10.751
  800    H    PHE 102           H        PHE 102 -12.496   1.782   4.449
  801    HA   PHE 102           HA       PHE 102 -15.192   1.395   3.771
  802   1HB   PHE 102          2HB       PHE 102 -13.009   3.094   2.922
  803   2HB   PHE 102          1HB       PHE 102 -13.965   2.571   1.539
  804    HD1  PHE 102           1HD      PHE 102 -14.602   3.742   5.030
  805    HD2  PHE 102           2HD      PHE 102 -15.634   3.998   0.909
  806    HE1  PHE 102           1HE      PHE 102 -16.296   5.446   5.562
  807    HE2  PHE 102           2HE      PHE 102 -17.330   5.701   1.434
  808    HZ   PHE 102           HZ       PHE 102 -17.661   6.429   3.764
  809    H    HIS 103           H        HIS 103 -12.232   0.041   2.465
  810    HA   HIS 103           HA       HIS 103 -13.273  -1.035   0.089
  811   1HB   HIS 103          2HB       HIS 103 -10.838  -0.829   0.695
  812   2HB   HIS 103          1HB       HIS 103 -11.047  -2.220   1.755
  813    HD1  HIS 103           1HD      HIS 103 -11.921  -4.464   0.449
  814    HD2  HIS 103           2HD      HIS 103 -10.178  -1.476  -1.854
  815    HE1  HIS 103           1HE      HIS 103 -11.274  -5.573  -1.712
  816    HE2  HIS 103           2HE      HIS 103 -10.293  -3.729  -3.120
  817    H    SER 104           H        SER 104 -13.037  -2.376   3.356
  818    HA   SER 104           HA       SER 104 -13.984  -4.955   2.739
  819   1HB   SER 104          2HB       SER 104 -14.201  -5.285   5.085
  820   2HB   SER 104          1HB       SER 104 -12.825  -4.201   4.878
  821    HG   SER 104           HG       SER 104 -15.432  -3.609   5.774
  822    H    ALA 105           H        ALA 105 -15.651  -1.995   3.719
  823    HA   ALA 105           HA       ALA 105 -18.219  -3.140   3.993
  824   1HB   ALA 105          1HB       ALA 105 -18.817  -0.592   3.420
  825   2HB   ALA 105          2HB       ALA 105 -17.110  -0.407   3.825
  826   3HB   ALA 105          3HB       ALA 105 -18.222  -1.112   4.997
  827    H    PHE 106           H        PHE 106 -16.547  -1.639   1.263
  828    HA   PHE 106           HA       PHE 106 -18.748  -1.613  -0.503
  829   1HB   PHE 106          2HB       PHE 106 -15.773  -1.463  -0.851
  830   2HB   PHE 106          1HB       PHE 106 -16.817  -1.611  -2.260
  831    HD1  PHE 106           1HD      PHE 106 -17.389   0.285   0.887
  832    HD2  PHE 106           2HD      PHE 106 -16.663   0.448  -3.301
  833    HE1  PHE 106           1HE      PHE 106 -17.776   2.714   0.919
  834    HE2  PHE 106           2HE      PHE 106 -17.048   2.879  -3.279
  835    HZ   PHE 106           HZ       PHE 106 -17.607   4.014  -1.165
  836    H    LYS 107           H        LYS 107 -16.271  -4.018   0.202
  837    HA   LYS 107           HA       LYS 107 -16.774  -5.778  -1.914
  838   1HB   LYS 107          2HB       LYS 107 -14.904  -5.768  -0.080
  839   2HB   LYS 107          1HB       LYS 107 -16.026  -6.793   0.803
  840   1HG   LYS 107          2HG       LYS 107 -14.558  -8.240  -0.334
  841   2HG   LYS 107          1HG       LYS 107 -16.082  -8.286  -1.225
  842   1HD   LYS 107          2HD       LYS 107 -15.021  -6.425  -2.672
  843   2HD   LYS 107          1HD       LYS 107 -13.496  -6.966  -1.969
  844   1HE   LYS 107          2HE       LYS 107 -13.807  -9.177  -2.839
  845   2HE   LYS 107          1HE       LYS 107 -15.443  -8.789  -3.370
  846   1HZ   LYS 107          1HZ       LYS 107 -13.074  -7.353  -4.408
  847   2HZ   LYS 107          2HZ       LYS 107 -14.633  -7.406  -5.059
  848   3HZ   LYS 107          3HZ       LYS 107 -13.644  -8.776  -5.123
  849    H    SER 108           H        SER 108 -18.458  -5.252   1.096
  850    HA   SER 108           HA       SER 108 -20.177  -7.572   0.613
  851   1HB   SER 108          2HB       SER 108 -19.502  -5.923   2.990
  852   2HB   SER 108          1HB       SER 108 -21.135  -6.582   2.920
  853    HG   SER 108           HG       SER 108 -18.696  -8.024   2.782
  854    H    MET 109           H        MET 109 -20.819  -4.291   1.845
  855    HA   MET 109           HA       MET 109 -23.473  -4.209   0.957
  856   1HB   MET 109          2HB       MET 109 -22.001  -2.645   2.577
  857   2HB   MET 109          1HB       MET 109 -21.992  -1.644   1.132
  858   1HG   MET 109          2HG       MET 109 -24.504  -2.723   2.377
  859   2HG   MET 109          1HG       MET 109 -23.809  -1.156   2.785
  860   1HE   MET 109          1HE       MET 109 -26.797  -0.625   1.691
  861   2HE   MET 109          2HE       MET 109 -26.169   0.742   0.769
  862   3HE   MET 109          3HE       MET 109 -25.449   0.322   2.324
  Start of MODEL    9
    1   1H    MET  -8          1HT       MET  -8  30.853  -4.711  12.042
    2   2H    MET  -8          2HT       MET  -8  30.328  -4.923  13.663
    3   3H    MET  -8          3HT       MET  -8  29.639  -3.688  12.688
    4    HA   MET  -8           HA       MET  -8  28.923  -5.518  11.162
    5   1HB   MET  -8          2HB       MET  -8  30.100  -6.961  13.462
    6   2HB   MET  -8          1HB       MET  -8  28.556  -7.578  12.889
    7   1HG   MET  -8          2HG       MET  -8  30.777  -7.051  10.964
    8   2HG   MET  -8          1HG       MET  -8  30.755  -8.530  11.923
    9   1HE   MET  -8          1HE       MET  -8  30.790  -7.835   8.892
   10   2HE   MET  -8          2HE       MET  -8  29.430  -8.482   7.976
   11   3HE   MET  -8          3HE       MET  -8  30.514  -9.575   8.832
   12    H    GLY  -7           H        GLY  -7  26.773  -5.318  11.061
   13   1HA   GLY  -7          2HA       GLY  -7  25.208  -5.211  13.529
   14   2HA   GLY  -7          1HA       GLY  -7  25.147  -3.802  12.482
   15    H    HIS  -6           H        HIS  -6  22.894  -4.121  12.211
   16    HA   HIS  -6           HA       HIS  -6  22.272  -6.234  10.264
   17   1HB   HIS  -6          2HB       HIS  -6  20.475  -5.354  12.533
   18   2HB   HIS  -6          1HB       HIS  -6  20.069  -6.540  11.296
   19    HD1  HIS  -6           1HD      HIS  -6  21.996  -6.108  14.451
   20    HD2  HIS  -6           2HD      HIS  -6  21.302  -9.058  11.609
   21    HE1  HIS  -6           1HE      HIS  -6  22.838  -8.242  15.480
   22    HE2  HIS  -6           2HE      HIS  -6  22.476 -10.000  13.713
   23    H    HIS  -5           H        HIS  -5  22.184  -4.992   8.463
   24    HA   HIS  -5           HA       HIS  -5  21.074  -2.377   8.389
   25   1HB   HIS  -5          2HB       HIS  -5  21.276  -2.602   5.935
   26   2HB   HIS  -5          1HB       HIS  -5  22.755  -3.068   6.768
   27    HD1  HIS  -5           1HD      HIS  -5  20.095  -4.369   4.549
   28    HD2  HIS  -5           2HD      HIS  -5  23.306  -5.864   6.721
   29    HE1  HIS  -5           1HE      HIS  -5  20.469  -6.697   3.678
   30    HE2  HIS  -5           2HE      HIS  -5  22.359  -7.614   5.068
   31    H    HIS  -4           H        HIS  -4  19.280  -1.849   6.773
   32    HA   HIS  -4           HA       HIS  -4  17.168  -3.857   6.683
   33   1HB   HIS  -4          2HB       HIS  -4  15.515  -2.191   7.591
   34   2HB   HIS  -4          1HB       HIS  -4  16.670  -2.798   8.774
   35    HD1  HIS  -4           1HD      HIS  -4  18.766  -1.110   9.228
   36    HD2  HIS  -4           2HD      HIS  -4  15.379   0.516   7.455
   37    HE1  HIS  -4           1HE      HIS  -4  18.965   1.375   9.555
   38    HE2  HIS  -4           2HE      HIS  -4  16.947   2.344   8.398
   39    H    HIS  -3           H        HIS  -3  17.149  -3.890   4.481
   40    HA   HIS  -3           HA       HIS  -3  16.783  -1.346   3.067
   41   1HB   HIS  -3          2HB       HIS  -3  18.398  -3.530   2.503
   42   2HB   HIS  -3          1HB       HIS  -3  17.047  -3.717   1.389
   43    HD1  HIS  -3           1HD      HIS  -3  19.496  -0.994   2.428
   44    HD2  HIS  -3           2HD      HIS  -3  17.336  -2.276  -0.881
   45    HE1  HIS  -3           1HE      HIS  -3  20.211   0.503   0.539
   46    HE2  HIS  -3           2HE      HIS  -3  18.822  -0.231  -1.431
   47    H    HIS  -2           H        HIS  -2  15.191  -1.237   1.346
   48    HA   HIS  -2           HA       HIS  -2  13.121  -3.200   1.164
   49   1HB   HIS  -2          2HB       HIS  -2  11.297  -1.707   1.995
   50   2HB   HIS  -2          1HB       HIS  -2  12.396  -2.254   3.257
   51    HD1  HIS  -2           1HD      HIS  -2  13.909  -0.477   4.366
   52    HD2  HIS  -2           2HD      HIS  -2  11.348   1.044   1.469
   53    HE1  HIS  -2           1HE      HIS  -2  13.976   2.019   4.655
   54    HE2  HIS  -2           2HE      HIS  -2  12.483   2.923   2.836
   55    H    HIS  -1           H        HIS  -1  12.116  -3.041  -0.753
   56    HA   HIS  -1           HA       HIS  -1  12.320  -0.497  -2.219
   57   1HB   HIS  -1          2HB       HIS  -1  13.944  -2.313  -2.980
   58   2HB   HIS  -1          1HB       HIS  -1  12.530  -3.198  -3.542
   59    HD1  HIS  -1           1HD      HIS  -1  13.389   0.489  -3.926
   60    HD2  HIS  -1           2HD      HIS  -1  12.564  -2.870  -6.228
   61    HE1  HIS  -1           1HE      HIS  -1  13.342   1.301  -6.306
   62    HE2  HIS  -1           2HE      HIS  -1  12.769  -0.735  -7.674
   63    H    MET   0           H        MET   0  10.802  -3.694  -2.667
   64    HA   MET   0           HA       MET   0   8.331  -2.339  -3.469
   65   1HB   MET   0          2HB       MET   0   9.580  -4.951  -4.071
   66   2HB   MET   0          1HB       MET   0   7.829  -4.963  -3.917
   67   1HG   MET   0          2HG       MET   0   9.271  -3.017  -5.687
   68   2HG   MET   0          1HG       MET   0   8.786  -4.621  -6.236
   69   1HE   MET   0          1HE       MET   0   8.088  -1.156  -6.252
   70   2HE   MET   0          2HE       MET   0   7.239  -1.170  -4.706
   71   3HE   MET   0          3HE       MET   0   6.343  -0.901  -6.201
   72    H    GLY   1           H        GLY   1   6.400  -2.629  -2.422
   73   1HA   GLY   1          2HA       GLY   1   5.447  -4.474  -0.754
   74   2HA   GLY   1          1HA       GLY   1   6.588  -3.649   0.299
   75    H    SER   2           H        SER   2   6.277  -1.032  -0.424
   76    HA   SER   2           HA       SER   2   3.600  -0.491   0.608
   77   1HB   SER   2          2HB       SER   2   6.007   1.317   0.291
   78   2HB   SER   2          1HB       SER   2   4.471   1.801   1.007
   79    HG   SER   2           HG       SER   2   4.868  -0.048   2.489
   80    H    ALA   3           H        ALA   3   5.656   0.216  -2.159
   81    HA   ALA   3           HA       ALA   3   3.791   1.998  -3.404
   82   1HB   ALA   3          1HB       ALA   3   5.845   2.481  -4.222
   83   2HB   ALA   3          2HB       ALA   3   5.382   1.294  -5.442
   84   3HB   ALA   3          3HB       ALA   3   6.410   0.815  -4.092
   85    H    GLY   4           H        GLY   4   4.455  -1.443  -3.542
   86   1HA   GLY   4          2HA       GLY   4   3.000  -2.020  -5.897
   87   2HA   GLY   4          1HA       GLY   4   3.402  -3.170  -4.630
   88    H    THR   5           H        THR   5   2.043  -1.893  -2.496
   89    HA   THR   5           HA       THR   5  -0.643  -2.776  -3.088
   90    HB   THR   5           HB       THR   5   0.431  -3.368  -0.956
   91    HG1  THR   5           1HG      THR   5  -1.788  -1.636  -0.627
   92   1HG2  THR   5          1HG2      THR   5   1.475  -0.924  -0.823
   93   2HG2  THR   5          2HG2      THR   5   1.200  -1.930   0.599
   94   3HG2  THR   5          3HG2      THR   5   0.042  -0.670   0.172
   95    H    GLN   6           H        GLN   6   1.023   0.247  -2.441
   96    HA   GLN   6           HA       GLN   6  -1.221   1.891  -2.061
   97   1HB   GLN   6          2HB       GLN   6   1.628   2.308  -2.777
   98   2HB   GLN   6          1HB       GLN   6   0.523   3.623  -3.147
   99   1HG   GLN   6          2HG       GLN   6  -0.024   3.956  -0.909
  100   2HG   GLN   6          1HG       GLN   6   0.583   2.371  -0.428
  101   1HE2  GLN   6          1HE2      GLN   6   1.686   5.417  -1.867
  102   2HE2  GLN   6          2HE2      GLN   6   3.215   5.442  -1.064
  103    H    GLU   7           H        GLU   7   0.541   0.987  -4.998
  104    HA   GLU   7           HA       GLU   7  -0.875   2.640  -6.778
  105   1HB   GLU   7          2HB       GLU   7   0.731   0.128  -7.098
  106   2HB   GLU   7          1HB       GLU   7  -0.149   0.790  -8.468
  107   1HG   GLU   7          2HG       GLU   7   1.211   2.960  -7.384
  108   2HG   GLU   7          1HG       GLU   7   2.356   1.619  -7.311
  109    H    GLU   8           H        GLU   8  -1.408  -0.716  -5.769
  110    HA   GLU   8           HA       GLU   8  -3.601  -1.231  -7.454
  111   1HB   GLU   8          2HB       GLU   8  -3.175  -2.461  -4.736
  112   2HB   GLU   8          1HB       GLU   8  -3.990  -3.169  -6.123
  113   1HG   GLU   8          2HG       GLU   8  -1.277  -2.455  -6.774
  114   2HG   GLU   8          1HG       GLU   8  -1.337  -3.513  -5.365
  115    H    LEU   9           H        LEU   9  -3.389   0.101  -4.192
  116    HA   LEU   9           HA       LEU   9  -6.120   0.111  -3.578
  117   1HB   LEU   9          2HB       LEU   9  -3.860   1.897  -2.698
  118   2HB   LEU   9          1HB       LEU   9  -5.486   2.054  -2.061
  119    HG   LEU   9           HG       LEU   9  -3.891  -0.497  -1.881
  120   1HD1  LEU   9          1HD1      LEU   9  -3.530   0.160   0.493
  121   2HD1  LEU   9          2HD1      LEU   9  -4.128   1.769   0.089
  122   3HD1  LEU   9          3HD1      LEU   9  -2.657   1.157  -0.670
  123   1HD2  LEU   9          1HD2      LEU   9  -6.553   0.418  -0.976
  124   2HD2  LEU   9          2HD2      LEU   9  -5.621  -0.562   0.156
  125   3HD2  LEU   9          3HD2      LEU   9  -6.002  -1.191  -1.446
  126    H    LEU  10           H        LEU  10  -4.111   2.468  -5.276
  127    HA   LEU  10           HA       LEU  10  -6.051   4.494  -5.513
  128   1HB   LEU  10          2HB       LEU  10  -3.443   3.860  -6.717
  129   2HB   LEU  10          1HB       LEU  10  -4.502   4.812  -7.742
  130    HG   LEU  10           HG       LEU  10  -3.014   6.248  -6.460
  131   1HD1  LEU  10          1HD1      LEU  10  -4.581   7.825  -6.093
  132   2HD1  LEU  10          2HD1      LEU  10  -5.562   6.771  -5.076
  133   3HD1  LEU  10          3HD1      LEU  10  -5.649   6.632  -6.832
  134   1HD2  LEU  10          1HD2      LEU  10  -2.574   6.012  -4.279
  135   2HD2  LEU  10          2HD2      LEU  10  -3.311   4.418  -4.445
  136   3HD2  LEU  10          3HD2      LEU  10  -4.273   5.778  -3.867
  137    H    ARG  11           H        ARG  11  -5.233   1.740  -7.565
  138    HA   ARG  11           HA       ARG  11  -6.862   2.359  -9.755
  139   1HB   ARG  11          2HB       ARG  11  -6.128  -0.373  -8.687
  140   2HB   ARG  11          1HB       ARG  11  -6.739  -0.032 -10.300
  141   1HG   ARG  11          2HG       ARG  11  -4.266   1.341  -9.368
  142   2HG   ARG  11          1HG       ARG  11  -4.183  -0.347  -9.878
  143   1HD   ARG  11          2HD       ARG  11  -5.191   0.264 -12.030
  144   2HD   ARG  11          1HD       ARG  11  -5.250   1.951 -11.518
  145    HE   ARG  11           HE       ARG  11  -2.636   1.325 -11.251
  146   1HH1  ARG  11          1HH1      ARG  11  -4.908   0.973 -13.876
  147   2HH1  ARG  11          2HH1      ARG  11  -3.703   1.140 -15.108
  148   1HH2  ARG  11          1HH2      ARG  11  -1.048   1.546 -12.869
  149   2HH2  ARG  11          2HH2      ARG  11  -1.511   1.465 -14.537
  150    H    TRP  12           H        TRP  12  -7.568   0.623  -6.760
  151    HA   TRP  12           HA       TRP  12 -10.196  -0.159  -7.468
  152   1HB   TRP  12          2HB       TRP  12  -8.965  -1.272  -5.675
  153   2HB   TRP  12          1HB       TRP  12  -8.943   0.218  -4.740
  154    HD1  TRP  12           HD       TRP  12 -11.384  -2.508  -5.937
  155    HE1  TRP  12           1HE      TRP  12 -13.435  -2.496  -4.383
  156    HE3  TRP  12           3HE      TRP  12 -10.254   1.615  -3.133
  157    HZ2  TRP  12           2HZ      TRP  12 -14.441  -0.944  -2.249
  158    HZ3  TRP  12           3HZ      TRP  12 -11.813   2.296  -1.356
  159    HH2  TRP  12           HH       TRP  12 -13.863   1.042  -0.925
  160    H    CYS  13           H        CYS  13  -8.892   2.632  -5.727
  161    HA   CYS  13           HA       CYS  13 -11.360   3.745  -4.959
  162   1HB   CYS  13          2HB       CYS  13  -8.764   5.191  -5.514
  163   2HB   CYS  13          1HB       CYS  13 -10.115   5.805  -4.568
  164    HG   CYS  13           HG       CYS  13  -9.131   3.285  -3.305
  165    H    GLN  14           H        GLN  14  -9.311   4.337  -7.802
  166    HA   GLN  14           HA       GLN  14 -10.882   6.369  -8.934
  167   1HB   GLN  14          2HB       GLN  14  -9.714   5.843 -11.039
  168   2HB   GLN  14          1HB       GLN  14  -8.606   5.952  -9.678
  169   1HG   GLN  14          2HG       GLN  14  -8.373   3.595  -9.571
  170   2HG   GLN  14          1HG       GLN  14  -9.689   3.352 -10.719
  171   1HE2  GLN  14          1HE2      GLN  14  -6.770   5.373 -10.641
  172   2HE2  GLN  14          2HE2      GLN  14  -6.175   4.869 -12.184
  173    H    GLU  15           H        GLU  15 -11.098   2.867  -9.120
  174    HA   GLU  15           HA       GLU  15 -12.961   2.742 -11.244
  175   1HB   GLU  15          2HB       GLU  15 -11.558   0.906  -9.700
  176   2HB   GLU  15          1HB       GLU  15 -13.240   0.597  -9.292
  177   1HG   GLU  15          2HG       GLU  15 -13.779  -0.070 -11.418
  178   2HG   GLU  15          1HG       GLU  15 -12.469   0.850 -12.157
  179    H    GLN  16           H        GLN  16 -13.353   2.764  -7.719
  180    HA   GLN  16           HA       GLN  16 -16.208   2.642  -7.829
  181   1HB   GLN  16          2HB       GLN  16 -14.235   3.233  -5.632
  182   2HB   GLN  16          1HB       GLN  16 -15.970   3.344  -5.370
  183   1HG   GLN  16          2HG       GLN  16 -14.718   0.858  -6.473
  184   2HG   GLN  16          1HG       GLN  16 -14.780   1.171  -4.739
  185   1HE2  GLN  16          1HE2      GLN  16 -17.009   1.811  -3.941
  186   2HE2  GLN  16          2HE2      GLN  16 -18.335   0.888  -4.556
  187    H    THR  17           H        THR  17 -13.839   5.189  -7.856
  188    HA   THR  17           HA       THR  17 -15.817   7.249  -7.317
  189    HB   THR  17           HB       THR  17 -13.849   8.793  -7.673
  190    HG1  THR  17           1HG      THR  17 -12.208   7.930  -8.612
  191   1HG2  THR  17          1HG2      THR  17 -13.638   8.655  -5.482
  192   2HG2  THR  17          2HG2      THR  17 -12.591   7.251  -5.687
  193   3HG2  THR  17          3HG2      THR  17 -14.330   7.033  -5.492
  194    H    ALA  18           H        ALA  18 -15.350   5.441  -9.915
  195    HA   ALA  18           HA       ALA  18 -15.106   7.466 -11.953
  196   1HB   ALA  18          1HB       ALA  18 -15.142   4.555 -11.843
  197   2HB   ALA  18          2HB       ALA  18 -14.332   5.636 -12.975
  198   3HB   ALA  18          3HB       ALA  18 -16.026   5.207 -13.222
  199    H    GLY  19           H        GLY  19 -16.710   8.637 -12.783
  200   1HA   GLY  19          2HA       GLY  19 -19.086   8.132 -13.750
  201   2HA   GLY  19          1HA       GLY  19 -19.462   7.944 -12.045
  202    H    TYR  20           H        TYR  20 -17.481  10.113 -11.387
  203    HA   TYR  20           HA       TYR  20 -19.334  12.317 -11.783
  204   1HB   TYR  20          2HB       TYR  20 -16.781  12.395 -10.186
  205   2HB   TYR  20          1HB       TYR  20 -18.191  13.436 -10.029
  206    HD1  TYR  20           1HD      TYR  20 -19.937  12.876  -8.551
  207    HD2  TYR  20           2HD      TYR  20 -17.001   9.959  -9.527
  208    HE1  TYR  20           1HE      TYR  20 -20.830  11.399  -6.800
  209    HE2  TYR  20           2HE      TYR  20 -17.885   8.473  -7.781
  210    HH   TYR  20           HH       TYR  20 -20.150   8.173  -6.594
  211    HA   PRO  21           HA       PRO  21 -16.912  13.803 -15.257
  212   1HB   PRO  21          2HB       PRO  21 -18.438  16.294 -14.783
  213   2HB   PRO  21          1HB       PRO  21 -18.313  15.313 -16.246
  214   1HG   PRO  21          2HG       PRO  21 -20.545  15.326 -14.776
  215   2HG   PRO  21          1HG       PRO  21 -19.966  13.846 -15.565
  216   1HD   PRO  21          2HD       PRO  21 -19.765  14.672 -12.696
  217   2HD   PRO  21          1HD       PRO  21 -20.104  13.071 -13.390
  218    H    GLY  22           H        GLY  22 -14.868  14.022 -14.347
  219   1HA   GLY  22          2HA       GLY  22 -13.276  15.936 -14.212
  220   2HA   GLY  22          1HA       GLY  22 -14.358  16.600 -12.996
  221    H    VAL  23           H        VAL  23 -14.528  13.470 -12.302
  222    HA   VAL  23           HA       VAL  23 -12.685  13.700 -10.111
  223    HB   VAL  23           HB       VAL  23 -14.857  12.597  -9.816
  224   1HG1  VAL  23          1HG1      VAL  23 -14.038  10.097 -11.120
  225   2HG1  VAL  23          2HG1      VAL  23 -14.406  11.425 -12.222
  226   3HG1  VAL  23          3HG1      VAL  23 -15.615  10.883 -11.056
  227   1HG2  VAL  23          1HG2      VAL  23 -12.498  11.874  -8.713
  228   2HG2  VAL  23          2HG2      VAL  23 -13.038  10.328  -9.365
  229   3HG2  VAL  23          3HG2      VAL  23 -14.059  11.211  -8.230
  230    H    HIS  24           H        HIS  24 -10.626  13.174 -10.161
  231    HA   HIS  24           HA       HIS  24  -9.736  10.996 -11.921
  232   1HB   HIS  24          2HB       HIS  24  -8.857  13.813 -11.906
  233   2HB   HIS  24          1HB       HIS  24  -7.554  12.629 -11.920
  234    HD1  HIS  24           1HD      HIS  24  -8.462  10.543 -13.822
  235    HD2  HIS  24           2HD      HIS  24  -9.213  14.579 -14.466
  236    HE1  HIS  24           1HE      HIS  24  -8.846  10.768 -16.297
  237    HE2  HIS  24           2HE      HIS  24  -9.377  13.206 -16.653
  238    H    VAL  25           H        VAL  25 -10.128  10.072  -9.638
  239    HA   VAL  25           HA       VAL  25  -8.293  10.653  -7.564
  240    HB   VAL  25           HB       VAL  25  -9.748   8.043  -7.986
  241   1HG1  VAL  25          1HG1      VAL  25  -7.931   8.159  -6.257
  242   2HG1  VAL  25          2HG1      VAL  25  -9.527   7.732  -5.637
  243   3HG1  VAL  25          3HG1      VAL  25  -8.903   9.366  -5.417
  244   1HG2  VAL  25          1HG2      VAL  25 -10.702  10.614  -6.737
  245   2HG2  VAL  25          2HG2      VAL  25 -11.499   9.056  -6.512
  246   3HG2  VAL  25          3HG2      VAL  25 -11.394   9.769  -8.121
  247    H    SER  26           H        SER  26  -6.190  10.623  -8.314
  248    HA   SER  26           HA       SER  26  -5.046   7.970  -8.641
  249   1HB   SER  26          2HB       SER  26  -5.584   9.328 -10.919
  250   2HB   SER  26          1HB       SER  26  -3.973   9.952 -10.560
  251    HG   SER  26           HG       SER  26  -3.378   7.655 -10.321
  252    H    ASP  27           H        ASP  27  -5.062  10.323  -6.733
  253    HA   ASP  27           HA       ASP  27  -2.161  10.398  -6.345
  254   1HB   ASP  27          2HB       ASP  27  -3.904  12.851  -6.043
  255   2HB   ASP  27          1HB       ASP  27  -2.153  12.762  -5.872
  256    H    LEU  28           H        LEU  28  -1.503  10.415  -4.210
  257    HA   LEU  28           HA       LEU  28  -3.610   9.807  -2.275
  258   1HB   LEU  28          2HB       LEU  28  -0.707   9.182  -2.498
  259   2HB   LEU  28          1HB       LEU  28  -1.405   9.273  -0.891
  260    HG   LEU  28           HG       LEU  28  -2.664   7.547  -2.996
  261   1HD1  LEU  28          1HD1      LEU  28  -1.247   5.754  -1.608
  262   2HD1  LEU  28          2HD1      LEU  28  -0.118   7.108  -1.563
  263   3HD1  LEU  28          3HD1      LEU  28  -0.677   6.476  -3.113
  264   1HD2  LEU  28          1HD2      LEU  28  -3.856   8.063  -0.877
  265   2HD2  LEU  28          2HD2      LEU  28  -2.535   7.290   0.003
  266   3HD2  LEU  28          3HD2      LEU  28  -3.527   6.345  -1.110
  267    H    SER  29           H        SER  29  -3.323  12.515  -3.035
  268    HA   SER  29           HA       SER  29  -2.987  13.693  -0.439
  269   1HB   SER  29          2HB       SER  29  -0.885  13.986  -2.511
  270   2HB   SER  29          1HB       SER  29  -1.355  15.457  -1.659
  271    HG   SER  29           HG       SER  29  -0.958  14.289   0.310
  272    H    SER  30           H        SER  30  -2.596  15.129  -3.665
  273    HA   SER  30           HA       SER  30  -4.396  17.224  -3.195
  274   1HB   SER  30          2HB       SER  30  -2.592  17.134  -4.968
  275   2HB   SER  30          1HB       SER  30  -3.679  16.121  -5.916
  276    HG   SER  30           HG       SER  30  -5.220  17.883  -5.723
  277    H    SER  31           H        SER  31  -4.845  14.123  -4.847
  278    HA   SER  31           HA       SER  31  -7.395  14.490  -5.852
  279   1HB   SER  31          2HB       SER  31  -5.646  12.253  -5.329
  280   2HB   SER  31          1HB       SER  31  -7.317  11.820  -4.970
  281    HG   SER  31           HG       SER  31  -6.491  13.064  -7.381
  282    H    TRP  32           H        TRP  32  -6.405  14.035  -2.557
  283    HA   TRP  32           HA       TRP  32  -9.183  13.608  -1.721
  284   1HB   TRP  32          2HB       TRP  32  -6.703  13.481  -0.004
  285   2HB   TRP  32          1HB       TRP  32  -8.316  12.904   0.405
  286    HD1  TRP  32           HD       TRP  32  -5.487  12.094  -2.120
  287    HE1  TRP  32           1HE      TRP  32  -5.568   9.570  -2.618
  288    HE3  TRP  32           3HE      TRP  32  -9.650  10.864   0.584
  289    HZ2  TRP  32           2HZ      TRP  32  -7.183   7.352  -1.955
  290    HZ3  TRP  32           3HZ      TRP  32 -10.395   8.519   0.597
  291    HH2  TRP  32           HH       TRP  32  -9.186   6.801  -0.646
  292    H    ALA  33           H        ALA  33  -7.204  16.164  -2.287
  293    HA   ALA  33           HA       ALA  33  -7.323  17.798  -0.057
  294   1HB   ALA  33          1HB       ALA  33  -7.354  19.692  -1.790
  295   2HB   ALA  33          2HB       ALA  33  -7.298  18.403  -2.993
  296   3HB   ALA  33          3HB       ALA  33  -5.997  18.565  -1.813
  297    H    ASP  34           H        ASP  34  -9.597  17.882  -2.816
  298    HA   ASP  34           HA       ASP  34 -11.479  19.458  -1.313
  299   1HB   ASP  34          2HB       ASP  34 -12.916  19.183  -3.356
  300   2HB   ASP  34          1HB       ASP  34 -11.334  19.890  -3.667
  301    H    GLY  35           H        GLY  35 -10.744  16.229  -1.250
  302   1HA   GLY  35          2HA       GLY  35 -11.800  14.480  -0.192
  303   2HA   GLY  35          1HA       GLY  35 -13.104  15.582   0.219
  304    H    LEU  36           H        LEU  36 -12.003  14.944  -3.054
  305    HA   LEU  36           HA       LEU  36 -14.660  14.283  -3.884
  306   1HB   LEU  36          2HB       LEU  36 -12.114  14.891  -5.140
  307   2HB   LEU  36          1HB       LEU  36 -12.941  13.579  -5.956
  308    HG   LEU  36           HG       LEU  36 -13.443  15.779  -6.946
  309   1HD1  LEU  36          1HD1      LEU  36 -16.036  15.037  -5.760
  310   2HD1  LEU  36          2HD1      LEU  36 -15.140  13.731  -6.536
  311   3HD1  LEU  36          3HD1      LEU  36 -15.556  15.180  -7.451
  312   1HD2  LEU  36          1HD2      LEU  36 -13.896  17.558  -5.700
  313   2HD2  LEU  36          2HD2      LEU  36 -13.673  16.573  -4.254
  314   3HD2  LEU  36          3HD2      LEU  36 -15.277  16.740  -4.969
  315    H    ALA  37           H        ALA  37 -11.650  12.454  -3.465
  316    HA   ALA  37           HA       ALA  37 -12.582  10.005  -4.477
  317   1HB   ALA  37          1HB       ALA  37 -10.565   9.183  -3.884
  318   2HB   ALA  37          2HB       ALA  37 -10.632   9.889  -2.268
  319   3HB   ALA  37          3HB       ALA  37 -10.182  10.888  -3.650
  320    H    LEU  38           H        LEU  38 -12.488  11.250  -1.147
  321    HA   LEU  38           HA       LEU  38 -13.639   8.956   0.041
  322   1HB   LEU  38          2HB       LEU  38 -13.196  11.785   0.880
  323   2HB   LEU  38          1HB       LEU  38 -14.282  10.790   1.833
  324    HG   LEU  38           HG       LEU  38 -11.411  10.081   1.232
  325   1HD1  LEU  38          1HD1      LEU  38 -11.023  11.767   2.684
  326   2HD1  LEU  38          2HD1      LEU  38 -11.450  10.534   3.871
  327   3HD1  LEU  38          3HD1      LEU  38 -12.654  11.713   3.354
  328   1HD2  LEU  38          1HD2      LEU  38 -13.646   8.733   2.617
  329   2HD2  LEU  38          2HD2      LEU  38 -12.069   8.658   3.403
  330   3HD2  LEU  38          3HD2      LEU  38 -12.265   8.052   1.758
  331    H    CYS  39           H        CYS  39 -15.017  12.036  -1.045
  332    HA   CYS  39           HA       CYS  39 -17.663  11.547  -0.249
  333   1HB   CYS  39          2HB       CYS  39 -16.347  13.368  -2.214
  334   2HB   CYS  39          1HB       CYS  39 -18.094  13.183  -2.286
  335    HG   CYS  39           HG       CYS  39 -16.693  14.954  -0.398
  336    H    ALA  40           H        ALA  40 -16.017  10.956  -3.339
  337    HA   ALA  40           HA       ALA  40 -18.178  10.034  -4.818
  338   1HB   ALA  40          1HB       ALA  40 -15.246   9.704  -4.954
  339   2HB   ALA  40          2HB       ALA  40 -16.386  10.263  -6.179
  340   3HB   ALA  40          3HB       ALA  40 -16.214   8.537  -5.856
  341    H    LEU  41           H        LEU  41 -16.077   8.280  -2.573
  342    HA   LEU  41           HA       LEU  41 -17.074   5.700  -3.096
  343   1HB   LEU  41          2HB       LEU  41 -15.797   6.890  -0.638
  344   2HB   LEU  41          1HB       LEU  41 -16.201   5.190  -0.780
  345    HG   LEU  41           HG       LEU  41 -14.314   6.642  -2.635
  346   1HD1  LEU  41          1HD1      LEU  41 -13.697   4.823  -0.310
  347   2HD1  LEU  41          2HD1      LEU  41 -13.422   6.566  -0.362
  348   3HD1  LEU  41          3HD1      LEU  41 -12.525   5.498  -1.443
  349   1HD2  LEU  41          1HD2      LEU  41 -15.402   4.688  -3.622
  350   2HD2  LEU  41          2HD2      LEU  41 -14.882   3.704  -2.254
  351   3HD2  LEU  41          3HD2      LEU  41 -13.685   4.397  -3.349
  352    H    VAL  42           H        VAL  42 -17.911   8.007  -0.512
  353    HA   VAL  42           HA       VAL  42 -19.922   6.481   0.688
  354    HB   VAL  42           HB       VAL  42 -19.933   9.493   0.533
  355   1HG1  VAL  42          1HG1      VAL  42 -21.911   8.388   1.520
  356   2HG1  VAL  42          2HG1      VAL  42 -21.023   9.375   2.682
  357   3HG1  VAL  42          3HG1      VAL  42 -20.857   7.619   2.707
  358   1HG2  VAL  42          1HG2      VAL  42 -18.665   9.022   2.844
  359   2HG2  VAL  42          2HG2      VAL  42 -17.817   9.293   1.322
  360   3HG2  VAL  42          3HG2      VAL  42 -18.073   7.649   1.907
  361    H    TYR  43           H        TYR  43 -20.183   9.023  -1.786
  362    HA   TYR  43           HA       TYR  43 -22.942   9.026  -2.095
  363   1HB   TYR  43          2HB       TYR  43 -21.388  10.676  -3.108
  364   2HB   TYR  43          1HB       TYR  43 -20.880   9.453  -4.266
  365    HD1  TYR  43           1HD      TYR  43 -22.195   8.960  -6.189
  366    HD2  TYR  43           2HD      TYR  43 -23.719  11.546  -3.175
  367    HE1  TYR  43           1HE      TYR  43 -24.026   9.622  -7.690
  368    HE2  TYR  43           2HE      TYR  43 -25.555  12.215  -4.666
  369    HH   TYR  43           HH       TYR  43 -26.766  11.233  -6.650
  370    H    ARG  44           H        ARG  44 -20.515   6.907  -3.523
  371    HA   ARG  44           HA       ARG  44 -22.180   5.623  -5.390
  372   1HB   ARG  44          2HB       ARG  44 -19.499   5.409  -4.517
  373   2HB   ARG  44          1HB       ARG  44 -20.204   3.807  -4.364
  374   1HG   ARG  44          2HG       ARG  44 -20.883   5.097  -6.881
  375   2HG   ARG  44          1HG       ARG  44 -19.145   4.908  -6.649
  376   1HD   ARG  44          2HD       ARG  44 -19.364   2.796  -7.310
  377   2HD   ARG  44          1HD       ARG  44 -20.258   2.486  -5.821
  378    HE   ARG  44           HE       ARG  44 -22.154   3.462  -7.481
  379   1HH1  ARG  44          1HH1      ARG  44 -19.798   0.908  -7.801
  380   2HH1  ARG  44          2HH1      ARG  44 -20.781  -0.037  -8.869
  381   1HH2  ARG  44          1HH2      ARG  44 -23.448   2.222  -8.886
  382   2HH2  ARG  44          2HH2      ARG  44 -22.854   0.709  -9.485
  383    H    LEU  45           H        LEU  45 -21.427   4.883  -2.010
  384    HA   LEU  45           HA       LEU  45 -22.978   2.481  -1.965
  385   1HB   LEU  45          2HB       LEU  45 -21.510   4.128   0.022
  386   2HB   LEU  45          1HB       LEU  45 -22.772   3.077   0.634
  387    HG   LEU  45           HG       LEU  45 -20.480   2.085   0.688
  388   1HD1  LEU  45          1HD1      LEU  45 -22.705   0.810   0.503
  389   2HD1  LEU  45          2HD1      LEU  45 -21.209  -0.060   0.168
  390   3HD1  LEU  45          3HD1      LEU  45 -22.220   0.500  -1.164
  391   1HD2  LEU  45          1HD2      LEU  45 -19.648   3.047  -1.400
  392   2HD2  LEU  45          2HD2      LEU  45 -20.799   2.069  -2.311
  393   3HD2  LEU  45          3HD2      LEU  45 -19.507   1.289  -1.399
  394    H    GLN  46           H        GLN  46 -23.566   5.852  -1.194
  395    HA   GLN  46           HA       GLN  46 -26.423   5.347  -1.175
  396   1HB   GLN  46          2HB       GLN  46 -24.872   6.001   1.248
  397   2HB   GLN  46          1HB       GLN  46 -26.310   6.981   0.997
  398   1HG   GLN  46          2HG       GLN  46 -27.324   4.531   0.539
  399   2HG   GLN  46          1HG       GLN  46 -26.052   4.136   1.694
  400   1HE2  GLN  46          1HE2      GLN  46 -26.191   4.893   3.792
  401   2HE2  GLN  46          2HE2      GLN  46 -27.646   5.563   4.444
  402    HA   PRO  47           HA       PRO  47 -25.197   9.287  -3.258
  403   1HB   PRO  47          2HB       PRO  47 -26.862   8.987  -5.376
  404   2HB   PRO  47          1HB       PRO  47 -25.251   8.261  -5.316
  405   1HG   PRO  47          2HG       PRO  47 -27.915   7.012  -4.754
  406   2HG   PRO  47          1HG       PRO  47 -26.546   6.362  -5.676
  407   1HD   PRO  47          2HD       PRO  47 -27.054   5.638  -3.116
  408   2HD   PRO  47          1HD       PRO  47 -25.409   5.719  -3.776
  409    H    GLY  48           H        GLY  48 -28.405   7.877  -2.793
  410   1HA   GLY  48          2HA       GLY  48 -29.891  10.255  -3.038
  411   2HA   GLY  48          1HA       GLY  48 -30.411   8.811  -2.183
  412    H    LEU  49           H        LEU  49 -28.214   8.824  -0.302
  413    HA   LEU  49           HA       LEU  49 -29.239  10.900   1.479
  414   1HB   LEU  49          2HB       LEU  49 -27.647   8.390   1.916
  415   2HB   LEU  49          1HB       LEU  49 -27.819   9.594   3.176
  416    HG   LEU  49           HG       LEU  49 -29.410   7.670   3.338
  417   1HD1  LEU  49          1HD1      LEU  49 -30.473  10.469   3.054
  418   2HD1  LEU  49          2HD1      LEU  49 -29.959   9.643   4.526
  419   3HD1  LEU  49          3HD1      LEU  49 -31.427   9.130   3.693
  420   1HD2  LEU  49          1HD2      LEU  49 -31.062   7.273   1.792
  421   2HD2  LEU  49          2HD2      LEU  49 -29.722   7.743   0.745
  422   3HD2  LEU  49          3HD2      LEU  49 -30.989   8.908   1.132
  423    H    LEU  50           H        LEU  50 -27.206  11.304  -0.759
  424    HA   LEU  50           HA       LEU  50 -25.339  12.854   0.863
  425   1HB   LEU  50          2HB       LEU  50 -24.655  10.513  -0.736
  426   2HB   LEU  50          1HB       LEU  50 -23.728  11.930  -1.188
  427    HG   LEU  50           HG       LEU  50 -22.465  10.716   0.432
  428   1HD1  LEU  50          1HD1      LEU  50 -23.692  12.936   2.029
  429   2HD1  LEU  50          2HD1      LEU  50 -22.694  13.259   0.612
  430   3HD1  LEU  50          3HD1      LEU  50 -22.015  12.393   1.990
  431   1HD2  LEU  50          1HD2      LEU  50 -24.841   9.820   1.388
  432   2HD2  LEU  50          2HD2      LEU  50 -24.378  10.968   2.644
  433   3HD2  LEU  50          3HD2      LEU  50 -23.296   9.640   2.221
  434    H    GLU  51           H        GLU  51 -24.006  14.337  -0.555
  435    HA   GLU  51           HA       GLU  51 -25.032  14.999  -3.152
  436   1HB   GLU  51          2HB       GLU  51 -25.700  16.719  -0.770
  437   2HB   GLU  51          1HB       GLU  51 -25.630  17.379  -2.398
  438   1HG   GLU  51          2HG       GLU  51 -27.252  15.346  -2.891
  439   2HG   GLU  51          1HG       GLU  51 -27.605  15.541  -1.175
  440    HA   PRO  52           HA       PRO  52 -20.647  16.310  -1.704
  441   1HB   PRO  52          2HB       PRO  52 -19.339  14.645  -3.465
  442   2HB   PRO  52          1HB       PRO  52 -19.654  14.263  -1.768
  443   1HG   PRO  52          2HG       PRO  52 -21.162  13.426  -4.212
  444   2HG   PRO  52          1HG       PRO  52 -20.730  12.474  -2.779
  445   1HD   PRO  52          2HD       PRO  52 -23.200  13.455  -3.105
  446   2HD   PRO  52          1HD       PRO  52 -22.438  13.389  -1.503
  447    H    SER  53           H        SER  53 -22.459  15.987  -4.629
  448    HA   SER  53           HA       SER  53 -20.742  17.099  -6.506
  449   1HB   SER  53          2HB       SER  53 -23.744  17.347  -6.234
  450   2HB   SER  53          1HB       SER  53 -22.842  17.888  -7.650
  451    HG   SER  53           HG       SER  53 -22.696  15.243  -6.650
  452    H    GLU  54           H        GLU  54 -22.855  18.669  -4.160
  453    HA   GLU  54           HA       GLU  54 -22.277  21.325  -5.025
  454   1HB   GLU  54          2HB       GLU  54 -24.096  20.125  -3.283
  455   2HB   GLU  54          1HB       GLU  54 -23.091  21.125  -2.244
  456   1HG   GLU  54          2HG       GLU  54 -23.558  23.060  -3.688
  457   2HG   GLU  54          1HG       GLU  54 -24.616  22.046  -4.670
  458    H    LEU  55           H        LEU  55 -21.192  19.376  -2.258
  459    HA   LEU  55           HA       LEU  55 -19.364  21.335  -1.299
  460   1HB   LEU  55          2HB       LEU  55 -19.269  18.386  -0.713
  461   2HB   LEU  55          1HB       LEU  55 -18.681  19.701   0.286
  462    HG   LEU  55           HG       LEU  55 -21.583  19.692  -0.329
  463   1HD1  LEU  55          1HD1      LEU  55 -20.682  17.965   1.917
  464   2HD1  LEU  55          2HD1      LEU  55 -20.688  17.291   0.287
  465   3HD1  LEU  55          3HD1      LEU  55 -22.179  17.924   0.986
  466   1HD2  LEU  55          1HD2      LEU  55 -19.857  20.341   2.050
  467   2HD2  LEU  55          2HD2      LEU  55 -21.621  20.347   2.102
  468   3HD2  LEU  55          3HD2      LEU  55 -20.767  21.457   1.029
  469    H    GLN  56           H        GLN  56 -19.203  19.268  -3.947
  470    HA   GLN  56           HA       GLN  56 -16.540  18.420  -3.918
  471   1HB   GLN  56          2HB       GLN  56 -18.184  17.544  -5.498
  472   2HB   GLN  56          1HB       GLN  56 -18.300  19.117  -6.275
  473   1HG   GLN  56          2HG       GLN  56 -15.587  18.472  -6.326
  474   2HG   GLN  56          1HG       GLN  56 -16.432  16.978  -6.726
  475   1HE2  GLN  56          1HE2      GLN  56 -15.252  19.869  -7.905
  476   2HE2  GLN  56          2HE2      GLN  56 -16.054  19.879  -9.434
  477    H    GLY  57           H        GLY  57 -17.955  21.509  -4.747
  478   1HA   GLY  57          2HA       GLY  57 -15.218  22.542  -5.141
  479   2HA   GLY  57          1HA       GLY  57 -16.523  23.016  -6.219
  480    H    LEU  58           H        LEU  58 -17.802  22.665  -3.164
  481    HA   LEU  58           HA       LEU  58 -17.890  25.545  -2.813
  482   1HB   LEU  58          2HB       LEU  58 -19.528  23.273  -2.042
  483   2HB   LEU  58          1HB       LEU  58 -19.267  24.371  -0.701
  484    HG   LEU  58           HG       LEU  58 -19.909  26.053  -2.807
  485   1HD1  LEU  58          1HD1      LEU  58 -21.990  25.164  -3.715
  486   2HD1  LEU  58          2HD1      LEU  58 -21.716  23.642  -2.866
  487   3HD1  LEU  58          3HD1      LEU  58 -20.618  24.145  -4.150
  488   1HD2  LEU  58          1HD2      LEU  58 -21.212  25.051  -0.351
  489   2HD2  LEU  58          2HD2      LEU  58 -22.247  25.875  -1.518
  490   3HD2  LEU  58          3HD2      LEU  58 -20.841  26.701  -0.849
  491    H    GLY  59           H        GLY  59 -16.371  22.760  -1.403
  492   1HA   GLY  59          2HA       GLY  59 -14.462  24.239   0.005
  493   2HA   GLY  59          1HA       GLY  59 -15.747  23.838   1.133
  494    H    ALA  60           H        ALA  60 -12.853  22.969   0.779
  495    HA   ALA  60           HA       ALA  60 -12.951  20.181   0.152
  496   1HB   ALA  60          1HB       ALA  60 -10.636  20.322   1.402
  497   2HB   ALA  60          2HB       ALA  60 -10.891  22.056   1.199
  498   3HB   ALA  60          3HB       ALA  60 -10.844  21.000  -0.213
  499    H    LEU  61           H        LEU  61 -12.312  21.898   3.218
  500    HA   LEU  61           HA       LEU  61 -12.493  19.634   4.859
  501   1HB   LEU  61          2HB       LEU  61 -12.899  22.563   5.430
  502   2HB   LEU  61          1HB       LEU  61 -12.949  21.341   6.686
  503    HG   LEU  61           HG       LEU  61 -10.544  21.360   4.954
  504   1HD1  LEU  61          1HD1      LEU  61  -9.602  23.285   5.718
  505   2HD1  LEU  61          2HD1      LEU  61 -10.547  23.288   7.207
  506   3HD1  LEU  61          3HD1      LEU  61 -11.291  23.792   5.690
  507   1HD2  LEU  61          1HD2      LEU  61  -9.471  20.907   7.145
  508   2HD2  LEU  61          2HD2      LEU  61 -10.716  19.735   6.714
  509   3HD2  LEU  61          3HD2      LEU  61 -11.063  20.994   7.899
  510    H    GLU  62           H        GLU  62 -14.942  21.909   3.749
  511    HA   GLU  62           HA       GLU  62 -17.041  21.070   5.420
  512   1HB   GLU  62          2HB       GLU  62 -16.843  23.116   3.804
  513   2HB   GLU  62          1HB       GLU  62 -17.533  22.015   2.620
  514   1HG   GLU  62          2HG       GLU  62 -19.541  21.830   3.779
  515   2HG   GLU  62          1HG       GLU  62 -18.840  22.435   5.278
  516    H    ALA  63           H        ALA  63 -16.116  20.041   2.150
  517    HA   ALA  63           HA       ALA  63 -18.213  18.183   1.812
  518   1HB   ALA  63          1HB       ALA  63 -16.530  19.216   0.094
  519   2HB   ALA  63          2HB       ALA  63 -17.209  17.612  -0.173
  520   3HB   ALA  63          3HB       ALA  63 -15.578  17.782   0.477
  521    H    THR  64           H        THR  64 -14.902  17.842   3.019
  522    HA   THR  64           HA       THR  64 -14.972  15.026   3.295
  523    HB   THR  64           HB       THR  64 -13.114  15.702   5.107
  524    HG1  THR  64           1HG      THR  64 -13.001  17.911   3.366
  525   1HG2  THR  64          1HG2      THR  64 -12.719  16.001   2.140
  526   2HG2  THR  64          2HG2      THR  64 -12.617  14.498   3.058
  527   3HG2  THR  64          3HG2      THR  64 -11.445  15.786   3.340
  528    H    ALA  65           H        ALA  65 -15.401  17.645   5.670
  529    HA   ALA  65           HA       ALA  65 -15.885  16.045   7.901
  530   1HB   ALA  65          1HB       ALA  65 -16.977  18.789   7.293
  531   2HB   ALA  65          2HB       ALA  65 -15.436  18.429   8.070
  532   3HB   ALA  65          3HB       ALA  65 -16.947  18.024   8.882
  533    H    TRP  66           H        TRP  66 -18.145  17.344   5.501
  534    HA   TRP  66           HA       TRP  66 -20.494  16.379   6.751
  535   1HB   TRP  66          2HB       TRP  66 -20.055  18.093   4.729
  536   2HB   TRP  66          1HB       TRP  66 -20.453  16.655   3.795
  537    HD1  TRP  66           HD       TRP  66 -22.002  18.853   6.582
  538    HE1  TRP  66           1HE      TRP  66 -24.562  18.748   6.345
  539    HE3  TRP  66           3HE      TRP  66 -22.327  15.440   2.788
  540    HZ2  TRP  66           2HZ      TRP  66 -26.469  17.397   4.759
  541    HZ3  TRP  66           3HZ      TRP  66 -24.558  14.796   1.971
  542    HH2  TRP  66           HH       TRP  66 -26.584  15.754   2.938
  543    H    ALA  67           H        ALA  67 -18.514  15.098   4.092
  544    HA   ALA  67           HA       ALA  67 -20.053  12.815   3.575
  545   1HB   ALA  67          1HB       ALA  67 -17.091  12.743   3.237
  546   2HB   ALA  67          2HB       ALA  67 -18.043  13.882   2.284
  547   3HB   ALA  67          3HB       ALA  67 -18.362  12.151   2.168
  548    H    LEU  68           H        LEU  68 -17.238  13.254   5.702
  549    HA   LEU  68           HA       LEU  68 -17.066  10.576   6.554
  550   1HB   LEU  68          2HB       LEU  68 -16.056  13.189   7.576
  551   2HB   LEU  68          1HB       LEU  68 -15.974  11.792   8.631
  552    HG   LEU  68           HG       LEU  68 -14.794  11.811   5.858
  553   1HD1  LEU  68          1HD1      LEU  68 -13.192  12.163   8.362
  554   2HD1  LEU  68          2HD1      LEU  68 -13.868  13.556   7.518
  555   3HD1  LEU  68          3HD1      LEU  68 -12.736  12.487   6.690
  556   1HD2  LEU  68          1HD2      LEU  68 -13.800   9.807   6.411
  557   2HD2  LEU  68          2HD2      LEU  68 -15.363   9.663   7.218
  558   3HD2  LEU  68          3HD2      LEU  68 -13.927  10.098   8.146
  559    H    LYS  69           H        LYS  69 -18.699  13.386   7.990
  560    HA   LYS  69           HA       LYS  69 -19.644  12.053  10.286
  561   1HB   LYS  69          2HB       LYS  69 -19.552  14.499  10.105
  562   2HB   LYS  69          1HB       LYS  69 -20.798  14.460   8.866
  563   1HG   LYS  69          2HG       LYS  69 -21.643  13.079  11.259
  564   2HG   LYS  69          1HG       LYS  69 -21.169  14.744  11.598
  565   1HD   LYS  69          2HD       LYS  69 -23.001  15.557  10.612
  566   2HD   LYS  69          1HD       LYS  69 -22.768  14.545   9.186
  567   1HE   LYS  69          2HE       LYS  69 -23.657  12.638  10.687
  568   2HE   LYS  69          1HE       LYS  69 -24.261  13.938  11.712
  569   1HZ   LYS  69          1HZ       LYS  69 -25.273  14.812   9.529
  570   2HZ   LYS  69          2HZ       LYS  69 -26.026  13.514  10.311
  571   3HZ   LYS  69          3HZ       LYS  69 -25.046  13.234   8.962
  572    H    VAL  70           H        VAL  70 -21.217  12.738   7.168
  573    HA   VAL  70           HA       VAL  70 -23.654  11.443   7.833
  574    HB   VAL  70           HB       VAL  70 -22.538  11.930   5.066
  575   1HG1  VAL  70          1HG1      VAL  70 -24.444  10.379   5.170
  576   2HG1  VAL  70          2HG1      VAL  70 -24.858  11.886   4.352
  577   3HG1  VAL  70          3HG1      VAL  70 -25.385  11.609   6.012
  578   1HG2  VAL  70          1HG2      VAL  70 -22.839  13.897   6.828
  579   2HG2  VAL  70          2HG2      VAL  70 -24.516  13.767   6.296
  580   3HG2  VAL  70          3HG2      VAL  70 -23.241  14.095   5.122
  581    H    ALA  71           H        ALA  71 -20.692  10.371   6.238
  582    HA   ALA  71           HA       ALA  71 -21.546   7.919   5.248
  583   1HB   ALA  71          1HB       ALA  71 -19.429   8.405   4.543
  584   2HB   ALA  71          2HB       ALA  71 -19.051   7.275   5.842
  585   3HB   ALA  71          3HB       ALA  71 -18.922   9.012   6.119
  586    H    GLU  72           H        GLU  72 -20.262   8.718   8.455
  587    HA   GLU  72           HA       GLU  72 -20.483   6.070   9.473
  588   1HB   GLU  72          2HB       GLU  72 -20.112   7.120  11.677
  589   2HB   GLU  72          1HB       GLU  72 -18.935   7.647  10.481
  590   1HG   GLU  72          2HG       GLU  72 -19.991   9.756  10.247
  591   2HG   GLU  72          1HG       GLU  72 -21.393   9.230  11.179
  592    H    ASN  73           H        ASN  73 -22.571   8.902   9.469
  593    HA   ASN  73           HA       ASN  73 -24.497   7.864  11.274
  594   1HB   ASN  73          2HB       ASN  73 -24.063  10.313  10.308
  595   2HB   ASN  73          1HB       ASN  73 -25.327   9.815   9.188
  596   1HD2  ASN  73          1HD2      ASN  73 -24.653   9.582  12.668
  597   2HD2  ASN  73          2HD2      ASN  73 -26.235  10.057  13.177
  598    H    GLU  74           H        GLU  74 -24.234   7.859   7.749
  599    HA   GLU  74           HA       GLU  74 -26.765   6.531   7.402
  600   1HB   GLU  74          2HB       GLU  74 -24.734   7.753   5.689
  601   2HB   GLU  74          1HB       GLU  74 -25.435   6.295   5.001
  602   1HG   GLU  74          2HG       GLU  74 -26.721   8.104   4.211
  603   2HG   GLU  74          1HG       GLU  74 -27.694   7.295   5.439
  604    H    LEU  75           H        LEU  75 -23.347   5.596   7.189
  605    HA   LEU  75           HA       LEU  75 -24.156   2.825   6.711
  606   1HB   LEU  75          2HB       LEU  75 -21.955   4.443   5.884
  607   2HB   LEU  75          1HB       LEU  75 -21.332   3.071   6.781
  608    HG   LEU  75           HG       LEU  75 -22.824   1.640   5.238
  609   1HD1  LEU  75          1HD1      LEU  75 -22.700   4.199   3.650
  610   2HD1  LEU  75          2HD1      LEU  75 -24.152   3.437   4.302
  611   3HD1  LEU  75          3HD1      LEU  75 -23.229   2.635   3.031
  612   1HD2  LEU  75          1HD2      LEU  75 -21.050   1.927   3.361
  613   2HD2  LEU  75          2HD2      LEU  75 -20.548   1.355   4.953
  614   3HD2  LEU  75          3HD2      LEU  75 -20.288   3.040   4.500
  615    H    GLY  76           H        GLY  76 -21.917   4.607   8.850
  616   1HA   GLY  76          2HA       GLY  76 -22.006   4.176  11.251
  617   2HA   GLY  76          1HA       GLY  76 -22.388   2.505  10.870
  618    H    ILE  77           H        ILE  77 -19.950   4.196   9.064
  619    HA   ILE  77           HA       ILE  77 -17.959   2.292   9.936
  620    HB   ILE  77           HB       ILE  77 -17.553   4.637   8.084
  621   1HG1  ILE  77          2HG1      ILE  77 -19.400   3.301   7.233
  622   2HG1  ILE  77          1HG1      ILE  77 -17.970   3.035   6.242
  623   1HG2  ILE  77          1HG2      ILE  77 -15.564   3.431   9.061
  624   2HG2  ILE  77          2HG2      ILE  77 -15.643   3.479   7.300
  625   3HG2  ILE  77          3HG2      ILE  77 -16.093   2.008   8.163
  626   1HD1  ILE  77          1HD1      ILE  77 -17.556   0.941   7.481
  627   2HD1  ILE  77          2HD1      ILE  77 -19.091   0.948   6.613
  628   3HD1  ILE  77          3HD1      ILE  77 -19.064   1.199   8.358
  629    H    THR  78           H        THR  78 -16.398   2.617  11.391
  630    HA   THR  78           HA       THR  78 -16.412   4.986  12.987
  631    HB   THR  78           HB       THR  78 -14.394   2.739  13.006
  632    HG1  THR  78           1HG      THR  78 -16.818   2.986  14.454
  633   1HG2  THR  78          1HG2      THR  78 -13.506   4.361  14.395
  634   2HG2  THR  78          2HG2      THR  78 -14.422   3.335  15.500
  635   3HG2  THR  78          3HG2      THR  78 -15.092   4.878  14.970
  636    HA   PRO  79           HA       PRO  79 -13.669   7.267  10.235
  637   1HB   PRO  79          2HB       PRO  79 -13.568   9.076  12.587
  638   2HB   PRO  79          1HB       PRO  79 -13.965   9.438  10.904
  639   1HG   PRO  79          2HG       PRO  79 -15.869   9.354  12.768
  640   2HG   PRO  79          1HG       PRO  79 -16.162   8.734  11.131
  641   1HD   PRO  79          2HD       PRO  79 -15.604   7.230  13.657
  642   2HD   PRO  79          1HD       PRO  79 -16.728   6.842  12.337
  643    H    VAL  80           H        VAL  80 -11.465   7.623  10.113
  644    HA   VAL  80           HA       VAL  80  -9.836   7.090  12.484
  645    HB   VAL  80           HB       VAL  80  -9.265   5.713   9.863
  646   1HG1  VAL  80          1HG1      VAL  80  -7.999   5.769  12.557
  647   2HG1  VAL  80          2HG1      VAL  80  -7.254   5.777  10.958
  648   3HG1  VAL  80          3HG1      VAL  80  -7.923   4.282  11.613
  649   1HG2  VAL  80          1HG2      VAL  80 -10.718   4.699  12.296
  650   2HG2  VAL  80          2HG2      VAL  80  -9.978   3.631  11.102
  651   3HG2  VAL  80          3HG2      VAL  80 -11.278   4.722  10.623
  652    H    VAL  81           H        VAL  81 -10.522   9.345  10.485
  653    HA   VAL  81           HA       VAL  81  -7.802  10.355  10.325
  654    HB   VAL  81           HB       VAL  81  -8.149  11.109   7.952
  655   1HG1  VAL  81          1HG1      VAL  81  -7.039   9.296   7.171
  656   2HG1  VAL  81          2HG1      VAL  81  -8.205   8.155   7.841
  657   3HG1  VAL  81          3HG1      VAL  81  -6.989   8.887   8.886
  658   1HG2  VAL  81          1HG2      VAL  81  -9.787   9.382   6.768
  659   2HG2  VAL  81          2HG2      VAL  81 -10.344  10.941   7.373
  660   3HG2  VAL  81          3HG2      VAL  81 -10.601   9.482   8.329
  661    H    SER  82           H        SER  82  -7.733  12.671   9.806
  662    HA   SER  82           HA       SER  82 -10.217  14.016  10.638
  663   1HB   SER  82          2HB       SER  82  -8.482  14.321  12.293
  664   2HB   SER  82          1HB       SER  82  -7.330  14.821  11.055
  665    HG   SER  82           HG       SER  82  -8.023  16.727  11.702
  666    H    ALA  83           H        ALA  83 -10.790  15.983   9.632
  667    HA   ALA  83           HA       ALA  83 -10.434  16.068   6.859
  668   1HB   ALA  83          1HB       ALA  83 -11.764  17.986   6.865
  669   2HB   ALA  83          2HB       ALA  83 -11.205  18.480   8.463
  670   3HB   ALA  83          3HB       ALA  83 -12.291  17.102   8.297
  671    H    GLN  84           H        GLN  84  -8.889  17.946   9.438
  672    HA   GLN  84           HA       GLN  84  -7.447  19.733   7.869
  673   1HB   GLN  84          2HB       GLN  84  -6.593  18.493  10.492
  674   2HB   GLN  84          1HB       GLN  84  -5.949  19.972   9.794
  675   1HG   GLN  84          2HG       GLN  84  -7.448  21.004  11.075
  676   2HG   GLN  84          1HG       GLN  84  -8.620  20.505   9.856
  677   1HE2  GLN  84          1HE2      GLN  84  -7.231  19.736  12.977
  678   2HE2  GLN  84          2HE2      GLN  84  -8.539  18.753  13.531
  679    H    ALA  85           H        ALA  85  -6.557  16.482   8.973
  680    HA   ALA  85           HA       ALA  85  -3.962  16.503   7.828
  681   1HB   ALA  85          1HB       ALA  85  -3.963  14.826   9.319
  682   2HB   ALA  85          2HB       ALA  85  -4.585  13.858   7.981
  683   3HB   ALA  85          3HB       ALA  85  -5.698  14.552   9.159
  684    H    VAL  86           H        VAL  86  -7.120  15.442   6.669
  685    HA   VAL  86           HA       VAL  86  -6.206  14.161   4.318
  686    HB   VAL  86           HB       VAL  86  -8.897  15.466   4.731
  687   1HG1  VAL  86          1HG1      VAL  86  -7.903  14.423   2.450
  688   2HG1  VAL  86          2HG1      VAL  86  -9.614  14.407   2.875
  689   3HG1  VAL  86          3HG1      VAL  86  -8.617  12.983   3.173
  690   1HG2  VAL  86          1HG2      VAL  86  -8.748  12.589   5.151
  691   2HG2  VAL  86          2HG2      VAL  86  -9.522  13.837   6.127
  692   3HG2  VAL  86          3HG2      VAL  86  -7.802  13.504   6.324
  693    H    VAL  87           H        VAL  87  -7.568  17.414   4.846
  694    HA   VAL  87           HA       VAL  87  -7.312  18.289   2.187
  695    HB   VAL  87           HB       VAL  87  -7.206  20.028   4.654
  696   1HG1  VAL  87          1HG1      VAL  87  -7.839  20.540   1.764
  697   2HG1  VAL  87          2HG1      VAL  87  -6.664  21.352   2.797
  698   3HG1  VAL  87          3HG1      VAL  87  -8.390  21.621   3.044
  699   1HG2  VAL  87          1HG2      VAL  87  -9.212  18.259   4.061
  700   2HG2  VAL  87          2HG2      VAL  87  -9.779  19.744   3.298
  701   3HG2  VAL  87          3HG2      VAL  87  -9.396  19.728   5.017
  702    H    ALA  88           H        ALA  88  -5.045  18.185   4.846
  703    HA   ALA  88           HA       ALA  88  -3.098  19.838   3.481
  704   1HB   ALA  88          1HB       ALA  88  -1.654  19.225   5.453
  705   2HB   ALA  88          2HB       ALA  88  -3.042  18.341   6.090
  706   3HB   ALA  88          3HB       ALA  88  -3.146  20.084   5.835
  707    H    GLY  89           H        GLY  89  -3.981  16.558   3.448
  708   1HA   GLY  89          2HA       GLY  89  -3.037  14.703   2.490
  709   2HA   GLY  89          1HA       GLY  89  -2.081  15.829   1.537
  710    H    SER  90           H        SER  90  -1.954  15.648   5.037
  711    HA   SER  90           HA       SER  90   0.798  14.618   4.808
  712   1HB   SER  90          2HB       SER  90   0.102  17.034   5.812
  713   2HB   SER  90          1HB       SER  90   0.014  16.055   7.278
  714    HG   SER  90           HG       SER  90   2.133  17.070   6.560
  715    H    ASP  91           H        ASP  91  -1.346  12.841   4.895
  716    HA   ASP  91           HA       ASP  91  -0.701  11.394   7.321
  717   1HB   ASP  91          2HB       ASP  91  -2.861  12.956   7.544
  718   2HB   ASP  91          1HB       ASP  91  -3.620  11.568   6.771
  719    HA   PRO  92           HA       PRO  92  -1.325   8.959   3.314
  720   1HB   PRO  92          2HB       PRO  92   1.097   7.676   3.512
  721   2HB   PRO  92          1HB       PRO  92   0.832   9.160   2.592
  722   1HG   PRO  92          2HG       PRO  92   1.959   8.810   5.339
  723   2HG   PRO  92          1HG       PRO  92   2.489   9.894   4.039
  724   1HD   PRO  92          2HD       PRO  92   1.029  10.784   6.112
  725   2HD   PRO  92          1HD       PRO  92   0.817  11.437   4.474
  726    H    LEU  93           H        LEU  93   0.211   7.992   6.374
  727    HA   LEU  93           HA       LEU  93  -0.387   5.267   6.256
  728   1HB   LEU  93          2HB       LEU  93   0.206   7.190   8.454
  729   2HB   LEU  93          1HB       LEU  93  -0.398   5.601   8.880
  730    HG   LEU  93           HG       LEU  93   2.041   6.035   7.163
  731   1HD1  LEU  93          1HD1      LEU  93   2.913   6.846   9.084
  732   2HD1  LEU  93          2HD1      LEU  93   3.049   5.130   9.469
  733   3HD1  LEU  93          3HD1      LEU  93   1.695   6.070  10.096
  734   1HD2  LEU  93          1HD2      LEU  93   0.936   3.630   8.607
  735   2HD2  LEU  93          2HD2      LEU  93   2.504   3.692   7.803
  736   3HD2  LEU  93          3HD2      LEU  93   1.024   3.871   6.862
  737    H    GLY  94           H        GLY  94  -2.281   7.989   7.477
  738   1HA   GLY  94          2HA       GLY  94  -4.383   6.439   8.581
  739   2HA   GLY  94          1HA       GLY  94  -4.474   8.141   8.149
  740    H    LEU  95           H        LEU  95  -3.854   7.818   5.376
  741    HA   LEU  95           HA       LEU  95  -6.422   7.389   4.339
  742   1HB   LEU  95          2HB       LEU  95  -3.727   7.868   3.231
  743   2HB   LEU  95          1HB       LEU  95  -4.867   7.098   2.144
  744    HG   LEU  95           HG       LEU  95  -6.460   9.017   2.699
  745   1HD1  LEU  95          1HD1      LEU  95  -4.064  10.625   3.382
  746   2HD1  LEU  95          2HD1      LEU  95  -4.787   9.644   4.658
  747   3HD1  LEU  95          3HD1      LEU  95  -5.755  10.860   3.825
  748   1HD2  LEU  95          1HD2      LEU  95  -5.716   9.221   0.571
  749   2HD2  LEU  95          2HD2      LEU  95  -4.020   9.079   1.030
  750   3HD2  LEU  95          3HD2      LEU  95  -4.869  10.607   1.257
  751    H    ILE  96           H        ILE  96  -3.575   5.290   4.437
  752    HA   ILE  96           HA       ILE  96  -4.690   3.186   2.908
  753    HB   ILE  96           HB       ILE  96  -2.545   2.950   5.021
  754   1HG1  ILE  96          2HG1      ILE  96  -2.001   4.709   3.381
  755   2HG1  ILE  96          1HG1      ILE  96  -0.936   3.318   3.214
  756   1HG2  ILE  96          1HG2      ILE  96  -2.144   0.862   4.286
  757   2HG2  ILE  96          2HG2      ILE  96  -2.473   1.278   2.604
  758   3HG2  ILE  96          3HG2      ILE  96  -3.809   0.948   3.707
  759   1HD1  ILE  96          1HD1      ILE  96  -1.547   3.004   1.109
  760   2HD1  ILE  96          2HD1      ILE  96  -2.353   4.570   1.203
  761   3HD1  ILE  96          3HD1      ILE  96  -3.262   3.092   1.515
  762    H    ALA  97           H        ALA  97  -4.494   3.774   6.401
  763    HA   ALA  97           HA       ALA  97  -5.699   1.344   7.193
  764   1HB   ALA  97          1HB       ALA  97  -4.667   2.254   8.990
  765   2HB   ALA  97          2HB       ALA  97  -6.268   2.938   9.269
  766   3HB   ALA  97          3HB       ALA  97  -5.018   3.909   8.491
  767    H    TYR  98           H        TYR  98  -7.001   4.544   6.467
  768    HA   TYR  98           HA       TYR  98  -9.661   3.973   7.280
  769   1HB   TYR  98          2HB       TYR  98  -8.706   6.273   7.009
  770   2HB   TYR  98          1HB       TYR  98  -8.748   6.034   5.265
  771    HD1  TYR  98           1HD      TYR  98 -10.892   5.943   4.075
  772    HD2  TYR  98           2HD      TYR  98 -10.719   6.702   8.258
  773    HE1  TYR  98           1HE      TYR  98 -13.213   6.751   4.017
  774    HE2  TYR  98           2HE      TYR  98 -13.041   7.512   8.212
  775    HH   TYR  98           HH       TYR  98 -15.164   6.903   6.258
  776    H    LEU  99           H        LEU  99  -8.061   3.997   4.108
  777    HA   LEU  99           HA       LEU  99 -10.295   3.308   2.570
  778   1HB   LEU  99          2HB       LEU  99  -7.376   3.307   2.218
  779   2HB   LEU  99          1HB       LEU  99  -8.230   2.159   1.204
  780    HG   LEU  99           HG       LEU  99  -7.891   4.246   0.016
  781   1HD1  LEU  99          1HD1      LEU  99 -10.520   3.144   0.606
  782   2HD1  LEU  99          2HD1      LEU  99  -9.792   3.581  -0.939
  783   3HD1  LEU  99          3HD1      LEU  99 -10.581   4.815   0.043
  784   1HD2  LEU  99          1HD2      LEU  99  -8.513   5.404   2.536
  785   2HD2  LEU  99          2HD2      LEU  99  -9.687   5.988   1.357
  786   3HD2  LEU  99          3HD2      LEU  99  -7.961   6.200   1.062
  787    H    SER 100           H        SER 100  -8.063   1.343   4.425
  788    HA   SER 100           HA       SER 100  -8.764  -1.173   3.380
  789   1HB   SER 100          2HB       SER 100  -6.771  -0.671   4.842
  790   2HB   SER 100          1HB       SER 100  -7.876  -0.610   6.215
  791    HG   SER 100           HG       SER 100  -7.298  -2.817   4.537
  792    H    HIS 101           H        HIS 101 -10.168   0.805   5.928
  793    HA   HIS 101           HA       HIS 101 -11.987  -1.211   6.832
  794   1HB   HIS 101          2HB       HIS 101 -11.099   1.178   7.852
  795   2HB   HIS 101          1HB       HIS 101 -12.740   1.580   7.356
  796    HD1  HIS 101           1HD      HIS 101 -11.771  -1.789   8.733
  797    HD2  HIS 101           2HD      HIS 101 -13.816   1.636   9.898
  798    HE1  HIS 101           1HE      HIS 101 -12.891  -2.381  10.905
  799    HE2  HIS 101           2HE      HIS 101 -14.051  -0.266  11.635
  800    H    PHE 102           H        PHE 102 -12.165   1.523   4.609
  801    HA   PHE 102           HA       PHE 102 -14.957   1.382   4.154
  802   1HB   PHE 102          2HB       PHE 102 -12.758   2.965   3.239
  803   2HB   PHE 102          1HB       PHE 102 -13.665   2.408   1.838
  804    HD1  PHE 102           1HD      PHE 102 -14.692   3.472   5.263
  805    HD2  PHE 102           2HD      PHE 102 -15.009   4.097   1.066
  806    HE1  PHE 102           1HE      PHE 102 -16.367   5.228   5.656
  807    HE2  PHE 102           2HE      PHE 102 -16.685   5.856   1.451
  808    HZ   PHE 102           HZ       PHE 102 -17.367   6.424   3.748
  809    H    HIS 103           H        HIS 103 -12.163   0.002   2.473
  810    HA   HIS 103           HA       HIS 103 -13.545  -1.132   0.313
  811   1HB   HIS 103          2HB       HIS 103 -11.018  -0.866   0.632
  812   2HB   HIS 103          1HB       HIS 103 -11.094  -2.354   1.570
  813    HD1  HIS 103           1HD      HIS 103  -9.788  -1.692  -1.393
  814    HD2  HIS 103           2HD      HIS 103 -13.083  -4.042  -0.452
  815    HE1  HIS 103           1HE      HIS 103 -10.049  -3.284  -3.321
  816    HE2  HIS 103           2HE      HIS 103 -11.995  -4.755  -2.689
  817    H    SER 104           H        SER 104 -12.624  -2.535   3.447
  818    HA   SER 104           HA       SER 104 -13.642  -5.100   3.034
  819   1HB   SER 104          2HB       SER 104 -13.062  -3.445   5.458
  820   2HB   SER 104          1HB       SER 104 -13.949  -4.956   5.654
  821    HG   SER 104           HG       SER 104 -12.210  -6.066   5.127
  822    H    ALA 105           H        ALA 105 -15.218  -2.198   4.316
  823    HA   ALA 105           HA       ALA 105 -17.704  -3.474   4.859
  824   1HB   ALA 105          1HB       ALA 105 -17.183  -1.478   6.051
  825   2HB   ALA 105          2HB       ALA 105 -18.565  -1.125   5.013
  826   3HB   ALA 105          3HB       ALA 105 -16.954  -0.574   4.554
  827    H    PHE 106           H        PHE 106 -16.389  -1.710   2.110
  828    HA   PHE 106           HA       PHE 106 -18.793  -1.485   0.647
  829   1HB   PHE 106          2HB       PHE 106 -15.882  -1.319  -0.042
  830   2HB   PHE 106          1HB       PHE 106 -17.076  -1.362  -1.334
  831    HD1  PHE 106           1HD      PHE 106 -17.524   0.268   1.955
  832    HD2  PHE 106           2HD      PHE 106 -16.778   0.804  -2.201
  833    HE1  PHE 106           1HE      PHE 106 -17.880   2.687   2.207
  834    HE2  PHE 106           2HE      PHE 106 -17.134   3.226  -1.956
  835    HZ   PHE 106           HZ       PHE 106 -17.685   4.171   0.251
  836    H    LYS 107           H        LYS 107 -16.513  -4.076   1.068
  837    HA   LYS 107           HA       LYS 107 -17.045  -5.619  -1.190
  838   1HB   LYS 107          2HB       LYS 107 -15.993  -6.137   1.532
  839   2HB   LYS 107          1HB       LYS 107 -16.583  -7.536   0.646
  840   1HG   LYS 107          2HG       LYS 107 -14.875  -5.836  -0.974
  841   2HG   LYS 107          1HG       LYS 107 -14.066  -6.435   0.476
  842   1HD   LYS 107          2HD       LYS 107 -15.602  -8.224  -1.395
  843   2HD   LYS 107          1HD       LYS 107 -13.881  -7.887  -1.592
  844   1HE   LYS 107          2HE       LYS 107 -13.585  -9.669  -0.266
  845   2HE   LYS 107          1HE       LYS 107 -14.017  -8.570   1.043
  846   1HZ   LYS 107          1HZ       LYS 107 -16.122 -10.033  -0.407
  847   2HZ   LYS 107          2HZ       LYS 107 -16.143  -9.413   1.167
  848   3HZ   LYS 107          3HZ       LYS 107 -15.248 -10.805   0.819
  849    H    SER 108           H        SER 108 -18.559  -5.813   2.033
  850    HA   SER 108           HA       SER 108 -20.587  -7.625   1.053
  851   1HB   SER 108          2HB       SER 108 -19.704  -7.891   3.331
  852   2HB   SER 108          1HB       SER 108 -20.294  -6.284   3.752
  853    HG   SER 108           HG       SER 108 -22.003  -8.322   2.790
  854    H    MET 109           H        MET 109 -20.275  -4.224   1.798
  855    HA   MET 109           HA       MET 109 -23.110  -3.714   1.602
  856   1HB   MET 109          2HB       MET 109 -21.302  -2.420   2.979
  857   2HB   MET 109          1HB       MET 109 -21.020  -1.571   1.465
  858   1HG   MET 109          2HG       MET 109 -22.589  -0.178   2.236
  859   2HG   MET 109          1HG       MET 109 -23.705  -1.397   1.625
  860   1HE   MET 109          1HE       MET 109 -25.326  -2.961   4.508
  861   2HE   MET 109          2HE       MET 109 -24.904  -2.992   2.795
  862   3HE   MET 109          3HE       MET 109 -25.876  -1.670   3.442
  Start of MODEL   10
    1   1H    MET  -8          1HT       MET  -8  20.652   9.048   5.099
    2   2H    MET  -8          2HT       MET  -8  21.109  10.357   6.108
    3   3H    MET  -8          3HT       MET  -8  21.551   8.755   6.527
    4    HA   MET  -8           HA       MET  -8  22.565  10.451   4.365
    5   1HB   MET  -8          2HB       MET  -8  23.418   9.575   6.975
    6   2HB   MET  -8          1HB       MET  -8  24.555   9.012   5.759
    7   1HG   MET  -8          2HG       MET  -8  23.653  11.855   5.750
    8   2HG   MET  -8          1HG       MET  -8  24.889  11.322   6.887
    9   1HE   MET  -8          1HE       MET  -8  26.516  13.477   4.332
   10   2HE   MET  -8          2HE       MET  -8  24.854  13.488   4.923
   11   3HE   MET  -8          3HE       MET  -8  25.185  13.125   3.229
   12    H    GLY  -7           H        GLY  -7  22.215   7.125   5.518
   13   1HA   GLY  -7          2HA       GLY  -7  23.827   5.867   3.593
   14   2HA   GLY  -7          1HA       GLY  -7  22.496   5.109   4.456
   15    H    HIS  -6           H        HIS  -6  23.401   4.907   1.627
   16    HA   HIS  -6           HA       HIS  -6  21.475   6.209  -0.011
   17   1HB   HIS  -6          2HB       HIS  -6  23.678   5.369  -0.829
   18   2HB   HIS  -6          1HB       HIS  -6  23.085   3.724  -0.634
   19    HD1  HIS  -6           1HD      HIS  -6  22.131   6.872  -2.546
   20    HD2  HIS  -6           2HD      HIS  -6  21.906   2.734  -2.862
   21    HE1  HIS  -6           1HE      HIS  -6  21.165   6.424  -4.825
   22    HE2  HIS  -6           2HE      HIS  -6  21.121   3.913  -5.028
   23    H    HIS  -5           H        HIS  -5  19.536   5.517  -0.789
   24    HA   HIS  -5           HA       HIS  -5  18.117   3.569   0.717
   25   1HB   HIS  -5          2HB       HIS  -5  16.305   3.990  -1.000
   26   2HB   HIS  -5          1HB       HIS  -5  16.870   5.412  -0.128
   27    HD1  HIS  -5           1HD      HIS  -5  17.554   7.346  -1.528
   28    HD2  HIS  -5           2HD      HIS  -5  17.511   3.795  -3.685
   29    HE1  HIS  -5           1HE      HIS  -5  18.018   8.002  -3.910
   30    HE2  HIS  -5           2HE      HIS  -5  17.903   5.846  -5.211
   31    H    HIS  -4           H        HIS  -4  17.331   1.556   0.104
   32    HA   HIS  -4           HA       HIS  -4  18.978   0.158  -1.826
   33   1HB   HIS  -4          2HB       HIS  -4  17.075  -0.635   0.329
   34   2HB   HIS  -4          1HB       HIS  -4  17.371  -1.779  -0.976
   35    HD1  HIS  -4           1HD      HIS  -4  20.175  -2.016  -1.409
   36    HD2  HIS  -4           2HD      HIS  -4  18.765  -1.054   2.380
   37    HE1  HIS  -4           1HE      HIS  -4  22.035  -2.617   0.174
   38    HE2  HIS  -4           2HE      HIS  -4  21.127  -2.105   2.466
   39    H    HIS  -3           H        HIS  -3  18.302  -0.769  -3.714
   40    HA   HIS  -3           HA       HIS  -3  15.917   0.330  -4.899
   41   1HB   HIS  -3          2HB       HIS  -3  18.365  -0.930  -5.828
   42   2HB   HIS  -3          1HB       HIS  -3  16.954  -1.557  -6.672
   43    HD1  HIS  -3           1HD      HIS  -3  15.259   0.718  -7.306
   44    HD2  HIS  -3           2HD      HIS  -3  19.396   1.106  -7.254
   45    HE1  HIS  -3           1HE      HIS  -3  15.763   2.736  -8.721
   46    HE2  HIS  -3           2HE      HIS  -3  18.278   2.898  -8.747
   47    H    HIS  -2           H        HIS  -2  14.804  -1.450  -6.475
   48    HA   HIS  -2           HA       HIS  -2  13.288  -3.139  -6.587
   49   1HB   HIS  -2          2HB       HIS  -2  15.634  -4.270  -5.537
   50   2HB   HIS  -2          1HB       HIS  -2  14.329  -4.892  -4.532
   51    HD1  HIS  -2           1HD      HIS  -2  13.017  -6.795  -5.466
   52    HD2  HIS  -2           2HD      HIS  -2  15.227  -4.825  -8.382
   53    HE1  HIS  -2           1HE      HIS  -2  12.754  -8.173  -7.552
   54    HE2  HIS  -2           2HE      HIS  -2  14.027  -6.914  -9.326
   55    H    HIS  -1           H        HIS  -1  11.605  -1.909  -5.704
   56    HA   HIS  -1           HA       HIS  -1  11.077  -2.323  -2.841
   57   1HB   HIS  -1          2HB       HIS  -1   9.460  -0.419  -3.104
   58   2HB   HIS  -1          1HB       HIS  -1  11.145   0.011  -3.369
   59    HD1  HIS  -1           1HD      HIS  -1   9.692  -1.727  -6.239
   60    HD2  HIS  -1           2HD      HIS  -1   9.954   2.192  -4.884
   61    HE1  HIS  -1           1HE      HIS  -1   9.138  -0.290  -8.226
   62    HE2  HIS  -1           2HE      HIS  -1   9.219   2.074  -7.360
   63    H    MET   0           H        MET   0  10.343  -4.509  -3.379
   64    HA   MET   0           HA       MET   0   7.730  -4.603  -4.710
   65   1HB   MET   0          2HB       MET   0   8.104  -7.113  -4.574
   66   2HB   MET   0          1HB       MET   0   9.185  -6.220  -5.634
   67   1HG   MET   0          2HG       MET   0  11.005  -6.578  -4.316
   68   2HG   MET   0          1HG       MET   0  10.053  -6.673  -2.836
   69   1HE   MET   0          1HE       MET   0   8.160  -8.478  -2.692
   70   2HE   MET   0          2HE       MET   0   9.442  -9.209  -1.726
   71   3HE   MET   0          3HE       MET   0   8.557 -10.183  -2.899
   72    H    GLY   1           H        GLY   1   6.221  -4.038  -3.226
   73   1HA   GLY   1          2HA       GLY   1   5.018  -5.657  -1.506
   74   2HA   GLY   1          1HA       GLY   1   6.372  -5.124  -0.522
   75    H    SER   2           H        SER   2   6.588  -2.481  -1.181
   76    HA   SER   2           HA       SER   2   4.254  -1.397   0.153
   77   1HB   SER   2          2HB       SER   2   5.567   0.694   0.252
   78   2HB   SER   2          1HB       SER   2   6.478  -0.678   0.882
   79    HG   SER   2           HG       SER   2   7.671   0.696  -0.580
   80    H    ALA   3           H        ALA   3   6.071  -0.605  -2.815
   81    HA   ALA   3           HA       ALA   3   4.104   1.166  -3.822
   82   1HB   ALA   3          1HB       ALA   3   6.571  -0.095  -4.874
   83   2HB   ALA   3          2HB       ALA   3   6.100   1.603  -4.817
   84   3HB   ALA   3          3HB       ALA   3   5.418   0.540  -6.047
   85    H    GLY   4           H        GLY   4   4.570  -2.286  -4.059
   86   1HA   GLY   4          2HA       GLY   4   2.856  -2.730  -6.283
   87   2HA   GLY   4          1HA       GLY   4   3.364  -3.938  -5.111
   88    H    THR   5           H        THR   5   2.270  -2.269  -2.884
   89    HA   THR   5           HA       THR   5  -0.425  -3.315  -3.015
   90    HB   THR   5           HB       THR   5  -0.424  -2.160  -0.635
   91    HG1  THR   5           1HG      THR   5   1.419  -1.154  -0.414
   92   1HG2  THR   5          1HG2      THR   5  -0.577  -4.458  -0.577
   93   2HG2  THR   5          2HG2      THR   5   0.955  -4.155   0.243
   94   3HG2  THR   5          3HG2      THR   5   0.945  -4.684  -1.438
   95    H    GLN   6           H        GLN   6   1.179  -0.189  -2.962
   96    HA   GLN   6           HA       GLN   6  -1.098   1.418  -2.579
   97   1HB   GLN   6          2HB       GLN   6   1.499   2.036  -3.995
   98   2HB   GLN   6          1HB       GLN   6   0.293   3.237  -3.550
   99   1HG   GLN   6          2HG       GLN   6   0.669   2.085  -1.163
  100   2HG   GLN   6          1HG       GLN   6   2.255   1.803  -1.880
  101   1HE2  GLN   6          1HE2      GLN   6  -0.089   4.257  -1.001
  102   2HE2  GLN   6          2HE2      GLN   6   1.034   5.567  -0.906
  103    H    GLU   7           H        GLU   7   0.283  -0.060  -5.437
  104    HA   GLU   7           HA       GLU   7  -1.080   1.430  -7.388
  105   1HB   GLU   7          2HB       GLU   7  -0.030  -1.399  -7.424
  106   2HB   GLU   7          1HB       GLU   7  -0.687  -0.594  -8.841
  107   1HG   GLU   7          2HG       GLU   7   1.597   0.541  -7.260
  108   2HG   GLU   7          1HG       GLU   7   1.828  -0.598  -8.585
  109    H    GLU   8           H        GLU   8  -1.950  -1.629  -5.791
  110    HA   GLU   8           HA       GLU   8  -4.384  -1.965  -7.201
  111   1HB   GLU   8          2HB       GLU   8  -4.898  -3.688  -5.573
  112   2HB   GLU   8          1HB       GLU   8  -3.214  -3.817  -6.064
  113   1HG   GLU   8          2HG       GLU   8  -2.427  -3.063  -4.026
  114   2HG   GLU   8          1HG       GLU   8  -3.956  -2.295  -3.603
  115    H    LEU   9           H        LEU   9  -3.511  -0.245  -4.287
  116    HA   LEU   9           HA       LEU   9  -6.170   0.143  -3.341
  117   1HB   LEU   9          2HB       LEU   9  -4.045   0.302  -1.982
  118   2HB   LEU   9          1HB       LEU   9  -3.767   1.859  -2.741
  119    HG   LEU   9           HG       LEU   9  -5.780   2.761  -1.743
  120   1HD1  LEU   9          1HD1      LEU   9  -6.220  -0.079  -0.928
  121   2HD1  LEU   9          2HD1      LEU   9  -7.345   1.065  -1.660
  122   3HD1  LEU   9          3HD1      LEU   9  -6.892   1.236   0.036
  123   1HD2  LEU   9          1HD2      LEU   9  -5.163   2.344   0.721
  124   2HD2  LEU   9          2HD2      LEU   9  -3.956   3.079  -0.334
  125   3HD2  LEU   9          3HD2      LEU   9  -3.846   1.366   0.071
  126    H    LEU  10           H        LEU  10  -3.916   2.139  -5.218
  127    HA   LEU  10           HA       LEU  10  -5.556   4.417  -5.394
  128   1HB   LEU  10          2HB       LEU  10  -3.097   4.271  -5.914
  129   2HB   LEU  10          1HB       LEU  10  -3.531   3.513  -7.435
  130    HG   LEU  10           HG       LEU  10  -4.884   6.076  -6.933
  131   1HD1  LEU  10          1HD1      LEU  10  -2.963   6.966  -6.064
  132   2HD1  LEU  10          2HD1      LEU  10  -2.666   7.194  -7.787
  133   3HD1  LEU  10          3HD1      LEU  10  -1.916   5.846  -6.935
  134   1HD2  LEU  10          1HD2      LEU  10  -4.036   6.417  -9.301
  135   2HD2  LEU  10          2HD2      LEU  10  -5.169   5.088  -9.052
  136   3HD2  LEU  10          3HD2      LEU  10  -3.444   4.758  -9.219
  137    H    ARG  11           H        ARG  11  -5.156   1.652  -7.587
  138    HA   ARG  11           HA       ARG  11  -6.876   2.552  -9.607
  139   1HB   ARG  11          2HB       ARG  11  -6.948   0.243 -10.363
  140   2HB   ARG  11          1HB       ARG  11  -5.311   0.671  -9.885
  141   1HG   ARG  11          2HG       ARG  11  -5.556  -0.512  -7.806
  142   2HG   ARG  11          1HG       ARG  11  -7.253  -0.845  -8.156
  143   1HD   ARG  11          2HD       ARG  11  -6.440  -2.042 -10.238
  144   2HD   ARG  11          1HD       ARG  11  -4.818  -1.923  -9.557
  145    HE   ARG  11           HE       ARG  11  -6.215  -3.056  -7.553
  146   1HH1  ARG  11          1HH1      ARG  11  -5.921  -3.822 -10.945
  147   2HH1  ARG  11          2HH1      ARG  11  -6.171  -5.518 -10.713
  148   1HH2  ARG  11          1HH2      ARG  11  -6.543  -5.288  -7.245
  149   2HH2  ARG  11          2HH2      ARG  11  -6.524  -6.351  -8.611
  150    H    TRP  12           H        TRP  12  -7.517   0.699  -6.666
  151    HA   TRP  12           HA       TRP  12 -10.198   0.058  -7.205
  152   1HB   TRP  12          2HB       TRP  12  -8.764  -0.914  -5.374
  153   2HB   TRP  12          1HB       TRP  12  -9.016   0.577  -4.471
  154    HD1  TRP  12           HD       TRP  12 -10.966  -2.474  -5.782
  155    HE1  TRP  12           1HE      TRP  12 -13.107  -2.730  -4.377
  156    HE3  TRP  12           3HE      TRP  12 -10.618   1.793  -2.987
  157    HZ2  TRP  12           2HZ      TRP  12 -14.468  -1.310  -2.351
  158    HZ3  TRP  12           3HZ      TRP  12 -12.381   2.269  -1.337
  159    HH2  TRP  12           HH       TRP  12 -14.265   0.748  -1.028
  160    H    CYS  13           H        CYS  13  -8.724   2.890  -5.692
  161    HA   CYS  13           HA       CYS  13 -11.168   4.110  -4.917
  162   1HB   CYS  13          2HB       CYS  13  -8.332   5.028  -5.187
  163   2HB   CYS  13          1HB       CYS  13  -9.605   6.227  -4.978
  164    HG   CYS  13           HG       CYS  13  -9.755   5.653  -2.598
  165    H    GLN  14           H        GLN  14  -9.038   4.523  -7.726
  166    HA   GLN  14           HA       GLN  14 -10.509   6.591  -8.946
  167   1HB   GLN  14          2HB       GLN  14  -8.200   6.043  -9.572
  168   2HB   GLN  14          1HB       GLN  14  -8.735   4.500 -10.223
  169   1HG   GLN  14          2HG       GLN  14 -10.263   6.587 -11.420
  170   2HG   GLN  14          1HG       GLN  14  -8.550   6.987 -11.535
  171   1HE2  GLN  14          1HE2      GLN  14  -7.397   4.547 -11.816
  172   2HE2  GLN  14          2HE2      GLN  14  -7.911   3.809 -13.291
  173    H    GLU  15           H        GLU  15 -10.775   3.085  -9.107
  174    HA   GLU  15           HA       GLU  15 -12.604   2.979 -11.264
  175   1HB   GLU  15          2HB       GLU  15 -11.223   1.069 -10.278
  176   2HB   GLU  15          1HB       GLU  15 -12.449   0.971  -9.021
  177   1HG   GLU  15          2HG       GLU  15 -13.939  -0.022 -10.368
  178   2HG   GLU  15          1HG       GLU  15 -13.491   0.962 -11.763
  179    H    GLN  16           H        GLN  16 -13.051   3.012  -7.747
  180    HA   GLN  16           HA       GLN  16 -15.887   2.865  -7.848
  181   1HB   GLN  16          2HB       GLN  16 -14.054   3.844  -5.651
  182   2HB   GLN  16          1HB       GLN  16 -15.775   3.538  -5.462
  183   1HG   GLN  16          2HG       GLN  16 -13.780   1.447  -6.296
  184   2HG   GLN  16          1HG       GLN  16 -14.289   1.723  -4.631
  185   1HE2  GLN  16          1HE2      GLN  16 -14.908  -0.570  -4.855
  186   2HE2  GLN  16          2HE2      GLN  16 -16.478  -0.933  -5.478
  187    H    THR  17           H        THR  17 -13.578   5.479  -7.961
  188    HA   THR  17           HA       THR  17 -15.671   7.486  -7.676
  189    HB   THR  17           HB       THR  17 -12.732   7.946  -8.186
  190    HG1  THR  17           1HG      THR  17 -12.361   7.600  -6.147
  191   1HG2  THR  17          1HG2      THR  17 -15.006   9.686  -7.559
  192   2HG2  THR  17          2HG2      THR  17 -13.471  10.049  -8.348
  193   3HG2  THR  17          3HG2      THR  17 -13.559   9.956  -6.589
  194    H    ALA  18           H        ALA  18 -14.864   5.590 -10.126
  195    HA   ALA  18           HA       ALA  18 -14.433   7.503 -12.225
  196   1HB   ALA  18          1HB       ALA  18 -13.506   5.487 -12.798
  197   2HB   ALA  18          2HB       ALA  18 -15.057   5.372 -13.629
  198   3HB   ALA  18          3HB       ALA  18 -14.822   4.554 -12.085
  199    H    GLY  19           H        GLY  19 -15.926   8.648 -13.268
  200   1HA   GLY  19          2HA       GLY  19 -18.155   8.243 -14.486
  201   2HA   GLY  19          1HA       GLY  19 -18.753   7.926 -12.866
  202    H    TYR  20           H        TYR  20 -17.272   9.953 -11.525
  203    HA   TYR  20           HA       TYR  20 -19.011  12.150 -11.920
  204   1HB   TYR  20          2HB       TYR  20 -16.418  12.053 -10.365
  205   2HB   TYR  20          1HB       TYR  20 -17.673  13.275 -10.208
  206    HD1  TYR  20           1HD      TYR  20 -19.591  12.896  -8.853
  207    HD2  TYR  20           2HD      TYR  20 -16.878   9.713  -9.624
  208    HE1  TYR  20           1HE      TYR  20 -20.694  11.545  -7.121
  209    HE2  TYR  20           2HE      TYR  20 -17.975   8.352  -7.896
  210    HH   TYR  20           HH       TYR  20 -20.360   8.302  -6.830
  211    HA   PRO  21           HA       PRO  21 -16.718  14.096 -15.225
  212   1HB   PRO  21          2HB       PRO  21 -18.161  16.379 -15.377
  213   2HB   PRO  21          1HB       PRO  21 -18.759  14.834 -15.994
  214   1HG   PRO  21          2HG       PRO  21 -19.373  16.205 -13.405
  215   2HG   PRO  21          1HG       PRO  21 -20.476  15.380 -14.523
  216   1HD   PRO  21          2HD       PRO  21 -19.539  14.221 -12.253
  217   2HD   PRO  21          1HD       PRO  21 -19.931  13.294 -13.716
  218    H    GLY  22           H        GLY  22 -14.722  14.743 -14.623
  219   1HA   GLY  22          2HA       GLY  22 -13.378  16.740 -14.287
  220   2HA   GLY  22          1HA       GLY  22 -14.540  17.245 -13.068
  221    H    VAL  23           H        VAL  23 -14.643  14.417 -12.043
  222    HA   VAL  23           HA       VAL  23 -12.512  14.714 -10.135
  223    HB   VAL  23           HB       VAL  23 -14.395  12.373 -10.392
  224   1HG1  VAL  23          1HG1      VAL  23 -12.638  13.444  -8.210
  225   2HG1  VAL  23          2HG1      VAL  23 -12.701  11.815  -8.882
  226   3HG1  VAL  23          3HG1      VAL  23 -14.013  12.398  -7.858
  227   1HG2  VAL  23          1HG2      VAL  23 -15.842  14.223 -10.276
  228   2HG2  VAL  23          2HG2      VAL  23 -14.811  15.061  -9.116
  229   3HG2  VAL  23          3HG2      VAL  23 -15.718  13.633  -8.618
  230    H    HIS  24           H        HIS  24 -10.539  13.943 -10.362
  231    HA   HIS  24           HA       HIS  24 -10.132  11.509 -11.966
  232   1HB   HIS  24          2HB       HIS  24  -9.385  13.783 -13.005
  233   2HB   HIS  24          1HB       HIS  24  -8.053  13.672 -11.856
  234    HD1  HIS  24           1HD      HIS  24  -8.184  10.362 -12.376
  235    HD2  HIS  24           2HD      HIS  24  -7.369  13.454 -15.030
  236    HE1  HIS  24           1HE      HIS  24  -6.877   9.313 -14.250
  237    HE2  HIS  24           2HE      HIS  24  -6.477  11.182 -15.889
  238    H    VAL  25           H        VAL  25 -10.166  10.329  -9.989
  239    HA   VAL  25           HA       VAL  25  -8.287  10.912  -7.901
  240    HB   VAL  25           HB       VAL  25  -9.809   8.342  -8.326
  241   1HG1  VAL  25          1HG1      VAL  25  -7.820   8.803  -6.576
  242   2HG1  VAL  25          2HG1      VAL  25  -9.174   7.720  -6.250
  243   3HG1  VAL  25          3HG1      VAL  25  -9.197   9.372  -5.631
  244   1HG2  VAL  25          1HG2      VAL  25 -11.345  10.248  -8.334
  245   2HG2  VAL  25          2HG2      VAL  25 -10.662  10.804  -6.806
  246   3HG2  VAL  25          3HG2      VAL  25 -11.534   9.272  -6.877
  247    H    SER  26           H        SER  26  -6.184  10.744  -8.415
  248    HA   SER  26           HA       SER  26  -5.166   8.117  -9.098
  249   1HB   SER  26          2HB       SER  26  -4.325  10.483 -10.776
  250   2HB   SER  26          1HB       SER  26  -3.926   8.785 -11.028
  251    HG   SER  26           HG       SER  26  -5.732   8.551 -12.063
  252    H    ASP  27           H        ASP  27  -5.104  10.150  -6.880
  253    HA   ASP  27           HA       ASP  27  -2.203  10.088  -6.487
  254   1HB   ASP  27          2HB       ASP  27  -3.885  12.506  -5.804
  255   2HB   ASP  27          1HB       ASP  27  -2.138  12.350  -5.660
  256    H    LEU  28           H        LEU  28  -1.541   9.900  -4.330
  257    HA   LEU  28           HA       LEU  28  -3.646   8.946  -2.539
  258   1HB   LEU  28          2HB       LEU  28  -0.715   8.482  -2.784
  259   2HB   LEU  28          1HB       LEU  28  -1.442   8.321  -1.195
  260    HG   LEU  28           HG       LEU  28  -2.802   6.876  -3.389
  261   1HD1  LEU  28          1HD1      LEU  28  -0.788   6.136  -4.156
  262   2HD1  LEU  28          2HD1      LEU  28  -1.041   4.984  -2.842
  263   3HD1  LEU  28          3HD1      LEU  28   0.017   6.375  -2.606
  264   1HD2  LEU  28          1HD2      LEU  28  -1.980   5.574  -0.876
  265   2HD2  LEU  28          2HD2      LEU  28  -3.533   5.560  -1.711
  266   3HD2  LEU  28          3HD2      LEU  28  -3.082   6.942  -0.713
  267    H    SER  29           H        SER  29  -3.459  11.746  -2.924
  268    HA   SER  29           HA       SER  29  -3.453  12.632  -0.255
  269   1HB   SER  29          2HB       SER  29  -1.062  12.533  -0.316
  270   2HB   SER  29          1HB       SER  29  -1.008  13.343  -1.881
  271    HG   SER  29           HG       SER  29  -1.046  14.422   0.574
  272    H    SER  30           H        SER  30  -2.220  14.399  -3.076
  273    HA   SER  30           HA       SER  30  -3.832  16.625  -2.771
  274   1HB   SER  30          2HB       SER  30  -2.684  15.508  -5.339
  275   2HB   SER  30          1HB       SER  30  -3.278  17.155  -5.117
  276    HG   SER  30           HG       SER  30  -1.662  17.242  -3.351
  277    H    SER  31           H        SER  31  -4.579  13.564  -4.257
  278    HA   SER  31           HA       SER  31  -6.830  14.390  -5.755
  279   1HB   SER  31          2HB       SER  31  -5.573  11.866  -4.995
  280   2HB   SER  31          1HB       SER  31  -7.330  11.750  -5.073
  281    HG   SER  31           HG       SER  31  -7.248  12.505  -7.190
  282    H    TRP  32           H        TRP  32  -6.366  13.675  -2.386
  283    HA   TRP  32           HA       TRP  32  -9.247  13.601  -1.903
  284   1HB   TRP  32          2HB       TRP  32  -6.989  13.253   0.075
  285   2HB   TRP  32          1HB       TRP  32  -8.692  12.900   0.348
  286    HD1  TRP  32           HD       TRP  32  -5.773  11.644  -1.871
  287    HE1  TRP  32           1HE      TRP  32  -6.140   9.135  -2.318
  288    HE3  TRP  32           3HE      TRP  32 -10.299  11.063   0.434
  289    HZ2  TRP  32           2HZ      TRP  32  -8.092   7.171  -1.766
  290    HZ3  TRP  32           3HZ      TRP  32 -11.349   8.838   0.429
  291    HH2  TRP  32           HH       TRP  32 -10.267   6.933  -0.649
  292    H    ALA  33           H        ALA  33  -7.369  16.035  -2.530
  293    HA   ALA  33           HA       ALA  33  -7.322  17.730  -0.315
  294   1HB   ALA  33          1HB       ALA  33  -6.275  17.995  -2.678
  295   2HB   ALA  33          2HB       ALA  33  -6.753  19.429  -1.770
  296   3HB   ALA  33          3HB       ALA  33  -7.789  18.817  -3.060
  297    H    ASP  34           H        ASP  34  -9.735  17.629  -2.945
  298    HA   ASP  34           HA       ASP  34 -11.539  19.283  -1.383
  299   1HB   ASP  34          2HB       ASP  34 -13.025  19.034  -3.426
  300   2HB   ASP  34          1HB       ASP  34 -11.482  19.837  -3.692
  301    H    GLY  35           H        GLY  35 -10.796  16.175  -1.107
  302   1HA   GLY  35          2HA       GLY  35 -11.864  14.361  -0.201
  303   2HA   GLY  35          1HA       GLY  35 -13.154  15.464   0.251
  304    H    LEU  36           H        LEU  36 -12.111  14.877  -3.052
  305    HA   LEU  36           HA       LEU  36 -14.786  14.245  -3.847
  306   1HB   LEU  36          2HB       LEU  36 -12.232  14.803  -5.147
  307   2HB   LEU  36          1HB       LEU  36 -13.165  13.573  -5.979
  308    HG   LEU  36           HG       LEU  36 -13.545  15.874  -6.837
  309   1HD1  LEU  36          1HD1      LEU  36 -16.159  15.119  -5.697
  310   2HD1  LEU  36          2HD1      LEU  36 -15.301  13.862  -6.589
  311   3HD1  LEU  36          3HD1      LEU  36 -15.683  15.396  -7.372
  312   1HD2  LEU  36          1HD2      LEU  36 -13.685  16.531  -4.134
  313   2HD2  LEU  36          2HD2      LEU  36 -15.337  16.699  -4.727
  314   3HD2  LEU  36          3HD2      LEU  36 -14.027  17.588  -5.504
  315    H    ALA  37           H        ALA  37 -11.793  12.395  -3.460
  316    HA   ALA  37           HA       ALA  37 -12.724   9.967  -4.521
  317   1HB   ALA  37          1HB       ALA  37 -10.363  10.388  -4.157
  318   2HB   ALA  37          2HB       ALA  37 -10.862   8.934  -3.293
  319   3HB   ALA  37          3HB       ALA  37 -10.619  10.443  -2.413
  320    H    LEU  38           H        LEU  38 -12.663  11.158  -1.170
  321    HA   LEU  38           HA       LEU  38 -13.857   8.841  -0.052
  322   1HB   LEU  38          2HB       LEU  38 -12.518  10.635   1.153
  323   2HB   LEU  38          1HB       LEU  38 -13.968  11.621   1.103
  324    HG   LEU  38           HG       LEU  38 -15.149   9.758   2.340
  325   1HD1  LEU  38          1HD1      LEU  38 -13.154   8.171   1.705
  326   2HD1  LEU  38          2HD1      LEU  38 -14.025   7.975   3.227
  327   3HD1  LEU  38          3HD1      LEU  38 -12.467   8.800   3.202
  328   1HD2  LEU  38          1HD2      LEU  38 -12.835  10.870   3.895
  329   2HD2  LEU  38          2HD2      LEU  38 -14.486  10.568   4.436
  330   3HD2  LEU  38          3HD2      LEU  38 -14.151  11.895   3.324
  331    H    CYS  39           H        CYS  39 -15.139  11.945  -1.149
  332    HA   CYS  39           HA       CYS  39 -17.797  11.544  -0.311
  333   1HB   CYS  39          2HB       CYS  39 -16.428  13.348  -2.248
  334   2HB   CYS  39          1HB       CYS  39 -18.177  13.203  -2.353
  335    HG   CYS  39           HG       CYS  39 -18.366  14.715  -0.447
  336    H    ALA  40           H        ALA  40 -16.203  10.956  -3.428
  337    HA   ALA  40           HA       ALA  40 -18.406  10.084  -4.880
  338   1HB   ALA  40          1HB       ALA  40 -16.544  10.419  -6.186
  339   2HB   ALA  40          2HB       ALA  40 -16.577   8.658  -6.093
  340   3HB   ALA  40          3HB       ALA  40 -15.473   9.574  -5.068
  341    H    LEU  41           H        LEU  41 -16.235   8.259  -2.758
  342    HA   LEU  41           HA       LEU  41 -17.247   5.700  -3.285
  343   1HB   LEU  41          2HB       LEU  41 -16.007   6.811  -0.768
  344   2HB   LEU  41          1HB       LEU  41 -16.304   5.107  -1.055
  345    HG   LEU  41           HG       LEU  41 -14.645   6.622  -3.020
  346   1HD1  LEU  41          1HD1      LEU  41 -13.986   6.879  -0.429
  347   2HD1  LEU  41          2HD1      LEU  41 -12.802   6.776  -1.732
  348   3HD1  LEU  41          3HD1      LEU  41 -13.205   5.340  -0.790
  349   1HD2  LEU  41          1HD2      LEU  41 -15.072   4.425  -3.686
  350   2HD2  LEU  41          2HD2      LEU  41 -14.881   3.794  -2.052
  351   3HD2  LEU  41          3HD2      LEU  41 -13.470   4.344  -2.955
  352    H    VAL  42           H        VAL  42 -18.067   7.960  -0.655
  353    HA   VAL  42           HA       VAL  42 -20.069   6.389   0.517
  354    HB   VAL  42           HB       VAL  42 -20.031   9.406   0.487
  355   1HG1  VAL  42          1HG1      VAL  42 -22.039   8.543   1.445
  356   2HG1  VAL  42          2HG1      VAL  42 -21.007   9.083   2.768
  357   3HG1  VAL  42          3HG1      VAL  42 -21.144   7.364   2.401
  358   1HG2  VAL  42          1HG2      VAL  42 -18.809   8.603   2.825
  359   2HG2  VAL  42          2HG2      VAL  42 -18.002   9.270   1.408
  360   3HG2  VAL  42          3HG2      VAL  42 -18.120   7.523   1.614
  361    H    TYR  43           H        TYR  43 -20.289   8.944  -1.941
  362    HA   TYR  43           HA       TYR  43 -23.051   9.073  -2.196
  363   1HB   TYR  43          2HB       TYR  43 -21.350  10.583  -3.287
  364   2HB   TYR  43          1HB       TYR  43 -21.091   9.319  -4.485
  365    HD1  TYR  43           1HD      TYR  43 -23.973  11.142  -2.942
  366    HD2  TYR  43           2HD      TYR  43 -22.214   9.560  -6.477
  367    HE1  TYR  43           1HE      TYR  43 -25.853  12.021  -4.263
  368    HE2  TYR  43           2HE      TYR  43 -24.087  10.434  -7.808
  369    HH   TYR  43           HH       TYR  43 -25.799  12.374  -7.526
  370    H    ARG  44           H        ARG  44 -20.759   6.809  -3.630
  371    HA   ARG  44           HA       ARG  44 -22.587   5.559  -5.393
  372   1HB   ARG  44          2HB       ARG  44 -19.987   5.451  -5.305
  373   2HB   ARG  44          1HB       ARG  44 -20.249   4.120  -4.185
  374   1HG   ARG  44          2HG       ARG  44 -20.039   3.035  -6.206
  375   2HG   ARG  44          1HG       ARG  44 -21.790   3.182  -6.042
  376   1HD   ARG  44          2HD       ARG  44 -21.609   5.308  -7.395
  377   2HD   ARG  44          1HD       ARG  44 -19.939   4.851  -7.731
  378    HE   ARG  44           HE       ARG  44 -21.356   2.655  -8.452
  379   1HH1  ARG  44          1HH1      ARG  44 -21.575   6.037  -9.281
  380   2HH1  ARG  44          2HH1      ARG  44 -22.202   5.736 -10.868
  381   1HH2  ARG  44          1HH2      ARG  44 -22.180   2.257 -10.538
  382   2HH2  ARG  44          2HH2      ARG  44 -22.545   3.591 -11.582
  383    H    LEU  45           H        LEU  45 -21.575   4.851  -2.077
  384    HA   LEU  45           HA       LEU  45 -23.193   2.484  -1.896
  385   1HB   LEU  45          2HB       LEU  45 -21.410   4.015  -0.084
  386   2HB   LEU  45          1HB       LEU  45 -22.636   3.011   0.666
  387    HG   LEU  45           HG       LEU  45 -20.386   1.931   0.398
  388   1HD1  LEU  45          1HD1      LEU  45 -21.527  -0.122  -0.876
  389   2HD1  LEU  45          2HD1      LEU  45 -22.968   0.829  -0.523
  390   3HD1  LEU  45          3HD1      LEU  45 -21.912   0.308   0.790
  391   1HD2  LEU  45          1HD2      LEU  45 -19.602   1.247  -1.713
  392   2HD2  LEU  45          2HD2      LEU  45 -20.034   2.946  -1.902
  393   3HD2  LEU  45          3HD2      LEU  45 -21.113   1.690  -2.508
  394    H    GLN  46           H        GLN  46 -23.556   5.868  -1.101
  395    HA   GLN  46           HA       GLN  46 -26.382   5.398  -0.540
  396   1HB   GLN  46          2HB       GLN  46 -26.237   6.962   1.437
  397   2HB   GLN  46          1HB       GLN  46 -25.515   5.376   1.675
  398   1HG   GLN  46          2HG       GLN  46 -23.337   6.224   1.538
  399   2HG   GLN  46          1HG       GLN  46 -23.884   7.748   0.839
  400   1HE2  GLN  46          1HE2      GLN  46 -25.740   8.692   2.404
  401   2HE2  GLN  46          2HE2      GLN  46 -25.200   8.889   4.034
  402    HA   PRO  47           HA       PRO  47 -25.474   9.137  -3.195
  403   1HB   PRO  47          2HB       PRO  47 -27.108   8.445  -5.244
  404   2HB   PRO  47          1HB       PRO  47 -25.429   7.904  -5.139
  405   1HG   PRO  47          2HG       PRO  47 -27.938   6.439  -4.419
  406   2HG   PRO  47          1HG       PRO  47 -26.507   5.850  -5.285
  407   1HD   PRO  47          2HD       PRO  47 -26.941   5.347  -2.654
  408   2HD   PRO  47          1HD       PRO  47 -25.314   5.518  -3.342
  409    H    GLY  48           H        GLY  48 -28.392   7.460  -2.217
  410   1HA   GLY  48          2HA       GLY  48 -30.129   9.702  -2.717
  411   2HA   GLY  48          1HA       GLY  48 -30.556   8.214  -1.888
  412    H    LEU  49           H        LEU  49 -27.855   9.132  -0.343
  413    HA   LEU  49           HA       LEU  49 -29.266  10.952   1.489
  414   1HB   LEU  49          2HB       LEU  49 -28.172   8.295   2.015
  415   2HB   LEU  49          1HB       LEU  49 -27.575   9.511   3.126
  416    HG   LEU  49           HG       LEU  49 -30.500   8.985   2.604
  417   1HD1  LEU  49          1HD1      LEU  49 -30.593   7.661   4.503
  418   2HD1  LEU  49          2HD1      LEU  49 -29.043   8.244   5.108
  419   3HD1  LEU  49          3HD1      LEU  49 -29.092   7.140   3.736
  420   1HD2  LEU  49          1HD2      LEU  49 -29.794  11.280   3.383
  421   2HD2  LEU  49          2HD2      LEU  49 -29.225  10.508   4.862
  422   3HD2  LEU  49          3HD2      LEU  49 -30.931  10.430   4.429
  423    H    LEU  50           H        LEU  50 -27.221  11.378  -0.635
  424    HA   LEU  50           HA       LEU  50 -25.393  12.945   1.001
  425   1HB   LEU  50          2HB       LEU  50 -24.624  10.492  -0.231
  426   2HB   LEU  50          1HB       LEU  50 -23.815  11.799  -1.072
  427    HG   LEU  50           HG       LEU  50 -23.290  12.547   1.448
  428   1HD1  LEU  50          1HD1      LEU  50 -24.237  10.878   2.719
  429   2HD1  LEU  50          2HD1      LEU  50 -22.585  10.290   2.540
  430   3HD1  LEU  50          3HD1      LEU  50 -23.871   9.622   1.537
  431   1HD2  LEU  50          1HD2      LEU  50 -21.858  10.692  -0.409
  432   2HD2  LEU  50          2HD2      LEU  50 -21.161  11.092   1.159
  433   3HD2  LEU  50          3HD2      LEU  50 -21.501  12.370  -0.007
  434    H    GLU  51           H        GLU  51 -24.319  14.624  -0.156
  435    HA   GLU  51           HA       GLU  51 -25.224  15.123  -2.893
  436   1HB   GLU  51          2HB       GLU  51 -25.563  17.082  -0.614
  437   2HB   GLU  51          1HB       GLU  51 -25.809  17.466  -2.312
  438   1HG   GLU  51          2HG       GLU  51 -27.351  15.161  -1.642
  439   2HG   GLU  51          1HG       GLU  51 -27.666  16.435  -0.466
  440    HA   PRO  52           HA       PRO  52 -20.717  16.220  -1.624
  441   1HB   PRO  52          2HB       PRO  52 -19.586  14.451  -3.419
  442   2HB   PRO  52          1HB       PRO  52 -19.814  14.136  -1.697
  443   1HG   PRO  52          2HG       PRO  52 -21.489  13.284  -4.019
  444   2HG   PRO  52          1HG       PRO  52 -21.040  12.375  -2.564
  445   1HD   PRO  52          2HD       PRO  52 -23.471  13.472  -2.833
  446   2HD   PRO  52          1HD       PRO  52 -22.646  13.423  -1.261
  447    H    SER  53           H        SER  53 -22.649  15.932  -4.476
  448    HA   SER  53           HA       SER  53 -20.934  16.950  -6.417
  449   1HB   SER  53          2HB       SER  53 -23.880  16.813  -6.063
  450   2HB   SER  53          1HB       SER  53 -23.279  17.966  -7.253
  451    HG   SER  53           HG       SER  53 -22.557  15.222  -7.171
  452    H    GLU  54           H        GLU  54 -23.035  18.631  -4.126
  453    HA   GLU  54           HA       GLU  54 -22.377  21.243  -5.062
  454   1HB   GLU  54          2HB       GLU  54 -23.906  20.088  -2.801
  455   2HB   GLU  54          1HB       GLU  54 -23.270  21.709  -2.560
  456   1HG   GLU  54          2HG       GLU  54 -24.482  22.559  -4.403
  457   2HG   GLU  54          1HG       GLU  54 -24.904  20.940  -4.959
  458    H    LEU  55           H        LEU  55 -21.388  19.355  -2.219
  459    HA   LEU  55           HA       LEU  55 -19.533  21.291  -1.277
  460   1HB   LEU  55          2HB       LEU  55 -19.625  18.337  -0.672
  461   2HB   LEU  55          1HB       LEU  55 -18.801  19.567   0.266
  462    HG   LEU  55           HG       LEU  55 -21.367  20.516   0.259
  463   1HD1  LEU  55          1HD1      LEU  55 -21.894  17.717   0.968
  464   2HD1  LEU  55          2HD1      LEU  55 -21.728  18.034  -0.758
  465   3HD1  LEU  55          3HD1      LEU  55 -22.932  18.909   0.187
  466   1HD2  LEU  55          1HD2      LEU  55 -19.990  20.456   2.208
  467   2HD2  LEU  55          2HD2      LEU  55 -19.980  18.692   2.215
  468   3HD2  LEU  55          3HD2      LEU  55 -21.470  19.568   2.569
  469    H    GLN  56           H        GLN  56 -19.379  19.188  -3.898
  470    HA   GLN  56           HA       GLN  56 -16.726  18.313  -3.847
  471   1HB   GLN  56          2HB       GLN  56 -18.286  17.384  -5.428
  472   2HB   GLN  56          1HB       GLN  56 -18.552  18.958  -6.164
  473   1HG   GLN  56          2HG       GLN  56 -15.760  18.251  -6.223
  474   2HG   GLN  56          1HG       GLN  56 -16.751  16.997  -6.966
  475   1HE2  GLN  56          1HE2      GLN  56 -18.622  18.107  -8.323
  476   2HE2  GLN  56          2HE2      GLN  56 -18.050  19.268  -9.468
  477    H    GLY  57           H        GLY  57 -18.124  21.388  -4.792
  478   1HA   GLY  57          2HA       GLY  57 -15.376  22.408  -5.149
  479   2HA   GLY  57          1HA       GLY  57 -16.670  22.871  -6.245
  480    H    LEU  58           H        LEU  58 -17.955  22.556  -3.187
  481    HA   LEU  58           HA       LEU  58 -18.089  25.435  -2.882
  482   1HB   LEU  58          2HB       LEU  58 -19.661  23.149  -2.044
  483   2HB   LEU  58          1HB       LEU  58 -19.374  24.246  -0.707
  484    HG   LEU  58           HG       LEU  58 -20.112  25.909  -2.813
  485   1HD1  LEU  58          1HD1      LEU  58 -20.888  24.031  -4.116
  486   2HD1  LEU  58          2HD1      LEU  58 -22.268  24.969  -3.545
  487   3HD1  LEU  58          3HD1      LEU  58 -21.850  23.447  -2.758
  488   1HD2  LEU  58          1HD2      LEU  58 -22.383  25.731  -1.401
  489   2HD2  LEU  58          2HD2      LEU  58 -20.956  26.593  -0.830
  490   3HD2  LEU  58          3HD2      LEU  58 -21.275  24.951  -0.273
  491    H    GLY  59           H        GLY  59 -16.468  22.719  -1.445
  492   1HA   GLY  59          2HA       GLY  59 -14.562  24.281  -0.124
  493   2HA   GLY  59          1HA       GLY  59 -15.807  23.876   1.046
  494    H    ALA  60           H        ALA  60 -12.864  23.005   0.112
  495    HA   ALA  60           HA       ALA  60 -12.943  20.230  -0.257
  496   1HB   ALA  60          1HB       ALA  60 -10.565  20.469   0.885
  497   2HB   ALA  60          2HB       ALA  60 -10.878  22.182   0.605
  498   3HB   ALA  60          3HB       ALA  60 -10.874  21.053  -0.750
  499    H    LEU  61           H        LEU  61 -12.179  22.016   2.738
  500    HA   LEU  61           HA       LEU  61 -12.227  19.768   4.419
  501   1HB   LEU  61          2HB       LEU  61 -11.274  22.097   4.872
  502   2HB   LEU  61          1HB       LEU  61 -12.912  22.565   5.291
  503    HG   LEU  61           HG       LEU  61 -11.795  20.178   6.662
  504   1HD1  LEU  61          1HD1      LEU  61 -10.669  21.576   8.326
  505   2HD1  LEU  61          2HD1      LEU  61 -10.971  23.000   7.330
  506   3HD1  LEU  61          3HD1      LEU  61  -9.916  21.717   6.738
  507   1HD2  LEU  61          1HD2      LEU  61 -13.100  21.040   8.509
  508   2HD2  LEU  61          2HD2      LEU  61 -14.090  20.977   7.050
  509   3HD2  LEU  61          3HD2      LEU  61 -13.443  22.519   7.610
  510    H    GLU  62           H        GLU  62 -14.750  22.015   3.422
  511    HA   GLU  62           HA       GLU  62 -16.743  21.228   5.229
  512   1HB   GLU  62          2HB       GLU  62 -16.601  23.155   3.387
  513   2HB   GLU  62          1HB       GLU  62 -17.530  21.984   2.462
  514   1HG   GLU  62          2HG       GLU  62 -19.306  22.919   3.425
  515   2HG   GLU  62          1HG       GLU  62 -18.849  21.977   4.843
  516    H    ALA  63           H        ALA  63 -15.973  20.035   1.975
  517    HA   ALA  63           HA       ALA  63 -18.079  18.173   1.804
  518   1HB   ALA  63          1HB       ALA  63 -16.267  17.060   0.186
  519   2HB   ALA  63          2HB       ALA  63 -15.552  18.664   0.347
  520   3HB   ALA  63          3HB       ALA  63 -17.198  18.490  -0.260
  521    H    THR  64           H        THR  64 -14.776  17.906   3.027
  522    HA   THR  64           HA       THR  64 -14.817  15.106   3.443
  523    HB   THR  64           HB       THR  64 -13.162  16.917   5.155
  524    HG1  THR  64           1HG      THR  64 -12.828  16.524   2.369
  525   1HG2  THR  64          1HG2      THR  64 -12.260  14.557   3.548
  526   2HG2  THR  64          2HG2      THR  64 -12.976  14.381   5.150
  527   3HG2  THR  64          3HG2      THR  64 -11.490  15.307   4.947
  528    H    ALA  65           H        ALA  65 -15.305  17.835   5.679
  529    HA   ALA  65           HA       ALA  65 -15.820  16.309   7.969
  530   1HB   ALA  65          1HB       ALA  65 -15.479  18.917   7.558
  531   2HB   ALA  65          2HB       ALA  65 -16.272  18.282   9.001
  532   3HB   ALA  65          3HB       ALA  65 -17.239  18.892   7.660
  533    H    TRP  66           H        TRP  66 -18.022  17.591   5.502
  534    HA   TRP  66           HA       TRP  66 -20.407  16.728   6.756
  535   1HB   TRP  66          2HB       TRP  66 -19.884  18.348   4.664
  536   2HB   TRP  66          1HB       TRP  66 -20.354  16.890   3.796
  537    HD1  TRP  66           HD       TRP  66 -21.768  19.571   6.134
  538    HE1  TRP  66           1HE      TRP  66 -24.338  19.463   6.050
  539    HE3  TRP  66           3HE      TRP  66 -22.311  15.320   3.345
  540    HZ2  TRP  66           2HZ      TRP  66 -26.332  17.795   4.948
  541    HZ3  TRP  66           3HZ      TRP  66 -24.583  14.537   2.821
  542    HH2  TRP  66           HH       TRP  66 -26.550  15.750   3.606
  543    H    ALA  67           H        ALA  67 -18.268  15.244   4.371
  544    HA   ALA  67           HA       ALA  67 -19.922  12.984   3.875
  545   1HB   ALA  67          1HB       ALA  67 -17.527  12.076   3.132
  546   2HB   ALA  67          2HB       ALA  67 -17.160  13.801   3.190
  547   3HB   ALA  67          3HB       ALA  67 -18.461  13.210   2.156
  548    H    LEU  68           H        LEU  68 -17.232  13.611   6.079
  549    HA   LEU  68           HA       LEU  68 -16.895  10.970   6.994
  550   1HB   LEU  68          2HB       LEU  68 -15.403  13.060   7.316
  551   2HB   LEU  68          1HB       LEU  68 -16.413  13.383   8.711
  552    HG   LEU  68           HG       LEU  68 -15.631  10.694   8.960
  553   1HD1  LEU  68          1HD1      LEU  68 -13.463  10.471   8.407
  554   2HD1  LEU  68          2HD1      LEU  68 -13.083  12.152   8.779
  555   3HD1  LEU  68          3HD1      LEU  68 -13.837  11.738   7.239
  556   1HD2  LEU  68          1HD2      LEU  68 -15.158  13.266  10.338
  557   2HD2  LEU  68          2HD2      LEU  68 -14.062  11.941  10.732
  558   3HD2  LEU  68          3HD2      LEU  68 -15.800  11.745  10.958
  559    H    LYS  69           H        LYS  69 -18.939  13.621   8.141
  560    HA   LYS  69           HA       LYS  69 -19.884  12.246  10.445
  561   1HB   LYS  69          2HB       LYS  69 -19.961  14.821   9.665
  562   2HB   LYS  69          1HB       LYS  69 -21.590  14.334   9.215
  563   1HG   LYS  69          2HG       LYS  69 -21.043  13.350  11.829
  564   2HG   LYS  69          1HG       LYS  69 -20.610  15.059  11.764
  565   1HD   LYS  69          2HD       LYS  69 -22.875  15.033  12.383
  566   2HD   LYS  69          1HD       LYS  69 -22.884  15.418  10.661
  567   1HE   LYS  69          2HE       LYS  69 -23.539  13.225  10.076
  568   2HE   LYS  69          1HE       LYS  69 -23.194  12.612  11.693
  569   1HZ   LYS  69          1HZ       LYS  69 -25.149  13.359  12.493
  570   2HZ   LYS  69          2HZ       LYS  69 -25.629  13.240  10.876
  571   3HZ   LYS  69          3HZ       LYS  69 -25.170  14.738  11.513
  572    H    VAL  70           H        VAL  70 -21.309  12.833   7.235
  573    HA   VAL  70           HA       VAL  70 -23.694  11.389   7.761
  574    HB   VAL  70           HB       VAL  70 -24.054  11.437   5.323
  575   1HG1  VAL  70          1HG1      VAL  70 -23.070  14.168   5.783
  576   2HG1  VAL  70          2HG1      VAL  70 -24.122  13.525   7.045
  577   3HG1  VAL  70          3HG1      VAL  70 -24.686  13.594   5.375
  578   1HG2  VAL  70          1HG2      VAL  70 -22.038  11.148   4.259
  579   2HG2  VAL  70          2HG2      VAL  70 -21.187  12.255   5.336
  580   3HG2  VAL  70          3HG2      VAL  70 -22.255  12.889   4.084
  581    H    ALA  71           H        ALA  71 -20.666  10.509   6.121
  582    HA   ALA  71           HA       ALA  71 -21.378   7.969   5.246
  583   1HB   ALA  71          1HB       ALA  71 -18.659   8.775   6.275
  584   2HB   ALA  71          2HB       ALA  71 -19.273   9.157   4.666
  585   3HB   ALA  71          3HB       ALA  71 -19.026   7.476   5.139
  586    H    GLU  72           H        GLU  72 -20.008   8.981   8.352
  587    HA   GLU  72           HA       GLU  72 -19.960   6.370   9.478
  588   1HB   GLU  72          2HB       GLU  72 -18.514   8.122  10.345
  589   2HB   GLU  72          1HB       GLU  72 -19.910   9.099  10.781
  590   1HG   GLU  72          2HG       GLU  72 -20.312   6.663  12.067
  591   2HG   GLU  72          1HG       GLU  72 -18.593   7.006  12.258
  592    H    ASN  73           H        ASN  73 -22.275   9.018   9.469
  593    HA   ASN  73           HA       ASN  73 -24.031   7.919  11.399
  594   1HB   ASN  73          2HB       ASN  73 -24.069  10.163   9.490
  595   2HB   ASN  73          1HB       ASN  73 -25.653   9.512   9.904
  596   1HD2  ASN  73          1HD2      ASN  73 -26.526  10.823  11.334
  597   2HD2  ASN  73          2HD2      ASN  73 -25.753  11.439  12.751
  598    H    GLU  74           H        GLU  74 -23.924   7.745   7.868
  599    HA   GLU  74           HA       GLU  74 -26.363   6.230   7.715
  600   1HB   GLU  74          2HB       GLU  74 -24.949   7.794   5.947
  601   2HB   GLU  74          1HB       GLU  74 -24.645   6.168   5.351
  602   1HG   GLU  74          2HG       GLU  74 -27.441   6.856   6.027
  603   2HG   GLU  74          1HG       GLU  74 -26.742   7.614   4.596
  604    H    LEU  75           H        LEU  75 -22.902   5.486   7.375
  605    HA   LEU  75           HA       LEU  75 -23.570   2.661   7.036
  606   1HB   LEU  75          2HB       LEU  75 -21.090   4.277   6.602
  607   2HB   LEU  75          1HB       LEU  75 -20.986   2.535   6.768
  608    HG   LEU  75           HG       LEU  75 -23.031   3.072   4.874
  609   1HD1  LEU  75          1HD1      LEU  75 -22.122   5.266   4.518
  610   2HD1  LEU  75          2HD1      LEU  75 -21.695   4.242   3.146
  611   3HD1  LEU  75          3HD1      LEU  75 -20.490   4.613   4.379
  612   1HD2  LEU  75          1HD2      LEU  75 -21.976   1.099   4.504
  613   2HD2  LEU  75          2HD2      LEU  75 -20.398   1.724   4.984
  614   3HD2  LEU  75          3HD2      LEU  75 -21.045   2.098   3.386
  615    H    GLY  76           H        GLY  76 -21.775   4.778   9.244
  616   1HA   GLY  76          2HA       GLY  76 -21.657   4.361  11.587
  617   2HA   GLY  76          1HA       GLY  76 -21.976   2.665  11.271
  618    H    ILE  77           H        ILE  77 -19.614   4.397   9.394
  619    HA   ILE  77           HA       ILE  77 -17.550   2.589  10.289
  620    HB   ILE  77           HB       ILE  77 -17.723   3.213   7.916
  621   1HG1  ILE  77          2HG1      ILE  77 -15.139   4.341   8.972
  622   2HG1  ILE  77          1HG1      ILE  77 -15.518   2.629   9.122
  623   1HG2  ILE  77          1HG2      ILE  77 -16.523   5.866   8.284
  624   2HG2  ILE  77          2HG2      ILE  77 -18.209   5.733   8.786
  625   3HG2  ILE  77          3HG2      ILE  77 -17.745   5.318   7.136
  626   1HD1  ILE  77          1HD1      ILE  77 -15.605   2.373   6.755
  627   2HD1  ILE  77          2HD1      ILE  77 -14.107   3.210   7.165
  628   3HD1  ILE  77          3HD1      ILE  77 -15.473   4.114   6.510
  629    H    THR  78           H        THR  78 -16.064   2.973  11.793
  630    HA   THR  78           HA       THR  78 -16.123   5.393  13.310
  631    HB   THR  78           HB       THR  78 -15.677   3.372  14.491
  632    HG1  THR  78           1HG      THR  78 -14.389   5.289  15.036
  633   1HG2  THR  78          1HG2      THR  78 -13.213   2.418  13.897
  634   2HG2  THR  78          2HG2      THR  78 -13.831   2.817  12.294
  635   3HG2  THR  78          3HG2      THR  78 -14.729   1.715  13.337
  636    HA   PRO  79           HA       PRO  79 -13.369   7.657  10.552
  637   1HB   PRO  79          2HB       PRO  79 -13.202   9.372  12.984
  638   2HB   PRO  79          1HB       PRO  79 -13.535   9.823  11.307
  639   1HG   PRO  79          2HG       PRO  79 -15.497   9.745  13.102
  640   2HG   PRO  79          1HG       PRO  79 -15.763   9.192  11.439
  641   1HD   PRO  79          2HD       PRO  79 -15.379   7.594  13.933
  642   2HD   PRO  79          1HD       PRO  79 -16.427   7.273  12.536
  643    H    VAL  80           H        VAL  80 -11.191   7.672  10.306
  644    HA   VAL  80           HA       VAL  80  -9.571   6.806  12.612
  645    HB   VAL  80           HB       VAL  80  -8.941   6.319   9.700
  646   1HG1  VAL  80          1HG1      VAL  80  -7.549   5.810  12.248
  647   2HG1  VAL  80          2HG1      VAL  80  -6.899   6.069  10.630
  648   3HG1  VAL  80          3HG1      VAL  80  -7.534   4.488  11.083
  649   1HG2  VAL  80          1HG2      VAL  80 -10.997   5.133  10.555
  650   2HG2  VAL  80          2HG2      VAL  80  -9.939   4.290  11.686
  651   3HG2  VAL  80          3HG2      VAL  80  -9.710   4.090   9.949
  652    H    VAL  81           H        VAL  81 -10.101   9.307  10.370
  653    HA   VAL  81           HA       VAL  81  -7.725  10.693  11.331
  654    HB   VAL  81           HB       VAL  81  -7.237  11.508   8.989
  655   1HG1  VAL  81          1HG1      VAL  81  -6.717   8.616   8.877
  656   2HG1  VAL  81          2HG1      VAL  81  -6.229   9.413  10.373
  657   3HG1  VAL  81          3HG1      VAL  81  -5.596   9.978   8.826
  658   1HG2  VAL  81          1HG2      VAL  81  -8.806   9.078   8.150
  659   2HG2  VAL  81          2HG2      VAL  81  -8.017  10.263   7.111
  660   3HG2  VAL  81          3HG2      VAL  81  -9.430  10.725   8.062
  661    H    SER  82           H        SER  82  -7.780  13.015  10.858
  662    HA   SER  82           HA       SER  82 -10.490  14.022  11.075
  663   1HB   SER  82          2HB       SER  82  -7.767  15.071  11.630
  664   2HB   SER  82          1HB       SER  82  -8.997  16.256  11.192
  665    HG   SER  82           HG       SER  82  -8.858  15.818  13.471
  666    H    ALA  83           H        ALA  83 -11.221  15.874   9.812
  667    HA   ALA  83           HA       ALA  83 -10.967  15.436   7.040
  668   1HB   ALA  83          1HB       ALA  83 -12.297  17.485   8.739
  669   2HB   ALA  83          2HB       ALA  83 -12.988  16.377   7.553
  670   3HB   ALA  83          3HB       ALA  83 -12.109  17.809   7.015
  671    H    GLN  84           H        GLN  84  -9.608  17.917   9.178
  672    HA   GLN  84           HA       GLN  84  -8.401  19.522   7.247
  673   1HB   GLN  84          2HB       GLN  84  -8.648  19.922   9.770
  674   2HB   GLN  84          1HB       GLN  84  -7.175  18.978   9.943
  675   1HG   GLN  84          2HG       GLN  84  -5.976  20.567   8.541
  676   2HG   GLN  84          1HG       GLN  84  -7.455  21.504   8.326
  677   1HE2  GLN  84          1HE2      GLN  84  -5.403  20.186  10.901
  678   2HE2  GLN  84          2HE2      GLN  84  -5.540  21.553  11.948
  679    H    ALA  85           H        ALA  85  -7.199  16.619   8.872
  680    HA   ALA  85           HA       ALA  85  -4.585  16.691   7.823
  681   1HB   ALA  85          1HB       ALA  85  -4.644  15.214   9.539
  682   2HB   ALA  85          2HB       ALA  85  -4.926  14.067   8.228
  683   3HB   ALA  85          3HB       ALA  85  -6.285  14.682   9.169
  684    H    VAL  86           H        VAL  86  -7.575  15.220   6.647
  685    HA   VAL  86           HA       VAL  86  -6.452  13.812   4.482
  686    HB   VAL  86           HB       VAL  86  -9.243  14.955   4.623
  687   1HG1  VAL  86          1HG1      VAL  86  -8.345  12.448   3.232
  688   2HG1  VAL  86          2HG1      VAL  86  -8.349  14.020   2.431
  689   3HG1  VAL  86          3HG1      VAL  86  -9.856  13.333   3.034
  690   1HG2  VAL  86          1HG2      VAL  86  -9.877  13.363   6.076
  691   2HG2  VAL  86          2HG2      VAL  86  -8.166  13.309   6.499
  692   3HG2  VAL  86          3HG2      VAL  86  -8.829  12.143   5.353
  693    H    VAL  87           H        VAL  87  -8.055  16.994   4.597
  694    HA   VAL  87           HA       VAL  87  -7.715  17.620   1.882
  695    HB   VAL  87           HB       VAL  87  -7.840  19.593   4.165
  696   1HG1  VAL  87          1HG1      VAL  87  -7.372  20.890   2.335
  697   2HG1  VAL  87          2HG1      VAL  87  -9.132  20.830   2.233
  698   3HG1  VAL  87          3HG1      VAL  87  -8.152  19.779   1.210
  699   1HG2  VAL  87          1HG2      VAL  87 -10.365  19.484   3.212
  700   2HG2  VAL  87          2HG2      VAL  87  -9.797  18.563   4.603
  701   3HG2  VAL  87          3HG2      VAL  87  -9.875  17.802   3.015
  702    H    ALA  88           H        ALA  88  -5.582  17.937   4.634
  703    HA   ALA  88           HA       ALA  88  -3.677  19.573   3.196
  704   1HB   ALA  88          1HB       ALA  88  -3.092  18.230   5.802
  705   2HB   ALA  88          2HB       ALA  88  -4.190  19.608   5.732
  706   3HB   ALA  88          3HB       ALA  88  -2.522  19.782   5.191
  707    H    GLY  89           H        GLY  89  -4.349  16.250   3.448
  708   1HA   GLY  89          2HA       GLY  89  -3.226  14.372   2.760
  709   2HA   GLY  89          1HA       GLY  89  -2.355  15.452   1.684
  710    H    SER  90           H        SER  90  -2.304  15.551   5.207
  711    HA   SER  90           HA       SER  90   0.570  14.924   5.093
  712   1HB   SER  90          2HB       SER  90   0.056  16.091   7.581
  713   2HB   SER  90          1HB       SER  90   0.808  16.871   6.190
  714    HG   SER  90           HG       SER  90  -1.082  17.795   5.663
  715    H    ASP  91           H        ASP  91  -1.579  12.962   5.228
  716    HA   ASP  91           HA       ASP  91  -0.621  11.514   7.556
  717   1HB   ASP  91          2HB       ASP  91  -2.869  12.914   7.966
  718   2HB   ASP  91          1HB       ASP  91  -3.578  11.475   7.238
  719    HA   PRO  92           HA       PRO  92  -1.274   9.123   3.523
  720   1HB   PRO  92          2HB       PRO  92   1.368   8.094   4.409
  721   2HB   PRO  92          1HB       PRO  92   0.830   8.576   2.796
  722   1HG   PRO  92          2HG       PRO  92   2.480  10.125   4.203
  723   2HG   PRO  92          1HG       PRO  92   1.197  10.829   3.201
  724   1HD   PRO  92          2HD       PRO  92   1.307  10.470   6.167
  725   2HD   PRO  92          1HD       PRO  92   0.649  11.816   5.217
  726    H    LEU  93           H        LEU  93   0.167   8.097   6.611
  727    HA   LEU  93           HA       LEU  93  -0.540   5.380   6.407
  728   1HB   LEU  93          2HB       LEU  93   0.335   7.200   8.579
  729   2HB   LEU  93          1HB       LEU  93  -0.459   5.715   9.067
  730    HG   LEU  93           HG       LEU  93   1.336   4.721   7.311
  731   1HD1  LEU  93          1HD1      LEU  93   2.484   6.676   6.743
  732   2HD1  LEU  93          2HD1      LEU  93   3.508   5.900   7.951
  733   3HD1  LEU  93          3HD1      LEU  93   2.487   7.265   8.407
  734   1HD2  LEU  93          1HD2      LEU  93   0.975   3.924   9.574
  735   2HD2  LEU  93          2HD2      LEU  93   1.813   5.332  10.225
  736   3HD2  LEU  93          3HD2      LEU  93   2.698   4.142   9.270
  737    H    GLY  94           H        GLY  94  -2.255   8.183   7.672
  738   1HA   GLY  94          2HA       GLY  94  -4.389   6.702   8.851
  739   2HA   GLY  94          1HA       GLY  94  -4.392   8.422   8.496
  740    H    LEU  95           H        LEU  95  -3.938   8.251   5.706
  741    HA   LEU  95           HA       LEU  95  -6.565   7.971   4.769
  742   1HB   LEU  95          2HB       LEU  95  -3.980   8.674   3.686
  743   2HB   LEU  95          1HB       LEU  95  -4.873   7.683   2.548
  744    HG   LEU  95           HG       LEU  95  -6.433   9.877   3.738
  745   1HD1  LEU  95          1HD1      LEU  95  -4.056  10.780   3.400
  746   2HD1  LEU  95          2HD1      LEU  95  -5.394  11.667   2.671
  747   3HD1  LEU  95          3HD1      LEU  95  -4.389  10.615   1.677
  748   1HD2  LEU  95          1HD2      LEU  95  -7.219   8.384   1.924
  749   2HD2  LEU  95          2HD2      LEU  95  -5.956   9.037   0.882
  750   3HD2  LEU  95          3HD2      LEU  95  -7.238  10.090   1.479
  751    H    ILE  96           H        ILE  96  -3.781   5.790   4.557
  752    HA   ILE  96           HA       ILE  96  -5.075   3.823   2.977
  753    HB   ILE  96           HB       ILE  96  -2.765   3.414   4.880
  754   1HG1  ILE  96          2HG1      ILE  96  -2.602   4.003   1.923
  755   2HG1  ILE  96          1HG1      ILE  96  -2.494   5.264   3.147
  756   1HG2  ILE  96          1HG2      ILE  96  -2.510   1.351   4.031
  757   2HG2  ILE  96          2HG2      ILE  96  -2.923   1.863   2.397
  758   3HG2  ILE  96          3HG2      ILE  96  -4.201   1.519   3.561
  759   1HD1  ILE  96          1HD1      ILE  96  -0.527   3.248   2.325
  760   2HD1  ILE  96          2HD1      ILE  96  -0.639   3.539   4.061
  761   3HD1  ILE  96          3HD1      ILE  96  -0.296   4.875   2.964
  762    H    ALA  97           H        ALA  97  -4.661   4.240   6.465
  763    HA   ALA  97           HA       ALA  97  -5.711   1.781   7.293
  764   1HB   ALA  97          1HB       ALA  97  -5.332   4.441   8.561
  765   2HB   ALA  97          2HB       ALA  97  -4.699   2.863   9.028
  766   3HB   ALA  97          3HB       ALA  97  -6.379   3.277   9.372
  767    H    TYR  98           H        TYR  98  -7.320   4.895   6.722
  768    HA   TYR  98           HA       TYR  98  -9.904   4.025   7.480
  769   1HB   TYR  98          2HB       TYR  98  -8.985   6.435   7.160
  770   2HB   TYR  98          1HB       TYR  98  -9.434   6.210   5.473
  771    HD1  TYR  98           1HD      TYR  98 -11.186   5.076   8.561
  772    HD2  TYR  98           2HD      TYR  98 -11.266   7.610   5.144
  773    HE1  TYR  98           1HE      TYR  98 -13.498   5.717   9.097
  774    HE2  TYR  98           2HE      TYR  98 -13.578   8.259   5.671
  775    HH   TYR  98           HH       TYR  98 -15.057   7.524   8.659
  776    H    LEU  99           H        LEU  99  -8.234   4.188   4.367
  777    HA   LEU  99           HA       LEU  99 -10.395   3.466   2.733
  778   1HB   LEU  99          2HB       LEU  99  -7.458   3.542   2.489
  779   2HB   LEU  99          1HB       LEU  99  -8.263   2.418   1.409
  780    HG   LEU  99           HG       LEU  99  -7.879   4.607   0.359
  781   1HD1  LEU  99          1HD1      LEU  99  -9.756   3.232  -0.371
  782   2HD1  LEU  99          2HD1      LEU  99 -10.144   4.949  -0.482
  783   3HD1  LEU  99          3HD1      LEU  99 -10.789   3.983   0.846
  784   1HD2  LEU  99          1HD2      LEU  99  -9.261   5.531   2.803
  785   2HD2  LEU  99          2HD2      LEU  99  -9.668   6.360   1.301
  786   3HD2  LEU  99          3HD2      LEU  99  -7.993   6.305   1.851
  787    H    SER 100           H        SER 100  -8.171   1.548   4.645
  788    HA   SER 100           HA       SER 100  -8.688  -0.973   3.544
  789   1HB   SER 100          2HB       SER 100  -7.611  -1.875   5.426
  790   2HB   SER 100          1HB       SER 100  -6.902  -0.268   5.277
  791    HG   SER 100           HG       SER 100  -7.982  -1.219   7.397
  792    H    HIS 101           H        HIS 101 -10.405   0.899   5.976
  793    HA   HIS 101           HA       HIS 101 -12.188  -1.199   6.728
  794   1HB   HIS 101          2HB       HIS 101 -11.774   1.612   7.406
  795   2HB   HIS 101          1HB       HIS 101 -13.479   1.174   7.351
  796    HD1  HIS 101           1HD      HIS 101 -13.285  -1.684   8.511
  797    HD2  HIS 101           2HD      HIS 101 -11.353   1.635  10.100
  798    HE1  HIS 101           1HE      HIS 101 -12.857  -2.246  10.924
  799    HE2  HIS 101           2HE      HIS 101 -11.758  -0.193  11.885
  800    H    PHE 102           H        PHE 102 -12.491   1.646   4.617
  801    HA   PHE 102           HA       PHE 102 -15.155   1.192   3.844
  802   1HB   PHE 102          2HB       PHE 102 -12.948   2.918   3.004
  803   2HB   PHE 102          1HB       PHE 102 -14.004   2.460   1.673
  804    HD1  PHE 102           1HD      PHE 102 -13.442   4.918   3.990
  805    HD2  PHE 102           2HD      PHE 102 -16.621   2.547   2.447
  806    HE1  PHE 102           1HE      PHE 102 -15.058   6.637   4.686
  807    HE2  PHE 102           2HE      PHE 102 -18.242   4.263   3.137
  808    HZ   PHE 102           HZ       PHE 102 -17.462   6.312   4.259
  809    H    HIS 103           H        HIS 103 -12.116  -0.079   2.671
  810    HA   HIS 103           HA       HIS 103 -12.978  -1.129   0.219
  811   1HB   HIS 103          2HB       HIS 103 -10.586  -0.969   1.377
  812   2HB   HIS 103          1HB       HIS 103 -10.959  -2.632   1.817
  813    HD1  HIS 103           1HD      HIS 103 -10.950  -4.381  -0.055
  814    HD2  HIS 103           2HD      HIS 103 -10.186  -0.518  -1.378
  815    HE1  HIS 103           1HE      HIS 103 -10.134  -4.630  -2.421
  816    HE2  HIS 103           2HE      HIS 103  -9.580  -2.287  -3.165
  817    H    SER 104           H        SER 104 -12.766  -2.679   3.418
  818    HA   SER 104           HA       SER 104 -13.858  -5.152   2.588
  819   1HB   SER 104          2HB       SER 104 -13.194  -3.855   5.164
  820   2HB   SER 104          1HB       SER 104 -14.433  -5.108   5.236
  821    HG   SER 104           HG       SER 104 -13.001  -6.587   4.536
  822    H    ALA 105           H        ALA 105 -15.289  -2.179   3.787
  823    HA   ALA 105           HA       ALA 105 -17.880  -3.191   4.281
  824   1HB   ALA 105          1HB       ALA 105 -18.593  -0.863   4.289
  825   2HB   ALA 105          2HB       ALA 105 -17.062  -0.378   3.564
  826   3HB   ALA 105          3HB       ALA 105 -17.090  -1.059   5.190
  827    H    PHE 106           H        PHE 106 -16.428  -1.641   1.439
  828    HA   PHE 106           HA       PHE 106 -18.779  -1.620  -0.128
  829   1HB   PHE 106          2HB       PHE 106 -15.852  -1.350  -0.706
  830   2HB   PHE 106          1HB       PHE 106 -16.980  -1.544  -2.043
  831    HD1  PHE 106           1HD      PHE 106 -17.639   0.280   1.108
  832    HD2  PHE 106           2HD      PHE 106 -16.780   0.566  -3.048
  833    HE1  PHE 106           1HE      PHE 106 -18.132   2.689   1.175
  834    HE2  PHE 106           2HE      PHE 106 -17.271   2.976  -2.989
  835    HZ   PHE 106           HZ       PHE 106 -17.949   4.040  -0.874
  836    H    LYS 107           H        LYS 107 -16.282  -4.017   0.415
  837    HA   LYS 107           HA       LYS 107 -16.906  -5.728  -1.737
  838   1HB   LYS 107          2HB       LYS 107 -14.838  -5.753  -0.225
  839   2HB   LYS 107          1HB       LYS 107 -15.826  -6.651   0.919
  840   1HG   LYS 107          2HG       LYS 107 -16.161  -8.415  -0.712
  841   2HG   LYS 107          1HG       LYS 107 -15.240  -7.501  -1.910
  842   1HD   LYS 107          2HD       LYS 107 -13.838  -9.213  -0.925
  843   2HD   LYS 107          1HD       LYS 107 -13.264  -7.617  -0.438
  844   1HE   LYS 107          2HE       LYS 107 -13.890  -7.904   1.740
  845   2HE   LYS 107          1HE       LYS 107 -15.220  -8.986   1.328
  846   1HZ   LYS 107          1HZ       LYS 107 -13.601 -10.726   0.859
  847   2HZ   LYS 107          2HZ       LYS 107 -13.449 -10.172   2.450
  848   3HZ   LYS 107          3HZ       LYS 107 -12.334  -9.686   1.275
  849    H    SER 108           H        SER 108 -18.284  -5.322   1.448
  850    HA   SER 108           HA       SER 108 -20.083  -7.597   0.965
  851   1HB   SER 108          2HB       SER 108 -20.598  -7.430   3.402
  852   2HB   SER 108          1HB       SER 108 -18.898  -7.764   3.074
  853    HG   SER 108           HG       SER 108 -19.020  -6.144   4.606
  854    H    MET 109           H        MET 109 -20.364  -4.993  -0.314
  855    HA   MET 109           HA       MET 109 -23.128  -4.629  -0.020
  856   1HB   MET 109          2HB       MET 109 -21.923  -3.485   2.096
  857   2HB   MET 109          1HB       MET 109 -21.825  -2.150   0.956
  858   1HG   MET 109          2HG       MET 109 -24.255  -2.272   0.630
  859   2HG   MET 109          1HG       MET 109 -24.333  -3.573   1.816
  860   1HE   MET 109          1HE       MET 109 -26.174  -2.241   2.664
  861   2HE   MET 109          2HE       MET 109 -26.063  -0.501   2.406
  862   3HE   MET 109          3HE       MET 109 -25.968  -1.157   4.039
  Start of MODEL   11
    1   1H    MET  -8          1HT       MET  -8   9.556   6.912  -7.804
    2   2H    MET  -8          2HT       MET  -8  11.253   6.662  -7.902
    3   3H    MET  -8          3HT       MET  -8  10.631   8.032  -7.073
    4    HA   MET  -8           HA       MET  -8   9.631   6.635  -5.444
    5   1HB   MET  -8          2HB       MET  -8  10.619   4.552  -7.346
    6   2HB   MET  -8          1HB       MET  -8  10.561   4.160  -5.632
    7   1HG   MET  -8          2HG       MET  -8   8.132   4.984  -5.740
    8   2HG   MET  -8          1HG       MET  -8   8.311   4.826  -7.485
    9   1HE   MET  -8          1HE       MET  -8   6.074   2.295  -5.718
   10   2HE   MET  -8          2HE       MET  -8   6.744   3.726  -4.933
   11   3HE   MET  -8          3HE       MET  -8   7.210   2.117  -4.380
   12    H    GLY  -7           H        GLY  -7  10.871   5.694  -3.628
   13   1HA   GLY  -7          2HA       GLY  -7  13.771   5.879  -3.823
   14   2HA   GLY  -7          1HA       GLY  -7  12.995   7.069  -2.788
   15    H    HIS  -6           H        HIS  -6  14.738   4.460  -2.522
   16    HA   HIS  -6           HA       HIS  -6  13.125   3.251  -0.376
   17   1HB   HIS  -6          2HB       HIS  -6  14.494   1.240  -0.652
   18   2HB   HIS  -6          1HB       HIS  -6  13.726   1.687  -2.172
   19    HD1  HIS  -6           1HD      HIS  -6  17.043   1.312  -0.543
   20    HD2  HIS  -6           2HD      HIS  -6  15.498   2.620  -4.171
   21    HE1  HIS  -6           1HE      HIS  -6  19.015   1.468  -2.096
   22    HE2  HIS  -6           2HE      HIS  -6  18.071   2.367  -4.251
   23    H    HIS  -5           H        HIS  -5  14.235   2.606   1.570
   24    HA   HIS  -5           HA       HIS  -5  16.790   3.963   2.055
   25   1HB   HIS  -5          2HB       HIS  -5  14.438   5.051   2.929
   26   2HB   HIS  -5          1HB       HIS  -5  14.907   4.073   4.316
   27    HD1  HIS  -5           1HD      HIS  -5  17.761   4.495   4.717
   28    HD2  HIS  -5           2HD      HIS  -5  15.336   7.558   3.304
   29    HE1  HIS  -5           1HE      HIS  -5  18.996   6.622   5.236
   30    HE2  HIS  -5           2HE      HIS  -5  17.466   8.465   4.456
   31    H    HIS  -4           H        HIS  -4  14.350   1.742   3.371
   32    HA   HIS  -4           HA       HIS  -4  16.342   0.415   5.010
   33   1HB   HIS  -4          2HB       HIS  -4  13.722   0.845   5.428
   34   2HB   HIS  -4          1HB       HIS  -4  13.631  -0.752   4.694
   35    HD1  HIS  -4           1HD      HIS  -4  14.686  -2.726   6.019
   36    HD2  HIS  -4           2HD      HIS  -4  14.790   0.926   7.999
   37    HE1  HIS  -4           1HE      HIS  -4  15.266  -3.271   8.404
   38    HE2  HIS  -4           2HE      HIS  -4  15.416  -1.038   9.560
   39    H    HIS  -3           H        HIS  -3  14.609  -0.100   2.019
   40    HA   HIS  -3           HA       HIS  -3  14.815  -1.652   0.369
   41   1HB   HIS  -3          2HB       HIS  -3  17.235  -1.004   0.624
   42   2HB   HIS  -3          1HB       HIS  -3  17.433  -2.394   1.685
   43    HD1  HIS  -3           1HD      HIS  -3  17.857  -4.608   0.590
   44    HD2  HIS  -3           2HD      HIS  -3  16.568  -1.721  -2.106
   45    HE1  HIS  -3           1HE      HIS  -3  18.106  -5.654  -1.682
   46    HE2  HIS  -3           2HE      HIS  -3  17.250  -3.914  -3.294
   47    H    HIS  -2           H        HIS  -2  14.927  -4.021  -0.071
   48    HA   HIS  -2           HA       HIS  -2  14.224  -6.142   0.351
   49   1HB   HIS  -2          2HB       HIS  -2  16.296  -6.033   1.829
   50   2HB   HIS  -2          1HB       HIS  -2  15.202  -5.747   3.178
   51    HD1  HIS  -2           1HD      HIS  -2  15.777  -8.365   0.481
   52    HD2  HIS  -2           2HD      HIS  -2  14.292  -8.020   4.347
   53    HE1  HIS  -2           1HE      HIS  -2  15.274 -10.715   1.220
   54    HE2  HIS  -2           2HE      HIS  -2  14.286 -10.472   3.525
   55    H    HIS  -1           H        HIS  -1  12.405  -3.930   0.766
   56    HA   HIS  -1           HA       HIS  -1  10.664  -5.030   2.870
   57   1HB   HIS  -1          2HB       HIS  -1  11.480  -2.517   2.798
   58   2HB   HIS  -1          1HB       HIS  -1  10.166  -2.350   1.638
   59    HD1  HIS  -1           1HD      HIS  -1  10.870  -2.577   5.235
   60    HD2  HIS  -1           2HD      HIS  -1   7.565  -2.930   2.743
   61    HE1  HIS  -1           1HE      HIS  -1   8.869  -2.408   6.748
   62    HE2  HIS  -1           2HE      HIS  -1   6.881  -2.719   5.229
   63    H    MET   0           H        MET   0   8.376  -5.137   2.435
   64    HA   MET   0           HA       MET   0   7.347  -4.782  -0.198
   65   1HB   MET   0          2HB       MET   0   8.780  -6.987  -0.179
   66   2HB   MET   0          1HB       MET   0   7.366  -7.658   0.621
   67   1HG   MET   0          2HG       MET   0   6.005  -7.333  -1.233
   68   2HG   MET   0          1HG       MET   0   7.108  -6.162  -1.955
   69   1HE   MET   0          1HE       MET   0   9.096  -6.814  -3.580
   70   2HE   MET   0          2HE       MET   0   7.456  -6.950  -4.215
   71   3HE   MET   0          3HE       MET   0   8.649  -8.197  -4.578
   72    H    GLY   1           H        GLY   1   5.075  -5.375  -0.362
   73   1HA   GLY   1          2HA       GLY   1   3.030  -6.111   0.623
   74   2HA   GLY   1          1HA       GLY   1   3.778  -5.970   2.206
   75    H    SER   2           H        SER   2   4.898  -3.293   1.431
   76    HA   SER   2           HA       SER   2   2.478  -1.772   2.057
   77   1HB   SER   2          2HB       SER   2   5.378  -1.415   2.568
   78   2HB   SER   2          1HB       SER   2   4.444   0.055   2.295
   79    HG   SER   2           HG       SER   2   4.627  -0.887   4.539
   80    H    ALA   3           H        ALA   3   4.999  -2.058  -0.359
   81    HA   ALA   3           HA       ALA   3   4.056   0.260  -1.830
   82   1HB   ALA   3          1HB       ALA   3   6.293   0.187  -2.166
   83   2HB   ALA   3          2HB       ALA   3   5.819  -0.850  -3.511
   84   3HB   ALA   3          3HB       ALA   3   6.373  -1.567  -1.998
   85    H    GLY   4           H        GLY   4   3.743  -3.216  -1.910
   86   1HA   GLY   4          2HA       GLY   4   2.667  -3.323  -4.574
   87   2HA   GLY   4          1HA       GLY   4   2.681  -4.631  -3.400
   88    H    THR   5           H        THR   5   1.352  -2.903  -1.373
   89    HA   THR   5           HA       THR   5  -1.351  -3.513  -2.145
   90    HB   THR   5           HB       THR   5  -1.778  -2.333   0.156
   91    HG1  THR   5           1HG      THR   5   0.450  -1.503   0.136
   92   1HG2  THR   5          1HG2      THR   5  -1.129  -4.973  -0.540
   93   2HG2  THR   5          2HG2      THR   5  -1.989  -4.402   0.889
   94   3HG2  THR   5          3HG2      THR   5  -0.237  -4.599   0.935
   95    H    GLN   6           H        GLN   6   0.655  -0.666  -1.925
   96    HA   GLN   6           HA       GLN   6  -1.320   1.314  -1.925
   97   1HB   GLN   6          2HB       GLN   6   1.547   1.178  -2.700
   98   2HB   GLN   6          1HB       GLN   6   0.622   2.551  -3.293
   99   1HG   GLN   6          2HG       GLN   6   0.365   1.904  -0.420
  100   2HG   GLN   6          1HG       GLN   6   1.909   2.560  -0.963
  101   1HE2  GLN   6          1HE2      GLN   6  -1.578   3.138  -1.157
  102   2HE2  GLN   6          2HE2      GLN   6  -1.470   4.862  -1.150
  103    H    GLU   7           H        GLU   7   0.275  -0.348  -4.621
  104    HA   GLU   7           HA       GLU   7  -0.969   1.110  -6.687
  105   1HB   GLU   7          2HB       GLU   7   1.057  -0.499  -6.779
  106   2HB   GLU   7          1HB       GLU   7  -0.147  -1.767  -6.964
  107   1HG   GLU   7          2HG       GLU   7  -0.952  -0.809  -8.993
  108   2HG   GLU   7          1HG       GLU   7   0.040   0.631  -8.767
  109    H    GLU   8           H        GLU   8  -1.811  -1.985  -5.158
  110    HA   GLU   8           HA       GLU   8  -4.074  -2.520  -6.744
  111   1HB   GLU   8          2HB       GLU   8  -3.676  -3.382  -3.878
  112   2HB   GLU   8          1HB       GLU   8  -4.648  -4.179  -5.107
  113   1HG   GLU   8          2HG       GLU   8  -2.093  -4.053  -6.195
  114   2HG   GLU   8          1HG       GLU   8  -1.847  -4.466  -4.499
  115    H    LEU   9           H        LEU   9  -3.685  -0.777  -3.695
  116    HA   LEU   9           HA       LEU   9  -6.441  -0.386  -3.193
  117   1HB   LEU   9          2HB       LEU   9  -3.975   1.081  -2.278
  118   2HB   LEU   9          1HB       LEU   9  -5.586   1.529  -1.749
  119    HG   LEU   9           HG       LEU   9  -4.506  -1.251  -1.359
  120   1HD1  LEU   9          1HD1      LEU   9  -4.507   0.616   0.922
  121   2HD1  LEU   9          2HD1      LEU   9  -3.246   0.865  -0.285
  122   3HD1  LEU   9          3HD1      LEU   9  -3.396  -0.695   0.523
  123   1HD2  LEU   9          1HD2      LEU   9  -7.022  -0.388  -1.137
  124   2HD2  LEU   9          2HD2      LEU   9  -6.439   0.048   0.468
  125   3HD2  LEU   9          3HD2      LEU   9  -6.342  -1.625  -0.080
  126    H    LEU  10           H        LEU  10  -4.026   1.492  -4.948
  127    HA   LEU  10           HA       LEU  10  -5.578   3.803  -5.364
  128   1HB   LEU  10          2HB       LEU  10  -3.102   2.652  -6.452
  129   2HB   LEU  10          1HB       LEU  10  -3.960   3.703  -7.564
  130    HG   LEU  10           HG       LEU  10  -3.131   4.510  -4.777
  131   1HD1  LEU  10          1HD1      LEU  10  -1.727   4.625  -7.389
  132   2HD1  LEU  10          2HD1      LEU  10  -1.082   4.398  -5.764
  133   3HD1  LEU  10          3HD1      LEU  10  -1.573   6.004  -6.301
  134   1HD2  LEU  10          1HD2      LEU  10  -3.519   6.807  -5.820
  135   2HD2  LEU  10          2HD2      LEU  10  -4.943   5.853  -5.409
  136   3HD2  LEU  10          3HD2      LEU  10  -4.400   5.950  -7.084
  137    H    ARG  11           H        ARG  11  -5.133   0.888  -7.338
  138    HA   ARG  11           HA       ARG  11  -6.670   1.684  -9.535
  139   1HB   ARG  11          2HB       ARG  11  -6.263  -1.105  -8.444
  140   2HB   ARG  11          1HB       ARG  11  -6.841  -0.713 -10.058
  141   1HG   ARG  11          2HG       ARG  11  -4.286   0.532  -9.330
  142   2HG   ARG  11          1HG       ARG  11  -4.260  -1.230  -9.427
  143   1HD   ARG  11          2HD       ARG  11  -4.085  -1.048 -11.633
  144   2HD   ARG  11          1HD       ARG  11  -5.712  -0.370 -11.662
  145    HE   ARG  11           HE       ARG  11  -4.771   1.621 -12.222
  146   1HH1  ARG  11          1HH1      ARG  11  -2.385  -0.239 -10.479
  147   2HH1  ARG  11          2HH1      ARG  11  -1.143   0.953 -10.661
  148   1HH2  ARG  11          1HH2      ARG  11  -3.136   3.189 -12.461
  149   2HH2  ARG  11          2HH2      ARG  11  -1.568   2.900 -11.784
  150    H    TRP  12           H        TRP  12  -7.599  -0.032  -6.578
  151    HA   TRP  12           HA       TRP  12 -10.311  -0.415  -7.305
  152   1HB   TRP  12          2HB       TRP  12  -9.000  -1.635  -5.489
  153   2HB   TRP  12          1HB       TRP  12  -9.272  -0.217  -4.480
  154    HD1  TRP  12           HD       TRP  12 -11.131  -3.167  -6.061
  155    HE1  TRP  12           1HE      TRP  12 -13.415  -3.413  -4.900
  156    HE3  TRP  12           3HE      TRP  12 -11.060   1.079  -3.213
  157    HZ2  TRP  12           2HZ      TRP  12 -14.980  -1.996  -3.027
  158    HZ3  TRP  12           3HZ      TRP  12 -12.990   1.560  -1.764
  159    HH2  TRP  12           HH       TRP  12 -14.909   0.053  -1.674
  160    H    CYS  13           H        CYS  13  -8.603   2.155  -5.614
  161    HA   CYS  13           HA       CYS  13 -10.894   3.542  -4.704
  162   1HB   CYS  13          2HB       CYS  13  -8.435   3.791  -3.962
  163   2HB   CYS  13          1HB       CYS  13  -8.274   4.875  -5.339
  164    HG   CYS  13           HG       CYS  13 -10.061   5.452  -2.864
  165    H    GLN  14           H        GLN  14  -8.856   3.936  -7.591
  166    HA   GLN  14           HA       GLN  14 -10.234   6.183  -8.603
  167   1HB   GLN  14          2HB       GLN  14  -9.103   5.684 -10.729
  168   2HB   GLN  14          1HB       GLN  14  -7.995   5.627  -9.365
  169   1HG   GLN  14          2HG       GLN  14  -7.691   3.370  -9.525
  170   2HG   GLN  14          1HG       GLN  14  -9.267   3.097 -10.263
  171   1HE2  GLN  14          1HE2      GLN  14  -9.242   2.602 -12.328
  172   2HE2  GLN  14          2HE2      GLN  14  -8.000   3.004 -13.460
  173    H    GLU  15           H        GLU  15 -10.737   2.723  -8.973
  174    HA   GLU  15           HA       GLU  15 -12.603   2.868 -11.094
  175   1HB   GLU  15          2HB       GLU  15 -11.318   0.823 -10.072
  176   2HB   GLU  15          1HB       GLU  15 -12.719   0.710  -9.018
  177   1HG   GLU  15          2HG       GLU  15 -13.599  -0.563 -10.614
  178   2HG   GLU  15          1HG       GLU  15 -13.871   0.947 -11.484
  179    H    GLN  16           H        GLN  16 -12.993   2.730  -7.574
  180    HA   GLN  16           HA       GLN  16 -15.815   2.729  -7.575
  181   1HB   GLN  16          2HB       GLN  16 -13.829   3.593  -5.471
  182   2HB   GLN  16          1HB       GLN  16 -15.561   3.486  -5.191
  183   1HG   GLN  16          2HG       GLN  16 -13.832   1.181  -6.055
  184   2HG   GLN  16          1HG       GLN  16 -14.285   1.524  -4.387
  185   1HE2  GLN  16          1HE2      GLN  16 -16.861   2.141  -4.475
  186   2HE2  GLN  16          2HE2      GLN  16 -17.804   0.842  -5.114
  187    H    THR  17           H        THR  17 -13.439   5.290  -7.738
  188    HA   THR  17           HA       THR  17 -15.471   7.346  -7.397
  189    HB   THR  17           HB       THR  17 -12.515   7.649  -7.948
  190    HG1  THR  17           1HG      THR  17 -12.239   7.254  -5.923
  191   1HG2  THR  17          1HG2      THR  17 -13.334   9.818  -6.495
  192   2HG2  THR  17          2HG2      THR  17 -14.669   9.572  -7.619
  193   3HG2  THR  17          3HG2      THR  17 -13.031   9.792  -8.232
  194    H    ALA  18           H        ALA  18 -14.797   5.435  -9.879
  195    HA   ALA  18           HA       ALA  18 -14.501   7.420 -11.965
  196   1HB   ALA  18          1HB       ALA  18 -13.376   5.454 -12.484
  197   2HB   ALA  18          2HB       ALA  18 -14.855   5.333 -13.437
  198   3HB   ALA  18          3HB       ALA  18 -14.702   4.432 -11.929
  199    H    GLY  19           H        GLY  19 -16.120   8.429 -12.961
  200   1HA   GLY  19          2HA       GLY  19 -18.356   7.709 -14.100
  201   2HA   GLY  19          1HA       GLY  19 -18.858   7.519 -12.428
  202    H    TYR  20           H        TYR  20 -16.934   9.928 -11.926
  203    HA   TYR  20           HA       TYR  20 -19.017  11.929 -12.351
  204   1HB   TYR  20          2HB       TYR  20 -16.464  12.245 -10.769
  205   2HB   TYR  20          1HB       TYR  20 -17.919  13.235 -10.673
  206    HD1  TYR  20           1HD      TYR  20 -19.658  12.671  -9.183
  207    HD2  TYR  20           2HD      TYR  20 -16.589   9.840  -9.987
  208    HE1  TYR  20           1HE      TYR  20 -20.514  11.240  -7.379
  209    HE2  TYR  20           2HE      TYR  20 -17.436   8.401  -8.184
  210    HH   TYR  20           HH       TYR  20 -19.788   9.472  -5.929
  211    HA   PRO  21           HA       PRO  21 -16.666  13.463 -15.843
  212   1HB   PRO  21          2HB       PRO  21 -18.255  15.595 -16.396
  213   2HB   PRO  21          1HB       PRO  21 -18.681  13.936 -16.836
  214   1HG   PRO  21          2HG       PRO  21 -19.593  15.569 -14.498
  215   2HG   PRO  21          1HG       PRO  21 -20.542  14.514 -15.564
  216   1HD   PRO  21          2HD       PRO  21 -19.712  13.729 -13.114
  217   2HD   PRO  21          1HD       PRO  21 -19.872  12.597 -14.471
  218    H    GLY  22           H        GLY  22 -15.242  13.993 -13.701
  219   1HA   GLY  22          2HA       GLY  22 -13.783  16.192 -14.081
  220   2HA   GLY  22          1HA       GLY  22 -15.144  16.857 -13.193
  221    H    VAL  23           H        VAL  23 -13.672  13.682 -12.699
  222    HA   VAL  23           HA       VAL  23 -12.462  14.630 -10.209
  223    HB   VAL  23           HB       VAL  23 -14.217  12.175 -10.298
  224   1HG1  VAL  23          1HG1      VAL  23 -12.527  11.924  -8.649
  225   2HG1  VAL  23          2HG1      VAL  23 -14.002  12.386  -7.799
  226   3HG1  VAL  23          3HG1      VAL  23 -12.738  13.582  -8.086
  227   1HG2  VAL  23          1HG2      VAL  23 -15.620  14.122 -10.535
  228   2HG2  VAL  23          2HG2      VAL  23 -14.796  14.922  -9.197
  229   3HG2  VAL  23          3HG2      VAL  23 -15.780  13.489  -8.896
  230    H    HIS  24           H        HIS  24 -10.426  13.972 -10.133
  231    HA   HIS  24           HA       HIS  24  -9.706  11.451 -11.481
  232   1HB   HIS  24          2HB       HIS  24  -7.413  12.482 -11.715
  233   2HB   HIS  24          1HB       HIS  24  -8.674  13.246 -12.677
  234    HD1  HIS  24           1HD      HIS  24  -6.035  14.011 -10.337
  235    HD2  HIS  24           2HD      HIS  24  -9.683  15.708 -11.372
  236    HE1  HIS  24           1HE      HIS  24  -5.941  16.374  -9.485
  237    HE2  HIS  24           2HE      HIS  24  -8.192  17.358 -10.050
  238    H    VAL  25           H        VAL  25  -9.130   9.891 -10.128
  239    HA   VAL  25           HA       VAL  25  -8.156  10.630  -7.455
  240    HB   VAL  25           HB       VAL  25  -9.170   7.923  -8.314
  241   1HG1  VAL  25          1HG1      VAL  25  -8.080   7.509  -6.358
  242   2HG1  VAL  25          2HG1      VAL  25  -9.639   8.012  -5.705
  243   3HG1  VAL  25          3HG1      VAL  25  -8.295   9.154  -5.759
  244   1HG2  VAL  25          1HG2      VAL  25 -11.171   8.850  -6.805
  245   2HG2  VAL  25          2HG2      VAL  25 -11.132   9.040  -8.557
  246   3HG2  VAL  25          3HG2      VAL  25 -10.630  10.372  -7.514
  247    H    SER  26           H        SER  26  -6.351  10.728  -9.655
  248    HA   SER  26           HA       SER  26  -4.723   8.320  -9.355
  249   1HB   SER  26          2HB       SER  26  -5.141   9.203 -11.639
  250   2HB   SER  26          1HB       SER  26  -4.307  10.690 -11.191
  251    HG   SER  26           HG       SER  26  -3.174   8.087 -11.185
  252    H    ASP  27           H        ASP  27  -5.092  10.553  -7.332
  253    HA   ASP  27           HA       ASP  27  -2.239  10.885  -6.760
  254   1HB   ASP  27          2HB       ASP  27  -4.205  13.143  -6.368
  255   2HB   ASP  27          1HB       ASP  27  -2.451  13.201  -6.217
  256    H    LEU  28           H        LEU  28  -1.705  10.654  -4.636
  257    HA   LEU  28           HA       LEU  28  -3.862   9.832  -2.853
  258   1HB   LEU  28          2HB       LEU  28  -0.957   9.317  -3.045
  259   2HB   LEU  28          1HB       LEU  28  -1.620   9.378  -1.422
  260    HG   LEU  28           HG       LEU  28  -3.062   7.687  -3.386
  261   1HD1  LEU  28          1HD1      LEU  28  -0.429   6.862  -2.174
  262   2HD1  LEU  28          2HD1      LEU  28  -0.719   7.181  -3.884
  263   3HD1  LEU  28          3HD1      LEU  28  -1.525   5.828  -3.088
  264   1HD2  LEU  28          1HD2      LEU  28  -4.009   7.626  -1.276
  265   2HD2  LEU  28          2HD2      LEU  28  -2.447   7.682  -0.460
  266   3HD2  LEU  28          3HD2      LEU  28  -2.970   6.202  -1.263
  267    H    SER  29           H        SER  29  -3.647  12.616  -3.414
  268    HA   SER  29           HA       SER  29  -3.615  13.616  -0.738
  269   1HB   SER  29          2HB       SER  29  -1.291  14.110  -2.525
  270   2HB   SER  29          1HB       SER  29  -1.888  15.483  -1.593
  271    HG   SER  29           HG       SER  29  -1.756  13.980   0.264
  272    H    SER  30           H        SER  30  -2.863  15.274  -3.787
  273    HA   SER  30           HA       SER  30  -4.677  17.349  -3.439
  274   1HB   SER  30          2HB       SER  30  -3.635  16.211  -6.042
  275   2HB   SER  30          1HB       SER  30  -4.374  17.799  -5.841
  276    HG   SER  30           HG       SER  30  -2.277  18.242  -5.643
  277    H    SER  31           H        SER  31  -5.194  14.125  -4.633
  278    HA   SER  31           HA       SER  31  -7.645  14.608  -5.978
  279   1HB   SER  31          2HB       SER  31  -7.752  12.325  -6.309
  280   2HB   SER  31          1HB       SER  31  -6.026  12.519  -6.009
  281    HG   SER  31           HG       SER  31  -7.130  10.810  -4.796
  282    H    TRP  32           H        TRP  32  -6.797  14.038  -2.645
  283    HA   TRP  32           HA       TRP  32  -9.618  13.787  -1.901
  284   1HB   TRP  32          2HB       TRP  32  -7.254  13.620  -0.036
  285   2HB   TRP  32          1HB       TRP  32  -8.884  13.004   0.218
  286    HD1  TRP  32           HD       TRP  32  -5.861  12.308  -2.113
  287    HE1  TRP  32           1HE      TRP  32  -5.832   9.786  -2.634
  288    HE3  TRP  32           3HE      TRP  32 -10.135  10.922   0.327
  289    HZ2  TRP  32           2HZ      TRP  32  -7.409   7.513  -2.083
  290    HZ3  TRP  32           3HZ      TRP  32 -10.804   8.554   0.281
  291    HH2  TRP  32           HH       TRP  32  -9.469   6.886  -0.899
  292    H    ALA  33           H        ALA  33  -7.669  16.280  -2.543
  293    HA   ALA  33           HA       ALA  33  -7.611  17.963  -0.360
  294   1HB   ALA  33          1HB       ALA  33  -7.073  19.635  -1.816
  295   2HB   ALA  33          2HB       ALA  33  -8.291  19.154  -2.995
  296   3HB   ALA  33          3HB       ALA  33  -6.791  18.240  -2.855
  297    H    ASP  34           H        ASP  34 -10.103  18.131  -2.916
  298    HA   ASP  34           HA       ASP  34 -11.854  19.630  -1.195
  299   1HB   ASP  34          2HB       ASP  34 -13.450  19.427  -3.148
  300   2HB   ASP  34          1HB       ASP  34 -11.913  20.213  -3.503
  301    H    GLY  35           H        GLY  35 -11.138  16.409  -1.311
  302   1HA   GLY  35          2HA       GLY  35 -12.139  14.647  -0.206
  303   2HA   GLY  35          1HA       GLY  35 -13.463  15.719   0.222
  304    H    LEU  36           H        LEU  36 -12.397  15.167  -3.073
  305    HA   LEU  36           HA       LEU  36 -15.036  14.446  -3.889
  306   1HB   LEU  36          2HB       LEU  36 -12.482  15.052  -5.158
  307   2HB   LEU  36          1HB       LEU  36 -13.354  13.775  -5.984
  308    HG   LEU  36           HG       LEU  36 -13.776  16.068  -6.879
  309   1HD1  LEU  36          1HD1      LEU  36 -15.449  13.976  -6.698
  310   2HD1  LEU  36          2HD1      LEU  36 -15.858  15.484  -7.515
  311   3HD1  LEU  36          3HD1      LEU  36 -16.403  15.201  -5.863
  312   1HD2  LEU  36          1HD2      LEU  36 -14.073  16.724  -4.188
  313   2HD2  LEU  36          2HD2      LEU  36 -15.699  16.818  -4.863
  314   3HD2  LEU  36          3HD2      LEU  36 -14.393  17.760  -5.578
  315    H    ALA  37           H        ALA  37 -12.006  12.674  -3.439
  316    HA   ALA  37           HA       ALA  37 -12.849  10.208  -4.472
  317   1HB   ALA  37          1HB       ALA  37 -10.500  10.780  -4.000
  318   2HB   ALA  37          2HB       ALA  37 -10.977   9.243  -3.279
  319   3HB   ALA  37          3HB       ALA  37 -10.841  10.686  -2.273
  320    H    LEU  38           H        LEU  38 -12.916  11.458  -1.145
  321    HA   LEU  38           HA       LEU  38 -14.016   9.149   0.034
  322   1HB   LEU  38          2HB       LEU  38 -13.015  11.478   0.983
  323   2HB   LEU  38          1HB       LEU  38 -14.731  11.756   1.218
  324    HG   LEU  38           HG       LEU  38 -13.607  10.829   3.219
  325   1HD1  LEU  38          1HD1      LEU  38 -15.671   9.033   1.952
  326   2HD1  LEU  38          2HD1      LEU  38 -15.990  10.484   2.904
  327   3HD1  LEU  38          3HD1      LEU  38 -15.257   9.072   3.666
  328   1HD2  LEU  38          1HD2      LEU  38 -12.402   8.928   3.226
  329   2HD2  LEU  38          2HD2      LEU  38 -12.227   9.261   1.503
  330   3HD2  LEU  38          3HD2      LEU  38 -13.458   8.129   2.062
  331    H    CYS  39           H        CYS  39 -15.535  12.113  -1.197
  332    HA   CYS  39           HA       CYS  39 -18.183  11.337  -0.533
  333   1HB   CYS  39          2HB       CYS  39 -16.891  13.605  -1.690
  334   2HB   CYS  39          1HB       CYS  39 -18.222  13.133  -2.741
  335    HG   CYS  39           HG       CYS  39 -18.620  13.889   0.253
  336    H    ALA  40           H        ALA  40 -16.132  10.857  -3.329
  337    HA   ALA  40           HA       ALA  40 -18.061  10.069  -5.199
  338   1HB   ALA  40          1HB       ALA  40 -16.214   8.932  -6.354
  339   2HB   ALA  40          2HB       ALA  40 -15.199   9.153  -4.928
  340   3HB   ALA  40          3HB       ALA  40 -15.768  10.556  -5.831
  341    H    LEU  41           H        LEU  41 -16.269   8.188  -2.786
  342    HA   LEU  41           HA       LEU  41 -17.347   5.673  -3.554
  343   1HB   LEU  41          2HB       LEU  41 -16.227   6.417  -0.856
  344   2HB   LEU  41          1HB       LEU  41 -16.334   4.813  -1.558
  345    HG   LEU  41           HG       LEU  41 -14.736   6.841  -3.030
  346   1HD1  LEU  41          1HD1      LEU  41 -12.992   6.958  -1.595
  347   2HD1  LEU  41          2HD1      LEU  41 -13.313   5.369  -0.898
  348   3HD1  LEU  41          3HD1      LEU  41 -14.275   6.761  -0.401
  349   1HD2  LEU  41          1HD2      LEU  41 -13.696   4.153  -2.497
  350   2HD2  LEU  41          2HD2      LEU  41 -13.838   5.038  -4.017
  351   3HD2  LEU  41          3HD2      LEU  41 -15.234   4.185  -3.359
  352    H    VAL  42           H        VAL  42 -18.060   7.828  -0.801
  353    HA   VAL  42           HA       VAL  42 -20.145   6.318   0.287
  354    HB   VAL  42           HB       VAL  42 -19.920   9.328   0.355
  355   1HG1  VAL  42          1HG1      VAL  42 -20.997   8.952   2.623
  356   2HG1  VAL  42          2HG1      VAL  42 -21.349   7.316   2.071
  357   3HG1  VAL  42          3HG1      VAL  42 -22.024   8.702   1.212
  358   1HG2  VAL  42          1HG2      VAL  42 -17.982   7.568   1.175
  359   2HG2  VAL  42          2HG2      VAL  42 -18.903   7.843   2.652
  360   3HG2  VAL  42          3HG2      VAL  42 -18.202   9.208   1.783
  361    H    TYR  43           H        TYR  43 -20.251   9.010  -2.026
  362    HA   TYR  43           HA       TYR  43 -23.010   9.190  -2.326
  363   1HB   TYR  43          2HB       TYR  43 -21.515  10.876  -3.224
  364   2HB   TYR  43          1HB       TYR  43 -20.821   9.712  -4.344
  365    HD1  TYR  43           1HD      TYR  43 -21.855   9.257  -6.434
  366    HD2  TYR  43           2HD      TYR  43 -23.883  11.621  -3.534
  367    HE1  TYR  43           1HE      TYR  43 -23.525   9.890  -8.126
  368    HE2  TYR  43           2HE      TYR  43 -25.557  12.260  -5.216
  369    HH   TYR  43           HH       TYR  43 -26.450  11.477  -7.317
  370    H    ARG  44           H        ARG  44 -20.690   7.039  -3.878
  371    HA   ARG  44           HA       ARG  44 -22.406   5.969  -5.831
  372   1HB   ARG  44          2HB       ARG  44 -19.769   5.675  -5.234
  373   2HB   ARG  44          1HB       ARG  44 -20.406   4.131  -4.680
  374   1HG   ARG  44          2HG       ARG  44 -21.583   4.500  -7.162
  375   2HG   ARG  44          1HG       ARG  44 -19.930   5.085  -7.369
  376   1HD   ARG  44          2HD       ARG  44 -19.022   3.030  -7.060
  377   2HD   ARG  44          1HD       ARG  44 -20.256   2.538  -5.903
  378    HE   ARG  44           HE       ARG  44 -21.302   2.769  -8.546
  379   1HH1  ARG  44          1HH1      ARG  44 -19.475   0.676  -6.433
  380   2HH1  ARG  44          2HH1      ARG  44 -19.916  -0.770  -7.278
  381   1HH2  ARG  44          1HH2      ARG  44 -21.884   0.869  -9.657
  382   2HH2  ARG  44          2HH2      ARG  44 -21.284  -0.660  -9.109
  383    H    LEU  45           H        LEU  45 -21.713   4.959  -2.505
  384    HA   LEU  45           HA       LEU  45 -23.449   2.678  -2.634
  385   1HB   LEU  45          2HB       LEU  45 -21.685   3.934  -0.654
  386   2HB   LEU  45          1HB       LEU  45 -23.121   3.204   0.040
  387    HG   LEU  45           HG       LEU  45 -22.383   1.153  -1.469
  388   1HD1  LEU  45          1HD1      LEU  45 -19.646   1.763  -0.747
  389   2HD1  LEU  45          2HD1      LEU  45 -20.282   2.891  -1.945
  390   3HD1  LEU  45          3HD1      LEU  45 -20.308   1.158  -2.266
  391   1HD2  LEU  45          1HD2      LEU  45 -21.587   0.141   0.458
  392   2HD2  LEU  45          2HD2      LEU  45 -22.577   1.458   1.092
  393   3HD2  LEU  45          3HD2      LEU  45 -20.822   1.621   1.039
  394    H    GLN  46           H        GLN  46 -23.667   5.950  -1.311
  395    HA   GLN  46           HA       GLN  46 -26.577   5.745  -1.369
  396   1HB   GLN  46          2HB       GLN  46 -24.922   6.108   1.072
  397   2HB   GLN  46          1HB       GLN  46 -26.371   7.095   0.934
  398   1HG   GLN  46          2HG       GLN  46 -27.736   5.369   1.317
  399   2HG   GLN  46          1HG       GLN  46 -26.788   4.268   0.316
  400   1HE2  GLN  46          1HE2      GLN  46 -28.010   4.061   3.051
  401   2HE2  GLN  46          2HE2      GLN  46 -26.720   3.515   4.061
  402    HA   PRO  47           HA       PRO  47 -25.016   9.750  -3.033
  403   1HB   PRO  47          2HB       PRO  47 -26.619   9.812  -5.204
  404   2HB   PRO  47          1HB       PRO  47 -25.098   8.912  -5.179
  405   1HG   PRO  47          2HG       PRO  47 -27.897   7.916  -4.813
  406   2HG   PRO  47          1HG       PRO  47 -26.570   7.205  -5.750
  407   1HD   PRO  47          2HD       PRO  47 -27.269   6.339  -3.264
  408   2HD   PRO  47          1HD       PRO  47 -25.615   6.235  -3.898
  409    H    GLY  48           H        GLY  48 -28.316   8.549  -2.704
  410   1HA   GLY  48          2HA       GLY  48 -29.590  11.079  -2.725
  411   2HA   GLY  48          1HA       GLY  48 -30.269   9.589  -2.086
  412    H    LEU  49           H        LEU  49 -27.793   9.420  -0.296
  413    HA   LEU  49           HA       LEU  49 -28.954  10.995   1.862
  414   1HB   LEU  49          2HB       LEU  49 -26.891   8.806   1.786
  415   2HB   LEU  49          1HB       LEU  49 -27.250   9.708   3.245
  416    HG   LEU  49           HG       LEU  49 -28.423   7.558   3.191
  417   1HD1  LEU  49          1HD1      LEU  49 -30.661   8.390   3.691
  418   2HD1  LEU  49          2HD1      LEU  49 -30.265   9.930   2.928
  419   3HD1  LEU  49          3HD1      LEU  49 -29.420   9.430   4.393
  420   1HD2  LEU  49          1HD2      LEU  49 -28.633   7.677   0.617
  421   2HD2  LEU  49          2HD2      LEU  49 -30.116   8.576   0.944
  422   3HD2  LEU  49          3HD2      LEU  49 -29.933   6.930   1.548
  423    H    LEU  50           H        LEU  50 -26.490  11.389  -0.396
  424    HA   LEU  50           HA       LEU  50 -25.400  13.607   1.143
  425   1HB   LEU  50          2HB       LEU  50 -23.652  11.429  -0.001
  426   2HB   LEU  50          1HB       LEU  50 -23.073  12.937   0.682
  427    HG   LEU  50           HG       LEU  50 -24.461  12.057   2.790
  428   1HD1  LEU  50          1HD1      LEU  50 -24.148   9.736   1.031
  429   2HD1  LEU  50          2HD1      LEU  50 -25.245   9.997   2.387
  430   3HD1  LEU  50          3HD1      LEU  50 -23.584   9.484   2.682
  431   1HD2  LEU  50          1HD2      LEU  50 -21.658  11.546   1.900
  432   2HD2  LEU  50          2HD2      LEU  50 -22.227  10.867   3.425
  433   3HD2  LEU  50          3HD2      LEU  50 -22.259  12.611   3.171
  434    H    GLU  51           H        GLU  51 -25.006  15.332  -0.091
  435    HA   GLU  51           HA       GLU  51 -25.154  15.001  -3.005
  436   1HB   GLU  51          2HB       GLU  51 -25.677  17.376  -1.216
  437   2HB   GLU  51          1HB       GLU  51 -25.599  17.495  -2.968
  438   1HG   GLU  51          2HG       GLU  51 -27.431  15.480  -1.793
  439   2HG   GLU  51          1HG       GLU  51 -27.881  17.182  -1.682
  440    HA   PRO  52           HA       PRO  52 -20.638  15.757  -2.210
  441   1HB   PRO  52          2HB       PRO  52 -19.940  14.603  -4.625
  442   2HB   PRO  52          1HB       PRO  52 -20.033  13.745  -3.083
  443   1HG   PRO  52          2HG       PRO  52 -22.049  13.906  -5.284
  444   2HG   PRO  52          1HG       PRO  52 -21.567  12.508  -4.306
  445   1HD   PRO  52          2HD       PRO  52 -23.840  13.816  -3.807
  446   2HD   PRO  52          1HD       PRO  52 -22.836  13.195  -2.480
  447    H    SER  53           H        SER  53 -22.526  16.207  -5.178
  448    HA   SER  53           HA       SER  53 -20.833  17.912  -6.550
  449   1HB   SER  53          2HB       SER  53 -23.143  16.882  -7.215
  450   2HB   SER  53          1HB       SER  53 -23.793  18.393  -6.581
  451    HG   SER  53           HG       SER  53 -22.307  19.465  -8.039
  452    H    GLU  54           H        GLU  54 -23.057  18.630  -3.924
  453    HA   GLU  54           HA       GLU  54 -22.844  21.463  -4.138
  454   1HB   GLU  54          2HB       GLU  54 -24.555  19.843  -2.851
  455   2HB   GLU  54          1HB       GLU  54 -23.489  20.247  -1.511
  456   1HG   GLU  54          2HG       GLU  54 -23.916  22.593  -1.810
  457   2HG   GLU  54          1HG       GLU  54 -24.861  22.272  -3.264
  458    H    LEU  55           H        LEU  55 -21.369  19.098  -1.924
  459    HA   LEU  55           HA       LEU  55 -19.707  21.095  -0.692
  460   1HB   LEU  55          2HB       LEU  55 -19.651  18.088  -0.466
  461   2HB   LEU  55          1HB       LEU  55 -18.741  19.196   0.542
  462    HG   LEU  55           HG       LEU  55 -21.691  19.545   0.456
  463   1HD1  LEU  55          1HD1      LEU  55 -20.328  17.106   1.389
  464   2HD1  LEU  55          2HD1      LEU  55 -21.997  17.353   0.880
  465   3HD1  LEU  55          3HD1      LEU  55 -21.494  17.815   2.506
  466   1HD2  LEU  55          1HD2      LEU  55 -20.359  21.073   1.760
  467   2HD2  LEU  55          2HD2      LEU  55 -19.580  19.731   2.601
  468   3HD2  LEU  55          3HD2      LEU  55 -21.297  20.048   2.847
  469    H    GLN  56           H        GLN  56 -19.480  19.367  -3.562
  470    HA   GLN  56           HA       GLN  56 -16.772  18.689  -3.679
  471   1HB   GLN  56          2HB       GLN  56 -18.426  17.918  -5.316
  472   2HB   GLN  56          1HB       GLN  56 -18.601  19.559  -5.921
  473   1HG   GLN  56          2HG       GLN  56 -15.905  19.140  -6.129
  474   2HG   GLN  56          1HG       GLN  56 -16.573  17.550  -6.501
  475   1HE2  GLN  56          1HE2      GLN  56 -18.644  17.804  -7.956
  476   2HE2  GLN  56          2HE2      GLN  56 -18.404  18.779  -9.361
  477    H    GLY  57           H        GLY  57 -18.393  21.755  -4.247
  478   1HA   GLY  57          2HA       GLY  57 -15.729  22.966  -4.676
  479   2HA   GLY  57          1HA       GLY  57 -17.187  23.557  -5.459
  480    H    LEU  58           H        LEU  58 -18.670  23.064  -2.845
  481    HA   LEU  58           HA       LEU  58 -18.643  25.659  -1.874
  482   1HB   LEU  58          2HB       LEU  58 -19.831  23.123  -1.112
  483   2HB   LEU  58          1HB       LEU  58 -19.439  24.102   0.288
  484    HG   LEU  58           HG       LEU  58 -20.671  25.995  -0.965
  485   1HD1  LEU  58          1HD1      LEU  58 -22.003  25.525  -2.735
  486   2HD1  LEU  58          2HD1      LEU  58 -22.297  23.865  -2.214
  487   3HD1  LEU  58          3HD1      LEU  58 -20.780  24.284  -3.008
  488   1HD2  LEU  58          1HD2      LEU  58 -21.792  25.426   0.916
  489   2HD2  LEU  58          2HD2      LEU  58 -21.743  23.701   0.555
  490   3HD2  LEU  58          3HD2      LEU  58 -22.923  24.736  -0.248
  491    H    GLY  59           H        GLY  59 -16.719  22.881  -0.904
  492   1HA   GLY  59          2HA       GLY  59 -14.598  24.345   0.107
  493   2HA   GLY  59          1HA       GLY  59 -15.672  24.064   1.469
  494    H    ALA  60           H        ALA  60 -12.938  23.100   0.942
  495    HA   ALA  60           HA       ALA  60 -13.127  20.290   0.388
  496   1HB   ALA  60          1HB       ALA  60 -10.713  20.384   1.350
  497   2HB   ALA  60          2HB       ALA  60 -10.940  22.131   1.262
  498   3HB   ALA  60          3HB       ALA  60 -11.063  21.151  -0.199
  499    H    LEU  61           H        LEU  61 -12.303  22.145   3.325
  500    HA   LEU  61           HA       LEU  61 -12.245  19.977   5.082
  501   1HB   LEU  61          2HB       LEU  61 -11.334  22.144   5.678
  502   2HB   LEU  61          1HB       LEU  61 -12.929  22.868   5.607
  503    HG   LEU  61           HG       LEU  61 -12.500  20.618   7.511
  504   1HD1  LEU  61          1HD1      LEU  61 -11.725  22.245   9.218
  505   2HD1  LEU  61          2HD1      LEU  61 -11.497  23.428   7.930
  506   3HD1  LEU  61          3HD1      LEU  61 -10.547  21.941   7.940
  507   1HD2  LEU  61          1HD2      LEU  61 -14.650  21.285   7.731
  508   2HD2  LEU  61          2HD2      LEU  61 -14.319  22.917   7.145
  509   3HD2  LEU  61          3HD2      LEU  61 -13.923  22.481   8.807
  510    H    GLU  62           H        GLU  62 -14.921  22.119   4.181
  511    HA   GLU  62           HA       GLU  62 -16.821  21.037   5.959
  512   1HB   GLU  62          2HB       GLU  62 -16.918  23.218   4.588
  513   2HB   GLU  62          1HB       GLU  62 -17.523  22.210   3.281
  514   1HG   GLU  62          2HG       GLU  62 -19.559  22.154   4.152
  515   2HG   GLU  62          1HG       GLU  62 -18.942  21.699   5.740
  516    H    ALA  63           H        ALA  63 -15.960  20.227   2.627
  517    HA   ALA  63           HA       ALA  63 -18.021  18.362   2.173
  518   1HB   ALA  63          1HB       ALA  63 -15.274  18.349   0.934
  519   2HB   ALA  63          2HB       ALA  63 -16.598  19.391   0.411
  520   3HB   ALA  63          3HB       ALA  63 -16.748  17.639   0.274
  521    H    THR  64           H        THR  64 -14.719  17.974   3.401
  522    HA   THR  64           HA       THR  64 -14.794  15.154   3.580
  523    HB   THR  64           HB       THR  64 -13.126  16.713   5.492
  524    HG1  THR  64           1HG      THR  64 -12.119  17.796   4.009
  525   1HG2  THR  64          1HG2      THR  64 -11.764  14.958   3.649
  526   2HG2  THR  64          2HG2      THR  64 -13.058  14.130   4.514
  527   3HG2  THR  64          3HG2      THR  64 -11.785  14.954   5.412
  528    H    ALA  65           H        ALA  65 -15.271  17.681   6.042
  529    HA   ALA  65           HA       ALA  65 -15.815  15.959   8.186
  530   1HB   ALA  65          1HB       ALA  65 -15.382  18.543   8.089
  531   2HB   ALA  65          2HB       ALA  65 -16.339  17.840   9.392
  532   3HB   ALA  65          3HB       ALA  65 -17.143  18.622   8.032
  533    H    TRP  66           H        TRP  66 -17.991  17.494   5.841
  534    HA   TRP  66           HA       TRP  66 -20.390  16.557   7.010
  535   1HB   TRP  66          2HB       TRP  66 -19.999  18.420   5.226
  536   2HB   TRP  66          1HB       TRP  66 -20.131  17.097   4.069
  537    HD1  TRP  66           HD       TRP  66 -22.214  19.056   6.622
  538    HE1  TRP  66           1HE      TRP  66 -24.707  18.641   6.135
  539    HE3  TRP  66           3HE      TRP  66 -21.751  15.443   3.034
  540    HZ2  TRP  66           2HZ      TRP  66 -26.270  17.000   4.452
  541    HZ3  TRP  66           3HZ      TRP  66 -23.795  14.502   2.036
  542    HH2  TRP  66           HH       TRP  66 -26.006  15.266   2.732
  543    H    ALA  67           H        ALA  67 -18.304  15.282   4.456
  544    HA   ALA  67           HA       ALA  67 -19.987  13.091   3.793
  545   1HB   ALA  67          1HB       ALA  67 -17.027  13.077   3.347
  546   2HB   ALA  67          2HB       ALA  67 -18.074  14.159   2.428
  547   3HB   ALA  67          3HB       ALA  67 -18.312  12.413   2.337
  548    H    LEU  68           H        LEU  68 -17.235  13.483   5.977
  549    HA   LEU  68           HA       LEU  68 -16.930  10.759   6.632
  550   1HB   LEU  68          2HB       LEU  68 -15.910  13.320   7.583
  551   2HB   LEU  68          1HB       LEU  68 -16.103  12.151   8.875
  552    HG   LEU  68           HG       LEU  68 -14.728  10.542   7.532
  553   1HD1  LEU  68          1HD1      LEU  68 -15.006  11.403   5.325
  554   2HD1  LEU  68          2HD1      LEU  68 -13.304  11.568   5.754
  555   3HD1  LEU  68          3HD1      LEU  68 -14.364  12.977   5.796
  556   1HD2  LEU  68          1HD2      LEU  68 -12.594  12.110   7.793
  557   2HD2  LEU  68          2HD2      LEU  68 -13.439  11.424   9.181
  558   3HD2  LEU  68          3HD2      LEU  68 -13.755  13.089   8.691
  559    H    LYS  69           H        LYS  69 -18.746  13.365   8.236
  560    HA   LYS  69           HA       LYS  69 -19.645  11.806  10.405
  561   1HB   LYS  69          2HB       LYS  69 -19.687  14.400   9.990
  562   2HB   LYS  69          1HB       LYS  69 -21.283  14.067   9.333
  563   1HG   LYS  69          2HG       LYS  69 -21.496  12.743  11.641
  564   2HG   LYS  69          1HG       LYS  69 -20.316  13.964  12.120
  565   1HD   LYS  69          2HD       LYS  69 -22.177  15.178  12.545
  566   2HD   LYS  69          1HD       LYS  69 -22.077  15.519  10.816
  567   1HE   LYS  69          2HE       LYS  69 -23.537  13.078  11.673
  568   2HE   LYS  69          1HE       LYS  69 -24.307  14.640  11.956
  569   1HZ   LYS  69          1HZ       LYS  69 -23.526  14.932   9.436
  570   2HZ   LYS  69          2HZ       LYS  69 -25.039  14.310   9.869
  571   3HZ   LYS  69          3HZ       LYS  69 -23.780  13.259   9.456
  572    H    VAL  70           H        VAL  70 -21.228  12.660   7.333
  573    HA   VAL  70           HA       VAL  70 -23.588  11.171   7.866
  574    HB   VAL  70           HB       VAL  70 -22.506  11.956   5.155
  575   1HG1  VAL  70          1HG1      VAL  70 -25.185  11.068   6.158
  576   2HG1  VAL  70          2HG1      VAL  70 -24.260  10.472   4.780
  577   3HG1  VAL  70          3HG1      VAL  70 -25.038  12.053   4.702
  578   1HG2  VAL  70          1HG2      VAL  70 -24.588  13.616   6.396
  579   2HG2  VAL  70          2HG2      VAL  70 -23.178  14.084   5.447
  580   3HG2  VAL  70          3HG2      VAL  70 -23.003  13.712   7.163
  581    H    ALA  71           H        ALA  71 -20.630  10.451   6.042
  582    HA   ALA  71           HA       ALA  71 -21.377   7.997   4.964
  583   1HB   ALA  71          1HB       ALA  71 -19.327   9.117   4.310
  584   2HB   ALA  71          2HB       ALA  71 -18.969   7.485   4.876
  585   3HB   ALA  71          3HB       ALA  71 -18.652   8.869   5.921
  586    H    GLU  72           H        GLU  72 -19.890   8.729   8.097
  587    HA   GLU  72           HA       GLU  72 -19.812   6.025   8.967
  588   1HB   GLU  72          2HB       GLU  72 -19.179   6.892  11.114
  589   2HB   GLU  72          1HB       GLU  72 -18.363   7.841   9.881
  590   1HG   GLU  72          2HG       GLU  72 -19.814   9.678  10.204
  591   2HG   GLU  72          1HG       GLU  72 -20.921   8.719  11.184
  592    H    ASN  73           H        ASN  73 -22.120   8.656   9.297
  593    HA   ASN  73           HA       ASN  73 -23.795   7.363  11.184
  594   1HB   ASN  73          2HB       ASN  73 -23.947   9.779   9.482
  595   2HB   ASN  73          1HB       ASN  73 -25.486   9.094   9.995
  596   1HD2  ASN  73          1HD2      ASN  73 -26.107   9.259  12.095
  597   2HD2  ASN  73          2HD2      ASN  73 -25.233  10.157  13.286
  598    H    GLU  74           H        GLU  74 -23.839   7.577   7.655
  599    HA   GLU  74           HA       GLU  74 -26.272   6.052   7.439
  600   1HB   GLU  74          2HB       GLU  74 -24.739   7.731   5.741
  601   2HB   GLU  74          1HB       GLU  74 -24.865   6.164   4.955
  602   1HG   GLU  74          2HG       GLU  74 -26.654   7.719   4.306
  603   2HG   GLU  74          1HG       GLU  74 -27.261   6.245   5.057
  604    H    LEU  75           H        LEU  75 -22.824   5.443   6.874
  605    HA   LEU  75           HA       LEU  75 -23.387   2.680   6.160
  606   1HB   LEU  75          2HB       LEU  75 -21.501   4.452   5.308
  607   2HB   LEU  75          1HB       LEU  75 -20.584   3.499   6.459
  608    HG   LEU  75           HG       LEU  75 -22.204   1.982   4.496
  609   1HD1  LEU  75          1HD1      LEU  75 -20.043   3.860   3.739
  610   2HD1  LEU  75          2HD1      LEU  75 -21.431   3.290   2.813
  611   3HD1  LEU  75          3HD1      LEU  75 -20.015   2.256   3.008
  612   1HD2  LEU  75          1HD2      LEU  75 -20.278   0.510   4.561
  613   2HD2  LEU  75          2HD2      LEU  75 -20.806   0.894   6.198
  614   3HD2  LEU  75          3HD2      LEU  75 -19.383   1.686   5.522
  615    H    GLY  76           H        GLY  76 -21.704   4.460   8.733
  616   1HA   GLY  76          2HA       GLY  76 -21.748   3.689  10.999
  617   2HA   GLY  76          1HA       GLY  76 -21.952   2.052  10.401
  618    H    ILE  77           H        ILE  77 -19.579   4.125   8.948
  619    HA   ILE  77           HA       ILE  77 -17.473   2.351   9.905
  620    HB   ILE  77           HB       ILE  77 -17.252   4.618   7.922
  621   1HG1  ILE  77          2HG1      ILE  77 -18.853   2.901   7.164
  622   2HG1  ILE  77          1HG1      ILE  77 -17.393   2.911   6.180
  623   1HG2  ILE  77          1HG2      ILE  77 -15.253   3.310   9.235
  624   2HG2  ILE  77          2HG2      ILE  77 -15.091   4.084   7.659
  625   3HG2  ILE  77          3HG2      ILE  77 -15.404   2.353   7.762
  626   1HD1  ILE  77          1HD1      ILE  77 -17.548   0.687   6.477
  627   2HD1  ILE  77          2HD1      ILE  77 -18.454   0.840   7.981
  628   3HD1  ILE  77          3HD1      ILE  77 -16.704   1.055   7.982
  629    H    THR  78           H        THR  78 -16.139   2.858  11.509
  630    HA   THR  78           HA       THR  78 -16.367   5.350  12.882
  631    HB   THR  78           HB       THR  78 -14.209   3.293  13.319
  632    HG1  THR  78           1HG      THR  78 -16.884   3.247  14.260
  633   1HG2  THR  78          1HG2      THR  78 -13.721   4.478  15.112
  634   2HG2  THR  78          2HG2      THR  78 -15.360   4.233  15.715
  635   3HG2  THR  78          3HG2      THR  78 -14.988   5.638  14.715
  636    HA   PRO  79           HA       PRO  79 -13.475   7.644  10.351
  637   1HB   PRO  79          2HB       PRO  79 -13.279   9.284  12.824
  638   2HB   PRO  79          1HB       PRO  79 -13.621   9.785  11.165
  639   1HG   PRO  79          2HG       PRO  79 -15.564   9.686  12.982
  640   2HG   PRO  79          1HG       PRO  79 -15.857   9.190  11.305
  641   1HD   PRO  79          2HD       PRO  79 -15.462   7.507  13.741
  642   2HD   PRO  79          1HD       PRO  79 -16.544   7.253  12.357
  643    H    VAL  80           H        VAL  80 -11.288   7.692  10.134
  644    HA   VAL  80           HA       VAL  80  -9.654   6.941  12.462
  645    HB   VAL  80           HB       VAL  80  -9.192   5.861   9.683
  646   1HG1  VAL  80          1HG1      VAL  80  -7.833   4.206  11.217
  647   2HG1  VAL  80          2HG1      VAL  80  -7.817   5.593  12.309
  648   3HG1  VAL  80          3HG1      VAL  80  -7.139   5.739  10.687
  649   1HG2  VAL  80          1HG2      VAL  80 -11.309   5.055  10.859
  650   2HG2  VAL  80          2HG2      VAL  80 -10.229   4.276  12.014
  651   3HG2  VAL  80          3HG2      VAL  80 -10.173   3.822  10.312
  652    H    VAL  81           H        VAL  81 -10.239   9.318  10.349
  653    HA   VAL  81           HA       VAL  81  -7.542  10.373  10.595
  654    HB   VAL  81           HB       VAL  81  -7.454  11.060   8.214
  655   1HG1  VAL  81          1HG1      VAL  81  -6.448   8.899   9.210
  656   2HG1  VAL  81          2HG1      VAL  81  -6.518   9.073   7.457
  657   3HG1  VAL  81          3HG1      VAL  81  -7.710   8.078   8.292
  658   1HG2  VAL  81          1HG2      VAL  81  -9.745  11.015   7.579
  659   2HG2  VAL  81          2HG2      VAL  81  -9.897   9.312   8.011
  660   3HG2  VAL  81          3HG2      VAL  81  -8.922   9.786   6.620
  661    H    SER  82           H        SER  82  -7.425  12.647  10.401
  662    HA   SER  82           HA       SER  82  -9.939  13.974  10.985
  663   1HB   SER  82          2HB       SER  82  -7.058  14.603  11.328
  664   2HB   SER  82          1HB       SER  82  -8.141  15.975  11.097
  665    HG   SER  82           HG       SER  82  -7.867  15.349  13.317
  666    H    ALA  83           H        ALA  83 -10.781  15.723   9.836
  667    HA   ALA  83           HA       ALA  83 -10.683  15.570   7.052
  668   1HB   ALA  83          1HB       ALA  83 -12.604  16.591   7.674
  669   2HB   ALA  83          2HB       ALA  83 -11.651  18.046   7.379
  670   3HB   ALA  83          3HB       ALA  83 -11.849  17.438   9.025
  671    H    GLN  84           H        GLN  84  -9.052  17.805   9.271
  672    HA   GLN  84           HA       GLN  84  -7.897  19.485   7.363
  673   1HB   GLN  84          2HB       GLN  84  -7.991  19.786   9.892
  674   2HB   GLN  84          1HB       GLN  84  -6.588  18.729   9.970
  675   1HG   GLN  84          2HG       GLN  84  -5.225  20.401   9.489
  676   2HG   GLN  84          1HG       GLN  84  -6.147  20.804   8.042
  677   1HE2  GLN  84          1HE2      GLN  84  -4.911  22.208  10.576
  678   2HE2  GLN  84          2HE2      GLN  84  -6.114  23.387  10.953
  679    H    ALA  85           H        ALA  85  -6.828  16.388   8.650
  680    HA   ALA  85           HA       ALA  85  -4.238  16.437   7.493
  681   1HB   ALA  85          1HB       ALA  85  -5.431  14.859   9.320
  682   2HB   ALA  85          2HB       ALA  85  -3.950  14.423   8.467
  683   3HB   ALA  85          3HB       ALA  85  -5.505  13.809   7.905
  684    H    VAL  86           H        VAL  86  -7.320  15.016   6.451
  685    HA   VAL  86           HA       VAL  86  -6.335  13.811   4.100
  686    HB   VAL  86           HB       VAL  86  -9.150  14.805   4.537
  687   1HG1  VAL  86          1HG1      VAL  86  -8.104  12.506   2.889
  688   2HG1  VAL  86          2HG1      VAL  86  -8.569  14.082   2.249
  689   3HG1  VAL  86          3HG1      VAL  86  -9.780  13.047   3.006
  690   1HG2  VAL  86          1HG2      VAL  86  -7.663  12.567   5.764
  691   2HG2  VAL  86          2HG2      VAL  86  -9.289  12.204   5.185
  692   3HG2  VAL  86          3HG2      VAL  86  -9.041  13.483   6.372
  693    H    VAL  87           H        VAL  87  -7.985  16.923   4.625
  694    HA   VAL  87           HA       VAL  87  -7.996  17.752   1.946
  695    HB   VAL  87           HB       VAL  87  -9.355  18.832   3.691
  696   1HG1  VAL  87          1HG1      VAL  87  -7.595  18.799   5.448
  697   2HG1  VAL  87          2HG1      VAL  87  -8.416  20.351   5.288
  698   3HG1  VAL  87          3HG1      VAL  87  -6.799  20.133   4.615
  699   1HG2  VAL  87          1HG2      VAL  87  -9.278  20.996   2.795
  700   2HG2  VAL  87          2HG2      VAL  87  -8.636  19.967   1.515
  701   3HG2  VAL  87          3HG2      VAL  87  -7.538  20.914   2.518
  702    H    ALA  88           H        ALA  88  -5.557  18.033   4.462
  703    HA   ALA  88           HA       ALA  88  -3.839  19.662   2.778
  704   1HB   ALA  88          1HB       ALA  88  -4.165  19.610   5.447
  705   2HB   ALA  88          2HB       ALA  88  -2.707  20.200   4.651
  706   3HB   ALA  88          3HB       ALA  88  -2.761  18.554   5.286
  707    H    GLY  89           H        GLY  89  -4.414  16.353   3.285
  708   1HA   GLY  89          2HA       GLY  89  -3.348  14.467   2.533
  709   2HA   GLY  89          1HA       GLY  89  -2.488  15.524   1.423
  710    H    SER  90           H        SER  90  -2.347  15.746   4.930
  711    HA   SER  90           HA       SER  90   0.516  15.089   4.772
  712   1HB   SER  90          2HB       SER  90  -0.955  16.664   6.901
  713   2HB   SER  90          1HB       SER  90   0.788  16.403   6.818
  714    HG   SER  90           HG       SER  90   0.659  18.259   5.789
  715    H    ASP  91           H        ASP  91  -1.614  13.109   4.944
  716    HA   ASP  91           HA       ASP  91  -0.624  11.687   7.278
  717   1HB   ASP  91          2HB       ASP  91  -3.347  12.769   7.056
  718   2HB   ASP  91          1HB       ASP  91  -3.288  11.055   7.455
  719    HA   PRO  92           HA       PRO  92  -1.123   9.179   3.346
  720   1HB   PRO  92          2HB       PRO  92   1.299   7.921   3.665
  721   2HB   PRO  92          1HB       PRO  92   1.065   9.399   2.729
  722   1HG   PRO  92          2HG       PRO  92   2.059   9.066   5.531
  723   2HG   PRO  92          1HG       PRO  92   2.643  10.152   4.256
  724   1HD   PRO  92          2HD       PRO  92   1.074  11.033   6.250
  725   2HD   PRO  92          1HD       PRO  92   0.934  11.679   4.600
  726    H    LEU  93           H        LEU  93   0.272   8.229   6.480
  727    HA   LEU  93           HA       LEU  93  -0.314   5.499   6.324
  728   1HB   LEU  93          2HB       LEU  93   1.030   7.001   8.079
  729   2HB   LEU  93          1HB       LEU  93  -0.474   6.842   8.967
  730    HG   LEU  93           HG       LEU  93  -0.274   4.405   8.912
  731   1HD1  LEU  93          1HD1      LEU  93   0.837   3.960   6.889
  732   2HD1  LEU  93          2HD1      LEU  93   1.962   3.475   8.156
  733   3HD1  LEU  93          3HD1      LEU  93   2.195   5.004   7.309
  734   1HD2  LEU  93          1HD2      LEU  93   1.064   6.088  10.524
  735   2HD2  LEU  93          2HD2      LEU  93   2.415   5.175   9.851
  736   3HD2  LEU  93          3HD2      LEU  93   1.112   4.334  10.692
  737    H    GLY  94           H        GLY  94  -2.209   8.193   7.639
  738   1HA   GLY  94          2HA       GLY  94  -4.358   6.634   8.605
  739   2HA   GLY  94          1HA       GLY  94  -4.426   8.347   8.221
  740    H    LEU  95           H        LEU  95  -3.644   7.959   5.439
  741    HA   LEU  95           HA       LEU  95  -6.209   7.645   4.310
  742   1HB   LEU  95          2HB       LEU  95  -3.675   8.534   3.464
  743   2HB   LEU  95          1HB       LEU  95  -4.123   7.243   2.366
  744    HG   LEU  95           HG       LEU  95  -6.172   9.322   2.918
  745   1HD1  LEU  95          1HD1      LEU  95  -4.604  10.923   2.534
  746   2HD1  LEU  95          2HD1      LEU  95  -4.996  10.515   0.864
  747   3HD1  LEU  95          3HD1      LEU  95  -3.555   9.837   1.622
  748   1HD2  LEU  95          1HD2      LEU  95  -6.857   8.848   0.716
  749   2HD2  LEU  95          2HD2      LEU  95  -6.434   7.288   1.421
  750   3HD2  LEU  95          3HD2      LEU  95  -5.318   8.087   0.314
  751    H    ILE  96           H        ILE  96  -3.396   5.496   4.443
  752    HA   ILE  96           HA       ILE  96  -4.479   3.441   2.840
  753    HB   ILE  96           HB       ILE  96  -2.455   3.118   5.059
  754   1HG1  ILE  96          2HG1      ILE  96  -1.730   4.881   3.543
  755   2HG1  ILE  96          1HG1      ILE  96  -0.756   3.438   3.285
  756   1HG2  ILE  96          1HG2      ILE  96  -2.281   1.494   2.617
  757   2HG2  ILE  96          2HG2      ILE  96  -3.686   1.172   3.632
  758   3HG2  ILE  96          3HG2      ILE  96  -2.062   1.037   4.305
  759   1HD1  ILE  96          1HD1      ILE  96  -2.957   3.294   1.525
  760   2HD1  ILE  96          2HD1      ILE  96  -1.252   3.518   1.138
  761   3HD1  ILE  96          3HD1      ILE  96  -2.285   4.919   1.411
  762    H    ALA  97           H        ALA  97  -4.458   3.952   6.351
  763    HA   ALA  97           HA       ALA  97  -5.738   1.532   7.035
  764   1HB   ALA  97          1HB       ALA  97  -5.920   4.084   8.616
  765   2HB   ALA  97          2HB       ALA  97  -4.466   3.085   8.576
  766   3HB   ALA  97          3HB       ALA  97  -5.974   2.423   9.208
  767    H    TYR  98           H        TYR  98  -6.971   4.751   6.272
  768    HA   TYR  98           HA       TYR  98  -9.681   4.190   6.911
  769   1HB   TYR  98          2HB       TYR  98  -8.508   6.479   6.610
  770   2HB   TYR  98          1HB       TYR  98  -8.831   6.252   4.893
  771    HD1  TYR  98           1HD      TYR  98 -11.006   6.593   3.999
  772    HD2  TYR  98           2HD      TYR  98 -10.414   6.627   8.211
  773    HE1  TYR  98           1HE      TYR  98 -13.276   7.487   4.305
  774    HE2  TYR  98           2HE      TYR  98 -12.681   7.522   8.529
  775    HH   TYR  98           HH       TYR  98 -14.414   8.973   6.315
  776    H    LEU  99           H        LEU  99  -7.869   4.219   3.857
  777    HA   LEU  99           HA       LEU  99 -10.000   3.605   2.153
  778   1HB   LEU  99          2HB       LEU  99  -7.350   4.139   1.824
  779   2HB   LEU  99          1HB       LEU  99  -7.395   2.428   1.447
  780    HG   LEU  99           HG       LEU  99  -9.534   3.802   0.083
  781   1HD1  LEU  99          1HD1      LEU  99  -8.226   5.188  -1.406
  782   2HD1  LEU  99          2HD1      LEU  99  -6.754   4.801  -0.516
  783   3HD1  LEU  99          3HD1      LEU  99  -8.030   5.741   0.257
  784   1HD2  LEU  99          1HD2      LEU  99  -8.961   2.402  -1.592
  785   2HD2  LEU  99          2HD2      LEU  99  -8.069   1.587  -0.308
  786   3HD2  LEU  99          3HD2      LEU  99  -7.233   2.694  -1.396
  787    H    SER 100           H        SER 100  -8.003   1.566   4.178
  788    HA   SER 100           HA       SER 100  -8.710  -0.918   3.027
  789   1HB   SER 100          2HB       SER 100  -6.911  -0.146   4.914
  790   2HB   SER 100          1HB       SER 100  -8.147  -0.891   5.927
  791    HG   SER 100           HG       SER 100  -7.988  -2.700   4.355
  792    H    HIS 101           H        HIS 101 -10.058   0.937   5.731
  793    HA   HIS 101           HA       HIS 101 -11.969  -0.959   6.538
  794   1HB   HIS 101          2HB       HIS 101 -11.150   1.358   7.582
  795   2HB   HIS 101          1HB       HIS 101 -12.610   1.938   6.786
  796    HD1  HIS 101           1HD      HIS 101 -14.741   0.088   7.382
  797    HD2  HIS 101           2HD      HIS 101 -11.701   0.735  10.140
  798    HE1  HIS 101           1HE      HIS 101 -15.685  -0.621   9.604
  799    HE2  HIS 101           2HE      HIS 101 -13.804  -0.289  11.245
  800    H    PHE 102           H        PHE 102 -12.235   1.813   4.328
  801    HA   PHE 102           HA       PHE 102 -14.957   1.471   3.712
  802   1HB   PHE 102          2HB       PHE 102 -12.730   3.077   2.740
  803   2HB   PHE 102          1HB       PHE 102 -13.810   2.592   1.438
  804    HD1  PHE 102           1HD      PHE 102 -14.082   3.868   4.937
  805    HD2  PHE 102           2HD      PHE 102 -15.499   4.048   0.929
  806    HE1  PHE 102           1HE      PHE 102 -15.645   5.658   5.574
  807    HE2  PHE 102           2HE      PHE 102 -17.064   5.839   1.558
  808    HZ   PHE 102           HZ       PHE 102 -17.138   6.647   3.884
  809    H    HIS 103           H        HIS 103 -12.046   0.027   2.397
  810    HA   HIS 103           HA       HIS 103 -13.206  -1.096   0.077
  811   1HB   HIS 103          2HB       HIS 103 -10.749  -0.819   0.484
  812   2HB   HIS 103          1HB       HIS 103 -10.836  -2.152   1.630
  813    HD1  HIS 103           1HD      HIS 103  -9.624  -1.686  -1.536
  814    HD2  HIS 103           2HD      HIS 103 -12.369  -4.404  -0.009
  815    HE1  HIS 103           1HE      HIS 103  -9.639  -3.609  -3.158
  816    HE2  HIS 103           2HE      HIS 103 -11.367  -5.205  -2.254
  817    H    SER 104           H        SER 104 -12.589  -2.439   3.309
  818    HA   SER 104           HA       SER 104 -13.642  -5.001   2.766
  819   1HB   SER 104          2HB       SER 104 -12.196  -4.072   4.786
  820   2HB   SER 104          1HB       SER 104 -13.783  -3.868   5.527
  821    HG   SER 104           HG       SER 104 -12.965  -6.300   4.333
  822    H    ALA 105           H        ALA 105 -15.083  -2.063   4.111
  823    HA   ALA 105           HA       ALA 105 -17.596  -3.190   4.737
  824   1HB   ALA 105          1HB       ALA 105 -17.004  -0.312   4.063
  825   2HB   ALA 105          2HB       ALA 105 -16.739  -1.044   5.646
  826   3HB   ALA 105          3HB       ALA 105 -18.372  -0.929   4.990
  827    H    PHE 106           H        PHE 106 -16.353  -1.565   1.853
  828    HA   PHE 106           HA       PHE 106 -18.802  -1.454   0.454
  829   1HB   PHE 106          2HB       PHE 106 -15.916  -1.268  -0.331
  830   2HB   PHE 106          1HB       PHE 106 -17.151  -1.380  -1.580
  831    HD1  PHE 106           1HD      PHE 106 -17.437   0.386   1.664
  832    HD2  PHE 106           2HD      PHE 106 -17.000   0.738  -2.553
  833    HE1  PHE 106           1HE      PHE 106 -17.825   2.808   1.832
  834    HE2  PHE 106           2HE      PHE 106 -17.388   3.163  -2.394
  835    HZ   PHE 106           HZ       PHE 106 -17.800   4.201  -0.199
  836    H    LYS 107           H        LYS 107 -16.188  -3.839   0.510
  837    HA   LYS 107           HA       LYS 107 -17.189  -5.508  -1.521
  838   1HB   LYS 107          2HB       LYS 107 -15.119  -5.644   0.541
  839   2HB   LYS 107          1HB       LYS 107 -15.840  -7.209   0.187
  840   1HG   LYS 107          2HG       LYS 107 -15.095  -5.582  -2.153
  841   2HG   LYS 107          1HG       LYS 107 -13.761  -6.176  -1.161
  842   1HD   LYS 107          2HD       LYS 107 -15.961  -8.010  -2.047
  843   2HD   LYS 107          1HD       LYS 107 -14.602  -7.643  -3.111
  844   1HE   LYS 107          2HE       LYS 107 -14.302  -8.696  -0.304
  845   2HE   LYS 107          1HE       LYS 107 -14.338  -9.722  -1.737
  846   1HZ   LYS 107          1HZ       LYS 107 -12.075  -9.259  -1.088
  847   2HZ   LYS 107          2HZ       LYS 107 -12.350  -7.592  -1.163
  848   3HZ   LYS 107          3HZ       LYS 107 -12.398  -8.520  -2.577
  849    H    SER 108           H        SER 108 -17.635  -5.569   1.998
  850    HA   SER 108           HA       SER 108 -19.191  -7.921   2.077
  851   1HB   SER 108          2HB       SER 108 -18.392  -5.822   3.935
  852   2HB   SER 108          1HB       SER 108 -20.035  -6.388   4.241
  853    HG   SER 108           HG       SER 108 -17.832  -8.136   3.904
  854    H    MET 109           H        MET 109 -20.161  -4.491   2.133
  855    HA   MET 109           HA       MET 109 -22.940  -5.021   2.069
  856   1HB   MET 109          2HB       MET 109 -21.622  -2.841   2.683
  857   2HB   MET 109          1HB       MET 109 -21.774  -2.492   0.966
  858   1HG   MET 109          2HG       MET 109 -24.328  -3.239   1.736
  859   2HG   MET 109          1HG       MET 109 -23.729  -2.273   3.083
  860   1HE   MET 109          1HE       MET 109 -23.449   0.175   3.117
  861   2HE   MET 109          2HE       MET 109 -25.179  -0.117   2.938
  862   3HE   MET 109          3HE       MET 109 -24.401   1.168   2.012
  Start of MODEL   12
    1   1H    MET  -8          1HT       MET  -8   8.389 -11.734  11.124
    2   2H    MET  -8          2HT       MET  -8   7.080 -11.649  10.018
    3   3H    MET  -8          3HT       MET  -8   8.415 -12.676   9.694
    4    HA   MET  -8           HA       MET  -8   7.888 -13.985  11.616
    5   1HB   MET  -8          2HB       MET  -8   5.795 -11.856  11.852
    6   2HB   MET  -8          1HB       MET  -8   5.449 -13.469  12.459
    7   1HG   MET  -8          2HG       MET  -8   8.032 -12.549  13.354
    8   2HG   MET  -8          1HG       MET  -8   6.758 -11.413  13.790
    9   1HE   MET  -8          1HE       MET  -8   7.525 -15.139  13.504
   10   2HE   MET  -8          2HE       MET  -8   5.771 -15.326  13.537
   11   3HE   MET  -8          3HE       MET  -8   6.742 -15.873  14.904
   12    H    GLY  -7           H        GLY  -7   7.558 -15.765  10.442
   13   1HA   GLY  -7          2HA       GLY  -7   6.093 -17.358   9.490
   14   2HA   GLY  -7          1HA       GLY  -7   5.001 -16.053   9.048
   15    H    HIS  -6           H        HIS  -6   5.000 -17.308   6.993
   16    HA   HIS  -6           HA       HIS  -6   5.539 -17.487   4.791
   17   1HB   HIS  -6          2HB       HIS  -6   7.000 -14.962   5.528
   18   2HB   HIS  -6          1HB       HIS  -6   7.087 -15.622   3.899
   19    HD1  HIS  -6           1HD      HIS  -6   5.410 -13.078   5.509
   20    HD2  HIS  -6           2HD      HIS  -6   4.085 -16.233   3.152
   21    HE1  HIS  -6           1HE      HIS  -6   3.152 -12.376   4.655
   22    HE2  HIS  -6           2HE      HIS  -6   2.409 -14.264   3.159
   23    H    HIS  -5           H        HIS  -5   7.199 -18.194   3.323
   24    HA   HIS  -5           HA       HIS  -5   9.768 -18.859   4.577
   25   1HB   HIS  -5          2HB       HIS  -5   7.923 -20.790   3.165
   26   2HB   HIS  -5          1HB       HIS  -5   9.617 -21.134   3.497
   27    HD1  HIS  -5           1HD      HIS  -5   7.110 -22.696   4.691
   28    HD2  HIS  -5           2HD      HIS  -5   9.389 -19.823   6.646
   29    HE1  HIS  -5           1HE      HIS  -5   6.797 -23.145   7.147
   30    HE2  HIS  -5           2HE      HIS  -5   8.256 -21.450   8.307
   31    H    HIS  -4           H        HIS  -4   7.956 -19.138   1.516
   32    HA   HIS  -4           HA       HIS  -4  10.379 -18.208   0.117
   33   1HB   HIS  -4          2HB       HIS  -4   8.207 -20.044  -0.914
   34   2HB   HIS  -4          1HB       HIS  -4   9.581 -19.466  -1.852
   35    HD1  HIS  -4           1HD      HIS  -4   8.595 -22.420  -0.387
   36    HD2  HIS  -4           2HD      HIS  -4  12.081 -20.182  -0.062
   37    HE1  HIS  -4           1HE      HIS  -4  10.354 -24.028   0.420
   38    HE2  HIS  -4           2HE      HIS  -4  12.434 -22.631   0.690
   39    H    HIS  -3           H        HIS  -3  10.078 -16.102  -0.269
   40    HA   HIS  -3           HA       HIS  -3   7.959 -15.290  -2.024
   41   1HB   HIS  -3          2HB       HIS  -3   7.670 -14.902   0.832
   42   2HB   HIS  -3          1HB       HIS  -3   7.693 -13.357  -0.010
   43    HD1  HIS  -3           1HD      HIS  -3   5.393 -15.791   1.099
   44    HD2  HIS  -3           2HD      HIS  -3   5.765 -13.549  -2.379
   45    HE1  HIS  -3           1HE      HIS  -3   3.114 -15.815   0.037
   46    HE2  HIS  -3           2HE      HIS  -3   3.341 -14.374  -2.018
   47    H    HIS  -2           H        HIS  -2   8.472 -13.467  -3.164
   48    HA   HIS  -2           HA       HIS  -2  11.075 -12.247  -2.526
   49   1HB   HIS  -2          2HB       HIS  -2   9.716 -12.258  -5.223
   50   2HB   HIS  -2          1HB       HIS  -2  11.388 -11.837  -4.862
   51    HD1  HIS  -2           1HD      HIS  -2  10.268 -14.150  -6.828
   52    HD2  HIS  -2           2HD      HIS  -2  11.974 -14.628  -3.069
   53    HE1  HIS  -2           1HE      HIS  -2  11.153 -16.504  -6.785
   54    HE2  HIS  -2           2HE      HIS  -2  12.261 -16.740  -4.536
   55    H    HIS  -1           H        HIS  -1  11.322  -9.959  -3.237
   56    HA   HIS  -1           HA       HIS  -1   9.141  -8.399  -2.202
   57   1HB   HIS  -1          2HB       HIS  -1  11.962  -7.938  -2.929
   58   2HB   HIS  -1          1HB       HIS  -1  10.901  -6.554  -3.169
   59    HD1  HIS  -1           1HD      HIS  -1  10.014  -8.770  -0.354
   60    HD2  HIS  -1           2HD      HIS  -1  12.276  -5.340  -0.971
   61    HE1  HIS  -1           1HE      HIS  -1  10.437  -7.824   1.936
   62    HE2  HIS  -1           2HE      HIS  -1  11.880  -5.797   1.545
   63    H    MET   0           H        MET   0   7.476  -7.719  -3.363
   64    HA   MET   0           HA       MET   0   7.649  -6.311  -5.758
   65   1HB   MET   0          2HB       MET   0   8.108  -8.932  -6.309
   66   2HB   MET   0          1HB       MET   0   6.362  -8.861  -6.501
   67   1HG   MET   0          2HG       MET   0   6.484  -7.380  -8.269
   68   2HG   MET   0          1HG       MET   0   8.099  -6.830  -7.831
   69   1HE   MET   0          1HE       MET   0   5.954  -9.660  -9.452
   70   2HE   MET   0          2HE       MET   0   7.010  -9.972 -10.829
   71   3HE   MET   0          3HE       MET   0   6.379  -8.349 -10.552
   72    H    GLY   1           H        GLY   1   5.729  -8.405  -3.692
   73   1HA   GLY   1          2HA       GLY   1   3.242  -7.175  -4.571
   74   2HA   GLY   1          1HA       GLY   1   3.405  -8.476  -3.402
   75    H    SER   2           H        SER   2   5.406  -5.680  -3.012
   76    HA   SER   2           HA       SER   2   3.789  -4.912  -0.682
   77   1HB   SER   2          2HB       SER   2   6.710  -4.394  -1.289
   78   2HB   SER   2          1HB       SER   2   5.864  -3.831   0.152
   79    HG   SER   2           HG       SER   2   6.053  -6.560  -0.600
   80    H    ALA   3           H        ALA   3   5.499  -3.622  -3.491
   81    HA   ALA   3           HA       ALA   3   4.461  -0.948  -2.994
   82   1HB   ALA   3          1HB       ALA   3   6.539  -2.124  -4.732
   83   2HB   ALA   3          2HB       ALA   3   6.545  -0.620  -3.810
   84   3HB   ALA   3          3HB       ALA   3   5.705  -0.703  -5.358
   85    H    GLY   4           H        GLY   4   3.889  -3.703  -5.060
   86   1HA   GLY   4          2HA       GLY   4   2.275  -2.345  -6.982
   87   2HA   GLY   4          1HA       GLY   4   2.362  -4.083  -6.741
   88    H    THR   5           H        THR   5   1.662  -3.632  -3.826
   89    HA   THR   5           HA       THR   5  -1.073  -4.160  -3.997
   90    HB   THR   5           HB       THR   5  -0.907  -3.322  -1.463
   91    HG1  THR   5           1HG      THR   5   1.045  -2.918  -0.841
   92   1HG2  THR   5          1HG2      THR   5   0.560  -5.801  -2.310
   93   2HG2  THR   5          2HG2      THR   5  -1.198  -5.674  -2.254
   94   3HG2  THR   5          3HG2      THR   5  -0.253  -5.491  -0.776
   95    H    GLN   6           H        GLN   6   0.646  -1.136  -3.373
   96    HA   GLN   6           HA       GLN   6  -1.606   0.443  -2.778
   97   1HB   GLN   6          2HB       GLN   6   1.045   0.871  -2.674
   98   2HB   GLN   6          1HB       GLN   6   0.682   1.718  -4.171
   99   1HG   GLN   6          2HG       GLN   6   0.523   3.365  -2.547
  100   2HG   GLN   6          1HG       GLN   6  -1.152   2.901  -2.838
  101   1HE2  GLN   6          1HE2      GLN   6  -2.258   1.714  -1.274
  102   2HE2  GLN   6          2HE2      GLN   6  -1.705   1.613   0.359
  103    H    GLU   7           H        GLU   7  -0.135  -0.520  -5.807
  104    HA   GLU   7           HA       GLU   7  -1.384   1.345  -7.495
  105   1HB   GLU   7          2HB       GLU   7  -0.032  -1.269  -7.836
  106   2HB   GLU   7          1HB       GLU   7  -1.101  -0.769  -9.139
  107   1HG   GLU   7          2HG       GLU   7   0.143   1.297  -9.396
  108   2HG   GLU   7          1HG       GLU   7   1.192   0.848  -8.052
  109    H    GLU   8           H        GLU   8  -2.370  -1.934  -6.530
  110    HA   GLU   8           HA       GLU   8  -4.752  -1.947  -8.062
  111   1HB   GLU   8          2HB       GLU   8  -5.374  -3.907  -6.750
  112   2HB   GLU   8          1HB       GLU   8  -3.692  -4.008  -7.249
  113   1HG   GLU   8          2HG       GLU   8  -2.899  -3.659  -5.108
  114   2HG   GLU   8          1HG       GLU   8  -4.396  -2.904  -4.566
  115    H    LEU   9           H        LEU   9  -3.959  -0.794  -4.861
  116    HA   LEU   9           HA       LEU   9  -6.611  -0.528  -3.898
  117   1HB   LEU   9          2HB       LEU   9  -4.253  -0.393  -2.700
  118   2HB   LEU   9          1HB       LEU   9  -4.458   1.323  -2.993
  119    HG   LEU   9           HG       LEU   9  -5.227   0.834  -0.777
  120   1HD1  LEU   9          1HD1      LEU   9  -7.447   1.710  -0.859
  121   2HD1  LEU   9          2HD1      LEU   9  -7.663   1.151  -2.518
  122   3HD1  LEU   9          3HD1      LEU   9  -6.522   2.449  -2.167
  123   1HD2  LEU   9          1HD2      LEU   9  -7.395  -0.712  -0.766
  124   2HD2  LEU   9          2HD2      LEU   9  -5.768  -1.358  -0.546
  125   3HD2  LEU   9          3HD2      LEU   9  -6.547  -1.448  -2.126
  126    H    LEU  10           H        LEU  10  -4.384   1.740  -5.474
  127    HA   LEU  10           HA       LEU  10  -6.076   3.988  -5.375
  128   1HB   LEU  10          2HB       LEU  10  -3.744   3.213  -7.095
  129   2HB   LEU  10          1HB       LEU  10  -4.646   4.677  -7.433
  130    HG   LEU  10           HG       LEU  10  -3.461   4.155  -4.721
  131   1HD1  LEU  10          1HD1      LEU  10  -1.477   4.150  -5.808
  132   2HD1  LEU  10          2HD1      LEU  10  -1.726   5.895  -5.761
  133   3HD1  LEU  10          3HD1      LEU  10  -2.121   4.987  -7.220
  134   1HD2  LEU  10          1HD2      LEU  10  -3.799   6.425  -4.335
  135   2HD2  LEU  10          2HD2      LEU  10  -5.248   5.938  -5.214
  136   3HD2  LEU  10          3HD2      LEU  10  -3.952   6.794  -6.052
  137    H    ARG  11           H        ARG  11  -5.799   1.331  -7.647
  138    HA   ARG  11           HA       ARG  11  -7.387   2.438  -9.707
  139   1HB   ARG  11          2HB       ARG  11  -6.782  -0.429  -8.979
  140   2HB   ARG  11          1HB       ARG  11  -7.652   0.044 -10.431
  141   1HG   ARG  11          2HG       ARG  11  -4.895   1.047  -9.792
  142   2HG   ARG  11          1HG       ARG  11  -5.192  -0.434 -10.704
  143   1HD   ARG  11          2HD       ARG  11  -6.704   1.089 -12.170
  144   2HD   ARG  11          1HD       ARG  11  -5.773   2.404 -11.450
  145    HE   ARG  11           HE       ARG  11  -4.151   0.304 -12.558
  146   1HH1  ARG  11          1HH1      ARG  11  -5.847   3.277 -13.242
  147   2HH1  ARG  11          2HH1      ARG  11  -4.872   3.662 -14.621
  148   1HH2  ARG  11          1HH2      ARG  11  -2.867   0.810 -14.369
  149   2HH2  ARG  11          2HH2      ARG  11  -3.180   2.262 -15.260
  150    H    TRP  12           H        TRP  12  -8.149   0.518  -6.853
  151    HA   TRP  12           HA       TRP  12 -10.861   0.032  -7.484
  152   1HB   TRP  12          2HB       TRP  12  -9.638  -1.268  -5.795
  153   2HB   TRP  12          1HB       TRP  12  -9.519   0.161  -4.775
  154    HD1  TRP  12           HD       TRP  12 -12.197  -2.244  -6.179
  155    HE1  TRP  12           1HE      TRP  12 -14.198  -2.247  -4.559
  156    HE3  TRP  12           3HE      TRP  12 -10.629   1.395  -2.949
  157    HZ2  TRP  12           2HZ      TRP  12 -15.002  -0.884  -2.221
  158    HZ3  TRP  12           3HZ      TRP  12 -12.072   1.985  -1.047
  159    HH2  TRP  12           HH       TRP  12 -14.214   0.870  -0.692
  160    H    CYS  13           H        CYS  13  -9.310   2.513  -5.459
  161    HA   CYS  13           HA       CYS  13 -11.685   3.815  -4.693
  162   1HB   CYS  13          2HB       CYS  13  -9.401   4.085  -3.643
  163   2HB   CYS  13          1HB       CYS  13  -8.978   5.118  -5.003
  164    HG   CYS  13           HG       CYS  13 -10.840   5.880  -2.680
  165    H    GLN  14           H        GLN  14  -9.424   4.439  -7.359
  166    HA   GLN  14           HA       GLN  14 -10.800   6.706  -8.352
  167   1HB   GLN  14          2HB       GLN  14  -8.457   6.281  -8.892
  168   2HB   GLN  14          1HB       GLN  14  -8.903   4.814  -9.753
  169   1HG   GLN  14          2HG       GLN  14 -10.435   6.649 -11.028
  170   2HG   GLN  14          1HG       GLN  14  -9.024   7.616 -10.601
  171   1HE2  GLN  14          1HE2      GLN  14 -10.085   4.701 -12.248
  172   2HE2  GLN  14          2HE2      GLN  14  -8.737   4.593 -13.322
  173    H    GLU  15           H        GLU  15 -11.068   3.258  -8.963
  174    HA   GLU  15           HA       GLU  15 -12.694   3.415 -11.267
  175   1HB   GLU  15          2HB       GLU  15 -11.970   1.328  -9.292
  176   2HB   GLU  15          1HB       GLU  15 -13.465   1.066 -10.180
  177   1HG   GLU  15          2HG       GLU  15 -12.387   0.893 -12.213
  178   2HG   GLU  15          1HG       GLU  15 -10.967   1.774 -11.650
  179    H    GLN  16           H        GLN  16 -13.471   3.130  -7.819
  180    HA   GLN  16           HA       GLN  16 -16.275   3.026  -8.145
  181   1HB   GLN  16          2HB       GLN  16 -14.559   3.856  -5.803
  182   2HB   GLN  16          1HB       GLN  16 -16.310   3.720  -5.718
  183   1HG   GLN  16          2HG       GLN  16 -14.779   1.385  -6.717
  184   2HG   GLN  16          1HG       GLN  16 -14.717   1.749  -4.993
  185   1HE2  GLN  16          1HE2      GLN  16 -16.324   0.061  -7.315
  186   2HE2  GLN  16          2HE2      GLN  16 -17.827  -0.194  -6.499
  187    H    THR  17           H        THR  17 -14.002   5.686  -7.767
  188    HA   THR  17           HA       THR  17 -16.143   7.646  -7.685
  189    HB   THR  17           HB       THR  17 -14.050   7.860  -6.313
  190    HG1  THR  17           1HG      THR  17 -14.132  10.004  -6.458
  191   1HG2  THR  17          1HG2      THR  17 -12.765   7.575  -8.820
  192   2HG2  THR  17          2HG2      THR  17 -12.045   7.773  -7.223
  193   3HG2  THR  17          3HG2      THR  17 -12.426   9.189  -8.201
  194    H    ALA  18           H        ALA  18 -15.036   5.884 -10.114
  195    HA   ALA  18           HA       ALA  18 -14.463   7.942 -12.055
  196   1HB   ALA  18          1HB       ALA  18 -13.428   5.670 -12.114
  197   2HB   ALA  18          2HB       ALA  18 -14.193   6.161 -13.627
  198   3HB   ALA  18          3HB       ALA  18 -15.008   5.021 -12.556
  199    H    GLY  19           H        GLY  19 -15.913   9.015 -13.228
  200   1HA   GLY  19          2HA       GLY  19 -17.919   8.536 -14.738
  201   2HA   GLY  19          1HA       GLY  19 -18.686   8.012 -13.248
  202    H    TYR  20           H        TYR  20 -17.319  10.157 -11.710
  203    HA   TYR  20           HA       TYR  20 -19.319  12.174 -12.093
  204   1HB   TYR  20          2HB       TYR  20 -16.915  12.181 -10.255
  205   2HB   TYR  20          1HB       TYR  20 -18.292  13.273 -10.162
  206    HD1  TYR  20           1HD      TYR  20 -20.260  12.649  -9.007
  207    HD2  TYR  20           2HD      TYR  20 -17.269   9.731  -9.800
  208    HE1  TYR  20           1HE      TYR  20 -21.411  11.072  -7.514
  209    HE2  TYR  20           2HE      TYR  20 -18.412   8.144  -8.311
  210    HH   TYR  20           HH       TYR  20 -20.585   7.745  -7.365
  211    HA   PRO  21           HA       PRO  21 -16.905  14.655 -14.895
  212   1HB   PRO  21          2HB       PRO  21 -18.464  16.853 -14.934
  213   2HB   PRO  21          1HB       PRO  21 -18.942  15.347 -15.726
  214   1HG   PRO  21          2HG       PRO  21 -19.787  16.440 -13.069
  215   2HG   PRO  21          1HG       PRO  21 -20.772  15.670 -14.328
  216   1HD   PRO  21          2HD       PRO  21 -19.895  14.356 -12.108
  217   2HD   PRO  21          1HD       PRO  21 -20.189  13.550 -13.662
  218    H    GLY  22           H        GLY  22 -15.005  15.172 -13.872
  219   1HA   GLY  22          2HA       GLY  22 -13.727  17.142 -13.247
  220   2HA   GLY  22          1HA       GLY  22 -15.072  17.615 -12.217
  221    H    VAL  23           H        VAL  23 -14.088  14.295 -12.302
  222    HA   VAL  23           HA       VAL  23 -12.668  14.643  -9.748
  223    HB   VAL  23           HB       VAL  23 -14.556  12.360 -10.317
  224   1HG1  VAL  23          1HG1      VAL  23 -13.974  11.505  -8.318
  225   2HG1  VAL  23          2HG1      VAL  23 -13.826  13.092  -7.565
  226   3HG1  VAL  23          3HG1      VAL  23 -12.509  12.458  -8.552
  227   1HG2  VAL  23          1HG2      VAL  23 -16.113  14.005 -10.078
  228   2HG2  VAL  23          2HG2      VAL  23 -15.038  15.041  -9.141
  229   3HG2  VAL  23          3HG2      VAL  23 -15.819  13.658  -8.374
  230    H    HIS  24           H        HIS  24 -10.694  13.864  -9.855
  231    HA   HIS  24           HA       HIS  24 -10.171  11.453 -11.446
  232   1HB   HIS  24          2HB       HIS  24  -8.827  14.117 -11.673
  233   2HB   HIS  24          1HB       HIS  24  -7.880  12.659 -11.942
  234    HD1  HIS  24           1HD      HIS  24 -10.064  14.987 -13.639
  235    HD2  HIS  24           2HD      HIS  24  -9.045  10.983 -14.081
  236    HE1  HIS  24           1HE      HIS  24 -10.752  14.372 -15.979
  237    HE2  HIS  24           2HE      HIS  24 -10.047  11.969 -16.253
  238    H    VAL  25           H        VAL  25 -10.290  10.500  -9.288
  239    HA   VAL  25           HA       VAL  25  -8.352  11.193  -7.302
  240    HB   VAL  25           HB       VAL  25 -10.002   8.672  -7.519
  241   1HG1  VAL  25          1HG1      VAL  25  -8.129   9.735  -5.500
  242   2HG1  VAL  25          2HG1      VAL  25  -8.570   8.070  -5.876
  243   3HG1  VAL  25          3HG1      VAL  25  -9.638   9.063  -4.885
  244   1HG2  VAL  25          1HG2      VAL  25 -11.297  10.830  -7.496
  245   2HG2  VAL  25          2HG2      VAL  25 -10.616  11.135  -5.897
  246   3HG2  VAL  25          3HG2      VAL  25 -11.644   9.728  -6.164
  247    H    SER  26           H        SER  26  -6.259  10.886  -7.676
  248    HA   SER  26           HA       SER  26  -5.297   8.215  -8.202
  249   1HB   SER  26          2HB       SER  26  -5.615   9.943 -10.384
  250   2HB   SER  26          1HB       SER  26  -3.893   9.993 -10.012
  251    HG   SER  26           HG       SER  26  -3.983   8.239 -11.228
  252    H    ASP  27           H        ASP  27  -5.182  10.393  -6.141
  253    HA   ASP  27           HA       ASP  27  -2.277  10.328  -5.775
  254   1HB   ASP  27          2HB       ASP  27  -3.979  12.797  -5.355
  255   2HB   ASP  27          1HB       ASP  27  -2.259  12.657  -5.001
  256    H    LEU  28           H        LEU  28  -1.600  10.500  -3.562
  257    HA   LEU  28           HA       LEU  28  -3.649   9.520  -1.722
  258   1HB   LEU  28          2HB       LEU  28  -0.640   9.556  -1.467
  259   2HB   LEU  28          1HB       LEU  28  -1.747   8.854  -0.301
  260    HG   LEU  28           HG       LEU  28  -0.834   7.070  -1.591
  261   1HD1  LEU  28          1HD1      LEU  28  -3.573   7.593  -2.722
  262   2HD1  LEU  28          2HD1      LEU  28  -3.280   7.024  -1.079
  263   3HD1  LEU  28          3HD1      LEU  28  -2.794   6.033  -2.455
  264   1HD2  LEU  28          1HD2      LEU  28  -0.633   7.003  -3.897
  265   2HD2  LEU  28          2HD2      LEU  28  -0.282   8.694  -3.534
  266   3HD2  LEU  28          3HD2      LEU  28  -1.873   8.235  -4.143
  267    H    SER  29           H        SER  29  -3.691  12.291  -2.355
  268    HA   SER  29           HA       SER  29  -3.841  13.397   0.224
  269   1HB   SER  29          2HB       SER  29  -1.492  13.552   0.337
  270   2HB   SER  29          1HB       SER  29  -1.357  14.045  -1.350
  271    HG   SER  29           HG       SER  29  -2.554  15.589   0.710
  272    H    SER  30           H        SER  30  -2.617  15.080  -2.644
  273    HA   SER  30           HA       SER  30  -4.483  17.135  -2.572
  274   1HB   SER  30          2HB       SER  30  -3.076  16.085  -5.037
  275   2HB   SER  30          1HB       SER  30  -3.741  17.703  -4.814
  276    HG   SER  30           HG       SER  30  -1.632  17.928  -4.335
  277    H    SER  31           H        SER  31  -4.811  13.922  -3.808
  278    HA   SER  31           HA       SER  31  -6.933  14.382  -5.624
  279   1HB   SER  31          2HB       SER  31  -5.580  12.075  -4.453
  280   2HB   SER  31          1HB       SER  31  -7.300  11.794  -4.715
  281    HG   SER  31           HG       SER  31  -6.856  12.685  -6.900
  282    H    TRP  32           H        TRP  32  -6.801  13.923  -2.163
  283    HA   TRP  32           HA       TRP  32  -9.735  13.877  -2.034
  284   1HB   TRP  32          2HB       TRP  32  -7.770  13.380   0.208
  285   2HB   TRP  32          1HB       TRP  32  -9.504  13.072   0.230
  286    HD1  TRP  32           HD       TRP  32  -6.643  11.931  -2.154
  287    HE1  TRP  32           1HE      TRP  32  -6.892   9.394  -2.514
  288    HE3  TRP  32           3HE      TRP  32 -10.733  11.089   0.795
  289    HZ2  TRP  32           2HZ      TRP  32  -8.596   7.312  -1.660
  290    HZ3  TRP  32           3HZ      TRP  32 -11.610   8.797   0.969
  291    HH2  TRP  32           HH       TRP  32 -10.563   6.949  -0.234
  292    H    ALA  33           H        ALA  33  -7.874  16.254  -2.488
  293    HA   ALA  33           HA       ALA  33  -7.808  17.913  -0.254
  294   1HB   ALA  33          1HB       ALA  33  -8.081  19.719  -2.230
  295   2HB   ALA  33          2HB       ALA  33  -7.637  18.295  -3.170
  296   3HB   ALA  33          3HB       ALA  33  -6.577  18.867  -1.882
  297    H    ASP  34           H        ASP  34 -10.237  17.911  -2.875
  298    HA   ASP  34           HA       ASP  34 -11.995  19.597  -1.321
  299   1HB   ASP  34          2HB       ASP  34 -13.535  19.315  -3.293
  300   2HB   ASP  34          1HB       ASP  34 -11.961  20.004  -3.679
  301    H    GLY  35           H        GLY  35 -11.310  16.410  -1.089
  302   1HA   GLY  35          2HA       GLY  35 -12.376  14.686  -0.012
  303   2HA   GLY  35          1HA       GLY  35 -13.630  15.832   0.435
  304    H    LEU  36           H        LEU  36 -12.790  15.277  -2.900
  305    HA   LEU  36           HA       LEU  36 -15.484  14.530  -3.518
  306   1HB   LEU  36          2HB       LEU  36 -13.057  15.237  -4.985
  307   2HB   LEU  36          1HB       LEU  36 -13.993  13.984  -5.777
  308    HG   LEU  36           HG       LEU  36 -15.016  16.711  -4.983
  309   1HD1  LEU  36          1HD1      LEU  36 -15.290  16.496  -7.679
  310   2HD1  LEU  36          2HD1      LEU  36 -13.771  15.641  -7.408
  311   3HD1  LEU  36          3HD1      LEU  36 -13.955  17.308  -6.862
  312   1HD2  LEU  36          1HD2      LEU  36 -16.341  14.299  -6.167
  313   2HD2  LEU  36          2HD2      LEU  36 -16.949  15.923  -6.489
  314   3HD2  LEU  36          3HD2      LEU  36 -16.877  15.322  -4.834
  315    H    ALA  37           H        ALA  37 -12.424  12.835  -3.180
  316    HA   ALA  37           HA       ALA  37 -13.178  10.384  -4.322
  317   1HB   ALA  37          1HB       ALA  37 -11.182   9.574  -3.563
  318   2HB   ALA  37          2HB       ALA  37 -11.310  10.402  -2.012
  319   3HB   ALA  37          3HB       ALA  37 -10.859  11.305  -3.456
  320    H    LEU  38           H        LEU  38 -13.313  11.509  -0.952
  321    HA   LEU  38           HA       LEU  38 -14.393   9.114   0.096
  322   1HB   LEU  38          2HB       LEU  38 -13.342  11.325   1.206
  323   2HB   LEU  38          1HB       LEU  38 -15.045  11.683   1.421
  324    HG   LEU  38           HG       LEU  38 -13.803   9.101   2.354
  325   1HD1  LEU  38          1HD1      LEU  38 -13.760  11.793   3.568
  326   2HD1  LEU  38          2HD1      LEU  38 -12.651  10.437   3.766
  327   3HD1  LEU  38          3HD1      LEU  38 -14.187  10.453   4.632
  328   1HD2  LEU  38          1HD2      LEU  38 -15.779   8.926   3.717
  329   2HD2  LEU  38          2HD2      LEU  38 -16.258   9.177   2.038
  330   3HD2  LEU  38          3HD2      LEU  38 -16.333  10.515   3.185
  331    H    CYS  39           H        CYS  39 -15.878  12.141  -0.995
  332    HA   CYS  39           HA       CYS  39 -18.531  11.418  -0.322
  333   1HB   CYS  39          2HB       CYS  39 -17.234  13.684  -1.358
  334   2HB   CYS  39          1HB       CYS  39 -18.420  13.226  -2.575
  335    HG   CYS  39           HG       CYS  39 -19.031  14.522   0.077
  336    H    ALA  40           H        ALA  40 -16.564  10.986  -3.203
  337    HA   ALA  40           HA       ALA  40 -18.563  10.187  -4.991
  338   1HB   ALA  40          1HB       ALA  40 -16.213  10.744  -5.594
  339   2HB   ALA  40          2HB       ALA  40 -16.807   9.255  -6.328
  340   3HB   ALA  40          3HB       ALA  40 -15.723   9.182  -4.939
  341    H    LEU  41           H        LEU  41 -16.510   8.230  -2.842
  342    HA   LEU  41           HA       LEU  41 -17.554   5.729  -3.557
  343   1HB   LEU  41          2HB       LEU  41 -16.407   6.586  -0.899
  344   2HB   LEU  41          1HB       LEU  41 -16.612   4.930  -1.437
  345    HG   LEU  41           HG       LEU  41 -14.966   6.727  -3.142
  346   1HD1  LEU  41          1HD1      LEU  41 -13.193   6.918  -1.760
  347   2HD1  LEU  41          2HD1      LEU  41 -13.523   5.386  -0.949
  348   3HD1  LEU  41          3HD1      LEU  41 -14.435   6.831  -0.510
  349   1HD2  LEU  41          1HD2      LEU  41 -15.610   4.124  -3.292
  350   2HD2  LEU  41          2HD2      LEU  41 -14.127   4.012  -2.346
  351   3HD2  LEU  41          3HD2      LEU  41 -14.107   4.790  -3.928
  352    H    VAL  42           H        VAL  42 -18.443   7.936  -0.919
  353    HA   VAL  42           HA       VAL  42 -20.416   6.359   0.265
  354    HB   VAL  42           HB       VAL  42 -20.470   9.372   0.074
  355   1HG1  VAL  42          1HG1      VAL  42 -22.512   8.576   0.975
  356   2HG1  VAL  42          2HG1      VAL  42 -21.541   9.114   2.345
  357   3HG1  VAL  42          3HG1      VAL  42 -21.686   7.394   1.989
  358   1HG2  VAL  42          1HG2      VAL  42 -18.379   7.876   1.051
  359   2HG2  VAL  42          2HG2      VAL  42 -19.334   8.208   2.495
  360   3HG2  VAL  42          3HG2      VAL  42 -18.752   9.541   1.498
  361    H    TYR  43           H        TYR  43 -20.628   8.662  -2.412
  362    HA   TYR  43           HA       TYR  43 -23.418   8.633  -2.715
  363   1HB   TYR  43          2HB       TYR  43 -21.849  10.266  -3.788
  364   2HB   TYR  43          1HB       TYR  43 -21.371   8.997  -4.911
  365    HD1  TYR  43           1HD      TYR  43 -22.815   8.331  -6.720
  366    HD2  TYR  43           2HD      TYR  43 -24.101  11.240  -3.895
  367    HE1  TYR  43           1HE      TYR  43 -24.681   8.938  -8.201
  368    HE2  TYR  43           2HE      TYR  43 -25.971  11.854  -5.368
  369    HH   TYR  43           HH       TYR  43 -27.315  10.647  -7.237
  370    H    ARG  44           H        ARG  44 -20.898   6.524  -3.982
  371    HA   ARG  44           HA       ARG  44 -22.482   5.091  -5.812
  372   1HB   ARG  44          2HB       ARG  44 -19.817   5.005  -4.858
  373   2HB   ARG  44          1HB       ARG  44 -20.478   3.390  -4.657
  374   1HG   ARG  44          2HG       ARG  44 -20.395   4.980  -7.212
  375   2HG   ARG  44          1HG       ARG  44 -19.385   3.592  -6.801
  376   1HD   ARG  44          2HD       ARG  44 -22.240   3.057  -6.541
  377   2HD   ARG  44          1HD       ARG  44 -21.766   3.510  -8.177
  378    HE   ARG  44           HE       ARG  44 -20.536   1.560  -8.350
  379   1HH1  ARG  44          1HH1      ARG  44 -21.729   1.936  -5.087
  380   2HH1  ARG  44          2HH1      ARG  44 -21.324   0.319  -4.623
  381   1HH2  ARG  44          1HH2      ARG  44 -20.006  -0.564  -7.735
  382   2HH2  ARG  44          2HH2      ARG  44 -20.347  -1.100  -6.124
  383    H    LEU  45           H        LEU  45 -21.833   4.609  -2.371
  384    HA   LEU  45           HA       LEU  45 -23.430   2.193  -2.287
  385   1HB   LEU  45          2HB       LEU  45 -21.827   3.753  -0.303
  386   2HB   LEU  45          1HB       LEU  45 -23.014   2.597   0.272
  387    HG   LEU  45           HG       LEU  45 -20.689   1.706   0.142
  388   1HD1  LEU  45          1HD1      LEU  45 -22.806   0.321  -0.021
  389   2HD1  LEU  45          2HD1      LEU  45 -21.329  -0.420  -0.639
  390   3HD1  LEU  45          3HD1      LEU  45 -22.511   0.260  -1.760
  391   1HD2  LEU  45          1HD2      LEU  45 -20.059   2.933  -1.921
  392   2HD2  LEU  45          2HD2      LEU  45 -21.111   1.855  -2.839
  393   3HD2  LEU  45          3HD2      LEU  45 -19.705   1.207  -1.993
  394    H    GLN  46           H        GLN  46 -23.768   5.586  -1.519
  395    HA   GLN  46           HA       GLN  46 -26.628   5.162  -1.069
  396   1HB   GLN  46          2HB       GLN  46 -26.532   6.842   0.814
  397   2HB   GLN  46          1HB       GLN  46 -25.829   5.271   1.169
  398   1HG   GLN  46          2HG       GLN  46 -23.622   6.116   0.960
  399   2HG   GLN  46          1HG       GLN  46 -24.203   7.638   0.289
  400   1HE2  GLN  46          1HE2      GLN  46 -26.100   8.478   1.901
  401   2HE2  GLN  46          2HE2      GLN  46 -25.532   8.684   3.519
  402    HA   PRO  47           HA       PRO  47 -25.615   8.696  -3.952
  403   1HB   PRO  47          2HB       PRO  47 -27.331   7.931  -5.916
  404   2HB   PRO  47          1HB       PRO  47 -25.665   7.352  -5.815
  405   1HG   PRO  47          2HG       PRO  47 -28.193   6.010  -4.941
  406   2HG   PRO  47          1HG       PRO  47 -26.802   5.324  -5.800
  407   1HD   PRO  47          2HD       PRO  47 -27.172   4.992  -3.141
  408   2HD   PRO  47          1HD       PRO  47 -25.557   5.104  -3.870
  409    H    GLY  48           H        GLY  48 -28.582   7.235  -2.795
  410   1HA   GLY  48          2HA       GLY  48 -30.204   9.543  -3.418
  411   2HA   GLY  48          1HA       GLY  48 -30.711   8.119  -2.521
  412    H    LEU  49           H        LEU  49 -27.943   8.964  -1.040
  413    HA   LEU  49           HA       LEU  49 -29.200  10.979   0.688
  414   1HB   LEU  49          2HB       LEU  49 -28.173   8.288   1.438
  415   2HB   LEU  49          1HB       LEU  49 -27.904   9.608   2.559
  416    HG   LEU  49           HG       LEU  49 -30.612   8.769   1.524
  417   1HD1  LEU  49          1HD1      LEU  49 -30.079   7.010   2.898
  418   2HD1  LEU  49          2HD1      LEU  49 -30.789   8.134   4.056
  419   3HD1  LEU  49          3HD1      LEU  49 -29.035   7.989   3.930
  420   1HD2  LEU  49          1HD2      LEU  49 -30.602  11.092   2.109
  421   2HD2  LEU  49          2HD2      LEU  49 -29.754  10.758   3.619
  422   3HD2  LEU  49          3HD2      LEU  49 -31.412  10.201   3.397
  423    H    LEU  50           H        LEU  50 -27.210  11.313  -1.353
  424    HA   LEU  50           HA       LEU  50 -25.155  12.563   0.275
  425   1HB   LEU  50          2HB       LEU  50 -24.696  10.092  -1.024
  426   2HB   LEU  50          1HB       LEU  50 -23.819  11.310  -1.929
  427    HG   LEU  50           HG       LEU  50 -22.466  10.208  -0.168
  428   1HD1  LEU  50          1HD1      LEU  50 -21.324  12.131   0.428
  429   2HD1  LEU  50          2HD1      LEU  50 -22.802  13.081   0.587
  430   3HD1  LEU  50          3HD1      LEU  50 -22.206  12.637  -1.013
  431   1HD2  LEU  50          1HD2      LEU  50 -22.882  10.570   2.139
  432   2HD2  LEU  50          2HD2      LEU  50 -24.396   9.998   1.437
  433   3HD2  LEU  50          3HD2      LEU  50 -24.181  11.713   1.794
  434    H    GLU  51           H        GLU  51 -23.803  14.057  -0.959
  435    HA   GLU  51           HA       GLU  51 -24.839  14.836  -3.577
  436   1HB   GLU  51          2HB       GLU  51 -24.743  16.660  -1.170
  437   2HB   GLU  51          1HB       GLU  51 -24.913  17.239  -2.821
  438   1HG   GLU  51          2HG       GLU  51 -26.840  15.175  -2.025
  439   2HG   GLU  51          1HG       GLU  51 -26.973  16.705  -1.159
  440    HA   PRO  52           HA       PRO  52 -20.143  14.866  -2.974
  441   1HB   PRO  52          2HB       PRO  52 -19.774  13.757  -5.499
  442   2HB   PRO  52          1HB       PRO  52 -19.766  12.862  -3.977
  443   1HG   PRO  52          2HG       PRO  52 -21.973  13.215  -5.958
  444   2HG   PRO  52          1HG       PRO  52 -21.520  11.776  -5.024
  445   1HD   PRO  52          2HD       PRO  52 -23.624  13.270  -4.325
  446   2HD   PRO  52          1HD       PRO  52 -22.565  12.550  -3.094
  447    H    SER  53           H        SER  53 -22.221  15.648  -5.735
  448    HA   SER  53           HA       SER  53 -20.425  17.303  -7.105
  449   1HB   SER  53          2HB       SER  53 -22.547  18.352  -8.055
  450   2HB   SER  53          1HB       SER  53 -22.382  16.608  -8.265
  451    HG   SER  53           HG       SER  53 -24.287  17.999  -6.950
  452    H    GLU  54           H        GLU  54 -22.713  17.985  -4.515
  453    HA   GLU  54           HA       GLU  54 -22.298  20.804  -4.529
  454   1HB   GLU  54          2HB       GLU  54 -23.995  18.963  -3.195
  455   2HB   GLU  54          1HB       GLU  54 -23.158  19.888  -1.956
  456   1HG   GLU  54          2HG       GLU  54 -23.950  21.954  -2.880
  457   2HG   GLU  54          1HG       GLU  54 -24.653  21.111  -4.260
  458    H    LEU  55           H        LEU  55 -21.132  18.188  -2.410
  459    HA   LEU  55           HA       LEU  55 -19.506  19.856  -0.802
  460   1HB   LEU  55          2HB       LEU  55 -19.580  16.896  -1.303
  461   2HB   LEU  55          1HB       LEU  55 -18.361  17.613  -0.268
  462    HG   LEU  55           HG       LEU  55 -20.094  16.811   1.146
  463   1HD1  LEU  55          1HD1      LEU  55 -20.939  19.639   1.111
  464   2HD1  LEU  55          2HD1      LEU  55 -19.210  19.334   1.273
  465   3HD1  LEU  55          3HD1      LEU  55 -20.340  18.647   2.439
  466   1HD2  LEU  55          1HD2      LEU  55 -21.861  16.586  -0.497
  467   2HD2  LEU  55          2HD2      LEU  55 -22.015  18.340  -0.604
  468   3HD2  LEU  55          3HD2      LEU  55 -22.436  17.506   0.892
  469    H    GLN  56           H        GLN  56 -19.123  18.785  -3.978
  470    HA   GLN  56           HA       GLN  56 -16.350  18.409  -4.139
  471   1HB   GLN  56          2HB       GLN  56 -17.896  17.707  -5.894
  472   2HB   GLN  56          1HB       GLN  56 -18.299  19.386  -6.227
  473   1HG   GLN  56          2HG       GLN  56 -15.449  18.587  -6.406
  474   2HG   GLN  56          1HG       GLN  56 -16.545  18.038  -7.675
  475   1HE2  GLN  56          1HE2      GLN  56 -14.931  19.442  -8.863
  476   2HE2  GLN  56          2HE2      GLN  56 -15.352  21.107  -9.056
  477    H    GLY  57           H        GLY  57 -18.334  21.314  -4.435
  478   1HA   GLY  57          2HA       GLY  57 -15.835  22.886  -4.586
  479   2HA   GLY  57          1HA       GLY  57 -17.363  23.402  -5.284
  480    H    LEU  58           H        LEU  58 -18.542  22.204  -2.630
  481    HA   LEU  58           HA       LEU  58 -18.995  24.630  -1.348
  482   1HB   LEU  58          2HB       LEU  58 -19.330  21.773  -0.606
  483   2HB   LEU  58          1HB       LEU  58 -19.428  22.958   0.681
  484    HG   LEU  58           HG       LEU  58 -21.059  23.524  -1.719
  485   1HD1  LEU  58          1HD1      LEU  58 -22.344  21.714  -1.713
  486   2HD1  LEU  58          2HD1      LEU  58 -22.509  21.755   0.041
  487   3HD1  LEU  58          3HD1      LEU  58 -21.131  20.939  -0.695
  488   1HD2  LEU  58          1HD2      LEU  58 -20.900  24.799   0.523
  489   2HD2  LEU  58          2HD2      LEU  58 -21.942  23.516   1.138
  490   3HD2  LEU  58          3HD2      LEU  58 -22.485  24.530  -0.198
  491    H    GLY  59           H        GLY  59 -16.342  22.388  -1.054
  492   1HA   GLY  59          2HA       GLY  59 -14.414  23.933  -0.106
  493   2HA   GLY  59          1HA       GLY  59 -15.356  23.708   1.360
  494    H    ALA  60           H        ALA  60 -12.707  22.922   1.184
  495    HA   ALA  60           HA       ALA  60 -12.478  20.144   0.546
  496   1HB   ALA  60          1HB       ALA  60 -10.402  21.017   0.417
  497   2HB   ALA  60          2HB       ALA  60 -10.344  20.593   2.127
  498   3HB   ALA  60          3HB       ALA  60 -10.725  22.245   1.640
  499    H    LEU  61           H        LEU  61 -12.081  21.786   3.689
  500    HA   LEU  61           HA       LEU  61 -12.339  19.474   5.242
  501   1HB   LEU  61          2HB       LEU  61 -12.512  22.397   5.755
  502   2HB   LEU  61          1HB       LEU  61 -13.134  21.323   6.992
  503    HG   LEU  61           HG       LEU  61 -10.739  20.168   6.585
  504   1HD1  LEU  61          1HD1      LEU  61 -10.205  23.103   6.169
  505   2HD1  LEU  61          2HD1      LEU  61 -10.164  21.899   4.881
  506   3HD1  LEU  61          3HD1      LEU  61  -9.027  21.792   6.226
  507   1HD2  LEU  61          1HD2      LEU  61 -10.670  22.558   8.328
  508   2HD2  LEU  61          2HD2      LEU  61 -10.264  20.878   8.684
  509   3HD2  LEU  61          3HD2      LEU  61 -11.952  21.385   8.631
  510    H    GLU  62           H        GLU  62 -14.749  21.762   4.074
  511    HA   GLU  62           HA       GLU  62 -16.927  20.860   5.599
  512   1HB   GLU  62          2HB       GLU  62 -16.648  22.933   4.009
  513   2HB   GLU  62          1HB       GLU  62 -17.304  21.841   2.796
  514   1HG   GLU  62          2HG       GLU  62 -19.318  22.442   3.486
  515   2HG   GLU  62          1HG       GLU  62 -18.997  21.546   4.970
  516    H    ALA  63           H        ALA  63 -15.745  19.868   2.407
  517    HA   ALA  63           HA       ALA  63 -17.804  18.032   1.838
  518   1HB   ALA  63          1HB       ALA  63 -16.113  18.987   0.222
  519   2HB   ALA  63          2HB       ALA  63 -16.442  17.263   0.061
  520   3HB   ALA  63          3HB       ALA  63 -14.968  17.807   0.860
  521    H    THR  64           H        THR  64 -14.637  17.625   3.376
  522    HA   THR  64           HA       THR  64 -14.812  14.815   3.674
  523    HB   THR  64           HB       THR  64 -13.235  16.356   5.654
  524    HG1  THR  64           1HG      THR  64 -11.718  16.932   4.040
  525   1HG2  THR  64          1HG2      THR  64 -11.689  14.715   5.440
  526   2HG2  THR  64          2HG2      THR  64 -12.035  14.455   3.730
  527   3HG2  THR  64          3HG2      THR  64 -13.125  13.811   4.960
  528    H    ALA  65           H        ALA  65 -15.379  17.476   5.973
  529    HA   ALA  65           HA       ALA  65 -16.132  15.874   8.148
  530   1HB   ALA  65          1HB       ALA  65 -17.425  18.516   7.905
  531   2HB   ALA  65          2HB       ALA  65 -15.663  18.497   7.845
  532   3HB   ALA  65          3HB       ALA  65 -16.505  17.818   9.238
  533    H    TRP  66           H        TRP  66 -18.085  17.380   5.597
  534    HA   TRP  66           HA       TRP  66 -20.589  16.577   6.640
  535   1HB   TRP  66          2HB       TRP  66 -20.025  18.351   4.819
  536   2HB   TRP  66          1HB       TRP  66 -20.114  16.991   3.704
  537    HD1  TRP  66           HD       TRP  66 -22.264  19.405   5.611
  538    HE1  TRP  66           1HE      TRP  66 -24.745  18.922   5.130
  539    HE3  TRP  66           3HE      TRP  66 -21.769  14.921   3.205
  540    HZ2  TRP  66           2HZ      TRP  66 -26.290  16.908   3.894
  541    HZ3  TRP  66           3HZ      TRP  66 -23.798  13.782   2.405
  542    HH2  TRP  66           HH       TRP  66 -26.011  14.755   2.743
  543    H    ALA  67           H        ALA  67 -18.544  15.206   4.074
  544    HA   ALA  67           HA       ALA  67 -20.219  13.016   3.493
  545   1HB   ALA  67          1HB       ALA  67 -18.512  13.753   1.942
  546   2HB   ALA  67          2HB       ALA  67 -18.250  12.062   2.370
  547   3HB   ALA  67          3HB       ALA  67 -17.246  13.320   3.093
  548    H    LEU  68           H        LEU  68 -17.540  13.416   5.760
  549    HA   LEU  68           HA       LEU  68 -17.331  10.704   6.517
  550   1HB   LEU  68          2HB       LEU  68 -16.457  13.302   7.695
  551   2HB   LEU  68          1HB       LEU  68 -16.383  11.859   8.688
  552    HG   LEU  68           HG       LEU  68 -15.092  11.951   5.976
  553   1HD1  LEU  68          1HD1      LEU  68 -14.213  13.220   8.494
  554   2HD1  LEU  68          2HD1      LEU  68 -13.841  13.633   6.821
  555   3HD1  LEU  68          3HD1      LEU  68 -13.000  12.296   7.606
  556   1HD2  LEU  68          1HD2      LEU  68 -14.074  10.006   6.575
  557   2HD2  LEU  68          2HD2      LEU  68 -15.548   9.847   7.531
  558   3HD2  LEU  68          3HD2      LEU  68 -14.059  10.411   8.291
  559    H    LYS  69           H        LYS  69 -19.141  13.421   7.917
  560    HA   LYS  69           HA       LYS  69 -20.165  12.011  10.130
  561   1HB   LYS  69          2HB       LYS  69 -20.198  14.601   9.380
  562   2HB   LYS  69          1HB       LYS  69 -21.842  14.148   8.949
  563   1HG   LYS  69          2HG       LYS  69 -22.057  13.231  11.300
  564   2HG   LYS  69          1HG       LYS  69 -20.542  14.064  11.654
  565   1HD   LYS  69          2HD       LYS  69 -21.512  16.102  11.635
  566   2HD   LYS  69          1HD       LYS  69 -22.590  15.689  10.300
  567   1HE   LYS  69          2HE       LYS  69 -23.064  14.397  12.933
  568   2HE   LYS  69          1HE       LYS  69 -23.493  16.096  12.757
  569   1HZ   LYS  69          1HZ       LYS  69 -24.567  13.770  11.289
  570   2HZ   LYS  69          2HZ       LYS  69 -24.721  15.338  10.676
  571   3HZ   LYS  69          3HZ       LYS  69 -25.409  14.944  12.169
  572    H    VAL  70           H        VAL  70 -21.581  12.683   6.935
  573    HA   VAL  70           HA       VAL  70 -23.988  11.262   7.432
  574    HB   VAL  70           HB       VAL  70 -23.816  12.976   5.673
  575   1HG1  VAL  70          1HG1      VAL  70 -21.485  12.217   4.973
  576   2HG1  VAL  70          2HG1      VAL  70 -22.593  12.697   3.689
  577   3HG1  VAL  70          3HG1      VAL  70 -22.302  10.988   4.008
  578   1HG2  VAL  70          1HG2      VAL  70 -24.609  10.205   4.804
  579   2HG2  VAL  70          2HG2      VAL  70 -24.946  11.650   3.850
  580   3HG2  VAL  70          3HG2      VAL  70 -25.640  11.475   5.462
  581    H    ALA  71           H        ALA  71 -20.951  10.390   5.814
  582    HA   ALA  71           HA       ALA  71 -21.668   7.875   4.866
  583   1HB   ALA  71          1HB       ALA  71 -19.293   7.351   4.861
  584   2HB   ALA  71          2HB       ALA  71 -18.973   8.709   5.942
  585   3HB   ALA  71          3HB       ALA  71 -19.556   9.003   4.304
  586    H    GLU  72           H        GLU  72 -20.372   8.821   8.021
  587    HA   GLU  72           HA       GLU  72 -20.341   6.191   9.099
  588   1HB   GLU  72          2HB       GLU  72 -18.965   8.059   9.981
  589   2HB   GLU  72          1HB       GLU  72 -20.431   8.840  10.555
  590   1HG   GLU  72          2HG       GLU  72 -19.962   6.060  11.443
  591   2HG   GLU  72          1HG       GLU  72 -18.899   7.305  12.098
  592    H    ASN  73           H        ASN  73 -22.669   8.827   9.079
  593    HA   ASN  73           HA       ASN  73 -24.470   7.667  10.935
  594   1HB   ASN  73          2HB       ASN  73 -24.300  10.119  10.090
  595   2HB   ASN  73          1HB       ASN  73 -25.337   9.565   8.781
  596   1HD2  ASN  73          1HD2      ASN  73 -27.215  10.519   9.246
  597   2HD2  ASN  73          2HD2      ASN  73 -28.089  10.319  10.722
  598    H    GLU  74           H        GLU  74 -24.263   7.615   7.408
  599    HA   GLU  74           HA       GLU  74 -26.684   6.088   7.125
  600   1HB   GLU  74          2HB       GLU  74 -25.247   7.734   5.464
  601   2HB   GLU  74          1HB       GLU  74 -24.874   6.140   4.823
  602   1HG   GLU  74          2HG       GLU  74 -27.701   6.480   5.390
  603   2HG   GLU  74          1HG       GLU  74 -27.088   7.661   4.235
  604    H    LEU  75           H        LEU  75 -23.207   5.401   6.868
  605    HA   LEU  75           HA       LEU  75 -23.844   2.563   6.490
  606   1HB   LEU  75          2HB       LEU  75 -21.780   4.313   5.516
  607   2HB   LEU  75          1HB       LEU  75 -21.062   2.940   6.337
  608    HG   LEU  75           HG       LEU  75 -23.168   2.564   4.228
  609   1HD1  LEU  75          1HD1      LEU  75 -21.289   3.935   3.330
  610   2HD1  LEU  75          2HD1      LEU  75 -21.476   2.363   2.555
  611   3HD1  LEU  75          3HD1      LEU  75 -20.197   2.615   3.743
  612   1HD2  LEU  75          1HD2      LEU  75 -21.530   0.457   4.055
  613   2HD2  LEU  75          2HD2      LEU  75 -22.909   0.515   5.153
  614   3HD2  LEU  75          3HD2      LEU  75 -21.288   0.867   5.752
  615    H    GLY  76           H        GLY  76 -21.764   4.646   8.502
  616   1HA   GLY  76          2HA       GLY  76 -21.781   4.152  10.924
  617   2HA   GLY  76          1HA       GLY  76 -21.729   2.453  10.486
  618    H    ILE  77           H        ILE  77 -19.796   4.416   8.492
  619    HA   ILE  77           HA       ILE  77 -17.396   3.244   9.602
  620    HB   ILE  77           HB       ILE  77 -17.581   5.207   7.320
  621   1HG1  ILE  77          2HG1      ILE  77 -19.050   3.267   6.906
  622   2HG1  ILE  77          1HG1      ILE  77 -17.665   3.286   5.817
  623   1HG2  ILE  77          1HG2      ILE  77 -15.493   3.887   6.638
  624   2HG2  ILE  77          2HG2      ILE  77 -15.482   3.306   8.303
  625   3HG2  ILE  77          3HG2      ILE  77 -15.347   5.032   7.971
  626   1HD1  ILE  77          1HD1      ILE  77 -18.188   1.045   6.664
  627   2HD1  ILE  77          2HD1      ILE  77 -17.883   1.611   8.306
  628   3HD1  ILE  77          3HD1      ILE  77 -16.572   1.581   7.128
  629    H    THR  78           H        THR  78 -16.629   4.173  11.404
  630    HA   THR  78           HA       THR  78 -16.934   6.955  11.973
  631    HB   THR  78           HB       THR  78 -16.880   5.431  13.819
  632    HG1  THR  78           1HG      THR  78 -15.255   6.370  15.051
  633   1HG2  THR  78          1HG2      THR  78 -14.296   4.492  12.654
  634   2HG2  THR  78          2HG2      THR  78 -15.691   3.554  13.188
  635   3HG2  THR  78          3HG2      THR  78 -14.634   4.317  14.375
  636    HA   PRO  79           HA       PRO  79 -13.526   8.591   9.638
  637   1HB   PRO  79          2HB       PRO  79 -13.378  10.502  11.921
  638   2HB   PRO  79          1HB       PRO  79 -13.458  10.826  10.186
  639   1HG   PRO  79          2HG       PRO  79 -15.598  11.179  11.722
  640   2HG   PRO  79          1HG       PRO  79 -15.755  10.493  10.095
  641   1HD   PRO  79          2HD       PRO  79 -15.871   9.128  12.748
  642   2HD   PRO  79          1HD       PRO  79 -16.788   8.796  11.265
  643    H    VAL  80           H        VAL  80 -11.378   8.235   9.617
  644    HA   VAL  80           HA       VAL  80 -10.112   7.411  12.148
  645    HB   VAL  80           HB       VAL  80  -9.248   6.605   9.371
  646   1HG1  VAL  80          1HG1      VAL  80  -7.425   6.410  10.849
  647   2HG1  VAL  80          2HG1      VAL  80  -8.097   4.784  10.718
  648   3HG1  VAL  80          3HG1      VAL  80  -8.437   5.768  12.142
  649   1HG2  VAL  80          1HG2      VAL  80 -10.364   4.530   9.656
  650   2HG2  VAL  80          2HG2      VAL  80 -11.544   5.789  10.021
  651   3HG2  VAL  80          3HG2      VAL  80 -10.769   4.900  11.332
  652    H    VAL  81           H        VAL  81 -10.025   9.682   9.586
  653    HA   VAL  81           HA       VAL  81  -7.553  10.809  10.687
  654    HB   VAL  81           HB       VAL  81  -6.869  11.445   8.341
  655   1HG1  VAL  81          1HG1      VAL  81  -5.453   9.841   9.067
  656   2HG1  VAL  81          2HG1      VAL  81  -6.287   8.867   7.855
  657   3HG1  VAL  81          3HG1      VAL  81  -6.758   8.757   9.551
  658   1HG2  VAL  81          1HG2      VAL  81  -8.648   9.199   7.449
  659   2HG2  VAL  81          2HG2      VAL  81  -7.800  10.395   6.467
  660   3HG2  VAL  81          3HG2      VAL  81  -9.196  10.874   7.435
  661    H    SER  82           H        SER  82  -7.376  13.064  10.520
  662    HA   SER  82           HA       SER  82  -9.881  14.451  10.448
  663   1HB   SER  82          2HB       SER  82  -7.059  15.517  10.716
  664   2HB   SER  82          1HB       SER  82  -8.532  16.449  10.987
  665    HG   SER  82           HG       SER  82  -9.021  14.735  12.596
  666    H    ALA  83           H        ALA  83 -10.514  16.104   9.035
  667    HA   ALA  83           HA       ALA  83 -10.051  15.665   6.320
  668   1HB   ALA  83          1HB       ALA  83 -11.072  18.189   7.618
  669   2HB   ALA  83          2HB       ALA  83 -12.049  16.780   7.206
  670   3HB   ALA  83          3HB       ALA  83 -11.281  17.722   5.928
  671    H    GLN  84           H        GLN  84  -8.665  18.092   8.503
  672    HA   GLN  84           HA       GLN  84  -7.225  19.564   6.624
  673   1HB   GLN  84          2HB       GLN  84  -7.569  20.226   8.991
  674   2HB   GLN  84          1HB       GLN  84  -6.430  18.981   9.483
  675   1HG   GLN  84          2HG       GLN  84  -4.648  20.096   8.275
  676   2HG   GLN  84          1HG       GLN  84  -5.781  21.322   7.705
  677   1HE2  GLN  84          1HE2      GLN  84  -4.305  22.834   8.695
  678   2HE2  GLN  84          2HE2      GLN  84  -4.413  23.147  10.389
  679    H    ALA  85           H        ALA  85  -6.383  16.595   8.332
  680    HA   ALA  85           HA       ALA  85  -3.691  16.480   7.449
  681   1HB   ALA  85          1HB       ALA  85  -4.219  13.905   7.959
  682   2HB   ALA  85          2HB       ALA  85  -5.571  14.653   8.809
  683   3HB   ALA  85          3HB       ALA  85  -3.914  15.095   9.224
  684    H    VAL  86           H        VAL  86  -6.685  14.985   6.261
  685    HA   VAL  86           HA       VAL  86  -5.550  13.464   4.204
  686    HB   VAL  86           HB       VAL  86  -8.287  14.736   4.139
  687   1HG1  VAL  86          1HG1      VAL  86  -8.229  13.745   2.116
  688   2HG1  VAL  86          2HG1      VAL  86  -8.552  12.281   3.044
  689   3HG1  VAL  86          3HG1      VAL  86  -6.901  12.673   2.561
  690   1HG2  VAL  86          1HG2      VAL  86  -8.673  12.193   5.046
  691   2HG2  VAL  86          2HG2      VAL  86  -8.630  13.633   6.063
  692   3HG2  VAL  86          3HG2      VAL  86  -7.180  12.646   5.870
  693    H    VAL  87           H        VAL  87  -7.007  16.714   4.079
  694    HA   VAL  87           HA       VAL  87  -6.437  17.138   1.337
  695    HB   VAL  87           HB       VAL  87  -6.835  19.268   3.438
  696   1HG1  VAL  87          1HG1      VAL  87  -6.147  19.549   0.817
  697   2HG1  VAL  87          2HG1      VAL  87  -7.012  20.755   1.769
  698   3HG1  VAL  87          3HG1      VAL  87  -7.906  19.639   0.736
  699   1HG2  VAL  87          1HG2      VAL  87  -8.685  17.283   2.372
  700   2HG2  VAL  87          2HG2      VAL  87  -9.251  18.940   2.167
  701   3HG2  VAL  87          3HG2      VAL  87  -8.842  18.340   3.774
  702    H    ALA  88           H        ALA  88  -4.658  17.747   4.295
  703    HA   ALA  88           HA       ALA  88  -2.617  19.298   2.956
  704   1HB   ALA  88          1HB       ALA  88  -3.161  19.891   5.220
  705   2HB   ALA  88          2HB       ALA  88  -1.508  19.280   5.175
  706   3HB   ALA  88          3HB       ALA  88  -2.810  18.254   5.776
  707    H    GLY  89           H        GLY  89  -3.262  15.993   3.408
  708   1HA   GLY  89          2HA       GLY  89  -2.047  14.098   2.970
  709   2HA   GLY  89          1HA       GLY  89  -1.011  15.130   1.993
  710    H    SER  90           H        SER  90  -1.493  15.580   5.434
  711    HA   SER  90           HA       SER  90   1.344  14.928   5.842
  712   1HB   SER  90          2HB       SER  90   0.825  16.236   8.073
  713   2HB   SER  90          1HB       SER  90   1.124  17.113   6.573
  714    HG   SER  90           HG       SER  90  -1.060  17.425   6.333
  715    H    ASP  91           H        ASP  91  -0.771  12.933   5.743
  716    HA   ASP  91           HA       ASP  91  -0.168  11.607   8.239
  717   1HB   ASP  91          2HB       ASP  91  -2.412  13.070   8.334
  718   2HB   ASP  91          1HB       ASP  91  -3.073  11.613   7.598
  719    HA   PRO  92           HA       PRO  92  -0.435   8.983   4.348
  720   1HB   PRO  92          2HB       PRO  92   1.922   7.675   4.885
  721   2HB   PRO  92          1HB       PRO  92   1.796   9.124   3.884
  722   1HG   PRO  92          2HG       PRO  92   2.578   8.868   6.760
  723   2HG   PRO  92          1HG       PRO  92   3.281   9.891   5.494
  724   1HD   PRO  92          2HD       PRO  92   1.600  10.887   7.336
  725   2HD   PRO  92          1HD       PRO  92   1.597  11.473   5.660
  726    H    LEU  93           H        LEU  93   0.703   8.109   7.606
  727    HA   LEU  93           HA       LEU  93   0.076   5.391   7.511
  728   1HB   LEU  93          2HB       LEU  93   0.486   7.389   9.674
  729   2HB   LEU  93          1HB       LEU  93  -0.271   5.870  10.113
  730    HG   LEU  93           HG       LEU  93   2.328   5.920   8.609
  731   1HD1  LEU  93          1HD1      LEU  93   3.355   5.570  10.918
  732   2HD1  LEU  93          2HD1      LEU  93   1.866   6.271  11.554
  733   3HD1  LEU  93          3HD1      LEU  93   2.896   7.215  10.476
  734   1HD2  LEU  93          1HD2      LEU  93   2.439   3.770  10.161
  735   2HD2  LEU  93          2HD2      LEU  93   1.631   3.754   8.593
  736   3HD2  LEU  93          3HD2      LEU  93   0.684   3.930  10.072
  737    H    GLY  94           H        GLY  94  -1.895   8.156   8.534
  738   1HA   GLY  94          2HA       GLY  94  -4.142   6.620   9.332
  739   2HA   GLY  94          1HA       GLY  94  -4.144   8.339   8.970
  740    H    LEU  95           H        LEU  95  -3.195   8.059   6.261
  741    HA   LEU  95           HA       LEU  95  -5.638   7.811   4.919
  742   1HB   LEU  95          2HB       LEU  95  -3.544   9.038   4.169
  743   2HB   LEU  95          1HB       LEU  95  -2.929   7.483   3.644
  744    HG   LEU  95           HG       LEU  95  -5.263   7.442   2.342
  745   1HD1  LEU  95          1HD1      LEU  95  -5.479   9.895   3.418
  746   2HD1  LEU  95          2HD1      LEU  95  -6.202   9.437   1.877
  747   3HD1  LEU  95          3HD1      LEU  95  -4.660  10.293   1.908
  748   1HD2  LEU  95          1HD2      LEU  95  -2.996   7.200   1.392
  749   2HD2  LEU  95          2HD2      LEU  95  -2.842   8.957   1.373
  750   3HD2  LEU  95          3HD2      LEU  95  -4.065   8.167   0.375
  751    H    ILE  96           H        ILE  96  -2.949   5.528   5.262
  752    HA   ILE  96           HA       ILE  96  -4.048   3.529   3.579
  753    HB   ILE  96           HB       ILE  96  -2.102   3.128   5.854
  754   1HG1  ILE  96          2HG1      ILE  96  -1.346   4.883   4.276
  755   2HG1  ILE  96          1HG1      ILE  96  -0.329   3.447   4.214
  756   1HG2  ILE  96          1HG2      ILE  96  -1.410   1.150   4.673
  757   2HG2  ILE  96          2HG2      ILE  96  -2.504   1.516   3.339
  758   3HG2  ILE  96          3HG2      ILE  96  -3.156   1.086   4.921
  759   1HD1  ILE  96          1HD1      ILE  96  -1.417   2.733   2.177
  760   2HD1  ILE  96          2HD1      ILE  96  -0.793   4.372   1.996
  761   3HD1  ILE  96          3HD1      ILE  96  -2.516   4.109   2.258
  762    H    ALA  97           H        ALA  97  -4.050   3.961   7.107
  763    HA   ALA  97           HA       ALA  97  -5.442   1.612   7.749
  764   1HB   ALA  97          1HB       ALA  97  -4.196   3.322   9.264
  765   2HB   ALA  97          2HB       ALA  97  -5.577   2.430   9.904
  766   3HB   ALA  97          3HB       ALA  97  -5.775   4.100   9.370
  767    H    TYR  98           H        TYR  98  -6.569   4.809   6.807
  768    HA   TYR  98           HA       TYR  98  -9.302   4.393   7.433
  769   1HB   TYR  98          2HB       TYR  98  -8.286   6.633   7.108
  770   2HB   TYR  98          1HB       TYR  98  -8.102   6.279   5.393
  771    HD1  TYR  98           1HD      TYR  98 -10.281   5.692   4.103
  772    HD2  TYR  98           2HD      TYR  98 -10.222   7.667   7.872
  773    HE1  TYR  98           1HE      TYR  98 -12.545   6.554   3.681
  774    HE2  TYR  98           2HE      TYR  98 -12.486   8.534   7.460
  775    HH   TYR  98           HH       TYR  98 -14.468   7.928   6.086
  776    H    LEU  99           H        LEU  99  -7.471   4.130   4.398
  777    HA   LEU  99           HA       LEU  99  -9.596   3.443   2.725
  778   1HB   LEU  99          2HB       LEU  99  -6.655   3.161   2.653
  779   2HB   LEU  99          1HB       LEU  99  -7.549   2.084   1.597
  780    HG   LEU  99           HG       LEU  99  -6.862   4.100   0.412
  781   1HD1  LEU  99          1HD1      LEU  99  -8.779   4.261  -0.769
  782   2HD1  LEU  99          2HD1      LEU  99  -9.763   4.572   0.661
  783   3HD1  LEU  99          3HD1      LEU  99  -9.269   2.924   0.272
  784   1HD2  LEU  99          1HD2      LEU  99  -8.336   6.185   1.203
  785   2HD2  LEU  99          2HD2      LEU  99  -6.698   5.891   1.789
  786   3HD2  LEU  99          3HD2      LEU  99  -8.085   5.407   2.765
  787    H    SER 100           H        SER 100  -7.720   1.502   4.952
  788    HA   SER 100           HA       SER 100  -8.468  -1.044   4.016
  789   1HB   SER 100          2HB       SER 100  -7.475  -0.000   6.652
  790   2HB   SER 100          1HB       SER 100  -7.988  -1.680   6.497
  791    HG   SER 100           HG       SER 100  -5.956  -1.868   5.895
  792    H    HIS 101           H        HIS 101 -10.007   1.206   6.242
  793    HA   HIS 101           HA       HIS 101 -12.034  -0.626   7.087
  794   1HB   HIS 101          2HB       HIS 101 -11.160   1.528   8.264
  795   2HB   HIS 101          1HB       HIS 101 -12.325   2.358   7.238
  796    HD1  HIS 101           1HD      HIS 101 -14.484  -0.014   7.487
  797    HD2  HIS 101           2HD      HIS 101 -12.607   2.005  10.596
  798    HE1  HIS 101           1HE      HIS 101 -16.007  -0.270   9.471
  799    HE2  HIS 101           2HE      HIS 101 -14.809   0.886  11.362
  800    H    PHE 102           H        PHE 102 -11.965   2.121   4.831
  801    HA   PHE 102           HA       PHE 102 -14.660   1.951   4.043
  802   1HB   PHE 102          2HB       PHE 102 -12.383   3.518   3.363
  803   2HB   PHE 102          1HB       PHE 102 -13.073   2.906   1.864
  804    HD1  PHE 102           1HD      PHE 102 -14.757   4.107   0.867
  805    HD2  PHE 102           2HD      PHE 102 -14.145   4.501   5.060
  806    HE1  PHE 102           1HE      PHE 102 -16.490   5.852   0.953
  807    HE2  PHE 102           2HE      PHE 102 -15.876   6.245   5.153
  808    HZ   PHE 102           HZ       PHE 102 -17.051   6.923   3.098
  809    H    HIS 103           H        HIS 103 -11.729   0.457   2.755
  810    HA   HIS 103           HA       HIS 103 -12.949  -0.722   0.488
  811   1HB   HIS 103          2HB       HIS 103 -10.462  -0.357   0.887
  812   2HB   HIS 103          1HB       HIS 103 -10.514  -1.781   1.920
  813    HD1  HIS 103           1HD      HIS 103  -9.410  -1.019  -1.242
  814    HD2  HIS 103           2HD      HIS 103 -12.025  -3.931   0.155
  815    HE1  HIS 103           1HE      HIS 103  -9.431  -2.808  -3.009
  816    HE2  HIS 103           2HE      HIS 103 -11.081  -4.521  -2.179
  817    H    SER 104           H        SER 104 -12.249  -1.936   3.744
  818    HA   SER 104           HA       SER 104 -13.185  -4.566   3.293
  819   1HB   SER 104          2HB       SER 104 -12.602  -2.920   5.730
  820   2HB   SER 104          1HB       SER 104 -13.443  -4.461   5.905
  821    HG   SER 104           HG       SER 104 -11.694  -5.484   4.931
  822    H    ALA 105           H        ALA 105 -14.741  -1.664   4.609
  823    HA   ALA 105           HA       ALA 105 -17.198  -2.897   5.259
  824   1HB   ALA 105          1HB       ALA 105 -16.737   0.000   4.568
  825   2HB   ALA 105          2HB       ALA 105 -16.430  -0.712   6.151
  826   3HB   ALA 105          3HB       ALA 105 -18.071  -0.671   5.506
  827    H    PHE 106           H        PHE 106 -16.112  -1.131   2.379
  828    HA   PHE 106           HA       PHE 106 -18.593  -1.279   1.018
  829   1HB   PHE 106          2HB       PHE 106 -15.770  -0.692   0.171
  830   2HB   PHE 106          1HB       PHE 106 -17.057  -0.834  -1.022
  831    HD1  PHE 106           1HD      PHE 106 -16.971   0.716   2.371
  832    HD2  PHE 106           2HD      PHE 106 -17.543   1.259  -1.807
  833    HE1  PHE 106           1HE      PHE 106 -17.600   3.062   2.767
  834    HE2  PHE 106           2HE      PHE 106 -18.170   3.607  -1.423
  835    HZ   PHE 106           HZ       PHE 106 -18.200   4.512   0.867
  836    H    LYS 107           H        LYS 107 -15.881  -3.443   1.326
  837    HA   LYS 107           HA       LYS 107 -16.425  -5.079  -0.917
  838   1HB   LYS 107          2HB       LYS 107 -14.261  -5.068   0.276
  839   2HB   LYS 107          1HB       LYS 107 -15.038  -5.806   1.670
  840   1HG   LYS 107          2HG       LYS 107 -14.514  -7.779   0.813
  841   2HG   LYS 107          1HG       LYS 107 -15.687  -7.466  -0.468
  842   1HD   LYS 107          2HD       LYS 107 -14.082  -6.933  -1.992
  843   2HD   LYS 107          1HD       LYS 107 -12.997  -6.258  -0.774
  844   1HE   LYS 107          2HE       LYS 107 -13.040  -8.883  -0.065
  845   2HE   LYS 107          1HE       LYS 107 -13.204  -8.996  -1.816
  846   1HZ   LYS 107          1HZ       LYS 107 -10.866  -8.811  -0.580
  847   2HZ   LYS 107          2HZ       LYS 107 -11.167  -7.167  -0.840
  848   3HZ   LYS 107          3HZ       LYS 107 -11.126  -8.237  -2.150
  849    H    SER 108           H        SER 108 -17.610  -5.049   2.384
  850    HA   SER 108           HA       SER 108 -19.480  -7.206   1.660
  851   1HB   SER 108          2HB       SER 108 -17.541  -7.645   3.431
  852   2HB   SER 108          1HB       SER 108 -18.691  -6.861   4.516
  853    HG   SER 108           HG       SER 108 -20.131  -8.464   4.169
  854    H    MET 109           H        MET 109 -19.792  -4.303   1.499
  855    HA   MET 109           HA       MET 109 -22.382  -4.061   2.532
  856   1HB   MET 109          2HB       MET 109 -20.780  -3.870   4.624
  857   2HB   MET 109          1HB       MET 109 -20.586  -2.219   4.052
  858   1HG   MET 109          2HG       MET 109 -22.608  -1.608   4.761
  859   2HG   MET 109          1HG       MET 109 -23.366  -3.087   4.172
  860   1HE   MET 109          1HE       MET 109 -23.979  -4.836   5.191
  861   2HE   MET 109          2HE       MET 109 -24.318  -4.925   6.919
  862   3HE   MET 109          3HE       MET 109 -22.857  -5.669   6.267
  Start of MODEL   13
    1   1H    MET  -8          1HT       MET  -8   3.547 -25.374 -11.072
    2   2H    MET  -8          2HT       MET  -8   2.388 -24.301 -11.745
    3   3H    MET  -8          3HT       MET  -8   1.933 -25.381 -10.492
    4    HA   MET  -8           HA       MET  -8   3.623 -22.993 -10.362
    5   1HB   MET  -8          2HB       MET  -8   0.953 -23.413  -9.970
    6   2HB   MET  -8          1HB       MET  -8   1.574 -23.636  -8.340
    7   1HG   MET  -8          2HG       MET  -8   2.820 -21.398  -8.812
    8   2HG   MET  -8          1HG       MET  -8   1.589 -21.202 -10.057
    9   1HE   MET  -8          1HE       MET  -8   0.787 -19.020  -6.700
   10   2HE   MET  -8          2HE       MET  -8   1.139 -18.824  -8.418
   11   3HE   MET  -8          3HE       MET  -8   2.357 -19.509  -7.341
   12    H    GLY  -7           H        GLY  -7   4.199 -22.563  -7.959
   13   1HA   GLY  -7          2HA       GLY  -7   4.613 -24.609  -6.121
   14   2HA   GLY  -7          1HA       GLY  -7   6.031 -24.570  -7.158
   15    H    HIS  -6           H        HIS  -6   7.541 -23.784  -5.787
   16    HA   HIS  -6           HA       HIS  -6   7.052 -21.690  -3.929
   17   1HB   HIS  -6          2HB       HIS  -6   9.095 -23.538  -4.390
   18   2HB   HIS  -6          1HB       HIS  -6   9.849 -21.970  -4.653
   19    HD1  HIS  -6           1HD      HIS  -6  10.900 -21.123  -2.595
   20    HD2  HIS  -6           2HD      HIS  -6   7.494 -23.353  -1.767
   21    HE1  HIS  -6           1HE      HIS  -6  10.681 -21.109  -0.091
   22    HE2  HIS  -6           2HE      HIS  -6   8.663 -22.538   0.391
   23    H    HIS  -5           H        HIS  -5   8.310 -19.627  -3.929
   24    HA   HIS  -5           HA       HIS  -5   8.139 -18.404  -6.590
   25   1HB   HIS  -5          2HB       HIS  -5   8.175 -17.157  -3.833
   26   2HB   HIS  -5          1HB       HIS  -5   8.110 -16.247  -5.340
   27    HD1  HIS  -5           1HD      HIS  -5   6.088 -19.212  -4.050
   28    HD2  HIS  -5           2HD      HIS  -5   5.566 -15.419  -5.663
   29    HE1  HIS  -5           1HE      HIS  -5   3.601 -18.904  -4.251
   30    HE2  HIS  -5           2HE      HIS  -5   3.307 -16.567  -5.145
   31    H    HIS  -4           H        HIS  -4  10.257 -18.547  -3.742
   32    HA   HIS  -4           HA       HIS  -4  12.498 -18.253  -3.491
   33   1HB   HIS  -4          2HB       HIS  -4  12.170 -19.681  -5.869
   34   2HB   HIS  -4          1HB       HIS  -4  13.307 -18.398  -6.277
   35    HD1  HIS  -4           1HD      HIS  -4  15.281 -20.033  -6.481
   36    HD2  HIS  -4           2HD      HIS  -4  13.476 -20.033  -2.737
   37    HE1  HIS  -4           1HE      HIS  -4  16.848 -21.301  -4.979
   38    HE2  HIS  -4           2HE      HIS  -4  15.782 -21.204  -2.699
   39    H    HIS  -3           H        HIS  -3  10.796 -15.965  -4.004
   40    HA   HIS  -3           HA       HIS  -3  12.846 -14.018  -4.455
   41   1HB   HIS  -3          2HB       HIS  -3  10.976 -14.713  -6.621
   42   2HB   HIS  -3          1HB       HIS  -3  11.083 -12.991  -6.272
   43    HD1  HIS  -3           1HD      HIS  -3  13.392 -11.843  -6.679
   44    HD2  HIS  -3           2HD      HIS  -3  13.204 -15.823  -7.854
   45    HE1  HIS  -3           1HE      HIS  -3  15.417 -12.214  -8.123
   46    HE2  HIS  -3           2HE      HIS  -3  15.236 -14.607  -8.891
   47    H    HIS  -2           H        HIS  -2  12.230 -11.920  -3.809
   48    HA   HIS  -2           HA       HIS  -2   9.525 -11.374  -3.000
   49   1HB   HIS  -2          2HB       HIS  -2  11.264 -12.588  -1.119
   50   2HB   HIS  -2          1HB       HIS  -2  11.085 -10.906  -0.635
   51    HD1  HIS  -2           1HD      HIS  -2   9.730 -11.724   1.451
   52    HD2  HIS  -2           2HD      HIS  -2   7.962 -12.559  -2.215
   53    HE1  HIS  -2           1HE      HIS  -2   7.351 -12.346   1.978
   54    HE2  HIS  -2           2HE      HIS  -2   6.325 -12.930  -0.248
   55    H    HIS  -1           H        HIS  -1  10.230  -9.797  -4.690
   56    HA   HIS  -1           HA       HIS  -1  11.705  -7.548  -3.487
   57   1HB   HIS  -1          2HB       HIS  -1  11.928  -6.840  -5.978
   58   2HB   HIS  -1          1HB       HIS  -1  12.963  -8.122  -5.360
   59    HD1  HIS  -1           1HD      HIS  -1  13.190  -9.896  -7.049
   60    HD2  HIS  -1           2HD      HIS  -1   9.372  -8.258  -7.057
   61    HE1  HIS  -1           1HE      HIS  -1  11.915 -11.169  -8.804
   62    HE2  HIS  -1           2HE      HIS  -1   9.582 -10.222  -8.726
   63    H    MET   0           H        MET   0   8.789  -8.547  -5.119
   64    HA   MET   0           HA       MET   0   7.771  -5.792  -5.019
   65   1HB   MET   0          2HB       MET   0   6.967  -8.207  -6.623
   66   2HB   MET   0          1HB       MET   0   5.892  -6.827  -6.445
   67   1HG   MET   0          2HG       MET   0   8.466  -5.878  -7.194
   68   2HG   MET   0          1HG       MET   0   8.011  -7.191  -8.278
   69   1HE   MET   0          1HE       MET   0   6.949  -3.977  -6.575
   70   2HE   MET   0          2HE       MET   0   6.045  -3.099  -7.810
   71   3HE   MET   0          3HE       MET   0   7.783  -3.339  -7.991
   72    H    GLY   1           H        GLY   1   5.199  -5.908  -4.755
   73   1HA   GLY   1          2HA       GLY   1   3.400  -6.982  -3.541
   74   2HA   GLY   1          1HA       GLY   1   4.607  -7.674  -2.469
   75    H    SER   2           H        SER   2   6.083  -5.126  -2.285
   76    HA   SER   2           HA       SER   2   4.472  -3.957  -0.174
   77   1HB   SER   2          2HB       SER   2   7.334  -3.923  -0.947
   78   2HB   SER   2          1HB       SER   2   6.726  -2.470  -0.153
   79    HG   SER   2           HG       SER   2   6.274  -5.064   0.881
   80    H    ALA   3           H        ALA   3   5.711  -3.103  -3.344
   81    HA   ALA   3           HA       ALA   3   4.793  -0.363  -3.133
   82   1HB   ALA   3          1HB       ALA   3   6.859  -1.300  -4.444
   83   2HB   ALA   3          2HB       ALA   3   5.927   0.051  -5.088
   84   3HB   ALA   3          3HB       ALA   3   5.667  -1.576  -5.713
   85    H    GLY   4           H        GLY   4   3.882  -3.319  -4.859
   86   1HA   GLY   4          2HA       GLY   4   1.780  -2.172  -6.366
   87   2HA   GLY   4          1HA       GLY   4   1.982  -3.883  -6.017
   88    H    THR   5           H        THR   5   1.972  -3.209  -3.066
   89    HA   THR   5           HA       THR   5  -0.702  -3.789  -2.537
   90    HB   THR   5           HB       THR   5   0.118  -2.634  -0.205
   91    HG1  THR   5           1HG      THR   5   2.113  -2.013  -0.984
   92   1HG2  THR   5          1HG2      THR   5   1.289  -4.973   0.155
   93   2HG2  THR   5          2HG2      THR   5   0.422  -5.353  -1.333
   94   3HG2  THR   5          3HG2      THR   5  -0.464  -4.802   0.091
   95    H    GLN   6           H        GLN   6   0.983  -0.695  -1.963
   96    HA   GLN   6           HA       GLN   6  -1.346   0.760  -1.350
   97   1HB   GLN   6          2HB       GLN   6   1.331   1.265  -1.227
   98   2HB   GLN   6          1HB       GLN   6   0.855   2.279  -2.581
   99   1HG   GLN   6          2HG       GLN   6  -0.415   3.657  -1.288
  100   2HG   GLN   6          1HG       GLN   6  -0.777   2.399  -0.106
  101   1HE2  GLN   6          1HE2      GLN   6   2.168   3.907  -1.401
  102   2HE2  GLN   6          2HE2      GLN   6   2.875   4.247   0.137
  103    H    GLU   7           H        GLU   7   0.256   0.037  -4.376
  104    HA   GLU   7           HA       GLU   7  -1.020   1.948  -5.997
  105   1HB   GLU   7          2HB       GLU   7   0.233  -0.726  -6.577
  106   2HB   GLU   7          1HB       GLU   7  -0.504   0.239  -7.849
  107   1HG   GLU   7          2HG       GLU   7   1.604   1.376  -6.050
  108   2HG   GLU   7          1HG       GLU   7   2.019   0.433  -7.482
  109    H    GLU   8           H        GLU   8  -1.877  -1.429  -5.271
  110    HA   GLU   8           HA       GLU   8  -4.148  -1.536  -6.920
  111   1HB   GLU   8          2HB       GLU   8  -4.774  -3.522  -5.680
  112   2HB   GLU   8          1HB       GLU   8  -3.043  -3.531  -5.983
  113   1HG   GLU   8          2HG       GLU   8  -2.516  -3.350  -3.796
  114   2HG   GLU   8          1HG       GLU   8  -3.928  -2.365  -3.420
  115    H    LEU   9           H        LEU   9  -3.683  -0.308  -3.680
  116    HA   LEU   9           HA       LEU   9  -6.409  -0.186  -2.934
  117   1HB   LEU   9          2HB       LEU   9  -4.094   1.517  -2.009
  118   2HB   LEU   9          1HB       LEU   9  -5.656   1.410  -1.217
  119    HG   LEU   9           HG       LEU   9  -3.896  -1.001  -1.590
  120   1HD1  LEU   9          1HD1      LEU   9  -3.031   1.129  -0.195
  121   2HD1  LEU   9          2HD1      LEU   9  -2.663  -0.541   0.238
  122   3HD1  LEU   9          3HD1      LEU   9  -3.980   0.310   1.046
  123   1HD2  LEU   9          1HD2      LEU   9  -5.981  -1.771  -1.011
  124   2HD2  LEU   9          2HD2      LEU   9  -6.366  -0.339  -0.058
  125   3HD2  LEU   9          3HD2      LEU   9  -5.252  -1.548   0.579
  126    H    LEU  10           H        LEU  10  -4.217   2.252  -4.310
  127    HA   LEU  10           HA       LEU  10  -6.105   4.336  -4.434
  128   1HB   LEU  10          2HB       LEU  10  -3.684   4.689  -4.600
  129   2HB   LEU  10          1HB       LEU  10  -3.665   3.864  -6.147
  130    HG   LEU  10           HG       LEU  10  -5.438   5.765  -6.747
  131   1HD1  LEU  10          1HD1      LEU  10  -5.357   7.660  -5.531
  132   2HD1  LEU  10          2HD1      LEU  10  -3.653   7.459  -5.126
  133   3HD1  LEU  10          3HD1      LEU  10  -4.883   6.558  -4.239
  134   1HD2  LEU  10          1HD2      LEU  10  -3.788   6.693  -8.029
  135   2HD2  LEU  10          2HD2      LEU  10  -3.018   5.165  -7.603
  136   3HD2  LEU  10          3HD2      LEU  10  -2.595   6.639  -6.731
  137    H    ARG  11           H        ARG  11  -5.229   1.799  -6.718
  138    HA   ARG  11           HA       ARG  11  -6.626   2.736  -8.953
  139   1HB   ARG  11          2HB       ARG  11  -5.817  -0.014  -8.047
  140   2HB   ARG  11          1HB       ARG  11  -6.731   0.220  -9.531
  141   1HG   ARG  11          2HG       ARG  11  -4.455   1.997  -9.398
  142   2HG   ARG  11          1HG       ARG  11  -3.977   0.306  -9.235
  143   1HD   ARG  11          2HD       ARG  11  -5.031  -0.266 -11.296
  144   2HD   ARG  11          1HD       ARG  11  -5.796   1.318 -11.411
  145    HE   ARG  11           HE       ARG  11  -3.105   0.631 -12.153
  146   1HH1  ARG  11          1HH1      ARG  11  -5.229   3.221 -11.174
  147   2HH1  ARG  11          2HH1      ARG  11  -4.256   4.460 -11.893
  148   1HH2  ARG  11          1HH2      ARG  11  -1.823   2.258 -13.100
  149   2HH2  ARG  11          2HH2      ARG  11  -2.321   3.913 -12.986
  150    H    TRP  12           H        TRP  12  -7.686   0.720  -6.248
  151    HA   TRP  12           HA       TRP  12 -10.268   0.170  -7.271
  152   1HB   TRP  12          2HB       TRP  12  -9.175  -1.153  -5.479
  153   2HB   TRP  12          1HB       TRP  12  -9.361   0.215  -4.386
  154    HD1  TRP  12           HD       TRP  12 -11.464  -2.419  -6.244
  155    HE1  TRP  12           1HE      TRP  12 -13.727  -2.644  -5.038
  156    HE3  TRP  12           3HE      TRP  12 -10.968   1.388  -2.866
  157    HZ2  TRP  12           2HZ      TRP  12 -15.117  -1.377  -2.933
  158    HZ3  TRP  12           3HZ      TRP  12 -12.810   1.815  -1.293
  159    HH2  TRP  12           HH       TRP  12 -14.840   0.461  -1.326
  160    H    CYS  13           H        CYS  13  -8.967   2.751  -5.266
  161    HA   CYS  13           HA       CYS  13 -11.466   3.879  -4.541
  162   1HB   CYS  13          2HB       CYS  13  -8.619   4.695  -4.382
  163   2HB   CYS  13          1HB       CYS  13  -9.813   5.989  -4.321
  164    HG   CYS  13           HG       CYS  13 -10.819   4.825  -2.185
  165    H    GLN  14           H        GLN  14  -9.139   4.654  -7.119
  166    HA   GLN  14           HA       GLN  14 -10.602   6.850  -8.138
  167   1HB   GLN  14          2HB       GLN  14  -9.166   6.616 -10.136
  168   2HB   GLN  14          1HB       GLN  14  -8.248   6.613  -8.636
  169   1HG   GLN  14          2HG       GLN  14  -7.638   4.426  -8.850
  170   2HG   GLN  14          1HG       GLN  14  -9.064   4.002  -9.793
  171   1HE2  GLN  14          1HE2      GLN  14  -7.935   2.996 -11.416
  172   2HE2  GLN  14          2HE2      GLN  14  -6.931   3.849 -12.534
  173    H    GLU  15           H        GLU  15 -10.673   3.402  -8.811
  174    HA   GLU  15           HA       GLU  15 -12.255   3.536 -11.153
  175   1HB   GLU  15          2HB       GLU  15 -11.092   1.504  -9.525
  176   2HB   GLU  15          1HB       GLU  15 -12.790   1.108  -9.757
  177   1HG   GLU  15          2HG       GLU  15 -12.555   0.790 -11.999
  178   2HG   GLU  15          1HG       GLU  15 -11.212   1.923 -12.132
  179    H    GLN  16           H        GLN  16 -13.077   3.057  -7.737
  180    HA   GLN  16           HA       GLN  16 -15.854   2.748  -8.120
  181   1HB   GLN  16          2HB       GLN  16 -14.332   3.717  -5.695
  182   2HB   GLN  16          1HB       GLN  16 -16.026   3.243  -5.698
  183   1HG   GLN  16          2HG       GLN  16 -14.179   1.240  -6.786
  184   2HG   GLN  16          1HG       GLN  16 -13.967   1.606  -5.074
  185   1HE2  GLN  16          1HE2      GLN  16 -15.635  -0.230  -7.287
  186   2HE2  GLN  16          2HE2      GLN  16 -16.932  -0.761  -6.277
  187    H    THR  17           H        THR  17 -13.819   5.580  -7.707
  188    HA   THR  17           HA       THR  17 -16.105   7.351  -7.487
  189    HB   THR  17           HB       THR  17 -14.005   7.763  -6.218
  190    HG1  THR  17           1HG      THR  17 -14.973   9.687  -8.034
  191   1HG2  THR  17          1HG2      THR  17 -12.028   8.504  -7.191
  192   2HG2  THR  17          2HG2      THR  17 -12.780   8.726  -8.772
  193   3HG2  THR  17          3HG2      THR  17 -12.492   7.100  -8.152
  194    H    ALA  18           H        ALA  18 -15.006   5.728 -10.018
  195    HA   ALA  18           HA       ALA  18 -14.783   7.886 -11.936
  196   1HB   ALA  18          1HB       ALA  18 -14.732   4.889 -12.215
  197   2HB   ALA  18          2HB       ALA  18 -13.381   6.014 -12.348
  198   3HB   ALA  18          3HB       ALA  18 -14.635   5.993 -13.587
  199    H    GLY  19           H        GLY  19 -16.430   8.769 -13.003
  200   1HA   GLY  19          2HA       GLY  19 -18.458   7.870 -14.384
  201   2HA   GLY  19          1HA       GLY  19 -19.069   7.507 -12.776
  202    H    TYR  20           H        TYR  20 -17.637  10.006 -11.792
  203    HA   TYR  20           HA       TYR  20 -19.872  11.777 -12.216
  204   1HB   TYR  20          2HB       TYR  20 -17.331  12.253 -10.646
  205   2HB   TYR  20          1HB       TYR  20 -18.810  13.202 -10.552
  206    HD1  TYR  20           1HD      TYR  20 -20.574  12.557  -9.119
  207    HD2  TYR  20           2HD      TYR  20 -17.368   9.861  -9.852
  208    HE1  TYR  20           1HE      TYR  20 -21.402  11.096  -7.325
  209    HE2  TYR  20           2HE      TYR  20 -18.187   8.391  -8.059
  210    HH   TYR  20           HH       TYR  20 -20.385   7.936  -6.911
  211    HA   PRO  21           HA       PRO  21 -18.021  14.077 -15.524
  212   1HB   PRO  21          2HB       PRO  21 -19.540  16.312 -15.417
  213   2HB   PRO  21          1HB       PRO  21 -20.161  14.769 -16.016
  214   1HG   PRO  21          2HG       PRO  21 -20.502  16.030 -13.323
  215   2HG   PRO  21          1HG       PRO  21 -21.705  15.203 -14.332
  216   1HD   PRO  21          2HD       PRO  21 -20.463  14.004 -12.234
  217   2HD   PRO  21          1HD       PRO  21 -21.008  13.114 -13.670
  218    H    GLY  22           H        GLY  22 -16.248  14.143 -13.575
  219   1HA   GLY  22          2HA       GLY  22 -14.678  16.265 -13.784
  220   2HA   GLY  22          1HA       GLY  22 -15.867  16.881 -12.644
  221    H    VAL  23           H        VAL  23 -14.622  13.582 -12.839
  222    HA   VAL  23           HA       VAL  23 -13.497  13.948 -10.144
  223    HB   VAL  23           HB       VAL  23 -15.395  12.385 -10.204
  224   1HG1  VAL  23          1HG1      VAL  23 -14.970  11.641 -12.569
  225   2HG1  VAL  23          2HG1      VAL  23 -15.360  10.351 -11.430
  226   3HG1  VAL  23          3HG1      VAL  23 -13.690  10.607 -11.936
  227   1HG2  VAL  23          1HG2      VAL  23 -13.764  10.298  -9.518
  228   2HG2  VAL  23          2HG2      VAL  23 -14.213  11.634  -8.457
  229   3HG2  VAL  23          3HG2      VAL  23 -12.690  11.686  -9.343
  230    H    HIS  24           H        HIS  24 -11.377  13.873 -10.020
  231    HA   HIS  24           HA       HIS  24  -9.877  12.063 -11.762
  232   1HB   HIS  24          2HB       HIS  24  -9.153  14.976 -11.369
  233   2HB   HIS  24          1HB       HIS  24  -8.221  13.791 -12.281
  234    HD1  HIS  24           1HD      HIS  24  -9.299  12.949 -14.545
  235    HD2  HIS  24           2HD      HIS  24 -11.217  16.168 -12.748
  236    HE1  HIS  24           1HE      HIS  24 -10.794  13.918 -16.321
  237    HE2  HIS  24           2HE      HIS  24 -12.010  15.809 -15.184
  238    H    VAL  25           H        VAL  25  -9.365  10.730 -10.065
  239    HA   VAL  25           HA       VAL  25  -7.813  11.932  -7.867
  240    HB   VAL  25           HB       VAL  25  -9.217   9.261  -7.812
  241   1HG1  VAL  25          1HG1      VAL  25  -7.223   9.774  -6.284
  242   2HG1  VAL  25          2HG1      VAL  25  -8.703   9.173  -5.534
  243   3HG1  VAL  25          3HG1      VAL  25  -8.312  10.892  -5.464
  244   1HG2  VAL  25          1HG2      VAL  25 -11.083  10.535  -7.784
  245   2HG2  VAL  25          2HG2      VAL  25 -10.214  11.990  -7.298
  246   3HG2  VAL  25          3HG2      VAL  25 -10.634  10.771  -6.096
  247    H    SER  26           H        SER  26  -5.709  11.715  -8.268
  248    HA   SER  26           HA       SER  26  -4.644   9.056  -8.742
  249   1HB   SER  26          2HB       SER  26  -4.916   9.826 -11.018
  250   2HB   SER  26          1HB       SER  26  -4.135  11.361 -10.636
  251    HG   SER  26           HG       SER  26  -2.858   8.842 -10.383
  252    H    ASP  27           H        ASP  27  -4.638  11.235  -6.664
  253    HA   ASP  27           HA       ASP  27  -1.742  11.237  -6.238
  254   1HB   ASP  27          2HB       ASP  27  -2.975  13.512  -7.071
  255   2HB   ASP  27          1HB       ASP  27  -3.110  13.685  -5.324
  256    H    LEU  28           H        LEU  28  -1.154  11.686  -3.979
  257    HA   LEU  28           HA       LEU  28  -3.209  10.631  -2.157
  258   1HB   LEU  28          2HB       LEU  28  -0.206  10.581  -1.864
  259   2HB   LEU  28          1HB       LEU  28  -1.358   9.864  -0.755
  260    HG   LEU  28           HG       LEU  28  -1.835   8.826  -3.383
  261   1HD1  LEU  28          1HD1      LEU  28   0.871   7.989  -2.529
  262   2HD1  LEU  28          2HD1      LEU  28   0.732   9.546  -3.345
  263   3HD1  LEU  28          3HD1      LEU  28   0.164   8.080  -4.143
  264   1HD2  LEU  28          1HD2      LEU  28  -0.570   7.132  -1.334
  265   2HD2  LEU  28          2HD2      LEU  28  -2.063   6.897  -2.242
  266   3HD2  LEU  28          3HD2      LEU  28  -2.044   7.961  -0.837
  267    H    SER  29           H        SER  29  -3.325  13.337  -2.720
  268    HA   SER  29           HA       SER  29  -3.119  14.442  -0.102
  269   1HB   SER  29          2HB       SER  29  -1.183  15.405  -2.213
  270   2HB   SER  29          1HB       SER  29  -1.591  16.343  -0.777
  271    HG   SER  29           HG       SER  29  -0.128  15.208   0.193
  272    H    SER  30           H        SER  30  -2.759  16.118  -3.206
  273    HA   SER  30           HA       SER  30  -4.893  17.893  -2.683
  274   1HB   SER  30          2HB       SER  30  -3.341  17.234  -5.183
  275   2HB   SER  30          1HB       SER  30  -4.640  18.427  -5.176
  276    HG   SER  30           HG       SER  30  -2.402  18.504  -3.436
  277    H    SER  31           H        SER  31  -4.679  14.865  -4.436
  278    HA   SER  31           HA       SER  31  -7.065  14.915  -5.847
  279   1HB   SER  31          2HB       SER  31  -5.236  12.827  -4.860
  280   2HB   SER  31          1HB       SER  31  -6.886  12.282  -5.153
  281    HG   SER  31           HG       SER  31  -6.605  13.417  -7.261
  282    H    TRP  32           H        TRP  32  -6.540  14.588  -2.443
  283    HA   TRP  32           HA       TRP  32  -9.364  13.864  -2.047
  284   1HB   TRP  32          2HB       TRP  32  -7.137  13.746  -0.008
  285   2HB   TRP  32          1HB       TRP  32  -8.760  13.082   0.150
  286    HD1  TRP  32           HD       TRP  32  -5.506  12.493  -1.848
  287    HE1  TRP  32           1HE      TRP  32  -5.428  10.014  -2.537
  288    HE3  TRP  32           3HE      TRP  32 -10.113  11.040  -0.175
  289    HZ2  TRP  32           2HZ      TRP  32  -7.099   7.743  -2.389
  290    HZ3  TRP  32           3HZ      TRP  32 -10.797   8.698  -0.487
  291    HH2  TRP  32           HH       TRP  32  -9.320   7.084  -1.572
  292    H    ALA  33           H        ALA  33  -7.708  16.579  -2.360
  293    HA   ALA  33           HA       ALA  33  -8.013  18.096  -0.070
  294   1HB   ALA  33          1HB       ALA  33  -7.923  18.742  -2.972
  295   2HB   ALA  33          2HB       ALA  33  -6.808  19.185  -1.680
  296   3HB   ALA  33          3HB       ALA  33  -8.357  20.014  -1.830
  297    H    ASP  34           H        ASP  34 -10.287  18.061  -2.830
  298    HA   ASP  34           HA       ASP  34 -12.324  19.352  -1.258
  299   1HB   ASP  34          2HB       ASP  34 -13.727  19.002  -3.323
  300   2HB   ASP  34          1HB       ASP  34 -12.248  19.923  -3.576
  301    H    GLY  35           H        GLY  35 -11.258  16.218  -1.323
  302   1HA   GLY  35          2HA       GLY  35 -12.137  14.277  -0.474
  303   2HA   GLY  35          1HA       GLY  35 -13.456  15.245   0.161
  304    H    LEU  36           H        LEU  36 -12.580  14.942  -3.235
  305    HA   LEU  36           HA       LEU  36 -15.241  14.374  -4.015
  306   1HB   LEU  36          2HB       LEU  36 -12.725  14.918  -5.286
  307   2HB   LEU  36          1HB       LEU  36 -13.485  13.549  -6.070
  308    HG   LEU  36           HG       LEU  36 -15.284  15.826  -5.598
  309   1HD1  LEU  36          1HD1      LEU  36 -13.803  17.375  -6.267
  310   2HD1  LEU  36          2HD1      LEU  36 -14.121  16.719  -7.872
  311   3HD1  LEU  36          3HD1      LEU  36 -12.708  16.181  -6.963
  312   1HD2  LEU  36          1HD2      LEU  36 -16.313  15.043  -7.454
  313   2HD2  LEU  36          2HD2      LEU  36 -15.419  13.578  -7.049
  314   3HD2  LEU  36          3HD2      LEU  36 -14.796  14.681  -8.277
  315    H    ALA  37           H        ALA  37 -12.387  12.351  -3.537
  316    HA   ALA  37           HA       ALA  37 -13.458   9.967  -4.590
  317   1HB   ALA  37          1HB       ALA  37 -11.623   8.849  -3.538
  318   2HB   ALA  37          2HB       ALA  37 -11.378  10.191  -2.421
  319   3HB   ALA  37          3HB       ALA  37 -11.044  10.403  -4.140
  320    H    LEU  38           H        LEU  38 -13.320  11.196  -1.254
  321    HA   LEU  38           HA       LEU  38 -14.531   8.982  -0.030
  322   1HB   LEU  38          2HB       LEU  38 -13.836  11.718   0.702
  323   2HB   LEU  38          1HB       LEU  38 -15.283  11.150   1.513
  324    HG   LEU  38           HG       LEU  38 -14.070   9.261   2.442
  325   1HD1  LEU  38          1HD1      LEU  38 -12.514   8.766   0.705
  326   2HD1  LEU  38          2HD1      LEU  38 -11.591   9.164   2.154
  327   3HD1  LEU  38          3HD1      LEU  38 -11.753  10.349   0.858
  328   1HD2  LEU  38          1HD2      LEU  38 -13.148  12.041   2.868
  329   2HD2  LEU  38          2HD2      LEU  38 -12.183  10.754   3.592
  330   3HD2  LEU  38          3HD2      LEU  38 -13.894  10.906   3.992
  331    H    CYS  39           H        CYS  39 -15.942  11.997  -1.267
  332    HA   CYS  39           HA       CYS  39 -18.602  11.384  -0.513
  333   1HB   CYS  39          2HB       CYS  39 -17.638  13.225  -2.711
  334   2HB   CYS  39          1HB       CYS  39 -19.247  13.221  -1.997
  335    HG   CYS  39           HG       CYS  39 -18.345  14.320   0.090
  336    H    ALA  40           H        ALA  40 -16.787  10.927  -3.516
  337    HA   ALA  40           HA       ALA  40 -18.874  10.037  -5.140
  338   1HB   ALA  40          1HB       ALA  40 -17.062  10.347  -6.442
  339   2HB   ALA  40          2HB       ALA  40 -16.789   8.634  -6.126
  340   3HB   ALA  40          3HB       ALA  40 -15.934   9.852  -5.178
  341    H    LEU  41           H        LEU  41 -16.671   8.164  -3.066
  342    HA   LEU  41           HA       LEU  41 -17.660   5.622  -3.694
  343   1HB   LEU  41          2HB       LEU  41 -16.420   6.624  -1.131
  344   2HB   LEU  41          1HB       LEU  41 -16.691   4.934  -1.508
  345    HG   LEU  41           HG       LEU  41 -15.026   6.648  -3.320
  346   1HD1  LEU  41          1HD1      LEU  41 -14.331   5.605  -0.638
  347   2HD1  LEU  41          2HD1      LEU  41 -13.733   7.027  -1.494
  348   3HD1  LEU  41          3HD1      LEU  41 -13.130   5.424  -1.918
  349   1HD2  LEU  41          1HD2      LEU  41 -15.753   4.448  -4.113
  350   2HD2  LEU  41          2HD2      LEU  41 -15.026   3.698  -2.692
  351   3HD2  LEU  41          3HD2      LEU  41 -14.005   4.509  -3.881
  352    H    VAL  42           H        VAL  42 -18.493   7.749  -0.955
  353    HA   VAL  42           HA       VAL  42 -20.449   6.111   0.182
  354    HB   VAL  42           HB       VAL  42 -20.471   9.131   0.187
  355   1HG1  VAL  42          1HG1      VAL  42 -22.503   8.280   1.079
  356   2HG1  VAL  42          2HG1      VAL  42 -21.504   8.758   2.449
  357   3HG1  VAL  42          3HG1      VAL  42 -21.654   7.055   2.019
  358   1HG2  VAL  42          1HG2      VAL  42 -18.380   7.543   1.019
  359   2HG2  VAL  42          2HG2      VAL  42 -19.294   7.811   2.503
  360   3HG2  VAL  42          3HG2      VAL  42 -18.711   9.186   1.565
  361    H    TYR  43           H        TYR  43 -20.710   8.604  -2.316
  362    HA   TYR  43           HA       TYR  43 -23.504   8.614  -2.555
  363   1HB   TYR  43          2HB       TYR  43 -22.085  10.351  -3.540
  364   2HB   TYR  43          1HB       TYR  43 -21.409   9.177  -4.664
  365    HD1  TYR  43           1HD      TYR  43 -24.389  11.149  -3.809
  366    HD2  TYR  43           2HD      TYR  43 -22.646   8.458  -6.604
  367    HE1  TYR  43           1HE      TYR  43 -26.181  11.664  -5.414
  368    HE2  TYR  43           2HE      TYR  43 -24.432   8.966  -8.217
  369    HH   TYR  43           HH       TYR  43 -26.029  10.860  -8.661
  370    H    ARG  44           H        ARG  44 -21.037   6.579  -4.037
  371    HA   ARG  44           HA       ARG  44 -22.683   5.298  -5.923
  372   1HB   ARG  44          2HB       ARG  44 -20.026   5.236  -5.346
  373   2HB   ARG  44          1HB       ARG  44 -20.534   3.673  -4.721
  374   1HG   ARG  44          2HG       ARG  44 -21.561   3.191  -6.932
  375   2HG   ARG  44          1HG       ARG  44 -20.868   4.698  -7.530
  376   1HD   ARG  44          2HD       ARG  44 -18.995   3.598  -7.995
  377   2HD   ARG  44          1HD       ARG  44 -18.771   3.321  -6.269
  378    HE   ARG  44           HE       ARG  44 -19.234   1.131  -6.657
  379   1HH1  ARG  44          1HH1      ARG  44 -20.775   3.012  -9.160
  380   2HH1  ARG  44          2HH1      ARG  44 -21.377   1.626 -10.004
  381   1HH2  ARG  44          1HH2      ARG  44 -20.024  -0.694  -7.767
  382   2HH2  ARG  44          2HH2      ARG  44 -20.950  -0.478  -9.215
  383    H    LEU  45           H        LEU  45 -21.948   4.558  -2.546
  384    HA   LEU  45           HA       LEU  45 -23.481   2.122  -2.562
  385   1HB   LEU  45          2HB       LEU  45 -21.992   3.697  -0.512
  386   2HB   LEU  45          1HB       LEU  45 -23.180   2.529   0.032
  387    HG   LEU  45           HG       LEU  45 -20.854   1.652  -0.024
  388   1HD1  LEU  45          1HD1      LEU  45 -23.150   0.376  -0.590
  389   2HD1  LEU  45          2HD1      LEU  45 -21.584  -0.429  -0.491
  390   3HD1  LEU  45          3HD1      LEU  45 -22.240   0.036  -2.062
  391   1HD2  LEU  45          1HD2      LEU  45 -19.761   1.205  -2.101
  392   2HD2  LEU  45          2HD2      LEU  45 -20.182   2.917  -2.066
  393   3HD2  LEU  45          3HD2      LEU  45 -21.149   1.791  -3.018
  394    H    GLN  46           H        GLN  46 -23.981   5.461  -1.594
  395    HA   GLN  46           HA       GLN  46 -26.851   4.952  -1.427
  396   1HB   GLN  46          2HB       GLN  46 -25.116   5.704   0.835
  397   2HB   GLN  46          1HB       GLN  46 -26.563   6.689   0.655
  398   1HG   GLN  46          2HG       GLN  46 -27.984   4.827   0.904
  399   2HG   GLN  46          1HG       GLN  46 -26.653   3.689   0.701
  400   1HE2  GLN  46          1HE2      GLN  46 -28.669   4.982   2.902
  401   2HE2  GLN  46          2HE2      GLN  46 -27.712   4.813   4.330
  402    HA   PRO  47           HA       PRO  47 -25.708   8.805  -3.769
  403   1HB   PRO  47          2HB       PRO  47 -27.473   8.374  -5.795
  404   2HB   PRO  47          1HB       PRO  47 -25.830   7.723  -5.786
  405   1HG   PRO  47          2HG       PRO  47 -28.406   6.378  -5.062
  406   2HG   PRO  47          1HG       PRO  47 -27.047   5.754  -6.016
  407   1HD   PRO  47          2HD       PRO  47 -27.411   5.094  -3.423
  408   2HD   PRO  47          1HD       PRO  47 -25.795   5.257  -4.141
  409    H    GLY  48           H        GLY  48 -28.748   7.381  -2.766
  410   1HA   GLY  48          2HA       GLY  48 -30.339   9.714  -3.184
  411   2HA   GLY  48          1HA       GLY  48 -30.779   8.317  -2.212
  412    H    LEU  49           H        LEU  49 -28.322   8.586  -0.568
  413    HA   LEU  49           HA       LEU  49 -29.233  10.858   1.072
  414   1HB   LEU  49          2HB       LEU  49 -28.271   8.126   1.741
  415   2HB   LEU  49          1HB       LEU  49 -27.865   9.422   2.851
  416    HG   LEU  49           HG       LEU  49 -30.706   9.213   2.021
  417   1HD1  LEU  49          1HD1      LEU  49 -29.663   7.397   4.165
  418   2HD1  LEU  49          2HD1      LEU  49 -29.812   6.857   2.492
  419   3HD1  LEU  49          3HD1      LEU  49 -31.240   7.394   3.376
  420   1HD2  LEU  49          1HD2      LEU  49 -31.084  10.347   3.935
  421   2HD2  LEU  49          2HD2      LEU  49 -29.380  10.773   3.766
  422   3HD2  LEU  49          3HD2      LEU  49 -29.859   9.453   4.835
  423    H    LEU  50           H        LEU  50 -27.364  11.173  -1.069
  424    HA   LEU  50           HA       LEU  50 -25.167  12.317   0.454
  425   1HB   LEU  50          2HB       LEU  50 -24.881   9.880  -0.979
  426   2HB   LEU  50          1HB       LEU  50 -24.002  11.113  -1.861
  427    HG   LEU  50           HG       LEU  50 -22.608   9.863  -0.230
  428   1HD1  LEU  50          1HD1      LEU  50 -22.268  12.307  -0.963
  429   2HD1  LEU  50          2HD1      LEU  50 -21.369  11.711   0.431
  430   3HD1  LEU  50          3HD1      LEU  50 -22.801  12.711   0.668
  431   1HD2  LEU  50          1HD2      LEU  50 -24.432   9.612   1.466
  432   2HD2  LEU  50          2HD2      LEU  50 -24.197  11.311   1.879
  433   3HD2  LEU  50          3HD2      LEU  50 -22.886  10.155   2.119
  434    H    GLU  51           H        GLU  51 -23.782  13.727  -0.926
  435    HA   GLU  51           HA       GLU  51 -24.922  14.601  -3.441
  436   1HB   GLU  51          2HB       GLU  51 -24.738  16.507  -1.098
  437   2HB   GLU  51          1HB       GLU  51 -25.222  16.923  -2.736
  438   1HG   GLU  51          2HG       GLU  51 -27.163  15.418  -2.509
  439   2HG   GLU  51          1HG       GLU  51 -26.694  15.112  -0.838
  440    HA   PRO  52           HA       PRO  52 -20.232  14.785  -2.869
  441   1HB   PRO  52          2HB       PRO  52 -19.796  13.645  -5.353
  442   2HB   PRO  52          1HB       PRO  52 -19.822  12.757  -3.827
  443   1HG   PRO  52          2HG       PRO  52 -21.988  13.092  -5.863
  444   2HG   PRO  52          1HG       PRO  52 -21.525  11.647  -4.944
  445   1HD   PRO  52          2HD       PRO  52 -23.667  13.093  -4.257
  446   2HD   PRO  52          1HD       PRO  52 -22.614  12.372  -3.020
  447    H    SER  53           H        SER  53 -22.503  15.657  -5.385
  448    HA   SER  53           HA       SER  53 -20.769  17.229  -6.957
  449   1HB   SER  53          2HB       SER  53 -23.192  16.375  -7.446
  450   2HB   SER  53          1HB       SER  53 -23.685  17.882  -6.672
  451    HG   SER  53           HG       SER  53 -21.809  17.787  -8.790
  452    H    GLU  54           H        GLU  54 -22.829  17.982  -4.197
  453    HA   GLU  54           HA       GLU  54 -22.314  20.785  -4.243
  454   1HB   GLU  54          2HB       GLU  54 -23.518  18.895  -2.247
  455   2HB   GLU  54          1HB       GLU  54 -23.167  20.556  -1.794
  456   1HG   GLU  54          2HG       GLU  54 -24.602  20.363  -4.310
  457   2HG   GLU  54          1HG       GLU  54 -25.479  19.638  -2.964
  458    H    LEU  55           H        LEU  55 -21.091  18.124  -2.217
  459    HA   LEU  55           HA       LEU  55 -19.303  19.704  -0.713
  460   1HB   LEU  55          2HB       LEU  55 -19.015  16.769  -1.330
  461   2HB   LEU  55          1HB       LEU  55 -18.353  17.635   0.044
  462    HG   LEU  55           HG       LEU  55 -21.316  17.355  -0.415
  463   1HD1  LEU  55          1HD1      LEU  55 -20.141  15.142  -0.205
  464   2HD1  LEU  55          2HD1      LEU  55 -21.354  15.478   1.030
  465   3HD1  LEU  55          3HD1      LEU  55 -19.640  15.649   1.408
  466   1HD2  LEU  55          1HD2      LEU  55 -21.216  18.963   1.163
  467   2HD2  LEU  55          2HD2      LEU  55 -19.577  18.534   1.653
  468   3HD2  LEU  55          3HD2      LEU  55 -20.950  17.593   2.241
  469    H    GLN  56           H        GLN  56 -19.172  18.676  -3.936
  470    HA   GLN  56           HA       GLN  56 -16.419  18.279  -4.290
  471   1HB   GLN  56          2HB       GLN  56 -18.640  18.096  -5.872
  472   2HB   GLN  56          1HB       GLN  56 -17.843  19.511  -6.542
  473   1HG   GLN  56          2HG       GLN  56 -15.810  17.647  -6.216
  474   2HG   GLN  56          1HG       GLN  56 -17.184  16.719  -6.818
  475   1HE2  GLN  56          1HE2      GLN  56 -16.691  16.378  -8.887
  476   2HE2  GLN  56          2HE2      GLN  56 -16.327  17.611 -10.041
  477    H    GLY  57           H        GLY  57 -18.387  21.205  -4.438
  478   1HA   GLY  57          2HA       GLY  57 -15.887  22.743  -4.764
  479   2HA   GLY  57          1HA       GLY  57 -17.458  23.289  -5.333
  480    H    LEU  58           H        LEU  58 -18.292  21.991  -2.527
  481    HA   LEU  58           HA       LEU  58 -18.716  24.407  -1.203
  482   1HB   LEU  58          2HB       LEU  58 -19.000  21.565  -0.592
  483   2HB   LEU  58          1HB       LEU  58 -18.660  22.539   0.823
  484    HG   LEU  58           HG       LEU  58 -20.710  23.791  -0.769
  485   1HD1  LEU  58          1HD1      LEU  58 -21.777  21.987  -1.542
  486   2HD1  LEU  58          2HD1      LEU  58 -22.280  21.743   0.131
  487   3HD1  LEU  58          3HD1      LEU  58 -20.873  20.888  -0.502
  488   1HD2  LEU  58          1HD2      LEU  58 -20.596  24.445   1.443
  489   2HD2  LEU  58          2HD2      LEU  58 -20.370  22.797   2.028
  490   3HD2  LEU  58          3HD2      LEU  58 -21.956  23.321   1.461
  491    H    GLY  59           H        GLY  59 -15.962  22.263  -1.213
  492   1HA   GLY  59          2HA       GLY  59 -13.927  23.754  -0.609
  493   2HA   GLY  59          1HA       GLY  59 -14.720  23.818   0.956
  494    H    ALA  60           H        ALA  60 -12.259  22.923   1.049
  495    HA   ALA  60           HA       ALA  60 -12.050  20.088   0.647
  496   1HB   ALA  60          1HB       ALA  60 -10.282  22.266   1.376
  497   2HB   ALA  60          2HB       ALA  60  -9.921  20.739   0.573
  498   3HB   ALA  60          3HB       ALA  60  -9.982  20.817   2.335
  499    H    LEU  61           H        LEU  61 -11.807  22.073   3.607
  500    HA   LEU  61           HA       LEU  61 -12.111  19.910   5.379
  501   1HB   LEU  61          2HB       LEU  61 -11.388  22.483   5.671
  502   2HB   LEU  61          1HB       LEU  61 -13.040  22.587   6.248
  503    HG   LEU  61           HG       LEU  61 -11.607  22.261   8.137
  504   1HD1  LEU  61          1HD1      LEU  61 -12.864  19.588   7.557
  505   2HD1  LEU  61          2HD1      LEU  61 -13.784  21.017   8.029
  506   3HD1  LEU  61          3HD1      LEU  61 -12.585  20.337   9.129
  507   1HD2  LEU  61          1HD2      LEU  61  -9.619  21.376   7.367
  508   2HD2  LEU  61          2HD2      LEU  61 -10.420  20.100   6.451
  509   3HD2  LEU  61          3HD2      LEU  61 -10.329  19.998   8.210
  510    H    GLU  62           H        GLU  62 -14.445  22.107   3.917
  511    HA   GLU  62           HA       GLU  62 -16.672  21.336   5.470
  512   1HB   GLU  62          2HB       GLU  62 -16.229  23.285   3.650
  513   2HB   GLU  62          1HB       GLU  62 -17.161  22.161   2.672
  514   1HG   GLU  62          2HG       GLU  62 -18.650  23.752   3.648
  515   2HG   GLU  62          1HG       GLU  62 -18.924  22.183   4.405
  516    H    ALA  63           H        ALA  63 -15.514  20.245   2.290
  517    HA   ALA  63           HA       ALA  63 -17.605  18.381   1.865
  518   1HB   ALA  63          1HB       ALA  63 -16.064  19.366   0.125
  519   2HB   ALA  63          2HB       ALA  63 -16.368  17.634  -0.006
  520   3HB   ALA  63          3HB       ALA  63 -14.848  18.215   0.676
  521    H    THR  64           H        THR  64 -14.320  18.058   3.157
  522    HA   THR  64           HA       THR  64 -14.409  15.248   3.483
  523    HB   THR  64           HB       THR  64 -12.723  17.210   5.042
  524    HG1  THR  64           1HG      THR  64 -12.390  17.620   2.884
  525   1HG2  THR  64          1HG2      THR  64 -11.106  15.144   4.578
  526   2HG2  THR  64          2HG2      THR  64 -12.644  14.289   4.662
  527   3HG2  THR  64          3HG2      THR  64 -12.109  15.278   6.021
  528    H    ALA  65           H        ALA  65 -14.852  17.910   5.806
  529    HA   ALA  65           HA       ALA  65 -15.396  16.309   8.042
  530   1HB   ALA  65          1HB       ALA  65 -14.860  18.801   7.955
  531   2HB   ALA  65          2HB       ALA  65 -16.057  18.271   9.136
  532   3HB   ALA  65          3HB       ALA  65 -16.578  19.038   7.635
  533    H    TRP  66           H        TRP  66 -17.576  17.750   5.642
  534    HA   TRP  66           HA       TRP  66 -19.975  16.912   6.887
  535   1HB   TRP  66          2HB       TRP  66 -19.669  18.693   5.069
  536   2HB   TRP  66          1HB       TRP  66 -19.652  17.355   3.924
  537    HD1  TRP  66           HD       TRP  66 -21.987  19.424   6.065
  538    HE1  TRP  66           1HE      TRP  66 -24.420  18.763   5.547
  539    HE3  TRP  66           3HE      TRP  66 -21.114  15.287   3.189
  540    HZ2  TRP  66           2HZ      TRP  66 -25.789  16.757   4.109
  541    HZ3  TRP  66           3HZ      TRP  66 -23.039  14.054   2.281
  542    HH2  TRP  66           HH       TRP  66 -25.327  14.775   2.733
  543    H    ALA  67           H        ALA  67 -18.119  15.544   4.177
  544    HA   ALA  67           HA       ALA  67 -19.782  13.337   3.710
  545   1HB   ALA  67          1HB       ALA  67 -17.547  12.346   2.789
  546   2HB   ALA  67          2HB       ALA  67 -16.940  13.979   3.073
  547   3HB   ALA  67          3HB       ALA  67 -18.308  13.722   1.989
  548    H    LEU  68           H        LEU  68 -17.080  13.785   5.931
  549    HA   LEU  68           HA       LEU  68 -16.795  11.086   6.693
  550   1HB   LEU  68          2HB       LEU  68 -15.802  13.678   7.575
  551   2HB   LEU  68          1HB       LEU  68 -16.048  12.569   8.909
  552    HG   LEU  68           HG       LEU  68 -14.604  11.456   6.586
  553   1HD1  LEU  68          1HD1      LEU  68 -13.837  13.935   7.092
  554   2HD1  LEU  68          2HD1      LEU  68 -12.675  12.655   6.740
  555   3HD1  LEU  68          3HD1      LEU  68 -12.976  13.140   8.409
  556   1HD2  LEU  68          1HD2      LEU  68 -14.667   9.985   8.343
  557   2HD2  LEU  68          2HD2      LEU  68 -14.575  11.260   9.557
  558   3HD2  LEU  68          3HD2      LEU  68 -13.132  10.797   8.656
  559    H    LYS  69           H        LYS  69 -18.784  13.713   7.980
  560    HA   LYS  69           HA       LYS  69 -19.732  12.246  10.224
  561   1HB   LYS  69          2HB       LYS  69 -19.736  14.818   9.758
  562   2HB   LYS  69          1HB       LYS  69 -21.282  14.492   8.985
  563   1HG   LYS  69          2HG       LYS  69 -22.255  13.763  10.993
  564   2HG   LYS  69          1HG       LYS  69 -20.688  13.614  11.792
  565   1HD   LYS  69          2HD       LYS  69 -20.707  16.247  11.059
  566   2HD   LYS  69          1HD       LYS  69 -22.408  15.959  11.433
  567   1HE   LYS  69          2HE       LYS  69 -21.539  16.600  13.483
  568   2HE   LYS  69          1HE       LYS  69 -21.501  14.840  13.580
  569   1HZ   LYS  69          1HZ       LYS  69 -19.390  15.222  14.207
  570   2HZ   LYS  69          2HZ       LYS  69 -19.306  16.737  13.458
  571   3HZ   LYS  69          3HZ       LYS  69 -19.102  15.329  12.544
  572    H    VAL  70           H        VAL  70 -21.168  13.003   7.054
  573    HA   VAL  70           HA       VAL  70 -23.560  11.547   7.527
  574    HB   VAL  70           HB       VAL  70 -22.353  12.211   4.838
  575   1HG1  VAL  70          1HG1      VAL  70 -24.749  12.243   4.141
  576   2HG1  VAL  70          2HG1      VAL  70 -25.166  11.605   5.731
  577   3HG1  VAL  70          3HG1      VAL  70 -24.160  10.656   4.636
  578   1HG2  VAL  70          1HG2      VAL  70 -22.526  14.343   5.504
  579   2HG2  VAL  70          2HG2      VAL  70 -23.527  13.929   6.895
  580   3HG2  VAL  70          3HG2      VAL  70 -24.261  14.110   5.302
  581    H    ALA  71           H        ALA  71 -20.573  10.753   5.762
  582    HA   ALA  71           HA       ALA  71 -21.310   8.242   4.817
  583   1HB   ALA  71          1HB       ALA  71 -19.284   9.236   4.040
  584   2HB   ALA  71          2HB       ALA  71 -18.853   7.735   4.860
  585   3HB   ALA  71          3HB       ALA  71 -18.612   9.283   5.671
  586    H    GLU  72           H        GLU  72 -19.884   9.177   7.911
  587    HA   GLU  72           HA       GLU  72 -19.733   6.536   8.958
  588   1HB   GLU  72          2HB       GLU  72 -18.323   8.296   9.855
  589   2HB   GLU  72          1HB       GLU  72 -19.733   9.231  10.330
  590   1HG   GLU  72          2HG       GLU  72 -19.891   6.634  11.505
  591   2HG   GLU  72          1HG       GLU  72 -18.308   7.332  11.839
  592    H    ASN  73           H        ASN  73 -22.130   9.109   9.062
  593    HA   ASN  73           HA       ASN  73 -23.814   7.873  10.987
  594   1HB   ASN  73          2HB       ASN  73 -23.992  10.198   9.157
  595   2HB   ASN  73          1HB       ASN  73 -25.516   9.515   9.714
  596   1HD2  ASN  73          1HD2      ASN  73 -24.591  12.093  10.331
  597   2HD2  ASN  73          2HD2      ASN  73 -24.330  12.176  12.037
  598    H    GLU  74           H        GLU  74 -23.787   7.920   7.450
  599    HA   GLU  74           HA       GLU  74 -26.197   6.358   7.253
  600   1HB   GLU  74          2HB       GLU  74 -24.185   7.279   5.204
  601   2HB   GLU  74          1HB       GLU  74 -25.603   6.321   4.801
  602   1HG   GLU  74          2HG       GLU  74 -25.585   9.066   6.032
  603   2HG   GLU  74          1HG       GLU  74 -26.022   8.655   4.375
  604    H    LEU  75           H        LEU  75 -22.730   5.747   6.795
  605    HA   LEU  75           HA       LEU  75 -23.276   2.944   6.219
  606   1HB   LEU  75          2HB       LEU  75 -20.648   4.419   6.321
  607   2HB   LEU  75          1HB       LEU  75 -20.884   2.776   5.752
  608    HG   LEU  75           HG       LEU  75 -22.213   5.151   4.458
  609   1HD1  LEU  75          1HD1      LEU  75 -19.677   3.800   3.562
  610   2HD1  LEU  75          2HD1      LEU  75 -19.726   5.339   4.420
  611   3HD1  LEU  75          3HD1      LEU  75 -20.470   5.192   2.827
  612   1HD2  LEU  75          1HD2      LEU  75 -21.750   2.293   3.622
  613   2HD2  LEU  75          2HD2      LEU  75 -22.341   3.558   2.541
  614   3HD2  LEU  75          3HD2      LEU  75 -23.295   3.082   3.947
  615    H    GLY  76           H        GLY  76 -21.905   4.924   8.780
  616   1HA   GLY  76          2HA       GLY  76 -21.865   4.254  11.052
  617   2HA   GLY  76          1HA       GLY  76 -21.992   2.581  10.533
  618    H    ILE  77           H        ILE  77 -19.688   4.566   8.916
  619    HA   ILE  77           HA       ILE  77 -17.528   2.997  10.091
  620    HB   ILE  77           HB       ILE  77 -17.367   4.994   7.831
  621   1HG1  ILE  77          2HG1      ILE  77 -17.272   2.075   7.298
  622   2HG1  ILE  77          1HG1      ILE  77 -18.850   2.747   7.701
  623   1HG2  ILE  77          1HG2      ILE  77 -15.480   2.745   8.015
  624   2HG2  ILE  77          2HG2      ILE  77 -15.335   3.964   9.281
  625   3HG2  ILE  77          3HG2      ILE  77 -15.201   4.434   7.586
  626   1HD1  ILE  77          1HD1      ILE  77 -17.178   3.129   5.303
  627   2HD1  ILE  77          2HD1      ILE  77 -18.088   4.529   5.871
  628   3HD1  ILE  77          3HD1      ILE  77 -18.932   3.033   5.468
  629    H    THR  78           H        THR  78 -16.483   3.760  11.799
  630    HA   THR  78           HA       THR  78 -16.672   6.491  12.617
  631    HB   THR  78           HB       THR  78 -16.552   4.856  14.343
  632    HG1  THR  78           1HG      THR  78 -14.707   5.554  15.479
  633   1HG2  THR  78          1HG2      THR  78 -14.353   3.562  14.635
  634   2HG2  THR  78          2HG2      THR  78 -14.135   3.846  12.908
  635   3HG2  THR  78          3HG2      THR  78 -15.546   2.960  13.486
  636    HA   PRO  79           HA       PRO  79 -13.323   8.255  10.310
  637   1HB   PRO  79          2HB       PRO  79 -12.886   9.886  12.758
  638   2HB   PRO  79          1HB       PRO  79 -13.132  10.407  11.088
  639   1HG   PRO  79          2HG       PRO  79 -15.077  10.651  12.893
  640   2HG   PRO  79          1HG       PRO  79 -15.437  10.183  11.219
  641   1HD   PRO  79          2HD       PRO  79 -15.336   8.494  13.681
  642   2HD   PRO  79          1HD       PRO  79 -16.433   8.400  12.289
  643    H    VAL  80           H        VAL  80 -11.158   7.948  10.120
  644    HA   VAL  80           HA       VAL  80  -9.787   6.690  12.407
  645    HB   VAL  80           HB       VAL  80  -9.073   6.342   9.496
  646   1HG1  VAL  80          1HG1      VAL  80  -8.070   4.193  10.698
  647   2HG1  VAL  80          2HG1      VAL  80  -8.028   5.304  12.067
  648   3HG1  VAL  80          3HG1      VAL  80  -7.177   5.709  10.577
  649   1HG2  VAL  80          1HG2      VAL  80 -11.091   4.988  11.168
  650   2HG2  VAL  80          2HG2      VAL  80 -10.044   3.936  10.216
  651   3HG2  VAL  80          3HG2      VAL  80 -11.008   5.176   9.416
  652    H    VAL  81           H        VAL  81  -9.657   9.198  10.003
  653    HA   VAL  81           HA       VAL  81  -7.246  10.254  11.291
  654    HB   VAL  81           HB       VAL  81  -6.491   9.148   9.239
  655   1HG1  VAL  81          1HG1      VAL  81  -7.321  10.603   7.114
  656   2HG1  VAL  81          2HG1      VAL  81  -8.784  10.589   8.097
  657   3HG1  VAL  81          3HG1      VAL  81  -8.036   9.069   7.607
  658   1HG2  VAL  81          1HG2      VAL  81  -5.154  10.896   8.430
  659   2HG2  VAL  81          2HG2      VAL  81  -5.532  11.356  10.090
  660   3HG2  VAL  81          3HG2      VAL  81  -6.394  12.109   8.748
  661    H    SER  82           H        SER  82  -6.936  12.571  10.925
  662    HA   SER  82           HA       SER  82  -9.423  13.979  11.099
  663   1HB   SER  82          2HB       SER  82  -7.105  14.455  12.262
  664   2HB   SER  82          1HB       SER  82  -6.804  15.399  10.802
  665    HG   SER  82           HG       SER  82  -8.826  16.483  11.272
  666    H    ALA  83           H        ALA  83 -10.075  15.752   9.766
  667    HA   ALA  83           HA       ALA  83  -9.954  15.194   7.003
  668   1HB   ALA  83          1HB       ALA  83 -10.996  17.529   8.578
  669   2HB   ALA  83          2HB       ALA  83 -11.901  16.261   7.751
  670   3HB   ALA  83          3HB       ALA  83 -11.053  17.493   6.816
  671    H    GLN  84           H        GLN  84  -8.371  17.664   8.996
  672    HA   GLN  84           HA       GLN  84  -7.132  19.081   6.922
  673   1HB   GLN  84          2HB       GLN  84  -6.193  18.665   9.766
  674   2HB   GLN  84          1HB       GLN  84  -5.570  19.885   8.665
  675   1HG   GLN  84          2HG       GLN  84  -8.461  19.983   8.922
  676   2HG   GLN  84          1HG       GLN  84  -7.628  20.204  10.460
  677   1HE2  GLN  84          1HE2      GLN  84  -6.548  22.066  10.849
  678   2HE2  GLN  84          2HE2      GLN  84  -6.501  23.404   9.756
  679    H    ALA  85           H        ALA  85  -6.147  16.184   8.665
  680    HA   ALA  85           HA       ALA  85  -3.507  16.070   7.639
  681   1HB   ALA  85          1HB       ALA  85  -4.830  13.534   8.355
  682   2HB   ALA  85          2HB       ALA  85  -4.782  14.771   9.611
  683   3HB   ALA  85          3HB       ALA  85  -3.284  14.198   8.880
  684    H    VAL  86           H        VAL  86  -6.533  14.479   6.653
  685    HA   VAL  86           HA       VAL  86  -5.348  13.052   4.500
  686    HB   VAL  86           HB       VAL  86  -7.436  12.300   5.523
  687   1HG1  VAL  86          1HG1      VAL  86  -9.533  13.447   5.142
  688   2HG1  VAL  86          2HG1      VAL  86  -8.703  14.717   4.244
  689   3HG1  VAL  86          3HG1      VAL  86  -8.400  14.515   5.969
  690   1HG2  VAL  86          1HG2      VAL  86  -7.621  11.245   3.571
  691   2HG2  VAL  86          2HG2      VAL  86  -7.012  12.637   2.680
  692   3HG2  VAL  86          3HG2      VAL  86  -8.726  12.523   3.071
  693    H    VAL  87           H        VAL  87  -7.206  16.081   4.664
  694    HA   VAL  87           HA       VAL  87  -7.289  16.566   1.895
  695    HB   VAL  87           HB       VAL  87  -7.264  18.626   4.107
  696   1HG1  VAL  87          1HG1      VAL  87  -8.825  19.128   1.681
  697   2HG1  VAL  87          2HG1      VAL  87  -7.081  19.063   1.420
  698   3HG1  VAL  87          3HG1      VAL  87  -7.757  20.199   2.587
  699   1HG2  VAL  87          1HG2      VAL  87  -9.831  17.905   2.908
  700   2HG2  VAL  87          2HG2      VAL  87  -9.394  18.140   4.601
  701   3HG2  VAL  87          3HG2      VAL  87  -9.075  16.595   3.814
  702    H    ALA  88           H        ALA  88  -4.903  17.375   4.359
  703    HA   ALA  88           HA       ALA  88  -3.278  18.886   2.505
  704   1HB   ALA  88          1HB       ALA  88  -1.726  19.108   4.403
  705   2HB   ALA  88          2HB       ALA  88  -2.757  18.034   5.349
  706   3HB   ALA  88          3HB       ALA  88  -3.371  19.598   4.815
  707    H    GLY  89           H        GLY  89  -3.656  15.606   3.299
  708   1HA   GLY  89          2HA       GLY  89  -2.519  13.732   2.623
  709   2HA   GLY  89          1HA       GLY  89  -1.644  14.768   1.507
  710    H    SER  90           H        SER  90  -1.642  15.251   4.976
  711    HA   SER  90           HA       SER  90   1.231  14.632   4.983
  712   1HB   SER  90          2HB       SER  90   0.881  15.926   7.322
  713   2HB   SER  90          1HB       SER  90   1.206  16.761   5.802
  714    HG   SER  90           HG       SER  90  -0.925  17.260   5.614
  715    H    ASP  91           H        ASP  91  -0.858  12.612   5.189
  716    HA   ASP  91           HA       ASP  91   0.157  11.226   7.484
  717   1HB   ASP  91          2HB       ASP  91  -1.958  12.806   8.082
  718   2HB   ASP  91          1HB       ASP  91  -2.800  11.341   7.586
  719    HA   PRO  92           HA       PRO  92  -1.008   8.638   3.794
  720   1HB   PRO  92          2HB       PRO  92   1.173   6.993   4.090
  721   2HB   PRO  92          1HB       PRO  92   1.156   8.449   3.090
  722   1HG   PRO  92          2HG       PRO  92   2.199   8.068   5.868
  723   2HG   PRO  92          1HG       PRO  92   2.903   8.983   4.522
  724   1HD   PRO  92          2HD       PRO  92   1.597  10.204   6.525
  725   2HD   PRO  92          1HD       PRO  92   1.498  10.795   4.853
  726    H    LEU  93           H        LEU  93   0.219   7.692   6.983
  727    HA   LEU  93           HA       LEU  93  -0.698   5.056   7.011
  728   1HB   LEU  93          2HB       LEU  93  -0.034   7.071   9.105
  729   2HB   LEU  93          1HB       LEU  93  -0.871   5.612   9.597
  730    HG   LEU  93           HG       LEU  93   1.026   4.363   8.354
  731   1HD1  LEU  93          1HD1      LEU  93   2.318   5.833   7.223
  732   2HD1  LEU  93          2HD1      LEU  93   3.154   5.927   8.774
  733   3HD1  LEU  93          3HD1      LEU  93   1.973   7.161   8.332
  734   1HD2  LEU  93          1HD2      LEU  93   2.550   4.963  10.462
  735   2HD2  LEU  93          2HD2      LEU  93   1.106   3.958  10.583
  736   3HD2  LEU  93          3HD2      LEU  93   1.029   5.668  11.010
  737    H    GLY  94           H        GLY  94  -2.336   8.075   7.820
  738   1HA   GLY  94          2HA       GLY  94  -4.704   6.828   8.823
  739   2HA   GLY  94          1HA       GLY  94  -4.526   8.520   8.379
  740    H    LEU  95           H        LEU  95  -3.750   8.121   5.673
  741    HA   LEU  95           HA       LEU  95  -6.254   8.008   4.431
  742   1HB   LEU  95          2HB       LEU  95  -3.441   8.143   3.557
  743   2HB   LEU  95          1HB       LEU  95  -4.558   7.492   2.375
  744    HG   LEU  95           HG       LEU  95  -4.221   9.895   2.071
  745   1HD1  LEU  95          1HD1      LEU  95  -6.402   8.780   1.548
  746   2HD1  LEU  95          2HD1      LEU  95  -6.505  10.515   1.848
  747   3HD1  LEU  95          3HD1      LEU  95  -7.000   9.374   3.098
  748   1HD2  LEU  95          1HD2      LEU  95  -3.868  11.080   3.935
  749   2HD2  LEU  95          2HD2      LEU  95  -4.711   9.911   4.950
  750   3HD2  LEU  95          3HD2      LEU  95  -5.626  11.136   4.071
  751    H    ILE  96           H        ILE  96  -3.706   5.561   4.710
  752    HA   ILE  96           HA       ILE  96  -5.003   3.610   3.113
  753    HB   ILE  96           HB       ILE  96  -2.974   3.149   5.302
  754   1HG1  ILE  96          2HG1      ILE  96  -2.520   3.564   2.340
  755   2HG1  ILE  96          1HG1      ILE  96  -2.231   4.785   3.575
  756   1HG2  ILE  96          1HG2      ILE  96  -2.506   1.241   3.463
  757   2HG2  ILE  96          2HG2      ILE  96  -4.251   1.425   3.283
  758   3HG2  ILE  96          3HG2      ILE  96  -3.564   1.018   4.856
  759   1HD1  ILE  96          1HD1      ILE  96  -0.143   4.009   3.554
  760   2HD1  ILE  96          2HD1      ILE  96  -0.611   2.496   2.778
  761   3HD1  ILE  96          3HD1      ILE  96  -0.785   2.683   4.523
  762    H    ALA  97           H        ALA  97  -4.947   4.249   6.592
  763    HA   ALA  97           HA       ALA  97  -6.325   1.981   7.458
  764   1HB   ALA  97          1HB       ALA  97  -6.852   4.534   8.862
  765   2HB   ALA  97          2HB       ALA  97  -5.171   4.018   8.731
  766   3HB   ALA  97          3HB       ALA  97  -6.359   2.967   9.504
  767    H    TYR  98           H        TYR  98  -7.526   5.087   6.280
  768    HA   TYR  98           HA       TYR  98 -10.256   4.617   6.856
  769   1HB   TYR  98          2HB       TYR  98  -8.941   6.810   6.154
  770   2HB   TYR  98          1HB       TYR  98  -9.464   6.331   4.543
  771    HD1  TYR  98           1HD      TYR  98 -10.894   6.736   7.978
  772    HD2  TYR  98           2HD      TYR  98 -11.472   7.176   3.785
  773    HE1  TYR  98           1HE      TYR  98 -13.088   7.767   8.393
  774    HE2  TYR  98           2HE      TYR  98 -13.667   8.207   4.189
  775    HH   TYR  98           HH       TYR  98 -15.353   8.356   5.860
  776    H    LEU  99           H        LEU  99  -8.327   4.188   3.905
  777    HA   LEU  99           HA       LEU  99 -10.382   3.334   2.220
  778   1HB   LEU  99          2HB       LEU  99  -7.446   3.196   2.246
  779   2HB   LEU  99          1HB       LEU  99  -8.221   1.933   1.309
  780    HG   LEU  99           HG       LEU  99  -9.507   3.808   0.138
  781   1HD1  LEU  99          1HD1      LEU  99  -7.374   5.407   1.536
  782   2HD1  LEU  99          2HD1      LEU  99  -9.122   5.623   1.630
  783   3HD1  LEU  99          3HD1      LEU  99  -8.268   5.981   0.128
  784   1HD2  LEU  99          1HD2      LEU  99  -6.605   3.188  -0.151
  785   2HD2  LEU  99          2HD2      LEU  99  -7.331   4.424  -1.176
  786   3HD2  LEU  99          3HD2      LEU  99  -7.956   2.775  -1.206
  787    H    SER 100           H        SER 100  -8.383   1.536   4.502
  788    HA   SER 100           HA       SER 100  -9.133  -1.057   3.759
  789   1HB   SER 100          2HB       SER 100  -8.373  -0.015   6.499
  790   2HB   SER 100          1HB       SER 100  -8.414  -1.715   6.031
  791    HG   SER 100           HG       SER 100  -6.477  -1.439   5.300
  792    H    HIS 101           H        HIS 101 -10.566   1.162   6.130
  793    HA   HIS 101           HA       HIS 101 -12.571  -0.605   7.032
  794   1HB   HIS 101          2HB       HIS 101 -11.932   2.244   7.323
  795   2HB   HIS 101          1HB       HIS 101 -13.655   1.894   7.402
  796    HD1  HIS 101           1HD      HIS 101 -13.304  -0.903   8.862
  797    HD2  HIS 101           2HD      HIS 101 -11.605   2.705  10.027
  798    HE1  HIS 101           1HE      HIS 101 -12.837  -1.143  11.321
  799    HE2  HIS 101           2HE      HIS 101 -11.893   1.085  12.024
  800    H    PHE 102           H        PHE 102 -12.567   1.891   4.513
  801    HA   PHE 102           HA       PHE 102 -15.301   1.597   3.825
  802   1HB   PHE 102          2HB       PHE 102 -12.982   3.072   2.825
  803   2HB   PHE 102          1HB       PHE 102 -14.063   2.543   1.540
  804    HD1  PHE 102           1HD      PHE 102 -13.688   4.693   4.461
  805    HD2  PHE 102           2HD      PHE 102 -16.332   3.382   1.395
  806    HE1  PHE 102           1HE      PHE 102 -15.191   6.578   4.956
  807    HE2  PHE 102           2HE      PHE 102 -17.839   5.264   1.883
  808    HZ   PHE 102           HZ       PHE 102 -17.269   6.865   3.666
  809    H    HIS 103           H        HIS 103 -12.319   0.172   2.567
  810    HA   HIS 103           HA       HIS 103 -13.500  -1.187   0.390
  811   1HB   HIS 103          2HB       HIS 103 -10.982  -0.715   0.973
  812   2HB   HIS 103          1HB       HIS 103 -11.084  -2.272   1.788
  813    HD1  HIS 103           1HD      HIS 103 -12.229  -4.200   0.062
  814    HD2  HIS 103           2HD      HIS 103 -10.170  -0.987  -1.580
  815    HE1  HIS 103           1HE      HIS 103 -11.602  -4.922  -2.264
  816    HE2  HIS 103           2HE      HIS 103 -10.270  -2.999  -3.201
  817    H    SER 104           H        SER 104 -12.842  -2.141   3.733
  818    HA   SER 104           HA       SER 104 -13.538  -4.844   3.517
  819   1HB   SER 104          2HB       SER 104 -13.654  -4.867   5.900
  820   2HB   SER 104          1HB       SER 104 -12.404  -3.696   5.478
  821    HG   SER 104           HG       SER 104 -13.600  -2.130   6.252
  822    H    ALA 105           H        ALA 105 -15.517  -2.001   4.271
  823    HA   ALA 105           HA       ALA 105 -17.922  -3.523   4.608
  824   1HB   ALA 105          1HB       ALA 105 -17.172  -0.667   4.673
  825   2HB   ALA 105          2HB       ALA 105 -18.164  -1.608   5.787
  826   3HB   ALA 105          3HB       ALA 105 -18.848  -1.033   4.267
  827    H    PHE 106           H        PHE 106 -16.550  -1.521   2.030
  828    HA   PHE 106           HA       PHE 106 -18.762  -1.690   0.283
  829   1HB   PHE 106          2HB       PHE 106 -15.878  -0.959  -0.019
  830   2HB   PHE 106          1HB       PHE 106 -16.849  -1.213  -1.464
  831    HD1  PHE 106           1HD      PHE 106 -18.080   0.234   1.705
  832    HD2  PHE 106           2HD      PHE 106 -16.848   0.989  -2.297
  833    HE1  PHE 106           1HE      PHE 106 -18.939   2.533   1.879
  834    HE2  PHE 106           2HE      PHE 106 -17.704   3.289  -2.132
  835    HZ   PHE 106           HZ       PHE 106 -18.752   4.064  -0.041
  836    H    LYS 107           H        LYS 107 -16.037  -3.788   0.890
  837    HA   LYS 107           HA       LYS 107 -16.208  -5.363  -1.444
  838   1HB   LYS 107          2HB       LYS 107 -14.252  -5.370   0.052
  839   2HB   LYS 107          1HB       LYS 107 -15.216  -6.137   1.305
  840   1HG   LYS 107          2HG       LYS 107 -15.489  -8.113  -0.064
  841   2HG   LYS 107          1HG       LYS 107 -14.615  -7.340  -1.389
  842   1HD   LYS 107          2HD       LYS 107 -12.779  -7.062   0.521
  843   2HD   LYS 107          1HD       LYS 107 -13.599  -8.493   1.147
  844   1HE   LYS 107          2HE       LYS 107 -12.932  -8.488  -1.735
  845   2HE   LYS 107          1HE       LYS 107 -11.581  -8.610  -0.610
  846   1HZ   LYS 107          1HZ       LYS 107 -12.982 -10.701  -1.469
  847   2HZ   LYS 107          2HZ       LYS 107 -13.838 -10.346  -0.054
  848   3HZ   LYS 107          3HZ       LYS 107 -12.180 -10.668   0.020
  849    H    SER 108           H        SER 108 -17.572  -5.827   1.808
  850    HA   SER 108           HA       SER 108 -18.895  -8.252   1.215
  851   1HB   SER 108          2HB       SER 108 -18.454  -6.757   3.494
  852   2HB   SER 108          1HB       SER 108 -20.196  -6.611   3.263
  853    HG   SER 108           HG       SER 108 -20.101  -8.999   2.992
  854    H    MET 109           H        MET 109 -19.940  -4.875   1.121
  855    HA   MET 109           HA       MET 109 -22.582  -5.650   0.178
  856   1HB   MET 109          2HB       MET 109 -21.720  -3.569   1.731
  857   2HB   MET 109          1HB       MET 109 -21.880  -2.793   0.162
  858   1HG   MET 109          2HG       MET 109 -23.998  -2.485   0.802
  859   2HG   MET 109          1HG       MET 109 -24.206  -4.152   0.273
  860   1HE   MET 109          1HE       MET 109 -24.829  -2.363   4.285
  861   2HE   MET 109          2HE       MET 109 -25.998  -2.436   2.967
  862   3HE   MET 109          3HE       MET 109 -24.459  -1.607   2.736
  Start of MODEL   14
    1   1H    MET  -8          1HT       MET  -8   3.586 -18.896   0.245
    2   2H    MET  -8          2HT       MET  -8   4.866 -19.903   0.786
    3   3H    MET  -8          3HT       MET  -8   5.102 -18.855  -0.553
    4    HA   MET  -8           HA       MET  -8   6.133 -18.026   1.435
    5   1HB   MET  -8          2HB       MET  -8   3.751 -16.502   0.361
    6   2HB   MET  -8          1HB       MET  -8   5.030 -15.777   1.326
    7   1HG   MET  -8          2HG       MET  -8   6.650 -16.529  -0.429
    8   2HG   MET  -8          1HG       MET  -8   5.263 -16.993  -1.413
    9   1HE   MET  -8          1HE       MET  -8   6.913 -14.866  -3.128
   10   2HE   MET  -8          2HE       MET  -8   5.410 -14.046  -3.552
   11   3HE   MET  -8          3HE       MET  -8   5.426 -15.794  -3.319
   12    H    GLY  -7           H        GLY  -7   6.093 -18.324   3.560
   13   1HA   GLY  -7          2HA       GLY  -7   3.504 -18.579   4.917
   14   2HA   GLY  -7          1HA       GLY  -7   5.055 -19.106   5.553
   15    H    HIS  -6           H        HIS  -6   6.331 -16.540   4.788
   16    HA   HIS  -6           HA       HIS  -6   5.891 -15.158   7.224
   17   1HB   HIS  -6          2HB       HIS  -6   7.632 -14.861   4.866
   18   2HB   HIS  -6          1HB       HIS  -6   7.244 -13.353   5.690
   19    HD1  HIS  -6           1HD      HIS  -6   7.316 -14.272   8.603
   20    HD2  HIS  -6           2HD      HIS  -6  10.144 -15.373   5.764
   21    HE1  HIS  -6           1HE      HIS  -6   9.377 -14.886   9.907
   22    HE2  HIS  -6           2HE      HIS  -6  11.102 -15.460   8.164
   23    H    HIS  -5           H        HIS  -5   5.674 -12.601   6.996
   24    HA   HIS  -5           HA       HIS  -5   3.610 -11.852   5.093
   25   1HB   HIS  -5          2HB       HIS  -5   2.174 -10.946   6.976
   26   2HB   HIS  -5          1HB       HIS  -5   2.200 -12.698   6.812
   27    HD1  HIS  -5           1HD      HIS  -5   3.631 -14.015   8.614
   28    HD2  HIS  -5           2HD      HIS  -5   3.049  -9.975   9.396
   29    HE1  HIS  -5           1HE      HIS  -5   4.222 -13.707  11.040
   30    HE2  HIS  -5           2HE      HIS  -5   3.785 -11.271  11.510
   31    H    HIS  -4           H        HIS  -4   3.284  -9.578   4.941
   32    HA   HIS  -4           HA       HIS  -4   3.978  -7.415   4.860
   33   1HB   HIS  -4          2HB       HIS  -4   4.787  -8.186   7.651
   34   2HB   HIS  -4          1HB       HIS  -4   5.152  -6.585   7.018
   35    HD1  HIS  -4           1HD      HIS  -4   1.966  -7.904   5.797
   36    HD2  HIS  -4           2HD      HIS  -4   3.291  -5.723   9.076
   37    HE1  HIS  -4           1HE      HIS  -4  -0.100  -6.887   6.806
   38    HE2  HIS  -4           2HE      HIS  -4   0.716  -5.641   8.838
   39    H    HIS  -3           H        HIS  -3   5.429  -7.534   3.190
   40    HA   HIS  -3           HA       HIS  -3   8.122  -8.450   3.570
   41   1HB   HIS  -3          2HB       HIS  -3   6.443  -7.603   1.334
   42   2HB   HIS  -3          1HB       HIS  -3   8.107  -7.048   1.185
   43    HD1  HIS  -3           1HD      HIS  -3   6.269  -9.581  -0.143
   44    HD2  HIS  -3           2HD      HIS  -3   9.754  -9.632   2.121
   45    HE1  HIS  -3           1HE      HIS  -3   7.371 -11.784  -0.652
   46    HE2  HIS  -3           2HE      HIS  -3   9.519 -11.755   0.664
   47    H    HIS  -2           H        HIS  -2   6.517  -5.511   4.142
   48    HA   HIS  -2           HA       HIS  -2   7.254  -3.504   4.921
   49   1HB   HIS  -2          2HB       HIS  -2   8.980  -4.973   6.089
   50   2HB   HIS  -2          1HB       HIS  -2  10.075  -4.565   4.773
   51    HD1  HIS  -2           1HD      HIS  -2  11.060  -2.195   4.743
   52    HD2  HIS  -2           2HD      HIS  -2   8.431  -2.877   7.888
   53    HE1  HIS  -2           1HE      HIS  -2  11.360  -0.246   6.305
   54    HE2  HIS  -2           2HE      HIS  -2   9.702  -0.640   8.161
   55    H    HIS  -1           H        HIS  -1   9.903  -4.578   2.785
   56    HA   HIS  -1           HA       HIS  -1   9.564  -2.090   1.259
   57   1HB   HIS  -1          2HB       HIS  -1  11.850  -2.601   0.379
   58   2HB   HIS  -1          1HB       HIS  -1  11.795  -2.350   2.121
   59    HD1  HIS  -1           1HD      HIS  -1  12.895  -4.100   3.489
   60    HD2  HIS  -1           2HD      HIS  -1  11.898  -5.486  -0.299
   61    HE1  HIS  -1           1HE      HIS  -1  13.851  -6.422   3.351
   62    HE2  HIS  -1           2HE      HIS  -1  13.155  -7.275   1.083
   63    H    MET   0           H        MET   0   7.878  -4.484   0.961
   64    HA   MET   0           HA       MET   0   7.734  -4.565  -1.846
   65   1HB   MET   0          2HB       MET   0   9.796  -6.043  -1.277
   66   2HB   MET   0          1HB       MET   0   8.602  -7.221  -0.749
   67   1HG   MET   0          2HG       MET   0   9.074  -7.817  -2.944
   68   2HG   MET   0          1HG       MET   0   7.550  -6.937  -3.051
   69   1HE   MET   0          1HE       MET   0  11.411  -6.028  -2.896
   70   2HE   MET   0          2HE       MET   0  11.654  -5.557  -4.578
   71   3HE   MET   0          3HE       MET   0  11.189  -7.212  -4.184
   72    H    GLY   1           H        GLY   1   6.005  -4.170   0.380
   73   1HA   GLY   1          2HA       GLY   1   3.986  -6.185  -0.279
   74   2HA   GLY   1          1HA       GLY   1   4.399  -5.972   1.415
   75    H    SER   2           H        SER   2   4.226  -3.682   2.235
   76    HA   SER   2           HA       SER   2   1.607  -2.727   1.744
   77   1HB   SER   2          2HB       SER   2   3.887  -1.935   3.473
   78   2HB   SER   2          1HB       SER   2   2.695  -0.684   3.118
   79    HG   SER   2           HG       SER   2   2.186  -1.919   5.000
   80    H    ALA   3           H        ALA   3   4.763  -1.817   0.554
   81    HA   ALA   3           HA       ALA   3   3.916   0.673  -0.586
   82   1HB   ALA   3          1HB       ALA   3   6.166   0.727  -0.173
   83   2HB   ALA   3          2HB       ALA   3   6.175   0.283  -1.879
   84   3HB   ALA   3          3HB       ALA   3   6.406  -0.955  -0.646
   85    H    GLY   4           H        GLY   4   4.410  -2.616  -1.780
   86   1HA   GLY   4          2HA       GLY   4   3.886  -1.944  -4.516
   87   2HA   GLY   4          1HA       GLY   4   3.980  -3.563  -3.841
   88    H    THR   5           H        THR   5   1.926  -2.888  -1.796
   89    HA   THR   5           HA       THR   5  -0.352  -3.689  -3.312
   90    HB   THR   5           HB       THR   5  -1.498  -3.218  -1.005
   91    HG1  THR   5           1HG      THR   5  -0.023  -3.184   0.693
   92   1HG2  THR   5          1HG2      THR   5   0.543  -5.274  -0.570
   93   2HG2  THR   5          2HG2      THR   5  -0.403  -5.451  -2.050
   94   3HG2  THR   5          3HG2      THR   5  -1.216  -5.374  -0.485
   95    H    GLN   6           H        GLN   6   0.933  -0.648  -2.326
   96    HA   GLN   6           HA       GLN   6  -1.348   0.935  -2.186
   97   1HB   GLN   6          2HB       GLN   6   1.515   1.422  -2.820
   98   2HB   GLN   6          1HB       GLN   6   0.372   2.695  -3.223
   99   1HG   GLN   6          2HG       GLN   6  -0.422   2.648  -0.873
  100   2HG   GLN   6          1HG       GLN   6   0.858   1.491  -0.511
  101   1HE2  GLN   6          1HE2      GLN   6   2.265   2.566   0.697
  102   2HE2  GLN   6          2HE2      GLN   6   2.979   4.086   0.297
  103    H    GLU   7           H        GLU   7   0.374  -0.308  -4.971
  104    HA   GLU   7           HA       GLU   7  -0.761   1.347  -6.938
  105   1HB   GLU   7          2HB       GLU   7   1.140  -0.578  -6.955
  106   2HB   GLU   7          1HB       GLU   7  -0.196  -1.457  -7.686
  107   1HG   GLU   7          2HG       GLU   7  -0.289  -0.051  -9.523
  108   2HG   GLU   7          1HG       GLU   7   0.559   1.252  -8.693
  109    H    GLU   8           H        GLU   8  -1.770  -1.833  -5.712
  110    HA   GLU   8           HA       GLU   8  -4.060  -1.994  -7.400
  111   1HB   GLU   8          2HB       GLU   8  -4.684  -3.928  -6.074
  112   2HB   GLU   8          1HB       GLU   8  -2.969  -3.989  -6.448
  113   1HG   GLU   8          2HG       GLU   8  -2.344  -3.521  -4.268
  114   2HG   GLU   8          1HG       GLU   8  -3.914  -2.835  -3.860
  115    H    LEU   9           H        LEU   9  -3.438  -0.705  -4.213
  116    HA   LEU   9           HA       LEU   9  -6.142  -0.469  -3.389
  117   1HB   LEU   9          2HB       LEU   9  -3.518   0.385  -2.427
  118   2HB   LEU   9          1HB       LEU   9  -4.784   1.542  -2.071
  119    HG   LEU   9           HG       LEU   9  -4.502   0.038  -0.202
  120   1HD1  LEU   9          1HD1      LEU   9  -7.012  -1.047  -1.297
  121   2HD1  LEU   9          2HD1      LEU   9  -6.865   0.710  -1.293
  122   3HD1  LEU   9          3HD1      LEU   9  -6.704  -0.191   0.214
  123   1HD2  LEU   9          1HD2      LEU   9  -4.321  -2.212  -0.329
  124   2HD2  LEU   9          2HD2      LEU   9  -3.792  -1.849  -1.972
  125   3HD2  LEU   9          3HD2      LEU   9  -5.460  -2.338  -1.670
  126    H    LEU  10           H        LEU  10  -3.864   1.826  -4.861
  127    HA   LEU  10           HA       LEU  10  -5.627   4.018  -4.946
  128   1HB   LEU  10          2HB       LEU  10  -3.132   4.080  -5.244
  129   2HB   LEU  10          1HB       LEU  10  -3.369   3.446  -6.861
  130    HG   LEU  10           HG       LEU  10  -5.044   5.668  -6.754
  131   1HD1  LEU  10          1HD1      LEU  10  -3.285   7.430  -6.127
  132   2HD1  LEU  10          2HD1      LEU  10  -2.517   6.132  -5.214
  133   3HD1  LEU  10          3HD1      LEU  10  -4.164   6.628  -4.825
  134   1HD2  LEU  10          1HD2      LEU  10  -2.915   6.629  -8.060
  135   2HD2  LEU  10          2HD2      LEU  10  -4.017   5.441  -8.756
  136   3HD2  LEU  10          3HD2      LEU  10  -2.493   4.917  -8.040
  137    H    ARG  11           H        ARG  11  -5.082   1.328  -7.132
  138    HA   ARG  11           HA       ARG  11  -6.528   2.347  -9.336
  139   1HB   ARG  11          2HB       ARG  11  -5.674  -0.396  -8.476
  140   2HB   ARG  11          1HB       ARG  11  -6.756  -0.202  -9.849
  141   1HG   ARG  11          2HG       ARG  11  -4.965   1.468 -10.702
  142   2HG   ARG  11          1HG       ARG  11  -3.909   0.647  -9.550
  143   1HD   ARG  11          2HD       ARG  11  -3.571  -0.947 -11.057
  144   2HD   ARG  11          1HD       ARG  11  -5.278  -1.373 -10.944
  145    HE   ARG  11           HE       ARG  11  -4.777   0.832 -12.706
  146   1HH1  ARG  11          1HH1      ARG  11  -4.850  -2.648 -12.456
  147   2HH1  ARG  11          2HH1      ARG  11  -5.123  -2.888 -14.149
  148   1HH2  ARG  11          1HH2      ARG  11  -5.137   0.518 -14.933
  149   2HH2  ARG  11          2HH2      ARG  11  -5.285  -1.091 -15.556
  150    H    TRP  12           H        TRP  12  -7.468   0.473  -6.509
  151    HA   TRP  12           HA       TRP  12 -10.109  -0.102  -7.354
  152   1HB   TRP  12          2HB       TRP  12  -8.883  -1.299  -5.526
  153   2HB   TRP  12          1HB       TRP  12  -9.101   0.125  -4.512
  154    HD1  TRP  12           HD       TRP  12 -11.273  -2.497  -6.365
  155    HE1  TRP  12           1HE      TRP  12 -13.454  -2.802  -5.033
  156    HE3  TRP  12           3HE      TRP  12 -10.536   1.065  -2.771
  157    HZ2  TRP  12           2HZ      TRP  12 -14.698  -1.683  -2.761
  158    HZ3  TRP  12           3HZ      TRP  12 -12.271   1.384  -1.055
  159    HH2  TRP  12           HH       TRP  12 -14.309   0.038  -1.051
  160    H    CYS  13           H        CYS  13  -8.678   2.547  -5.516
  161    HA   CYS  13           HA       CYS  13 -11.090   3.777  -4.730
  162   1HB   CYS  13          2HB       CYS  13  -8.584   4.193  -4.005
  163   2HB   CYS  13          1HB       CYS  13  -8.648   5.414  -5.273
  164    HG   CYS  13           HG       CYS  13 -10.860   5.630  -3.161
  165    H    GLN  14           H        GLN  14  -8.969   4.306  -7.527
  166    HA   GLN  14           HA       GLN  14 -10.489   6.426  -8.627
  167   1HB   GLN  14          2HB       GLN  14  -8.066   5.746  -9.151
  168   2HB   GLN  14          1HB       GLN  14  -8.769   4.554 -10.237
  169   1HG   GLN  14          2HG       GLN  14  -9.271   7.516 -10.394
  170   2HG   GLN  14          1HG       GLN  14  -8.078   6.645 -11.357
  171   1HE2  GLN  14          1HE2      GLN  14 -10.581   8.167 -12.023
  172   2HE2  GLN  14          2HE2      GLN  14 -11.491   7.090 -13.020
  173    H    GLU  15           H        GLU  15 -10.542   2.926  -9.086
  174    HA   GLU  15           HA       GLU  15 -12.359   2.911 -11.256
  175   1HB   GLU  15          2HB       GLU  15 -10.836   1.015 -10.223
  176   2HB   GLU  15          1HB       GLU  15 -12.282   0.662  -9.288
  177   1HG   GLU  15          2HG       GLU  15 -13.051   0.973 -11.997
  178   2HG   GLU  15          1HG       GLU  15 -11.652  -0.097 -11.945
  179    H    GLN  16           H        GLN  16 -12.806   2.582  -7.754
  180    HA   GLN  16           HA       GLN  16 -15.613   2.239  -7.848
  181   1HB   GLN  16          2HB       GLN  16 -13.597   2.827  -5.751
  182   2HB   GLN  16          1HB       GLN  16 -15.264   3.253  -5.385
  183   1HG   GLN  16          2HG       GLN  16 -14.432   0.525  -6.325
  184   2HG   GLN  16          1HG       GLN  16 -14.520   0.981  -4.624
  185   1HE2  GLN  16          1HE2      GLN  16 -16.704   2.190  -4.161
  186   2HE2  GLN  16          2HE2      GLN  16 -18.109   1.349  -4.712
  187    H    THR  17           H        THR  17 -13.536   5.045  -7.820
  188    HA   THR  17           HA       THR  17 -15.757   6.868  -7.398
  189    HB   THR  17           HB       THR  17 -12.843   7.437  -7.977
  190    HG1  THR  17           1HG      THR  17 -14.307   7.218  -5.570
  191   1HG2  THR  17          1HG2      THR  17 -13.914   9.534  -6.524
  192   2HG2  THR  17          2HG2      THR  17 -15.120   9.194  -7.764
  193   3HG2  THR  17          3HG2      THR  17 -13.455   9.547  -8.227
  194    H    ALA  18           H        ALA  18 -14.967   5.108  -9.952
  195    HA   ALA  18           HA       ALA  18 -14.859   7.127 -12.004
  196   1HB   ALA  18          1HB       ALA  18 -13.707   5.024 -12.348
  197   2HB   ALA  18          2HB       ALA  18 -14.972   5.222 -13.560
  198   3HB   ALA  18          3HB       ALA  18 -15.225   4.140 -12.192
  199    H    GLY  19           H        GLY  19 -16.522   8.048 -13.025
  200   1HA   GLY  19          2HA       GLY  19 -18.788   7.288 -14.050
  201   2HA   GLY  19          1HA       GLY  19 -19.223   7.105 -12.358
  202    H    TYR  20           H        TYR  20 -17.485   9.490 -11.711
  203    HA   TYR  20           HA       TYR  20 -19.557  11.467 -12.126
  204   1HB   TYR  20          2HB       TYR  20 -16.926  11.746 -10.664
  205   2HB   TYR  20          1HB       TYR  20 -18.304  12.837 -10.563
  206    HD1  TYR  20           1HD      TYR  20 -20.051  12.438  -9.027
  207    HD2  TYR  20           2HD      TYR  20 -17.174   9.395  -9.773
  208    HE1  TYR  20           1HE      TYR  20 -20.943  11.140  -7.142
  209    HE2  TYR  20           2HE      TYR  20 -18.059   8.088  -7.890
  210    HH   TYR  20           HH       TYR  20 -19.351   8.281  -5.957
  211    HA   PRO  21           HA       PRO  21 -17.450  13.051 -15.760
  212   1HB   PRO  21          2HB       PRO  21 -19.387  15.256 -15.591
  213   2HB   PRO  21          1HB       PRO  21 -19.151  14.066 -16.872
  214   1HG   PRO  21          2HG       PRO  21 -21.307  14.021 -15.266
  215   2HG   PRO  21          1HG       PRO  21 -20.568  12.536 -15.895
  216   1HD   PRO  21          2HD       PRO  21 -20.308  13.783 -13.182
  217   2HD   PRO  21          1HD       PRO  21 -20.498  12.072 -13.624
  218    H    GLY  22           H        GLY  22 -15.878  13.554 -13.716
  219   1HA   GLY  22          2HA       GLY  22 -14.403  15.703 -14.129
  220   2HA   GLY  22          1HA       GLY  22 -15.739  16.440 -13.257
  221    H    VAL  23           H        VAL  23 -14.267  13.267 -12.699
  222    HA   VAL  23           HA       VAL  23 -13.083  14.266 -10.216
  223    HB   VAL  23           HB       VAL  23 -14.837  11.806 -10.297
  224   1HG1  VAL  23          1HG1      VAL  23 -12.884  11.847  -8.696
  225   2HG1  VAL  23          2HG1      VAL  23 -14.473  11.626  -7.963
  226   3HG1  VAL  23          3HG1      VAL  23 -13.681  13.200  -7.894
  227   1HG2  VAL  23          1HG2      VAL  23 -15.366  14.577  -9.238
  228   2HG2  VAL  23          2HG2      VAL  23 -16.324  13.162  -8.798
  229   3HG2  VAL  23          3HG2      VAL  23 -16.268  13.702 -10.476
  230    H    HIS  24           H        HIS  24 -11.046  13.640 -10.129
  231    HA   HIS  24           HA       HIS  24 -10.293  11.073 -11.363
  232   1HB   HIS  24          2HB       HIS  24  -8.739  13.666 -11.313
  233   2HB   HIS  24          1HB       HIS  24  -8.067  12.125 -11.837
  234    HD1  HIS  24           1HD      HIS  24 -10.101  11.022 -13.695
  235    HD2  HIS  24           2HD      HIS  24  -9.217  15.080 -13.559
  236    HE1  HIS  24           1HE      HIS  24 -10.814  11.941 -15.925
  237    HE2  HIS  24           2HE      HIS  24 -10.193  14.381 -15.850
  238    H    VAL  25           H        VAL  25  -9.334   9.656 -10.052
  239    HA   VAL  25           HA       VAL  25  -8.208  10.652  -7.515
  240    HB   VAL  25           HB       VAL  25  -9.487   7.949  -7.898
  241   1HG1  VAL  25          1HG1      VAL  25  -7.746   8.744  -5.987
  242   2HG1  VAL  25          2HG1      VAL  25  -8.992   7.519  -5.746
  243   3HG1  VAL  25          3HG1      VAL  25  -9.282   9.182  -5.237
  244   1HG2  VAL  25          1HG2      VAL  25 -11.257   9.497  -8.187
  245   2HG2  VAL  25          2HG2      VAL  25 -10.669  10.521  -6.876
  246   3HG2  VAL  25          3HG2      VAL  25 -11.357   8.938  -6.517
  247    H    SER  26           H        SER  26  -6.063  10.666  -8.013
  248    HA   SER  26           HA       SER  26  -4.781   8.084  -8.283
  249   1HB   SER  26          2HB       SER  26  -5.259   8.996 -10.637
  250   2HB   SER  26          1HB       SER  26  -4.044  10.222 -10.276
  251    HG   SER  26           HG       SER  26  -2.767   8.711 -11.040
  252    H    ASP  27           H        ASP  27  -4.982  10.400  -6.384
  253    HA   ASP  27           HA       ASP  27  -2.100  10.705  -5.958
  254   1HB   ASP  27          2HB       ASP  27  -4.024  13.007  -5.597
  255   2HB   ASP  27          1HB       ASP  27  -2.267  13.049  -5.489
  256    H    LEU  28           H        LEU  28  -1.475  10.904  -3.788
  257    HA   LEU  28           HA       LEU  28  -3.490   9.948  -1.902
  258   1HB   LEU  28          2HB       LEU  28  -0.483  10.011  -1.852
  259   2HB   LEU  28          1HB       LEU  28  -1.428   9.619  -0.429
  260    HG   LEU  28           HG       LEU  28  -0.595   7.619  -1.612
  261   1HD1  LEU  28          1HD1      LEU  28  -2.986   7.967  -0.438
  262   2HD1  LEU  28          2HD1      LEU  28  -2.429   6.422  -1.079
  263   3HD1  LEU  28          3HD1      LEU  28  -3.505   7.439  -2.038
  264   1HD2  LEU  28          1HD2      LEU  28  -1.027   8.886  -3.900
  265   2HD2  LEU  28          2HD2      LEU  28  -2.564   8.029  -3.795
  266   3HD2  LEU  28          3HD2      LEU  28  -1.048   7.126  -3.789
  267    H    SER  29           H        SER  29  -3.626  12.689  -2.671
  268    HA   SER  29           HA       SER  29  -3.765  13.892  -0.110
  269   1HB   SER  29          2HB       SER  29  -1.455  14.266  -0.130
  270   2HB   SER  29          1HB       SER  29  -1.426  14.600  -1.860
  271    HG   SER  29           HG       SER  29  -2.760  16.261   0.003
  272    H    SER  30           H        SER  30  -2.868  15.499  -3.140
  273    HA   SER  30           HA       SER  30  -4.854  17.426  -3.051
  274   1HB   SER  30          2HB       SER  30  -3.828  16.375  -5.674
  275   2HB   SER  30          1HB       SER  30  -4.203  18.036  -5.217
  276    HG   SER  30           HG       SER  30  -2.359  18.100  -3.983
  277    H    SER  31           H        SER  31  -5.061  14.126  -4.096
  278    HA   SER  31           HA       SER  31  -7.374  14.344  -5.708
  279   1HB   SER  31          2HB       SER  31  -5.657  12.264  -4.808
  280   2HB   SER  31          1HB       SER  31  -7.311  11.790  -4.425
  281    HG   SER  31           HG       SER  31  -6.148  12.351  -6.925
  282    H    TRP  32           H        TRP  32  -6.893  14.203  -2.267
  283    HA   TRP  32           HA       TRP  32  -9.804  14.012  -1.872
  284   1HB   TRP  32          2HB       TRP  32  -7.736  13.611   0.281
  285   2HB   TRP  32          1HB       TRP  32  -9.423  13.107   0.281
  286    HD1  TRP  32           HD       TRP  32  -6.250  12.300  -1.823
  287    HE1  TRP  32           1HE      TRP  32  -6.273   9.779  -2.341
  288    HE3  TRP  32           3HE      TRP  32 -10.674  11.053   0.414
  289    HZ2  TRP  32           2HZ      TRP  32  -7.946   7.555  -1.864
  290    HZ3  TRP  32           3HZ      TRP  32 -11.414   8.708   0.338
  291    HH2  TRP  32           HH       TRP  32 -10.078   6.995  -0.778
  292    H    ALA  33           H        ALA  33  -7.952  16.403  -2.453
  293    HA   ALA  33           HA       ALA  33  -7.779  18.047  -0.209
  294   1HB   ALA  33          1HB       ALA  33  -8.134  19.859  -2.181
  295   2HB   ALA  33          2HB       ALA  33  -7.695  18.434  -3.122
  296   3HB   ALA  33          3HB       ALA  33  -6.613  19.026  -1.862
  297    H    ASP  34           H        ASP  34 -10.316  18.062  -2.728
  298    HA   ASP  34           HA       ASP  34 -12.009  19.702  -1.035
  299   1HB   ASP  34          2HB       ASP  34 -13.607  19.515  -3.009
  300   2HB   ASP  34          1HB       ASP  34 -12.075  20.327  -3.318
  301    H    GLY  35           H        GLY  35 -11.315  16.583  -0.846
  302   1HA   GLY  35          2HA       GLY  35 -12.375  14.810   0.149
  303   2HA   GLY  35          1HA       GLY  35 -13.684  15.908   0.551
  304    H    LEU  36           H        LEU  36 -12.655  15.370  -2.746
  305    HA   LEU  36           HA       LEU  36 -15.299  14.576  -3.499
  306   1HB   LEU  36          2HB       LEU  36 -12.771  15.217  -4.867
  307   2HB   LEU  36          1HB       LEU  36 -13.790  14.059  -5.702
  308    HG   LEU  36           HG       LEU  36 -15.075  16.555  -4.725
  309   1HD1  LEU  36          1HD1      LEU  36 -13.960  16.853  -7.393
  310   2HD1  LEU  36          2HD1      LEU  36 -12.724  16.778  -6.136
  311   3HD1  LEU  36          3HD1      LEU  36 -14.002  17.990  -6.047
  312   1HD2  LEU  36          1HD2      LEU  36 -16.015  14.467  -6.080
  313   2HD2  LEU  36          2HD2      LEU  36 -15.436  15.428  -7.441
  314   3HD2  LEU  36          3HD2      LEU  36 -16.621  16.105  -6.324
  315    H    ALA  37           H        ALA  37 -12.206  12.924  -3.103
  316    HA   ALA  37           HA       ALA  37 -12.927  10.459  -4.230
  317   1HB   ALA  37          1HB       ALA  37 -10.816  11.390  -2.366
  318   2HB   ALA  37          2HB       ALA  37 -10.676  10.559  -3.916
  319   3HB   ALA  37          3HB       ALA  37 -11.116   9.655  -2.466
  320    H    LEU  38           H        LEU  38 -13.082  11.586  -0.861
  321    HA   LEU  38           HA       LEU  38 -14.116   9.179   0.197
  322   1HB   LEU  38          2HB       LEU  38 -13.245  11.598   1.221
  323   2HB   LEU  38          1HB       LEU  38 -14.956  11.594   1.606
  324    HG   LEU  38           HG       LEU  38 -14.366   9.141   2.472
  325   1HD1  LEU  38          1HD1      LEU  38 -11.780  10.542   2.223
  326   2HD1  LEU  38          2HD1      LEU  38 -12.147   8.816   2.205
  327   3HD1  LEU  38          3HD1      LEU  38 -12.070   9.686   3.737
  328   1HD2  LEU  38          1HD2      LEU  38 -13.676  10.485   4.685
  329   2HD2  LEU  38          2HD2      LEU  38 -15.331  10.400   4.083
  330   3HD2  LEU  38          3HD2      LEU  38 -14.336  11.813   3.731
  331    H    CYS  39           H        CYS  39 -15.684  12.177  -0.871
  332    HA   CYS  39           HA       CYS  39 -18.320  11.354  -0.252
  333   1HB   CYS  39          2HB       CYS  39 -17.212  13.716  -0.959
  334   2HB   CYS  39          1HB       CYS  39 -17.944  13.254  -2.491
  335    HG   CYS  39           HG       CYS  39 -19.417  14.456  -0.241
  336    H    ALA  40           H        ALA  40 -16.274  10.991  -3.075
  337    HA   ALA  40           HA       ALA  40 -18.208  10.202  -4.941
  338   1HB   ALA  40          1HB       ALA  40 -16.074   8.817  -5.789
  339   2HB   ALA  40          2HB       ALA  40 -15.276   9.939  -4.686
  340   3HB   ALA  40          3HB       ALA  40 -16.252  10.556  -6.019
  341    H    LEU  41           H        LEU  41 -16.313   8.298  -2.621
  342    HA   LEU  41           HA       LEU  41 -17.294   5.774  -3.443
  343   1HB   LEU  41          2HB       LEU  41 -15.743   6.843  -1.170
  344   2HB   LEU  41          1HB       LEU  41 -16.631   5.366  -0.842
  345    HG   LEU  41           HG       LEU  41 -15.484   4.540  -3.060
  346   1HD1  LEU  41          1HD1      LEU  41 -14.466   7.023  -3.104
  347   2HD1  LEU  41          2HD1      LEU  41 -13.648   5.623  -3.798
  348   3HD1  LEU  41          3HD1      LEU  41 -13.204   6.196  -2.192
  349   1HD2  LEU  41          1HD2      LEU  41 -14.125   3.301  -1.734
  350   2HD2  LEU  41          2HD2      LEU  41 -15.142   3.992  -0.470
  351   3HD2  LEU  41          3HD2      LEU  41 -13.564   4.697  -0.813
  352    H    VAL  42           H        VAL  42 -18.180   7.856  -0.687
  353    HA   VAL  42           HA       VAL  42 -20.244   6.260   0.311
  354    HB   VAL  42           HB       VAL  42 -20.247   9.272   0.419
  355   1HG1  VAL  42          1HG1      VAL  42 -21.096   7.350   2.561
  356   2HG1  VAL  42          2HG1      VAL  42 -22.195   7.844   1.273
  357   3HG1  VAL  42          3HG1      VAL  42 -21.521   9.051   2.366
  358   1HG2  VAL  42          1HG2      VAL  42 -19.037   8.294   2.741
  359   2HG2  VAL  42          2HG2      VAL  42 -18.272   9.208   1.443
  360   3HG2  VAL  42          3HG2      VAL  42 -18.251   7.445   1.411
  361    H    TYR  43           H        TYR  43 -20.380   8.966  -1.993
  362    HA   TYR  43           HA       TYR  43 -23.128   9.058  -2.380
  363   1HB   TYR  43          2HB       TYR  43 -21.534  10.732  -3.259
  364   2HB   TYR  43          1HB       TYR  43 -20.974   9.560  -4.446
  365    HD1  TYR  43           1HD      TYR  43 -23.794  11.701  -3.441
  366    HD2  TYR  43           2HD      TYR  43 -22.257   9.084  -6.420
  367    HE1  TYR  43           1HE      TYR  43 -25.546  12.451  -4.995
  368    HE2  TYR  43           2HE      TYR  43 -24.004   9.826  -7.981
  369    HH   TYR  43           HH       TYR  43 -25.453  11.927  -8.261
  370    H    ARG  44           H        ARG  44 -20.708   6.961  -3.849
  371    HA   ARG  44           HA       ARG  44 -22.345   5.809  -5.824
  372   1HB   ARG  44          2HB       ARG  44 -19.729   5.646  -5.281
  373   2HB   ARG  44          1HB       ARG  44 -20.249   4.138  -4.540
  374   1HG   ARG  44          2HG       ARG  44 -21.392   4.490  -7.176
  375   2HG   ARG  44          1HG       ARG  44 -19.630   4.552  -7.204
  376   1HD   ARG  44          2HD       ARG  44 -20.018   2.440  -5.569
  377   2HD   ARG  44          1HD       ARG  44 -21.443   2.309  -6.599
  378    HE   ARG  44           HE       ARG  44 -19.035   2.689  -8.094
  379   1HH1  ARG  44          1HH1      ARG  44 -20.997   0.307  -6.464
  380   2HH1  ARG  44          2HH1      ARG  44 -20.413  -1.011  -7.421
  381   1HH2  ARG  44          1HH2      ARG  44 -18.266   0.955  -9.355
  382   2HH2  ARG  44          2HH2      ARG  44 -18.862  -0.644  -9.063
  383    H    LEU  45           H        LEU  45 -21.678   4.872  -2.475
  384    HA   LEU  45           HA       LEU  45 -23.346   2.537  -2.606
  385   1HB   LEU  45          2HB       LEU  45 -21.824   3.954  -0.462
  386   2HB   LEU  45          1HB       LEU  45 -23.061   2.800  -0.001
  387    HG   LEU  45           HG       LEU  45 -20.772   1.841  -0.060
  388   1HD1  LEU  45          1HD1      LEU  45 -22.751   0.702  -2.027
  389   2HD1  LEU  45          2HD1      LEU  45 -22.678   0.378  -0.296
  390   3HD1  LEU  45          3HD1      LEU  45 -21.376  -0.170  -1.350
  391   1HD2  LEU  45          1HD2      LEU  45 -20.130   3.259  -2.091
  392   2HD2  LEU  45          2HD2      LEU  45 -20.936   2.017  -3.051
  393   3HD2  LEU  45          3HD2      LEU  45 -19.554   1.593  -2.041
  394    H    GLN  46           H        GLN  46 -23.704   5.866  -1.594
  395    HA   GLN  46           HA       GLN  46 -26.585   5.542  -1.522
  396   1HB   GLN  46          2HB       GLN  46 -24.937   5.916   0.889
  397   2HB   GLN  46          1HB       GLN  46 -26.278   7.042   0.743
  398   1HG   GLN  46          2HG       GLN  46 -26.877   4.192   0.256
  399   2HG   GLN  46          1HG       GLN  46 -26.495   4.659   1.912
  400   1HE2  GLN  46          1HE2      GLN  46 -28.414   5.882  -0.814
  401   2HE2  GLN  46          2HE2      GLN  46 -29.808   6.280   0.124
  402    HA   PRO  47           HA       PRO  47 -25.146   9.503  -3.410
  403   1HB   PRO  47          2HB       PRO  47 -26.906   9.459  -5.471
  404   2HB   PRO  47          1HB       PRO  47 -25.351   8.622  -5.521
  405   1HG   PRO  47          2HG       PRO  47 -28.072   7.525  -4.932
  406   2HG   PRO  47          1HG       PRO  47 -26.785   6.840  -5.942
  407   1HD   PRO  47          2HD       PRO  47 -27.258   5.995  -3.412
  408   2HD   PRO  47          1HD       PRO  47 -25.633   6.006  -4.127
  409    H    GLY  48           H        GLY  48 -28.431   8.314  -2.885
  410   1HA   GLY  48          2HA       GLY  48 -29.719  10.823  -2.928
  411   2HA   GLY  48          1HA       GLY  48 -30.339   9.368  -2.162
  412    H    LEU  49           H        LEU  49 -27.952   9.149  -0.426
  413    HA   LEU  49           HA       LEU  49 -28.842  11.060   1.595
  414   1HB   LEU  49          2HB       LEU  49 -27.317   8.484   1.668
  415   2HB   LEU  49          1HB       LEU  49 -27.249   9.585   3.031
  416    HG   LEU  49           HG       LEU  49 -28.938   7.709   3.187
  417   1HD1  LEU  49          1HD1      LEU  49 -29.053   9.616   4.657
  418   2HD1  LEU  49          2HD1      LEU  49 -30.682   9.167   4.149
  419   3HD1  LEU  49          3HD1      LEU  49 -29.884  10.560   3.420
  420   1HD2  LEU  49          1HD2      LEU  49 -30.712   9.368   1.455
  421   2HD2  LEU  49          2HD2      LEU  49 -30.840   7.665   1.895
  422   3HD2  LEU  49          3HD2      LEU  49 -29.636   8.181   0.715
  423    H    LEU  50           H        LEU  50 -27.005  11.752  -0.699
  424    HA   LEU  50           HA       LEU  50 -25.098  13.226   0.901
  425   1HB   LEU  50          2HB       LEU  50 -24.296  11.034  -0.966
  426   2HB   LEU  50          1HB       LEU  50 -23.263  12.440  -0.799
  427    HG   LEU  50           HG       LEU  50 -23.717  11.754   1.820
  428   1HD1  LEU  50          1HD1      LEU  50 -23.457   9.395   2.058
  429   2HD1  LEU  50          2HD1      LEU  50 -23.313   9.179   0.313
  430   3HD1  LEU  50          3HD1      LEU  50 -24.851   9.682   1.015
  431   1HD2  LEU  50          1HD2      LEU  50 -21.583  12.388   0.783
  432   2HD2  LEU  50          2HD2      LEU  50 -21.476  10.788   0.048
  433   3HD2  LEU  50          3HD2      LEU  50 -21.425  10.957   1.802
  434    H    GLU  51           H        GLU  51 -23.605  14.524  -0.690
  435    HA   GLU  51           HA       GLU  51 -24.831  15.221  -3.205
  436   1HB   GLU  51          2HB       GLU  51 -25.102  16.950  -0.783
  437   2HB   GLU  51          1HB       GLU  51 -24.868  17.722  -2.345
  438   1HG   GLU  51          2HG       GLU  51 -27.098  15.860  -1.568
  439   2HG   GLU  51          1HG       GLU  51 -27.212  17.595  -1.849
  440    HA   PRO  52           HA       PRO  52 -20.136  15.649  -2.599
  441   1HB   PRO  52          2HB       PRO  52 -19.715  14.439  -5.081
  442   2HB   PRO  52          1HB       PRO  52 -19.574  13.649  -3.510
  443   1HG   PRO  52          2HG       PRO  52 -21.848  13.640  -5.441
  444   2HG   PRO  52          1HG       PRO  52 -21.245  12.331  -4.407
  445   1HD   PRO  52          2HD       PRO  52 -23.469  13.671  -3.779
  446   2HD   PRO  52          1HD       PRO  52 -22.325  13.157  -2.520
  447    H    SER  53           H        SER  53 -22.317  16.154  -5.334
  448    HA   SER  53           HA       SER  53 -20.716  17.784  -6.911
  449   1HB   SER  53          2HB       SER  53 -22.732  18.533  -7.972
  450   2HB   SER  53          1HB       SER  53 -22.980  16.846  -7.514
  451    HG   SER  53           HG       SER  53 -24.139  17.579  -5.699
  452    H    GLU  54           H        GLU  54 -22.865  18.664  -4.245
  453    HA   GLU  54           HA       GLU  54 -22.356  21.460  -4.438
  454   1HB   GLU  54          2HB       GLU  54 -23.679  19.679  -2.428
  455   2HB   GLU  54          1HB       GLU  54 -23.299  21.338  -1.992
  456   1HG   GLU  54          2HG       GLU  54 -24.511  21.804  -4.313
  457   2HG   GLU  54          1HG       GLU  54 -25.300  20.284  -3.894
  458    H    LEU  55           H        LEU  55 -21.219  18.942  -2.190
  459    HA   LEU  55           HA       LEU  55 -19.490  20.650  -0.735
  460   1HB   LEU  55          2HB       LEU  55 -19.205  17.669  -1.043
  461   2HB   LEU  55          1HB       LEU  55 -18.643  18.664   0.285
  462    HG   LEU  55           HG       LEU  55 -21.560  18.694  -0.227
  463   1HD1  LEU  55          1HD1      LEU  55 -21.056  16.334  -0.543
  464   2HD1  LEU  55          2HD1      LEU  55 -21.901  16.598   0.982
  465   3HD1  LEU  55          3HD1      LEU  55 -20.161  16.309   0.975
  466   1HD2  LEU  55          1HD2      LEU  55 -20.624  19.983   1.589
  467   2HD2  LEU  55          2HD2      LEU  55 -19.833  18.548   2.241
  468   3HD2  LEU  55          3HD2      LEU  55 -21.593  18.661   2.241
  469    H    GLN  56           H        GLN  56 -19.215  19.291  -3.825
  470    HA   GLN  56           HA       GLN  56 -16.475  18.781  -4.010
  471   1HB   GLN  56          2HB       GLN  56 -18.047  18.060  -5.724
  472   2HB   GLN  56          1HB       GLN  56 -18.405  19.732  -6.131
  473   1HG   GLN  56          2HG       GLN  56 -15.932  19.944  -6.704
  474   2HG   GLN  56          1HG       GLN  56 -15.890  18.183  -6.634
  475   1HE2  GLN  56          1HE2      GLN  56 -17.705  20.844  -8.108
  476   2HE2  GLN  56          2HE2      GLN  56 -17.978  20.052  -9.619
  477    H    GLY  57           H        GLY  57 -18.287  21.776  -4.430
  478   1HA   GLY  57          2HA       GLY  57 -15.699  23.186  -4.641
  479   2HA   GLY  57          1HA       GLY  57 -17.178  23.753  -5.403
  480    H    LEU  58           H        LEU  58 -18.557  22.825  -2.777
  481    HA   LEU  58           HA       LEU  58 -18.857  25.318  -1.611
  482   1HB   LEU  58          2HB       LEU  58 -19.668  22.611  -1.036
  483   2HB   LEU  58          1HB       LEU  58 -19.263  23.452   0.447
  484    HG   LEU  58           HG       LEU  58 -20.796  25.333  -0.586
  485   1HD1  LEU  58          1HD1      LEU  58 -22.540  24.574  -1.967
  486   2HD1  LEU  58          2HD1      LEU  58 -22.089  22.883  -1.747
  487   3HD1  LEU  58          3HD1      LEU  58 -21.061  23.954  -2.699
  488   1HD2  LEU  58          1HD2      LEU  58 -22.318  23.009   0.462
  489   2HD2  LEU  58          2HD2      LEU  58 -22.374  24.707   0.935
  490   3HD2  LEU  58          3HD2      LEU  58 -21.040  23.686   1.471
  491    H    GLY  59           H        GLY  59 -16.434  22.869  -1.061
  492   1HA   GLY  59          2HA       GLY  59 -14.412  24.347  -0.129
  493   2HA   GLY  59          1HA       GLY  59 -15.412  24.215   1.310
  494    H    ALA  60           H        ALA  60 -12.750  23.237   1.023
  495    HA   ALA  60           HA       ALA  60 -12.836  20.402   0.605
  496   1HB   ALA  60          1HB       ALA  60 -10.752  21.295   0.134
  497   2HB   ALA  60          2HB       ALA  60 -10.508  20.592   1.733
  498   3HB   ALA  60          3HB       ALA  60 -10.758  22.329   1.562
  499    H    LEU  61           H        LEU  61 -12.301  22.428   3.493
  500    HA   LEU  61           HA       LEU  61 -12.344  20.351   5.363
  501   1HB   LEU  61          2HB       LEU  61 -12.721  23.294   5.460
  502   2HB   LEU  61          1HB       LEU  61 -13.257  22.374   6.853
  503    HG   LEU  61           HG       LEU  61 -10.760  21.346   6.479
  504   1HD1  LEU  61          1HD1      LEU  61 -10.416  23.067   4.670
  505   2HD1  LEU  61          2HD1      LEU  61  -9.216  23.059   5.962
  506   3HD1  LEU  61          3HD1      LEU  61 -10.479  24.290   5.938
  507   1HD2  LEU  61          1HD2      LEU  61 -11.815  22.161   8.573
  508   2HD2  LEU  61          2HD2      LEU  61 -11.400  23.809   8.097
  509   3HD2  LEU  61          3HD2      LEU  61 -10.124  22.632   8.407
  510    H    GLU  62           H        GLU  62 -14.954  22.251   3.958
  511    HA   GLU  62           HA       GLU  62 -16.992  21.278   5.684
  512   1HB   GLU  62          2HB       GLU  62 -16.874  22.857   3.175
  513   2HB   GLU  62          1HB       GLU  62 -18.388  22.028   3.511
  514   1HG   GLU  62          2HG       GLU  62 -18.579  23.158   5.636
  515   2HG   GLU  62          1HG       GLU  62 -17.010  23.927   5.395
  516    H    ALA  63           H        ALA  63 -15.918  20.356   2.426
  517    HA   ALA  63           HA       ALA  63 -17.866  18.370   1.988
  518   1HB   ALA  63          1HB       ALA  63 -16.306  19.456   0.295
  519   2HB   ALA  63          2HB       ALA  63 -16.607  17.727   0.116
  520   3HB   ALA  63          3HB       ALA  63 -15.097  18.290   0.832
  521    H    THR  64           H        THR  64 -14.584  18.199   3.324
  522    HA   THR  64           HA       THR  64 -14.553  15.385   3.641
  523    HB   THR  64           HB       THR  64 -12.508  16.770   3.585
  524    HG1  THR  64           1HG      THR  64 -12.605  14.681   4.677
  525   1HG2  THR  64          1HG2      THR  64 -13.297  18.656   4.955
  526   2HG2  THR  64          2HG2      THR  64 -11.756  17.998   5.504
  527   3HG2  THR  64          3HG2      THR  64 -13.241  17.614   6.375
  528    H    ALA  65           H        ALA  65 -15.234  18.033   5.916
  529    HA   ALA  65           HA       ALA  65 -15.716  16.368   8.148
  530   1HB   ALA  65          1HB       ALA  65 -15.210  18.645   8.559
  531   2HB   ALA  65          2HB       ALA  65 -16.881  18.406   9.068
  532   3HB   ALA  65          3HB       ALA  65 -16.533  19.197   7.531
  533    H    TRP  66           H        TRP  66 -17.885  17.813   5.741
  534    HA   TRP  66           HA       TRP  66 -20.283  16.882   6.922
  535   1HB   TRP  66          2HB       TRP  66 -19.958  18.714   5.129
  536   2HB   TRP  66          1HB       TRP  66 -19.960  17.386   3.973
  537    HD1  TRP  66           HD       TRP  66 -22.262  19.330   6.309
  538    HE1  TRP  66           1HE      TRP  66 -24.704  18.729   5.759
  539    HE3  TRP  66           3HE      TRP  66 -21.438  15.492   3.032
  540    HZ2  TRP  66           2HZ      TRP  66 -26.095  16.875   4.148
  541    HZ3  TRP  66           3HZ      TRP  66 -23.378  14.358   2.032
  542    HH2  TRP  66           HH       TRP  66 -25.658  15.037   2.580
  543    H    ALA  67           H        ALA  67 -18.151  15.567   4.429
  544    HA   ALA  67           HA       ALA  67 -19.795  13.327   3.817
  545   1HB   ALA  67          1HB       ALA  67 -17.831  12.471   2.629
  546   2HB   ALA  67          2HB       ALA  67 -16.843  13.738   3.355
  547   3HB   ALA  67          3HB       ALA  67 -18.141  14.163   2.239
  548    H    LEU  68           H        LEU  68 -17.121  13.874   6.049
  549    HA   LEU  68           HA       LEU  68 -16.735  11.180   6.798
  550   1HB   LEU  68          2HB       LEU  68 -15.963  13.834   7.877
  551   2HB   LEU  68          1HB       LEU  68 -15.910  12.482   8.993
  552    HG   LEU  68           HG       LEU  68 -14.423  12.647   6.371
  553   1HD1  LEU  68          1HD1      LEU  68 -12.438  12.629   7.961
  554   2HD1  LEU  68          2HD1      LEU  68 -13.591  13.057   9.226
  555   3HD1  LEU  68          3HD1      LEU  68 -13.359  14.130   7.846
  556   1HD2  LEU  68          1HD2      LEU  68 -14.895  10.468   8.313
  557   2HD2  LEU  68          2HD2      LEU  68 -13.251  10.646   7.701
  558   3HD2  LEU  68          3HD2      LEU  68 -14.588  10.399   6.577
  559    H    LYS  69           H        LYS  69 -18.789  13.748   8.104
  560    HA   LYS  69           HA       LYS  69 -19.700  12.247  10.342
  561   1HB   LYS  69          2HB       LYS  69 -20.768  14.704   8.958
  562   2HB   LYS  69          1HB       LYS  69 -21.538  14.004  10.376
  563   1HG   LYS  69          2HG       LYS  69 -19.271  14.243  11.517
  564   2HG   LYS  69          1HG       LYS  69 -18.834  15.281  10.158
  565   1HD   LYS  69          2HD       LYS  69 -21.242  16.320  10.857
  566   2HD   LYS  69          1HD       LYS  69 -20.635  15.789  12.426
  567   1HE   LYS  69          2HE       LYS  69 -19.378  17.618  12.517
  568   2HE   LYS  69          1HE       LYS  69 -18.482  17.041  11.114
  569   1HZ   LYS  69          1HZ       LYS  69 -21.034  18.494  10.804
  570   2HZ   LYS  69          2HZ       LYS  69 -19.795  18.282   9.673
  571   3HZ   LYS  69          3HZ       LYS  69 -19.573  19.327  10.984
  572    H    VAL  70           H        VAL  70 -21.142  12.978   7.171
  573    HA   VAL  70           HA       VAL  70 -23.503  11.469   7.621
  574    HB   VAL  70           HB       VAL  70 -23.858  11.637   5.184
  575   1HG1  VAL  70          1HG1      VAL  70 -23.417  14.292   5.191
  576   2HG1  VAL  70          2HG1      VAL  70 -23.271  13.952   6.915
  577   3HG1  VAL  70          3HG1      VAL  70 -24.748  13.521   6.055
  578   1HG2  VAL  70          1HG2      VAL  70 -22.064  13.218   4.062
  579   2HG2  VAL  70          2HG2      VAL  70 -21.859  11.467   4.084
  580   3HG2  VAL  70          3HG2      VAL  70 -21.002  12.468   5.254
  581    H    ALA  71           H        ALA  71 -20.421  10.729   6.033
  582    HA   ALA  71           HA       ALA  71 -21.057   8.232   4.980
  583   1HB   ALA  71          1HB       ALA  71 -18.426   9.188   6.109
  584   2HB   ALA  71          2HB       ALA  71 -18.975   9.346   4.440
  585   3HB   ALA  71          3HB       ALA  71 -18.638   7.750   5.110
  586    H    GLU  72           H        GLU  72 -19.900   9.122   8.196
  587    HA   GLU  72           HA       GLU  72 -19.795   6.466   9.205
  588   1HB   GLU  72          2HB       GLU  72 -18.490   8.226  10.247
  589   2HB   GLU  72          1HB       GLU  72 -19.947   9.135  10.618
  590   1HG   GLU  72          2HG       GLU  72 -20.648   7.132  12.021
  591   2HG   GLU  72          1HG       GLU  72 -18.986   6.574  11.844
  592    H    ASN  73           H        ASN  73 -22.236   9.002   9.162
  593    HA   ASN  73           HA       ASN  73 -24.048   7.693  10.916
  594   1HB   ASN  73          2HB       ASN  73 -24.100  10.124  10.492
  595   2HB   ASN  73          1HB       ASN  73 -24.605   9.812   8.835
  596   1HD2  ASN  73          1HD2      ASN  73 -25.559   8.611  12.038
  597   2HD2  ASN  73          2HD2      ASN  73 -27.251   8.889  11.826
  598    H    GLU  74           H        GLU  74 -23.731   7.827   7.399
  599    HA   GLU  74           HA       GLU  74 -26.080   6.221   6.966
  600   1HB   GLU  74          2HB       GLU  74 -24.808   8.033   5.435
  601   2HB   GLU  74          1HB       GLU  74 -24.109   6.556   4.782
  602   1HG   GLU  74          2HG       GLU  74 -27.027   7.277   4.922
  603   2HG   GLU  74          1HG       GLU  74 -26.021   7.163   3.478
  604    H    LEU  75           H        LEU  75 -22.575   5.707   6.787
  605    HA   LEU  75           HA       LEU  75 -22.975   2.914   6.080
  606   1HB   LEU  75          2HB       LEU  75 -21.151   4.548   5.184
  607   2HB   LEU  75          1HB       LEU  75 -20.306   4.127   6.662
  608    HG   LEU  75           HG       LEU  75 -21.278   2.025   4.742
  609   1HD1  LEU  75          1HD1      LEU  75 -19.552   3.909   3.924
  610   2HD1  LEU  75          2HD1      LEU  75 -19.474   2.225   3.403
  611   3HD1  LEU  75          3HD1      LEU  75 -18.431   2.795   4.707
  612   1HD2  LEU  75          1HD2      LEU  75 -19.601   2.125   7.176
  613   2HD2  LEU  75          2HD2      LEU  75 -19.082   1.030   5.895
  614   3HD2  LEU  75          3HD2      LEU  75 -20.691   0.865   6.598
  615    H    GLY  76           H        GLY  76 -21.941   4.824   8.850
  616   1HA   GLY  76          2HA       GLY  76 -21.968   4.148  11.087
  617   2HA   GLY  76          1HA       GLY  76 -22.316   2.511  10.556
  618    H    ILE  77           H        ILE  77 -19.636   4.475   9.411
  619    HA   ILE  77           HA       ILE  77 -17.792   2.540  10.650
  620    HB   ILE  77           HB       ILE  77 -17.752   2.534   8.192
  621   1HG1  ILE  77          2HG1      ILE  77 -15.146   3.785   8.716
  622   2HG1  ILE  77          1HG1      ILE  77 -15.602   2.567   9.901
  623   1HG2  ILE  77          1HG2      ILE  77 -16.805   5.386   8.418
  624   2HG2  ILE  77          2HG2      ILE  77 -18.402   4.885   7.864
  625   3HG2  ILE  77          3HG2      ILE  77 -16.969   4.445   6.935
  626   1HD1  ILE  77          1HD1      ILE  77 -16.178   1.229   7.662
  627   2HD1  ILE  77          2HD1      ILE  77 -14.588   1.206   8.424
  628   3HD1  ILE  77          3HD1      ILE  77 -14.895   2.276   7.057
  629    H    THR  78           H        THR  78 -16.367   3.239  12.108
  630    HA   THR  78           HA       THR  78 -16.403   5.964  12.965
  631    HB   THR  78           HB       THR  78 -14.337   3.980  13.854
  632    HG1  THR  78           1HG      THR  78 -17.102   3.943  14.431
  633   1HG2  THR  78          1HG2      THR  78 -15.567   6.405  14.943
  634   2HG2  THR  78          2HG2      THR  78 -13.978   5.699  15.235
  635   3HG2  THR  78          3HG2      THR  78 -15.390   5.072  16.083
  636    HA   PRO  79           HA       PRO  79 -13.332   7.491  10.090
  637   1HB   PRO  79          2HB       PRO  79 -12.997   9.559  12.201
  638   2HB   PRO  79          1HB       PRO  79 -13.309   9.755  10.473
  639   1HG   PRO  79          2HG       PRO  79 -15.243  10.164  12.258
  640   2HG   PRO  79          1HG       PRO  79 -15.585   9.378  10.705
  641   1HD   PRO  79          2HD       PRO  79 -15.307   8.168  13.423
  642   2HD   PRO  79          1HD       PRO  79 -16.419   7.744  12.106
  643    H    VAL  80           H        VAL  80 -11.067   7.722   9.986
  644    HA   VAL  80           HA       VAL  80  -9.606   6.876  12.402
  645    HB   VAL  80           HB       VAL  80  -8.893   6.039   9.593
  646   1HG1  VAL  80          1HG1      VAL  80  -7.713   5.621  12.282
  647   2HG1  VAL  80          2HG1      VAL  80  -6.927   5.814  10.715
  648   3HG1  VAL  80          3HG1      VAL  80  -7.664   4.270  11.148
  649   1HG2  VAL  80          1HG2      VAL  80  -9.775   3.851  10.121
  650   2HG2  VAL  80          2HG2      VAL  80 -11.045   5.060  10.312
  651   3HG2  VAL  80          3HG2      VAL  80 -10.241   4.396  11.733
  652    H    VAL  81           H        VAL  81 -10.015   9.333  10.234
  653    HA   VAL  81           HA       VAL  81  -7.395  10.442  10.889
  654    HB   VAL  81           HB       VAL  81  -8.444  10.520   8.060
  655   1HG1  VAL  81          1HG1      VAL  81  -7.099  12.374   8.259
  656   2HG1  VAL  81          2HG1      VAL  81  -5.925  11.156   7.758
  657   3HG1  VAL  81          3HG1      VAL  81  -6.048  11.617   9.456
  658   1HG2  VAL  81          1HG2      VAL  81  -6.570   8.630   9.411
  659   2HG2  VAL  81          2HG2      VAL  81  -6.303   9.060   7.721
  660   3HG2  VAL  81          3HG2      VAL  81  -7.821   8.308   8.208
  661    H    SER  82           H        SER  82  -7.280  12.776  10.552
  662    HA   SER  82           HA       SER  82  -9.804  14.031  11.206
  663   1HB   SER  82          2HB       SER  82  -6.931  14.824  11.303
  664   2HB   SER  82          1HB       SER  82  -8.132  16.108  11.188
  665    HG   SER  82           HG       SER  82  -8.018  15.796  13.313
  666    H    ALA  83           H        ALA  83 -10.551  15.978  10.130
  667    HA   ALA  83           HA       ALA  83 -10.750  15.650   7.335
  668   1HB   ALA  83          1HB       ALA  83 -12.595  16.734   8.074
  669   2HB   ALA  83          2HB       ALA  83 -11.642  18.155   7.648
  670   3HB   ALA  83          3HB       ALA  83 -11.713  17.610   9.324
  671    H    GLN  84           H        GLN  84  -8.900  17.923   9.329
  672    HA   GLN  84           HA       GLN  84  -7.857  19.450   7.204
  673   1HB   GLN  84          2HB       GLN  84  -6.218  20.259   8.831
  674   2HB   GLN  84          1HB       GLN  84  -7.834  20.234   9.521
  675   1HG   GLN  84          2HG       GLN  84  -6.929  19.171  11.245
  676   2HG   GLN  84          1HG       GLN  84  -6.834  17.761  10.190
  677   1HE2  GLN  84          1HE2      GLN  84  -5.084  20.385  11.642
  678   2HE2  GLN  84          2HE2      GLN  84  -3.499  19.791  11.294
  679    H    ALA  85           H        ALA  85  -6.818  16.452   8.692
  680    HA   ALA  85           HA       ALA  85  -4.220  16.382   7.562
  681   1HB   ALA  85          1HB       ALA  85  -5.889  14.021   8.405
  682   2HB   ALA  85          2HB       ALA  85  -4.978  15.039   9.520
  683   3HB   ALA  85          3HB       ALA  85  -4.132  14.106   8.285
  684    H    VAL  86           H        VAL  86  -7.307  14.930   6.556
  685    HA   VAL  86           HA       VAL  86  -6.287  13.596   4.294
  686    HB   VAL  86           HB       VAL  86  -8.663  13.572   3.492
  687   1HG1  VAL  86          1HG1      VAL  86  -9.352  11.965   5.054
  688   2HG1  VAL  86          2HG1      VAL  86  -8.490  12.751   6.375
  689   3HG1  VAL  86          3HG1      VAL  86  -7.590  11.917   5.107
  690   1HG2  VAL  86          1HG2      VAL  86  -9.222  15.000   6.091
  691   2HG2  VAL  86          2HG2      VAL  86 -10.411  14.424   4.923
  692   3HG2  VAL  86          3HG2      VAL  86  -9.319  15.738   4.492
  693    H    VAL  87           H        VAL  87  -7.675  16.828   4.698
  694    HA   VAL  87           HA       VAL  87  -7.677  17.472   1.929
  695    HB   VAL  87           HB       VAL  87  -7.651  19.331   4.314
  696   1HG1  VAL  87          1HG1      VAL  87  -6.989  20.501   2.304
  697   2HG1  VAL  87          2HG1      VAL  87  -8.629  20.971   2.747
  698   3HG1  VAL  87          3HG1      VAL  87  -8.365  19.833   1.426
  699   1HG2  VAL  87          1HG2      VAL  87  -9.539  17.664   4.177
  700   2HG2  VAL  87          2HG2      VAL  87 -10.026  18.462   2.682
  701   3HG2  VAL  87          3HG2      VAL  87 -10.017  19.360   4.200
  702    H    ALA  88           H        ALA  88  -5.319  17.758   4.501
  703    HA   ALA  88           HA       ALA  88  -3.515  19.332   2.856
  704   1HB   ALA  88          1HB       ALA  88  -2.097  19.439   4.791
  705   2HB   ALA  88          2HB       ALA  88  -3.040  18.191   5.604
  706   3HB   ALA  88          3HB       ALA  88  -3.757  19.770   5.284
  707    H    GLY  89           H        GLY  89  -4.180  16.041   3.379
  708   1HA   GLY  89          2HA       GLY  89  -3.127  14.120   2.699
  709   2HA   GLY  89          1HA       GLY  89  -2.240  15.140   1.577
  710    H    SER  90           H        SER  90  -2.099  15.537   5.055
  711    HA   SER  90           HA       SER  90   0.757  14.904   4.949
  712   1HB   SER  90          2HB       SER  90  -0.942  16.655   6.646
  713   2HB   SER  90          1HB       SER  90   0.458  15.911   7.420
  714    HG   SER  90           HG       SER  90   0.354  17.757   5.313
  715    H    ASP  91           H        ASP  91  -1.252  12.807   4.958
  716    HA   ASP  91           HA       ASP  91  -0.173  11.236   7.115
  717   1HB   ASP  91          2HB       ASP  91  -2.904  12.355   7.244
  718   2HB   ASP  91          1HB       ASP  91  -2.782  10.632   7.591
  719    HA   PRO  92           HA       PRO  92  -1.089   8.996   3.128
  720   1HB   PRO  92          2HB       PRO  92   1.222   7.516   3.266
  721   2HB   PRO  92          1HB       PRO  92   1.087   9.069   2.437
  722   1HG   PRO  92          2HG       PRO  92   2.144   8.463   5.168
  723   2HG   PRO  92          1HG       PRO  92   2.779   9.576   3.942
  724   1HD   PRO  92          2HD       PRO  92   1.367  10.459   6.049
  725   2HD   PRO  92          1HD       PRO  92   1.228  11.222   4.450
  726    H    LEU  93           H        LEU  93   0.326   7.734   6.138
  727    HA   LEU  93           HA       LEU  93  -0.559   5.081   5.821
  728   1HB   LEU  93          2HB       LEU  93   0.443   6.740   8.071
  729   2HB   LEU  93          1HB       LEU  93  -0.412   5.265   8.484
  730    HG   LEU  93           HG       LEU  93   1.989   5.366   6.658
  731   1HD1  LEU  93          1HD1      LEU  93   1.736   5.117   9.608
  732   2HD1  LEU  93          2HD1      LEU  93   2.995   5.881   8.637
  733   3HD1  LEU  93          3HD1      LEU  93   2.940   4.124   8.786
  734   1HD2  LEU  93          1HD2      LEU  93   1.170   2.905   8.064
  735   2HD2  LEU  93          2HD2      LEU  93   1.815   3.125   6.438
  736   3HD2  LEU  93          3HD2      LEU  93   0.111   3.447   6.761
  737    H    GLY  94           H        GLY  94  -2.051   7.911   7.316
  738   1HA   GLY  94          2HA       GLY  94  -4.248   6.561   8.478
  739   2HA   GLY  94          1HA       GLY  94  -4.176   8.277   8.107
  740    H    LEU  95           H        LEU  95  -3.868   8.197   5.351
  741    HA   LEU  95           HA       LEU  95  -6.516   7.931   4.484
  742   1HB   LEU  95          2HB       LEU  95  -4.629   9.313   3.467
  743   2HB   LEU  95          1HB       LEU  95  -4.114   7.835   2.675
  744    HG   LEU  95           HG       LEU  95  -6.591   7.783   1.806
  745   1HD1  LEU  95          1HD1      LEU  95  -6.212  10.746   2.150
  746   2HD1  LEU  95          2HD1      LEU  95  -7.190   9.765   3.244
  747   3HD1  LEU  95          3HD1      LEU  95  -7.629   9.891   1.540
  748   1HD2  LEU  95          1HD2      LEU  95  -4.189   9.206   0.838
  749   2HD2  LEU  95          2HD2      LEU  95  -5.705   9.560   0.012
  750   3HD2  LEU  95          3HD2      LEU  95  -5.114   7.901   0.096
  751    H    ILE  96           H        ILE  96  -3.734   5.772   4.121
  752    HA   ILE  96           HA       ILE  96  -5.053   3.857   2.499
  753    HB   ILE  96           HB       ILE  96  -2.712   3.375   4.344
  754   1HG1  ILE  96          2HG1      ILE  96  -2.430   3.963   1.421
  755   2HG1  ILE  96          1HG1      ILE  96  -2.619   5.301   2.550
  756   1HG2  ILE  96          1HG2      ILE  96  -2.192   1.516   2.950
  757   2HG2  ILE  96          2HG2      ILE  96  -3.443   1.960   1.789
  758   3HG2  ILE  96          3HG2      ILE  96  -3.892   1.383   3.394
  759   1HD1  ILE  96          1HD1      ILE  96  -0.464   5.209   3.012
  760   2HD1  ILE  96          2HD1      ILE  96  -0.280   3.859   1.892
  761   3HD1  ILE  96          3HD1      ILE  96  -0.648   3.553   3.589
  762    H    ALA  97           H        ALA  97  -4.571   4.151   5.991
  763    HA   ALA  97           HA       ALA  97  -5.608   1.659   6.744
  764   1HB   ALA  97          1HB       ALA  97  -5.976   2.709   8.957
  765   2HB   ALA  97          2HB       ALA  97  -5.589   4.276   8.244
  766   3HB   ALA  97          3HB       ALA  97  -4.364   3.008   8.306
  767    H    TYR  98           H        TYR  98  -7.200   4.790   6.267
  768    HA   TYR  98           HA       TYR  98  -9.775   3.913   7.078
  769   1HB   TYR  98          2HB       TYR  98  -8.816   6.333   6.801
  770   2HB   TYR  98          1HB       TYR  98  -9.376   6.167   5.141
  771    HD1  TYR  98           1HD      TYR  98 -10.919   4.972   8.318
  772    HD2  TYR  98           2HD      TYR  98 -11.225   7.566   4.960
  773    HE1  TYR  98           1HE      TYR  98 -13.185   5.612   9.026
  774    HE2  TYR  98           2HE      TYR  98 -13.491   8.216   5.660
  775    HH   TYR  98           HH       TYR  98 -14.700   8.119   8.304
  776    H    LEU  99           H        LEU  99  -8.141   4.140   3.955
  777    HA   LEU  99           HA       LEU  99 -10.315   3.564   2.298
  778   1HB   LEU  99          2HB       LEU  99  -7.367   3.384   2.073
  779   2HB   LEU  99          1HB       LEU  99  -8.293   2.442   0.920
  780    HG   LEU  99           HG       LEU  99  -9.087   5.280   1.244
  781   1HD1  LEU  99          1HD1      LEU  99  -6.847   4.845  -0.618
  782   2HD1  LEU  99          2HD1      LEU  99  -6.431   4.872   1.095
  783   3HD1  LEU  99          3HD1      LEU  99  -7.254   6.251   0.365
  784   1HD2  LEU  99          1HD2      LEU  99  -9.821   3.285  -0.421
  785   2HD2  LEU  99          2HD2      LEU  99  -8.569   4.066  -1.386
  786   3HD2  LEU  99          3HD2      LEU  99  -9.951   5.000  -0.815
  787    H    SER 100           H        SER 100  -8.075   1.416   3.987
  788    HA   SER 100           HA       SER 100  -8.919  -1.005   2.865
  789   1HB   SER 100          2HB       SER 100  -6.893  -0.990   4.127
  790   2HB   SER 100          1HB       SER 100  -7.710  -0.357   5.556
  791    HG   SER 100           HG       SER 100  -7.449  -2.536   5.859
  792    H    HIS 101           H        HIS 101 -10.181   0.882   5.551
  793    HA   HIS 101           HA       HIS 101 -11.981  -1.063   6.535
  794   1HB   HIS 101          2HB       HIS 101 -11.292   1.651   7.119
  795   2HB   HIS 101          1HB       HIS 101 -13.043   1.533   7.009
  796    HD1  HIS 101           1HD      HIS 101 -13.040  -1.481   8.178
  797    HD2  HIS 101           2HD      HIS 101 -11.343   1.898   9.899
  798    HE1  HIS 101           1HE      HIS 101 -12.897  -1.981  10.638
  799    HE2  HIS 101           2HE      HIS 101 -11.773   0.038  11.644
  800    H    PHE 102           H        PHE 102 -12.331   1.545   4.165
  801    HA   PHE 102           HA       PHE 102 -15.098   1.269   3.738
  802   1HB   PHE 102          2HB       PHE 102 -12.846   2.407   2.111
  803   2HB   PHE 102          1HB       PHE 102 -14.462   2.288   1.427
  804    HD1  PHE 102           1HD      PHE 102 -16.260   3.027   3.483
  805    HD2  PHE 102           2HD      PHE 102 -12.373   4.568   2.693
  806    HE1  PHE 102           1HE      PHE 102 -16.880   5.141   4.579
  807    HE2  PHE 102           2HE      PHE 102 -12.985   6.686   3.788
  808    HZ   PHE 102           HZ       PHE 102 -15.241   6.974   4.734
  809    H    HIS 103           H        HIS 103 -12.320  -0.375   2.356
  810    HA   HIS 103           HA       HIS 103 -13.651  -1.673   0.239
  811   1HB   HIS 103          2HB       HIS 103 -11.078  -1.444   0.874
  812   2HB   HIS 103          1HB       HIS 103 -11.367  -3.020   1.607
  813    HD1  HIS 103           1HD      HIS 103 -12.643  -4.749  -0.203
  814    HD2  HIS 103           2HD      HIS 103 -10.324  -1.646  -1.705
  815    HE1  HIS 103           1HE      HIS 103 -12.084  -5.410  -2.563
  816    HE2  HIS 103           2HE      HIS 103 -10.609  -3.558  -3.424
  817    H    SER 104           H        SER 104 -13.058  -2.609   3.600
  818    HA   SER 104           HA       SER 104 -13.969  -5.236   3.496
  819   1HB   SER 104          2HB       SER 104 -13.982  -3.187   5.709
  820   2HB   SER 104          1HB       SER 104 -14.560  -4.834   5.960
  821    HG   SER 104           HG       SER 104 -12.570  -5.509   5.987
  822    H    ALA 105           H        ALA 105 -15.772  -2.227   3.938
  823    HA   ALA 105           HA       ALA 105 -18.291  -3.606   4.232
  824   1HB   ALA 105          1HB       ALA 105 -17.362  -0.805   4.361
  825   2HB   ALA 105          2HB       ALA 105 -18.472  -1.684   5.412
  826   3HB   ALA 105          3HB       ALA 105 -19.036  -1.058   3.864
  827    H    PHE 106           H        PHE 106 -16.622  -1.755   1.727
  828    HA   PHE 106           HA       PHE 106 -18.751  -1.708  -0.128
  829   1HB   PHE 106          2HB       PHE 106 -15.786  -1.313  -0.310
  830   2HB   PHE 106          1HB       PHE 106 -16.739  -1.430  -1.785
  831    HD1  PHE 106           1HD      PHE 106 -17.793   0.135   1.402
  832    HD2  PHE 106           2HD      PHE 106 -16.530   0.747  -2.614
  833    HE1  PHE 106           1HE      PHE 106 -18.371   2.519   1.589
  834    HE2  PHE 106           2HE      PHE 106 -17.106   3.133  -2.437
  835    HZ   PHE 106           HZ       PHE 106 -18.026   4.021  -0.333
  836    H    LYS 107           H        LYS 107 -16.120  -3.988   0.443
  837    HA   LYS 107           HA       LYS 107 -16.649  -5.595  -1.850
  838   1HB   LYS 107          2HB       LYS 107 -14.516  -5.437  -0.332
  839   2HB   LYS 107          1HB       LYS 107 -15.326  -6.682   0.608
  840   1HG   LYS 107          2HG       LYS 107 -15.512  -8.014  -1.517
  841   2HG   LYS 107          1HG       LYS 107 -14.445  -6.822  -2.262
  842   1HD   LYS 107          2HD       LYS 107 -13.132  -7.468   0.073
  843   2HD   LYS 107          1HD       LYS 107 -13.828  -9.009  -0.433
  844   1HE   LYS 107          2HE       LYS 107 -12.486  -9.166  -2.238
  845   2HE   LYS 107          1HE       LYS 107 -12.563  -7.436  -2.573
  846   1HZ   LYS 107          1HZ       LYS 107 -10.821  -6.995  -1.166
  847   2HZ   LYS 107          2HZ       LYS 107 -10.354  -8.500  -1.784
  848   3HZ   LYS 107          3HZ       LYS 107 -11.046  -8.396  -0.245
  849    H    SER 108           H        SER 108 -17.472  -5.896   1.593
  850    HA   SER 108           HA       SER 108 -18.804  -8.355   1.429
  851   1HB   SER 108          2HB       SER 108 -18.687  -6.118   3.366
  852   2HB   SER 108          1HB       SER 108 -20.110  -7.155   3.475
  853    HG   SER 108           HG       SER 108 -17.387  -7.868   3.730
  854    H    MET 109           H        MET 109 -20.342  -5.153   1.767
  855    HA   MET 109           HA       MET 109 -22.913  -6.022   1.069
  856   1HB   MET 109          2HB       MET 109 -21.574  -3.472   1.543
  857   2HB   MET 109          1HB       MET 109 -22.837  -3.352   0.327
  858   1HG   MET 109          2HG       MET 109 -24.189  -3.040   2.074
  859   2HG   MET 109          1HG       MET 109 -24.099  -4.793   2.242
  860   1HE   MET 109          1HE       MET 109 -24.831  -3.231   5.083
  861   2HE   MET 109          2HE       MET 109 -23.858  -4.455   5.898
  862   3HE   MET 109          3HE       MET 109 -24.789  -4.881   4.462
  Start of MODEL   15
    1   1H    MET  -8          1HT       MET  -8  25.421 -16.902  -8.136
    2   2H    MET  -8          2HT       MET  -8  24.131 -15.941  -7.539
    3   3H    MET  -8          3HT       MET  -8  24.829 -15.591  -9.067
    4    HA   MET  -8           HA       MET  -8  22.798 -16.647  -9.442
    5   1HB   MET  -8          2HB       MET  -8  25.242 -18.376  -9.824
    6   2HB   MET  -8          1HB       MET  -8  23.680 -18.789 -10.516
    7   1HG   MET  -8          2HG       MET  -8  25.127 -16.206 -11.043
    8   2HG   MET  -8          1HG       MET  -8  25.232 -17.632 -12.075
    9   1HE   MET  -8          1HE       MET  -8  21.743 -14.813 -11.405
   10   2HE   MET  -8          2HE       MET  -8  23.249 -14.198 -12.085
   11   3HE   MET  -8          3HE       MET  -8  23.248 -14.966 -10.498
   12    H    GLY  -7           H        GLY  -7  21.190 -17.968  -8.770
   13   1HA   GLY  -7          2HA       GLY  -7  21.050 -20.365  -7.677
   14   2HA   GLY  -7          1HA       GLY  -7  21.657 -19.459  -6.298
   15    H    HIS  -6           H        HIS  -6  19.119 -20.891  -6.636
   16    HA   HIS  -6           HA       HIS  -6  17.035 -18.967  -6.944
   17   1HB   HIS  -6          2HB       HIS  -6  17.193 -21.817  -6.053
   18   2HB   HIS  -6          1HB       HIS  -6  15.733 -20.900  -5.695
   19    HD1  HIS  -6           1HD      HIS  -6  17.794 -20.803  -8.882
   20    HD2  HIS  -6           2HD      HIS  -6  14.005 -21.877  -7.556
   21    HE1  HIS  -6           1HE      HIS  -6  16.493 -21.377 -10.957
   22    HE2  HIS  -6           2HE      HIS  -6  14.180 -21.946 -10.135
   23    H    HIS  -5           H        HIS  -5  18.254 -17.455  -5.408
   24    HA   HIS  -5           HA       HIS  -5  17.370 -17.945  -2.640
   25   1HB   HIS  -5          2HB       HIS  -5  19.799 -16.604  -3.761
   26   2HB   HIS  -5          1HB       HIS  -5  19.167 -16.066  -2.210
   27    HD1  HIS  -5           1HD      HIS  -5  21.004 -16.976  -0.737
   28    HD2  HIS  -5           2HD      HIS  -5  19.355 -19.859  -3.234
   29    HE1  HIS  -5           1HE      HIS  -5  21.953 -19.168   0.050
   30    HE2  HIS  -5           2HE      HIS  -5  20.872 -20.906  -1.419
   31    H    HIS  -4           H        HIS  -4  15.526 -16.887  -2.296
   32    HA   HIS  -4           HA       HIS  -4  13.987 -15.220  -2.161
   33   1HB   HIS  -4          2HB       HIS  -4  16.559 -13.699  -2.328
   34   2HB   HIS  -4          1HB       HIS  -4  15.036 -12.821  -2.404
   35    HD1  HIS  -4           1HD      HIS  -4  15.212 -11.700  -0.138
   36    HD2  HIS  -4           2HD      HIS  -4  15.579 -15.835   0.055
   37    HE1  HIS  -4           1HE      HIS  -4  15.118 -12.270   2.309
   38    HE2  HIS  -4           2HE      HIS  -4  15.254 -14.784   2.396
   39    H    HIS  -3           H        HIS  -3  12.943 -13.412  -3.410
   40    HA   HIS  -3           HA       HIS  -3  13.446 -13.757  -6.294
   41   1HB   HIS  -3          2HB       HIS  -3  11.195 -14.554  -4.990
   42   2HB   HIS  -3          1HB       HIS  -3  10.737 -12.923  -5.470
   43    HD1  HIS  -3           1HD      HIS  -3  12.735 -13.531  -8.143
   44    HD2  HIS  -3           2HD      HIS  -3   9.181 -15.320  -6.941
   45    HE1  HIS  -3           1HE      HIS  -3  11.764 -14.563 -10.220
   46    HE2  HIS  -3           2HE      HIS  -3   9.658 -15.714  -9.452
   47    H    HIS  -2           H        HIS  -2  11.799 -11.837  -7.307
   48    HA   HIS  -2           HA       HIS  -2  13.331  -9.488  -6.969
   49   1HB   HIS  -2          2HB       HIS  -2  11.550 -10.421  -8.857
   50   2HB   HIS  -2          1HB       HIS  -2  10.673  -9.078  -8.130
   51    HD1  HIS  -2           1HD      HIS  -2  11.292  -8.521 -10.901
   52    HD2  HIS  -2           2HD      HIS  -2  14.138  -7.889  -7.941
   53    HE1  HIS  -2           1HE      HIS  -2  12.928  -6.881 -11.880
   54    HE2  HIS  -2           2HE      HIS  -2  14.690  -6.582 -10.103
   55    H    HIS  -1           H        HIS  -1  13.116  -7.807  -5.632
   56    HA   HIS  -1           HA       HIS  -1  11.314  -7.912  -3.450
   57   1HB   HIS  -1          2HB       HIS  -1  13.265  -5.861  -4.458
   58   2HB   HIS  -1          1HB       HIS  -1  12.180  -5.481  -3.125
   59    HD1  HIS  -1           1HD      HIS  -1  12.295  -7.625  -1.218
   60    HD2  HIS  -1           2HD      HIS  -1  15.637  -6.699  -3.504
   61    HE1  HIS  -1           1HE      HIS  -1  14.255  -8.570   0.044
   62    HE2  HIS  -1           2HE      HIS  -1  16.275  -7.920  -1.316
   63    H    MET   0           H        MET   0   9.193  -7.631  -3.701
   64    HA   MET   0           HA       MET   0   8.244  -5.155  -4.893
   65   1HB   MET   0          2HB       MET   0   8.273  -7.355  -6.487
   66   2HB   MET   0          1HB       MET   0   6.684  -7.508  -5.751
   67   1HG   MET   0          2HG       MET   0   6.226  -5.154  -6.462
   68   2HG   MET   0          1HG       MET   0   7.739  -5.203  -7.365
   69   1HE   MET   0          1HE       MET   0   5.609  -4.246  -8.650
   70   2HE   MET   0          2HE       MET   0   4.498  -5.247  -9.584
   71   3HE   MET   0          3HE       MET   0   6.147  -4.991 -10.155
   72    H    GLY   1           H        GLY   1   6.908  -4.283  -3.463
   73   1HA   GLY   1          2HA       GLY   1   4.753  -5.787  -2.305
   74   2HA   GLY   1          1HA       GLY   1   5.998  -5.382  -1.133
   75    H    SER   2           H        SER   2   6.660  -2.987  -1.204
   76    HA   SER   2           HA       SER   2   4.411  -1.439  -0.542
   77   1HB   SER   2          2HB       SER   2   6.973  -1.185   0.073
   78   2HB   SER   2          1HB       SER   2   6.973  -0.109  -1.325
   79    HG   SER   2           HG       SER   2   6.506   1.059   0.549
   80    H    ALA   3           H        ALA   3   6.428  -1.525  -3.452
   81    HA   ALA   3           HA       ALA   3   4.700   0.447  -4.741
   82   1HB   ALA   3          1HB       ALA   3   6.423   0.926  -6.116
   83   2HB   ALA   3          2HB       ALA   3   6.906  -0.763  -6.277
   84   3HB   ALA   3          3HB       ALA   3   7.375   0.156  -4.846
   85    H    GLY   4           H        GLY   4   4.062  -2.510  -4.129
   86   1HA   GLY   4          2HA       GLY   4   3.249  -3.214  -6.882
   87   2HA   GLY   4          1HA       GLY   4   3.707  -4.415  -5.683
   88    H    THR   5           H        THR   5   2.327  -3.193  -3.478
   89    HA   THR   5           HA       THR   5  -0.343  -4.148  -4.089
   90    HB   THR   5           HB       THR   5  -0.728  -4.012  -1.682
   91    HG1  THR   5           1HG      THR   5   0.506  -2.133  -1.273
   92   1HG2  THR   5          1HG2      THR   5   0.260  -5.978  -1.521
   93   2HG2  THR   5          2HG2      THR   5   1.783  -5.154  -1.189
   94   3HG2  THR   5          3HG2      THR   5   1.352  -5.580  -2.846
   95    H    GLN   6           H        GLN   6   1.295  -1.148  -3.381
   96    HA   GLN   6           HA       GLN   6  -0.950   0.436  -2.774
   97   1HB   GLN   6          2HB       GLN   6   1.516   1.003  -2.449
   98   2HB   GLN   6          1HB       GLN   6   1.539   1.430  -4.154
   99   1HG   GLN   6          2HG       GLN   6   1.066   3.477  -3.376
  100   2HG   GLN   6          1HG       GLN   6  -0.586   2.862  -3.344
  101   1HE2  GLN   6          1HE2      GLN   6   0.554   4.947  -1.727
  102   2HE2  GLN   6          2HE2      GLN   6   0.409   4.443  -0.081
  103    H    GLU   7           H        GLU   7   0.474  -0.568  -5.813
  104    HA   GLU   7           HA       GLU   7  -0.801   1.274  -7.507
  105   1HB   GLU   7          2HB       GLU   7   1.104  -0.326  -8.063
  106   2HB   GLU   7          1HB       GLU   7  -0.128  -1.566  -8.258
  107   1HG   GLU   7          2HG       GLU   7  -0.704  -0.826 -10.272
  108   2HG   GLU   7          1HG       GLU   7  -0.746   0.854  -9.737
  109    H    GLU   8           H        GLU   8  -1.779  -1.990  -6.482
  110    HA   GLU   8           HA       GLU   8  -4.170  -2.047  -7.985
  111   1HB   GLU   8          2HB       GLU   8  -4.799  -3.948  -6.595
  112   2HB   GLU   8          1HB       GLU   8  -3.119  -4.077  -7.096
  113   1HG   GLU   8          2HG       GLU   8  -2.316  -3.718  -4.981
  114   2HG   GLU   8          1HG       GLU   8  -3.752  -2.834  -4.467
  115    H    LEU   9           H        LEU   9  -3.367  -0.764  -4.837
  116    HA   LEU   9           HA       LEU   9  -6.003  -0.459  -3.860
  117   1HB   LEU   9          2HB       LEU   9  -3.658  -0.242  -2.685
  118   2HB   LEU   9          1HB       LEU   9  -3.828   1.449  -3.117
  119    HG   LEU   9           HG       LEU   9  -6.242   0.970  -1.951
  120   1HD1  LEU   9          1HD1      LEU   9  -6.120  -0.472  -0.165
  121   2HD1  LEU   9          2HD1      LEU   9  -4.357  -0.433  -0.114
  122   3HD1  LEU   9          3HD1      LEU   9  -5.184  -1.344  -1.378
  123   1HD2  LEU   9          1HD2      LEU   9  -5.015   2.891  -1.396
  124   2HD2  LEU   9          2HD2      LEU   9  -3.639   1.951  -0.818
  125   3HD2  LEU   9          3HD2      LEU   9  -5.138   1.986   0.112
  126    H    LEU  10           H        LEU  10  -3.830   1.746  -5.592
  127    HA   LEU  10           HA       LEU  10  -5.552   3.970  -5.606
  128   1HB   LEU  10          2HB       LEU  10  -2.987   3.465  -6.440
  129   2HB   LEU  10          1HB       LEU  10  -3.829   3.690  -7.961
  130    HG   LEU  10           HG       LEU  10  -4.747   5.856  -6.751
  131   1HD1  LEU  10          1HD1      LEU  10  -2.043   5.889  -5.536
  132   2HD1  LEU  10          2HD1      LEU  10  -3.307   4.994  -4.693
  133   3HD1  LEU  10          3HD1      LEU  10  -3.523   6.710  -5.039
  134   1HD2  LEU  10          1HD2      LEU  10  -2.400   6.890  -7.528
  135   2HD2  LEU  10          2HD2      LEU  10  -3.648   6.368  -8.659
  136   3HD2  LEU  10          3HD2      LEU  10  -2.289   5.304  -8.293
  137    H    ARG  11           H        ARG  11  -5.271   1.186  -7.717
  138    HA   ARG  11           HA       ARG  11  -6.872   2.130  -9.836
  139   1HB   ARG  11          2HB       ARG  11  -6.345  -0.688  -8.881
  140   2HB   ARG  11          1HB       ARG  11  -7.151  -0.289 -10.393
  141   1HG   ARG  11          2HG       ARG  11  -4.507   0.945  -9.931
  142   2HG   ARG  11          1HG       ARG  11  -4.540  -0.795 -10.222
  143   1HD   ARG  11          2HD       ARG  11  -6.257   0.220 -12.134
  144   2HD   ARG  11          1HD       ARG  11  -4.965   1.417 -12.063
  145    HE   ARG  11           HE       ARG  11  -3.538  -0.111 -13.003
  146   1HH1  ARG  11          1HH1      ARG  11  -6.418  -1.759 -11.920
  147   2HH1  ARG  11          2HH1      ARG  11  -5.998  -3.257 -12.681
  148   1HH2  ARG  11          1HH2      ARG  11  -2.986  -2.080 -14.006
  149   2HH2  ARG  11          2HH2      ARG  11  -4.049  -3.440 -13.865
  150    H    TRP  12           H        TRP  12  -7.652   0.374  -6.870
  151    HA   TRP  12           HA       TRP  12 -10.392  -0.030  -7.464
  152   1HB   TRP  12          2HB       TRP  12  -9.196  -1.351  -5.771
  153   2HB   TRP  12          1HB       TRP  12  -9.005   0.090  -4.777
  154    HD1  TRP  12           HD       TRP  12 -11.653  -2.438  -5.909
  155    HE1  TRP  12           1HE      TRP  12 -13.684  -2.256  -4.337
  156    HE3  TRP  12           3HE      TRP  12 -10.238   1.679  -3.227
  157    HZ2  TRP  12           2HZ      TRP  12 -14.569  -0.587  -2.238
  158    HZ3  TRP  12           3HZ      TRP  12 -11.733   2.503  -1.456
  159    HH2  TRP  12           HH       TRP  12 -13.853   1.394  -0.973
  160    H    CYS  13           H        CYS  13  -8.621   2.555  -5.862
  161    HA   CYS  13           HA       CYS  13 -10.853   3.933  -4.827
  162   1HB   CYS  13          2HB       CYS  13  -7.997   4.577  -5.337
  163   2HB   CYS  13          1HB       CYS  13  -9.099   5.934  -5.131
  164    HG   CYS  13           HG       CYS  13  -9.714   4.648  -2.768
  165    H    GLN  14           H        GLN  14  -9.052   4.292  -7.866
  166    HA   GLN  14           HA       GLN  14 -10.567   6.476  -8.832
  167   1HB   GLN  14          2HB       GLN  14  -9.566   5.913 -11.029
  168   2HB   GLN  14          1HB       GLN  14  -8.376   6.020  -9.740
  169   1HG   GLN  14          2HG       GLN  14  -8.106   3.687  -9.651
  170   2HG   GLN  14          1HG       GLN  14  -9.558   3.404 -10.612
  171   1HE2  GLN  14          1HE2      GLN  14  -8.550   2.225 -12.191
  172   2HE2  GLN  14          2HE2      GLN  14  -7.423   2.907 -13.309
  173    H    GLU  15           H        GLU  15 -10.915   2.988  -9.112
  174    HA   GLU  15           HA       GLU  15 -12.932   2.996 -11.096
  175   1HB   GLU  15          2HB       GLU  15 -11.445   1.059  -9.964
  176   2HB   GLU  15          1HB       GLU  15 -12.942   0.830  -9.070
  177   1HG   GLU  15          2HG       GLU  15 -13.821   1.043 -11.655
  178   2HG   GLU  15          1HG       GLU  15 -12.289   0.188 -11.835
  179    H    GLN  16           H        GLN  16 -13.064   2.892  -7.554
  180    HA   GLN  16           HA       GLN  16 -15.896   2.775  -7.400
  181   1HB   GLN  16          2HB       GLN  16 -13.659   2.927  -5.555
  182   2HB   GLN  16          1HB       GLN  16 -15.002   3.926  -5.021
  183   1HG   GLN  16          2HG       GLN  16 -15.131   1.700  -4.069
  184   2HG   GLN  16          1HG       GLN  16 -16.495   2.010  -5.142
  185   1HE2  GLN  16          1HE2      GLN  16 -16.782  -0.263  -5.286
  186   2HE2  GLN  16          2HE2      GLN  16 -15.783  -1.215  -6.325
  187    H    THR  17           H        THR  17 -13.585   5.381  -7.631
  188    HA   THR  17           HA       THR  17 -15.647   7.383  -7.117
  189    HB   THR  17           HB       THR  17 -12.739   7.843  -7.784
  190    HG1  THR  17           1HG      THR  17 -12.437   7.959  -5.540
  191   1HG2  THR  17          1HG2      THR  17 -13.716   9.757  -5.990
  192   2HG2  THR  17          2HG2      THR  17 -14.920   9.613  -7.270
  193   3HG2  THR  17          3HG2      THR  17 -13.245   9.987  -7.674
  194    H    ALA  18           H        ALA  18 -15.000   5.580  -9.682
  195    HA   ALA  18           HA       ALA  18 -14.762   7.618 -11.713
  196   1HB   ALA  18          1HB       ALA  18 -14.244   5.941 -13.111
  197   2HB   ALA  18          2HB       ALA  18 -15.587   4.937 -12.566
  198   3HB   ALA  18          3HB       ALA  18 -14.089   4.983 -11.639
  199    H    GLY  19           H        GLY  19 -16.381   8.615 -12.747
  200   1HA   GLY  19          2HA       GLY  19 -18.664   7.981 -13.793
  201   2HA   GLY  19          1HA       GLY  19 -19.122   7.766 -12.110
  202    H    TYR  20           H        TYR  20 -17.345  10.062 -11.334
  203    HA   TYR  20           HA       TYR  20 -19.330  12.124 -11.775
  204   1HB   TYR  20          2HB       TYR  20 -16.768  12.334 -10.192
  205   2HB   TYR  20          1HB       TYR  20 -18.187  13.369 -10.073
  206    HD1  TYR  20           1HD      TYR  20 -19.983  12.807  -8.642
  207    HD2  TYR  20           2HD      TYR  20 -16.934   9.946  -9.419
  208    HE1  TYR  20           1HE      TYR  20 -20.880  11.375  -6.856
  209    HE2  TYR  20           2HE      TYR  20 -17.823   8.504  -7.636
  210    HH   TYR  20           HH       TYR  20 -20.106   8.182  -6.498
  211    HA   PRO  21           HA       PRO  21 -17.017  13.768 -15.254
  212   1HB   PRO  21          2HB       PRO  21 -18.824  16.078 -14.962
  213   2HB   PRO  21          1HB       PRO  21 -18.591  15.002 -16.342
  214   1HG   PRO  21          2HG       PRO  21 -20.819  14.914 -14.852
  215   2HG   PRO  21          1HG       PRO  21 -20.110  13.450 -15.559
  216   1HD   PRO  21          2HD       PRO  21 -19.954  14.464 -12.746
  217   2HD   PRO  21          1HD       PRO  21 -20.173  12.804 -13.337
  218    H    GLY  22           H        GLY  22 -15.035  14.329 -14.411
  219   1HA   GLY  22          2HA       GLY  22 -13.680  16.378 -14.270
  220   2HA   GLY  22          1HA       GLY  22 -14.892  17.003 -13.162
  221    H    VAL  23           H        VAL  23 -13.986  13.677 -12.914
  222    HA   VAL  23           HA       VAL  23 -12.525  14.314 -10.440
  223    HB   VAL  23           HB       VAL  23 -14.602  13.042 -10.084
  224   1HG1  VAL  23          1HG1      VAL  23 -15.196  11.208 -11.227
  225   2HG1  VAL  23          2HG1      VAL  23 -13.563  10.543 -11.200
  226   3HG1  VAL  23          3HG1      VAL  23 -14.001  11.753 -12.405
  227   1HG2  VAL  23          1HG2      VAL  23 -12.175  12.598  -8.948
  228   2HG2  VAL  23          2HG2      VAL  23 -12.615  10.972  -9.469
  229   3HG2  VAL  23          3HG2      VAL  23 -13.686  11.875  -8.397
  230    H    HIS  24           H        HIS  24 -10.433  13.973 -10.484
  231    HA   HIS  24           HA       HIS  24  -9.346  11.937 -12.316
  232   1HB   HIS  24          2HB       HIS  24  -7.980  14.464 -11.364
  233   2HB   HIS  24          1HB       HIS  24  -7.323  13.289 -12.499
  234    HD1  HIS  24           1HD      HIS  24  -8.921  13.018 -14.758
  235    HD2  HIS  24           2HD      HIS  24  -9.184  16.549 -12.586
  236    HE1  HIS  24           1HE      HIS  24  -9.940  14.696 -16.328
  237    HE2  HIS  24           2HE      HIS  24  -9.995  16.852 -15.024
  238    H    VAL  25           H        VAL  25  -9.783  10.497 -10.447
  239    HA   VAL  25           HA       VAL  25  -8.299  10.800  -8.033
  240    HB   VAL  25           HB       VAL  25  -9.482   8.247  -9.124
  241   1HG1  VAL  25          1HG1      VAL  25  -8.381   7.487  -7.308
  242   2HG1  VAL  25          2HG1      VAL  25  -9.784   8.127  -6.455
  243   3HG1  VAL  25          3HG1      VAL  25  -8.304   9.080  -6.554
  244   1HG2  VAL  25          1HG2      VAL  25 -11.529   9.050  -8.810
  245   2HG2  VAL  25          2HG2      VAL  25 -10.834  10.635  -8.475
  246   3HG2  VAL  25          3HG2      VAL  25 -11.130   9.506  -7.154
  247    H    SER  26           H        SER  26  -6.121  11.019  -8.471
  248    HA   SER  26           HA       SER  26  -4.736   8.551  -9.083
  249   1HB   SER  26          2HB       SER  26  -4.897   9.440 -11.308
  250   2HB   SER  26          1HB       SER  26  -4.400  11.042 -10.764
  251    HG   SER  26           HG       SER  26  -2.770   8.729 -10.575
  252    H    ASP  27           H        ASP  27  -5.128  10.617  -6.889
  253    HA   ASP  27           HA       ASP  27  -2.295  10.814  -6.182
  254   1HB   ASP  27          2HB       ASP  27  -4.262  13.087  -5.833
  255   2HB   ASP  27          1HB       ASP  27  -2.570  13.089  -5.346
  256    H    LEU  28           H        LEU  28  -1.851  10.515  -4.026
  257    HA   LEU  28           HA       LEU  28  -4.081   9.543  -2.413
  258   1HB   LEU  28          2HB       LEU  28  -1.187   9.039  -2.543
  259   2HB   LEU  28          1HB       LEU  28  -1.838   9.097  -0.918
  260    HG   LEU  28           HG       LEU  28  -3.243   7.405  -2.926
  261   1HD1  LEU  28          1HD1      LEU  28  -1.071   6.087  -1.440
  262   2HD1  LEU  28          2HD1      LEU  28  -0.570   7.117  -2.780
  263   3HD1  LEU  28          3HD1      LEU  28  -1.688   5.782  -3.063
  264   1HD2  LEU  28          1HD2      LEU  28  -4.365   7.208  -0.970
  265   2HD2  LEU  28          2HD2      LEU  28  -2.955   7.613   0.008
  266   3HD2  LEU  28          3HD2      LEU  28  -3.130   5.990  -0.659
  267    H    SER  29           H        SER  29  -3.898  12.357  -2.805
  268    HA   SER  29           HA       SER  29  -4.035  13.212  -0.086
  269   1HB   SER  29          2HB       SER  29  -1.667  13.404  -0.171
  270   2HB   SER  29          1HB       SER  29  -1.709  14.121  -1.782
  271    HG   SER  29           HG       SER  29  -1.370  15.681  -0.133
  272    H    SER  30           H        SER  30  -3.211  14.854  -3.144
  273    HA   SER  30           HA       SER  30  -4.993  16.985  -2.766
  274   1HB   SER  30          2HB       SER  30  -3.387  15.930  -5.026
  275   2HB   SER  30          1HB       SER  30  -4.732  16.989  -5.446
  276    HG   SER  30           HG       SER  30  -3.844  18.586  -4.159
  277    H    SER  31           H        SER  31  -5.396  13.875  -4.366
  278    HA   SER  31           HA       SER  31  -7.784  14.320  -5.710
  279   1HB   SER  31          2HB       SER  31  -6.843  11.787  -4.346
  280   2HB   SER  31          1HB       SER  31  -8.147  11.875  -5.529
  281    HG   SER  31           HG       SER  31  -6.708  12.367  -7.097
  282    H    TRP  32           H        TRP  32  -7.198  13.933  -2.309
  283    HA   TRP  32           HA       TRP  32 -10.083  13.751  -1.790
  284   1HB   TRP  32          2HB       TRP  32  -7.904  13.451   0.270
  285   2HB   TRP  32          1HB       TRP  32  -9.573  12.898   0.359
  286    HD1  TRP  32           HD       TRP  32  -6.450  12.141  -1.834
  287    HE1  TRP  32           1HE      TRP  32  -6.438   9.618  -2.338
  288    HE3  TRP  32           3HE      TRP  32 -10.801  10.824   0.508
  289    HZ2  TRP  32           2HZ      TRP  32  -8.058   7.366  -1.811
  290    HZ3  TRP  32           3HZ      TRP  32 -11.498   8.465   0.461
  291    HH2  TRP  32           HH       TRP  32 -10.154   6.773  -0.675
  292    H    ALA  33           H        ALA  33  -8.060  16.149  -2.334
  293    HA   ALA  33           HA       ALA  33  -8.034  17.821  -0.122
  294   1HB   ALA  33          1HB       ALA  33  -7.409  19.527  -1.555
  295   2HB   ALA  33          2HB       ALA  33  -8.427  18.936  -2.868
  296   3HB   ALA  33          3HB       ALA  33  -6.938  18.086  -2.456
  297    H    ASP  34           H        ASP  34 -10.380  17.918  -2.815
  298    HA   ASP  34           HA       ASP  34 -12.143  19.637  -1.325
  299   1HB   ASP  34          2HB       ASP  34 -13.675  19.253  -3.326
  300   2HB   ASP  34          1HB       ASP  34 -12.127  20.022  -3.660
  301    H    GLY  35           H        GLY  35 -11.549  16.387  -1.138
  302   1HA   GLY  35          2HA       GLY  35 -12.650  14.774   0.095
  303   2HA   GLY  35          1HA       GLY  35 -13.946  15.927   0.377
  304    H    LEU  36           H        LEU  36 -12.906  15.214  -2.864
  305    HA   LEU  36           HA       LEU  36 -15.537  14.339  -3.577
  306   1HB   LEU  36          2HB       LEU  36 -13.064  15.059  -4.956
  307   2HB   LEU  36          1HB       LEU  36 -13.922  13.740  -5.730
  308    HG   LEU  36           HG       LEU  36 -15.599  16.048  -4.993
  309   1HD1  LEU  36          1HD1      LEU  36 -13.149  16.400  -6.524
  310   2HD1  LEU  36          2HD1      LEU  36 -14.235  17.600  -5.827
  311   3HD1  LEU  36          3HD1      LEU  36 -14.594  16.896  -7.403
  312   1HD2  LEU  36          1HD2      LEU  36 -16.774  15.468  -6.893
  313   2HD2  LEU  36          2HD2      LEU  36 -16.134  13.910  -6.371
  314   3HD2  LEU  36          3HD2      LEU  36 -15.357  14.786  -7.689
  315    H    ALA  37           H        ALA  37 -12.432  12.775  -3.033
  316    HA   ALA  37           HA       ALA  37 -13.096  10.241  -4.068
  317   1HB   ALA  37          1HB       ALA  37 -11.245   9.470  -2.463
  318   2HB   ALA  37          2HB       ALA  37 -11.054  11.181  -2.085
  319   3HB   ALA  37          3HB       ALA  37 -10.818  10.613  -3.737
  320    H    LEU  38           H        LEU  38 -13.275  11.539  -0.763
  321    HA   LEU  38           HA       LEU  38 -14.303   9.158   0.390
  322   1HB   LEU  38          2HB       LEU  38 -13.238  11.363   1.438
  323   2HB   LEU  38          1HB       LEU  38 -14.927  11.807   1.594
  324    HG   LEU  38           HG       LEU  38 -15.204   9.518   2.765
  325   1HD1  LEU  38          1HD1      LEU  38 -13.383   8.375   3.498
  326   2HD1  LEU  38          2HD1      LEU  38 -12.368   9.815   3.569
  327   3HD1  LEU  38          3HD1      LEU  38 -12.700   9.045   2.017
  328   1HD2  LEU  38          1HD2      LEU  38 -13.548  11.252   4.480
  329   2HD2  LEU  38          2HD2      LEU  38 -15.182  10.635   4.724
  330   3HD2  LEU  38          3HD2      LEU  38 -14.913  12.033   3.683
  331    H    CYS  39           H        CYS  39 -15.838  12.157  -0.732
  332    HA   CYS  39           HA       CYS  39 -18.475  11.409  -0.039
  333   1HB   CYS  39          2HB       CYS  39 -17.351  13.434  -1.965
  334   2HB   CYS  39          1HB       CYS  39 -19.083  13.194  -1.782
  335    HG   CYS  39           HG       CYS  39 -18.712  13.881   0.792
  336    H    ALA  40           H        ALA  40 -16.531  10.977  -2.938
  337    HA   ALA  40           HA       ALA  40 -18.534  10.106  -4.686
  338   1HB   ALA  40          1HB       ALA  40 -16.673   8.979  -5.909
  339   2HB   ALA  40          2HB       ALA  40 -15.603   9.415  -4.578
  340   3HB   ALA  40          3HB       ALA  40 -16.375  10.677  -5.540
  341    H    LEU  41           H        LEU  41 -16.486   8.279  -2.436
  342    HA   LEU  41           HA       LEU  41 -17.426   5.718  -3.128
  343   1HB   LEU  41          2HB       LEU  41 -16.275   6.751  -0.536
  344   2HB   LEU  41          1HB       LEU  41 -16.571   5.055  -0.872
  345    HG   LEU  41           HG       LEU  41 -14.821   6.645  -2.709
  346   1HD1  LEU  41          1HD1      LEU  41 -14.195   5.750   0.055
  347   2HD1  LEU  41          2HD1      LEU  41 -13.634   7.167  -0.831
  348   3HD1  LEU  41          3HD1      LEU  41 -12.956   5.578  -1.189
  349   1HD2  LEU  41          1HD2      LEU  41 -14.440   3.804  -1.870
  350   2HD2  LEU  41          2HD2      LEU  41 -14.020   4.595  -3.389
  351   3HD2  LEU  41          3HD2      LEU  41 -15.704   4.211  -3.031
  352    H    VAL  42           H        VAL  42 -18.364   7.868  -0.445
  353    HA   VAL  42           HA       VAL  42 -20.398   6.245   0.592
  354    HB   VAL  42           HB       VAL  42 -20.450   9.259   0.644
  355   1HG1  VAL  42          1HG1      VAL  42 -21.969   9.081   2.289
  356   2HG1  VAL  42          2HG1      VAL  42 -21.169   7.688   3.017
  357   3HG1  VAL  42          3HG1      VAL  42 -22.237   7.469   1.629
  358   1HG2  VAL  42          1HG2      VAL  42 -18.359   7.580   1.564
  359   2HG2  VAL  42          2HG2      VAL  42 -19.219   8.187   2.978
  360   3HG2  VAL  42          3HG2      VAL  42 -18.553   9.316   1.798
  361    H    TYR  43           H        TYR  43 -20.485   8.787  -1.871
  362    HA   TYR  43           HA       TYR  43 -23.259   8.873  -2.246
  363   1HB   TYR  43          2HB       TYR  43 -21.758  10.575  -3.162
  364   2HB   TYR  43          1HB       TYR  43 -21.048   9.385  -4.249
  365    HD1  TYR  43           1HD      TYR  43 -22.132   8.773  -6.288
  366    HD2  TYR  43           2HD      TYR  43 -24.086  11.344  -3.520
  367    HE1  TYR  43           1HE      TYR  43 -23.818   9.316  -7.993
  368    HE2  TYR  43           2HE      TYR  43 -25.778  11.894  -5.215
  369    HH   TYR  43           HH       TYR  43 -26.721  10.908  -7.265
  370    H    ARG  44           H        ARG  44 -20.787   6.773  -3.619
  371    HA   ARG  44           HA       ARG  44 -22.382   5.536  -5.580
  372   1HB   ARG  44          2HB       ARG  44 -19.810   5.432  -5.176
  373   2HB   ARG  44          1HB       ARG  44 -20.199   4.075  -4.129
  374   1HG   ARG  44          2HG       ARG  44 -21.523   3.826  -6.679
  375   2HG   ARG  44          1HG       ARG  44 -19.780   4.017  -6.877
  376   1HD   ARG  44          2HD       ARG  44 -19.397   2.173  -5.324
  377   2HD   ARG  44          1HD       ARG  44 -21.135   1.994  -5.095
  378    HE   ARG  44           HE       ARG  44 -21.248   0.869  -7.086
  379   1HH1  ARG  44          1HH1      ARG  44 -18.181   2.524  -6.896
  380   2HH1  ARG  44          2HH1      ARG  44 -17.543   1.768  -8.317
  381   1HH2  ARG  44          1HH2      ARG  44 -20.410  -0.127  -8.954
  382   2HH2  ARG  44          2HH2      ARG  44 -18.809   0.263  -9.487
  383    H    LEU  45           H        LEU  45 -21.789   4.764  -2.182
  384    HA   LEU  45           HA       LEU  45 -23.372   2.374  -2.230
  385   1HB   LEU  45          2HB       LEU  45 -21.974   3.980  -0.147
  386   2HB   LEU  45          1HB       LEU  45 -23.242   2.886   0.376
  387    HG   LEU  45           HG       LEU  45 -20.958   1.912   0.503
  388   1HD1  LEU  45          1HD1      LEU  45 -21.740  -0.159   0.066
  389   2HD1  LEU  45          2HD1      LEU  45 -22.293   0.271  -1.552
  390   3HD1  LEU  45          3HD1      LEU  45 -23.264   0.703  -0.145
  391   1HD2  LEU  45          1HD2      LEU  45 -21.045   1.859  -2.503
  392   2HD2  LEU  45          2HD2      LEU  45 -19.720   1.380  -1.441
  393   3HD2  LEU  45          3HD2      LEU  45 -20.162   3.081  -1.587
  394    H    GLN  46           H        GLN  46 -23.929   5.751  -1.577
  395    HA   GLN  46           HA       GLN  46 -26.793   5.274  -1.538
  396   1HB   GLN  46          2HB       GLN  46 -25.325   5.733   0.866
  397   2HB   GLN  46          1HB       GLN  46 -26.305   7.158   0.546
  398   1HG   GLN  46          2HG       GLN  46 -28.056   6.110   1.385
  399   2HG   GLN  46          1HG       GLN  46 -27.956   4.934   0.076
  400   1HE2  GLN  46          1HE2      GLN  46 -28.827   4.517   2.794
  401   2HE2  GLN  46          2HE2      GLN  46 -27.777   3.326   3.475
  402    HA   PRO  47           HA       PRO  47 -25.537   9.013  -3.944
  403   1HB   PRO  47          2HB       PRO  47 -27.316   8.611  -5.954
  404   2HB   PRO  47          1HB       PRO  47 -25.722   7.852  -5.914
  405   1HG   PRO  47          2HG       PRO  47 -28.381   6.713  -5.143
  406   2HG   PRO  47          1HG       PRO  47 -27.068   5.962  -6.071
  407   1HD   PRO  47          2HD       PRO  47 -27.474   5.436  -3.450
  408   2HD   PRO  47          1HD       PRO  47 -25.856   5.445  -4.179
  409    H    GLY  48           H        GLY  48 -28.642   7.800  -2.869
  410   1HA   GLY  48          2HA       GLY  48 -30.056  10.254  -3.351
  411   2HA   GLY  48          1HA       GLY  48 -30.643   8.874  -2.436
  412    H    LEU  49           H        LEU  49 -28.386   8.825  -0.609
  413    HA   LEU  49           HA       LEU  49 -29.220  11.064   1.087
  414   1HB   LEU  49          2HB       LEU  49 -28.105   8.347   1.601
  415   2HB   LEU  49          1HB       LEU  49 -27.823   9.605   2.790
  416    HG   LEU  49           HG       LEU  49 -30.590   8.931   1.817
  417   1HD1  LEU  49          1HD1      LEU  49 -30.199   6.903   2.737
  418   2HD1  LEU  49          2HD1      LEU  49 -30.523   7.782   4.231
  419   3HD1  LEU  49          3HD1      LEU  49 -28.859   7.486   3.724
  420   1HD2  LEU  49          1HD2      LEU  49 -30.026   9.925   4.538
  421   2HD2  LEU  49          2HD2      LEU  49 -31.338  10.324   3.429
  422   3HD2  LEU  49          3HD2      LEU  49 -29.750  11.060   3.217
  423    H    LEU  50           H        LEU  50 -27.252  11.315  -1.117
  424    HA   LEU  50           HA       LEU  50 -25.124  12.535   0.474
  425   1HB   LEU  50          2HB       LEU  50 -24.812  10.311  -1.443
  426   2HB   LEU  50          1HB       LEU  50 -23.662  11.623  -1.619
  427    HG   LEU  50           HG       LEU  50 -22.664   9.970  -0.223
  428   1HD1  LEU  50          1HD1      LEU  50 -21.886  11.358   1.376
  429   2HD1  LEU  50          2HD1      LEU  50 -23.499  11.822   1.915
  430   3HD1  LEU  50          3HD1      LEU  50 -22.809  12.555   0.467
  431   1HD2  LEU  50          1HD2      LEU  50 -24.497  10.059   2.025
  432   2HD2  LEU  50          2HD2      LEU  50 -23.769   8.674   1.211
  433   3HD2  LEU  50          3HD2      LEU  50 -25.246   9.393   0.575
  434    H    GLU  51           H        GLU  51 -23.763  14.018  -0.849
  435    HA   GLU  51           HA       GLU  51 -24.883  14.958  -3.343
  436   1HB   GLU  51          2HB       GLU  51 -25.124  16.509  -0.783
  437   2HB   GLU  51          1HB       GLU  51 -24.983  17.350  -2.321
  438   1HG   GLU  51          2HG       GLU  51 -27.121  15.369  -1.568
  439   2HG   GLU  51          1HG       GLU  51 -27.303  17.121  -1.658
  440    HA   PRO  52           HA       PRO  52 -20.222  15.298  -2.616
  441   1HB   PRO  52          2HB       PRO  52 -19.678  14.277  -5.135
  442   2HB   PRO  52          1HB       PRO  52 -19.694  13.336  -3.642
  443   1HG   PRO  52          2HG       PRO  52 -21.821  13.633  -5.719
  444   2HG   PRO  52          1HG       PRO  52 -21.322  12.187  -4.822
  445   1HD   PRO  52          2HD       PRO  52 -23.543  13.527  -4.166
  446   2HD   PRO  52          1HD       PRO  52 -22.501  12.810  -2.919
  447    H    SER  53           H        SER  53 -22.062  15.834  -5.624
  448    HA   SER  53           HA       SER  53 -20.386  17.712  -6.789
  449   1HB   SER  53          2HB       SER  53 -22.427  18.494  -8.008
  450   2HB   SER  53          1HB       SER  53 -22.211  16.744  -8.039
  451    HG   SER  53           HG       SER  53 -23.836  18.053  -6.126
  452    H    GLU  54           H        GLU  54 -22.714  18.096  -4.211
  453    HA   GLU  54           HA       GLU  54 -22.832  20.941  -4.309
  454   1HB   GLU  54          2HB       GLU  54 -24.499  19.342  -3.213
  455   2HB   GLU  54          1HB       GLU  54 -23.366  19.258  -1.870
  456   1HG   GLU  54          2HG       GLU  54 -23.534  21.708  -1.622
  457   2HG   GLU  54          1HG       GLU  54 -24.747  21.725  -2.900
  458    H    LEU  55           H        LEU  55 -21.080  18.672  -2.197
  459    HA   LEU  55           HA       LEU  55 -19.613  20.829  -0.951
  460   1HB   LEU  55          2HB       LEU  55 -19.068  17.891  -0.639
  461   2HB   LEU  55          1HB       LEU  55 -18.692  19.188   0.478
  462    HG   LEU  55           HG       LEU  55 -21.561  18.801  -0.131
  463   1HD1  LEU  55          1HD1      LEU  55 -20.253  16.502   0.227
  464   2HD1  LEU  55          2HD1      LEU  55 -21.872  16.792   0.865
  465   3HD1  LEU  55          3HD1      LEU  55 -20.466  16.968   1.915
  466   1HD2  LEU  55          1HD2      LEU  55 -21.514  19.021   2.455
  467   2HD2  LEU  55          2HD2      LEU  55 -21.177  20.436   1.457
  468   3HD2  LEU  55          3HD2      LEU  55 -19.850  19.547   2.205
  469    H    GLN  56           H        GLN  56 -19.266  19.056  -3.772
  470    HA   GLN  56           HA       GLN  56 -16.526  18.558  -3.900
  471   1HB   GLN  56          2HB       GLN  56 -18.074  17.614  -5.507
  472   2HB   GLN  56          1HB       GLN  56 -18.486  19.218  -6.099
  473   1HG   GLN  56          2HG       GLN  56 -15.666  18.868  -6.289
  474   2HG   GLN  56          1HG       GLN  56 -16.466  17.472  -7.010
  475   1HE2  GLN  56          1HE2      GLN  56 -15.225  20.391  -7.691
  476   2HE2  GLN  56          2HE2      GLN  56 -16.162  20.810  -9.081
  477    H    GLY  57           H        GLY  57 -18.344  21.502  -4.540
  478   1HA   GLY  57          2HA       GLY  57 -15.766  22.861  -5.040
  479   2HA   GLY  57          1HA       GLY  57 -17.275  23.351  -5.793
  480    H    LEU  58           H        LEU  58 -18.700  22.864  -3.177
  481    HA   LEU  58           HA       LEU  58 -18.790  25.461  -2.242
  482   1HB   LEU  58          2HB       LEU  58 -19.794  22.871  -1.395
  483   2HB   LEU  58          1HB       LEU  58 -19.441  23.913  -0.029
  484    HG   LEU  58           HG       LEU  58 -20.822  25.687  -1.247
  485   1HD1  LEU  58          1HD1      LEU  58 -22.373  23.565  -2.542
  486   2HD1  LEU  58          2HD1      LEU  58 -20.812  23.900  -3.292
  487   3HD1  LEU  58          3HD1      LEU  58 -21.993  25.197  -3.094
  488   1HD2  LEU  58          1HD2      LEU  58 -21.920  25.001   0.607
  489   2HD2  LEU  58          2HD2      LEU  58 -21.737  23.291   0.215
  490   3HD2  LEU  58          3HD2      LEU  58 -22.985  24.248  -0.581
  491    H    GLY  59           H        GLY  59 -16.680  22.828  -1.260
  492   1HA   GLY  59          2HA       GLY  59 -14.591  24.369  -0.378
  493   2HA   GLY  59          1HA       GLY  59 -15.629  24.200   1.028
  494    H    ALA  60           H        ALA  60 -12.909  23.217   0.575
  495    HA   ALA  60           HA       ALA  60 -13.085  20.366   0.254
  496   1HB   ALA  60          1HB       ALA  60 -10.643  20.676   1.281
  497   2HB   ALA  60          2HB       ALA  60 -10.931  22.332   0.750
  498   3HB   ALA  60          3HB       ALA  60 -11.014  21.008  -0.410
  499    H    LEU  61           H        LEU  61 -12.245  22.489   2.998
  500    HA   LEU  61           HA       LEU  61 -12.127  20.490   4.943
  501   1HB   LEU  61          2HB       LEU  61 -12.667  23.438   5.055
  502   2HB   LEU  61          1HB       LEU  61 -12.745  22.464   6.510
  503    HG   LEU  61           HG       LEU  61 -10.290  22.245   4.849
  504   1HD1  LEU  61          1HD1      LEU  61  -9.343  24.215   6.060
  505   2HD1  LEU  61          2HD1      LEU  61 -10.986  24.635   6.541
  506   3HD1  LEU  61          3HD1      LEU  61 -10.545  24.614   4.834
  507   1HD2  LEU  61          1HD2      LEU  61 -10.323  20.863   6.743
  508   2HD2  LEU  61          2HD2      LEU  61 -10.996  22.133   7.765
  509   3HD2  LEU  61          3HD2      LEU  61  -9.326  22.240   7.210
  510    H    GLU  62           H        GLU  62 -14.850  22.420   3.788
  511    HA   GLU  62           HA       GLU  62 -16.714  21.440   5.701
  512   1HB   GLU  62          2HB       GLU  62 -16.718  23.479   3.879
  513   2HB   GLU  62          1HB       GLU  62 -17.796  22.323   3.110
  514   1HG   GLU  62          2HG       GLU  62 -19.347  22.430   4.820
  515   2HG   GLU  62          1HG       GLU  62 -18.172  23.044   5.983
  516    H    ALA  63           H        ALA  63 -15.720  20.424   2.491
  517    HA   ALA  63           HA       ALA  63 -17.797  18.551   2.049
  518   1HB   ALA  63          1HB       ALA  63 -16.328  17.647   0.299
  519   2HB   ALA  63          2HB       ALA  63 -15.009  18.649   0.902
  520   3HB   ALA  63          3HB       ALA  63 -16.449  19.405   0.221
  521    H    THR  64           H        THR  64 -14.533  18.249   3.401
  522    HA   THR  64           HA       THR  64 -14.583  15.446   3.731
  523    HB   THR  64           HB       THR  64 -13.029  17.205   5.587
  524    HG1  THR  64           1HG      THR  64 -12.485  16.869   2.824
  525   1HG2  THR  64          1HG2      THR  64 -11.215  15.618   5.011
  526   2HG2  THR  64          2HG2      THR  64 -12.381  14.699   4.060
  527   3HG2  THR  64          3HG2      THR  64 -12.602  14.869   5.801
  528    H    ALA  65           H        ALA  65 -15.204  18.086   6.039
  529    HA   ALA  65           HA       ALA  65 -15.804  16.495   8.255
  530   1HB   ALA  65          1HB       ALA  65 -16.311  19.297   7.467
  531   2HB   ALA  65          2HB       ALA  65 -15.569  18.643   8.927
  532   3HB   ALA  65          3HB       ALA  65 -17.325  18.643   8.754
  533    H    TRP  66           H        TRP  66 -17.916  17.760   5.704
  534    HA   TRP  66           HA       TRP  66 -20.334  16.791   6.808
  535   1HB   TRP  66          2HB       TRP  66 -19.856  18.524   4.872
  536   2HB   TRP  66          1HB       TRP  66 -20.001  17.095   3.853
  537    HD1  TRP  66           HD       TRP  66 -22.074  19.203   6.326
  538    HE1  TRP  66           1HE      TRP  66 -24.567  18.827   5.813
  539    HE3  TRP  66           3HE      TRP  66 -21.632  15.543   2.785
  540    HZ2  TRP  66           2HZ      TRP  66 -26.140  17.193   4.130
  541    HZ3  TRP  66           3HZ      TRP  66 -23.678  14.626   1.772
  542    HH2  TRP  66           HH       TRP  66 -25.885  15.436   2.433
  543    H    ALA  67           H        ALA  67 -18.111  15.468   4.379
  544    HA   ALA  67           HA       ALA  67 -19.622  13.176   3.759
  545   1HB   ALA  67          1HB       ALA  67 -16.673  12.983   3.623
  546   2HB   ALA  67          2HB       ALA  67 -17.434  14.272   2.690
  547   3HB   ALA  67          3HB       ALA  67 -17.895  12.592   2.413
  548    H    LEU  68           H        LEU  68 -17.143  13.779   6.203
  549    HA   LEU  68           HA       LEU  68 -16.843  11.118   7.071
  550   1HB   LEU  68          2HB       LEU  68 -16.411  13.737   8.501
  551   2HB   LEU  68          1HB       LEU  68 -15.975  12.179   9.181
  552    HG   LEU  68           HG       LEU  68 -14.889  12.964   6.508
  553   1HD1  LEU  68          1HD1      LEU  68 -14.235  14.191   9.114
  554   2HD1  LEU  68          2HD1      LEU  68 -14.089  14.842   7.482
  555   3HD1  LEU  68          3HD1      LEU  68 -12.876  13.718   8.094
  556   1HD2  LEU  68          1HD2      LEU  68 -13.853  11.295   8.795
  557   2HD2  LEU  68          2HD2      LEU  68 -13.005  11.581   7.275
  558   3HD2  LEU  68          3HD2      LEU  68 -14.531  10.694   7.282
  559    H    LYS  69           H        LYS  69 -18.965  13.729   8.197
  560    HA   LYS  69           HA       LYS  69 -20.096  12.253  10.337
  561   1HB   LYS  69          2HB       LYS  69 -20.737  14.796   8.924
  562   2HB   LYS  69          1HB       LYS  69 -21.997  14.063   9.909
  563   1HG   LYS  69          2HG       LYS  69 -20.367  14.030  11.808
  564   2HG   LYS  69          1HG       LYS  69 -19.277  14.983  10.799
  565   1HD   LYS  69          2HD       LYS  69 -21.365  16.538  10.536
  566   2HD   LYS  69          1HD       LYS  69 -21.893  15.745  12.022
  567   1HE   LYS  69          2HE       LYS  69 -20.709  17.366  13.033
  568   2HE   LYS  69          1HE       LYS  69 -19.324  16.348  12.642
  569   1HZ   LYS  69          1HZ       LYS  69 -18.592  18.237  11.696
  570   2HZ   LYS  69          2HZ       LYS  69 -20.139  18.888  11.495
  571   3HZ   LYS  69          3HZ       LYS  69 -19.555  17.744  10.394
  572    H    VAL  70           H        VAL  70 -21.262  12.962   7.049
  573    HA   VAL  70           HA       VAL  70 -23.670  11.486   7.319
  574    HB   VAL  70           HB       VAL  70 -23.819  11.625   4.859
  575   1HG1  VAL  70          1HG1      VAL  70 -24.697  13.484   6.009
  576   2HG1  VAL  70          2HG1      VAL  70 -23.691  14.159   4.725
  577   3HG1  VAL  70          3HG1      VAL  70 -23.092  14.110   6.384
  578   1HG2  VAL  70          1HG2      VAL  70 -21.770  11.452   3.889
  579   2HG2  VAL  70          2HG2      VAL  70 -20.968  12.376   5.159
  580   3HG2  VAL  70          3HG2      VAL  70 -21.900  13.210   3.915
  581    H    ALA  71           H        ALA  71 -20.465  10.676   6.050
  582    HA   ALA  71           HA       ALA  71 -21.044   8.190   4.941
  583   1HB   ALA  71          1HB       ALA  71 -18.897   9.277   4.619
  584   2HB   ALA  71          2HB       ALA  71 -18.666   7.663   5.290
  585   3HB   ALA  71          3HB       ALA  71 -18.516   9.079   6.330
  586    H    GLU  72           H        GLU  72 -20.127   9.038   8.255
  587    HA   GLU  72           HA       GLU  72 -20.224   6.373   9.242
  588   1HB   GLU  72          2HB       GLU  72 -18.949   8.197  10.338
  589   2HB   GLU  72          1HB       GLU  72 -20.466   8.978  10.761
  590   1HG   GLU  72          2HG       GLU  72 -20.134   6.170  11.614
  591   2HG   GLU  72          1HG       GLU  72 -19.133   7.375  12.421
  592    H    ASN  73           H        ASN  73 -22.536   9.022   9.049
  593    HA   ASN  73           HA       ASN  73 -24.532   7.802  10.654
  594   1HB   ASN  73          2HB       ASN  73 -24.317  10.174   8.924
  595   2HB   ASN  73          1HB       ASN  73 -25.937   9.496   9.045
  596   1HD2  ASN  73          1HD2      ASN  73 -26.186   8.674  11.541
  597   2HD2  ASN  73          2HD2      ASN  73 -25.970   9.969  12.664
  598    H    GLU  74           H        GLU  74 -23.932   7.873   7.173
  599    HA   GLU  74           HA       GLU  74 -26.301   6.356   6.569
  600   1HB   GLU  74          2HB       GLU  74 -24.197   7.738   5.065
  601   2HB   GLU  74          1HB       GLU  74 -24.773   6.264   4.296
  602   1HG   GLU  74          2HG       GLU  74 -26.180   7.830   3.401
  603   2HG   GLU  74          1HG       GLU  74 -27.126   7.254   4.772
  604    H    LEU  75           H        LEU  75 -22.815   5.680   6.675
  605    HA   LEU  75           HA       LEU  75 -23.386   2.862   6.108
  606   1HB   LEU  75          2HB       LEU  75 -21.576   4.343   4.929
  607   2HB   LEU  75          1HB       LEU  75 -20.620   3.955   6.347
  608    HG   LEU  75           HG       LEU  75 -21.888   1.657   4.990
  609   1HD1  LEU  75          1HD1      LEU  75 -19.734   1.749   3.456
  610   2HD1  LEU  75          2HD1      LEU  75 -19.978   3.486   3.642
  611   3HD1  LEU  75          3HD1      LEU  75 -21.260   2.482   2.963
  612   1HD2  LEU  75          1HD2      LEU  75 -19.002   1.809   5.613
  613   2HD2  LEU  75          2HD2      LEU  75 -20.159   0.507   5.890
  614   3HD2  LEU  75          3HD2      LEU  75 -20.117   1.895   6.978
  615    H    GLY  76           H        GLY  76 -21.740   4.896   8.515
  616   1HA   GLY  76          2HA       GLY  76 -21.758   4.385  10.843
  617   2HA   GLY  76          1HA       GLY  76 -22.073   2.706  10.440
  618    H    ILE  77           H        ILE  77 -19.602   4.534   8.808
  619    HA   ILE  77           HA       ILE  77 -17.590   2.717   9.885
  620    HB   ILE  77           HB       ILE  77 -17.716   3.060   7.440
  621   1HG1  ILE  77          2HG1      ILE  77 -15.117   4.147   7.617
  622   2HG1  ILE  77          1HG1      ILE  77 -15.380   3.258   9.113
  623   1HG2  ILE  77          1HG2      ILE  77 -16.698   5.844   7.960
  624   2HG2  ILE  77          2HG2      ILE  77 -18.379   5.469   7.587
  625   3HG2  ILE  77          3HG2      ILE  77 -17.116   5.121   6.407
  626   1HD1  ILE  77          1HD1      ILE  77 -15.013   1.349   8.064
  627   2HD1  ILE  77          2HD1      ILE  77 -14.679   2.250   6.585
  628   3HD1  ILE  77          3HD1      ILE  77 -16.317   1.690   6.926
  629    H    THR  78           H        THR  78 -16.291   3.291  11.490
  630    HA   THR  78           HA       THR  78 -16.320   5.939  12.559
  631    HB   THR  78           HB       THR  78 -14.517   3.616  13.256
  632    HG1  THR  78           1HG      THR  78 -16.866   3.317  13.466
  633   1HG2  THR  78          1HG2      THR  78 -13.960   6.007  14.090
  634   2HG2  THR  78          2HG2      THR  78 -13.949   4.655  15.221
  635   3HG2  THR  78          3HG2      THR  78 -15.330   5.749  15.168
  636    HA   PRO  79           HA       PRO  79 -13.045   7.360   9.811
  637   1HB   PRO  79          2HB       PRO  79 -12.967   9.909  10.760
  638   2HB   PRO  79          1HB       PRO  79 -14.189   9.340   9.615
  639   1HG   PRO  79          2HG       PRO  79 -14.384   9.678  12.583
  640   2HG   PRO  79          1HG       PRO  79 -15.564  10.102  11.328
  641   1HD   PRO  79          2HD       PRO  79 -15.783   7.859  12.819
  642   2HD   PRO  79          1HD       PRO  79 -16.321   7.932  11.129
  643    H    VAL  80           H        VAL  80 -10.986   6.864  10.193
  644    HA   VAL  80           HA       VAL  80  -9.889   7.288  12.883
  645    HB   VAL  80           HB       VAL  80  -8.634   5.680  10.663
  646   1HG1  VAL  80          1HG1      VAL  80  -8.017   6.229  13.495
  647   2HG1  VAL  80          2HG1      VAL  80  -6.940   5.871  12.145
  648   3HG1  VAL  80          3HG1      VAL  80  -7.800   4.563  12.958
  649   1HG2  VAL  80          1HG2      VAL  80 -10.588   4.490  10.943
  650   2HG2  VAL  80          2HG2      VAL  80 -10.739   4.933  12.644
  651   3HG2  VAL  80          3HG2      VAL  80  -9.544   3.735  12.148
  652    H    VAL  81           H        VAL  81 -10.183   9.288  10.574
  653    HA   VAL  81           HA       VAL  81  -7.532  10.432  10.896
  654    HB   VAL  81           HB       VAL  81  -7.318   9.111   8.837
  655   1HG1  VAL  81          1HG1      VAL  81  -8.623   9.934   6.821
  656   2HG1  VAL  81          2HG1      VAL  81  -9.701  10.727   7.971
  657   3HG1  VAL  81          3HG1      VAL  81  -9.515   8.973   8.001
  658   1HG2  VAL  81          1HG2      VAL  81  -6.004  11.110   8.984
  659   2HG2  VAL  81          2HG2      VAL  81  -7.365  12.100   8.460
  660   3HG2  VAL  81          3HG2      VAL  81  -6.612  10.971   7.335
  661    H    SER  82           H        SER  82  -7.468  12.676  10.608
  662    HA   SER  82           HA       SER  82 -10.027  13.983  10.907
  663   1HB   SER  82          2HB       SER  82  -7.271  15.230  10.817
  664   2HB   SER  82          1HB       SER  82  -8.748  15.971  11.433
  665    HG   SER  82           HG       SER  82  -7.024  14.635  12.817
  666    H    ALA  83           H        ALA  83 -10.594  15.915   9.661
  667    HA   ALA  83           HA       ALA  83 -10.548  15.416   6.884
  668   1HB   ALA  83          1HB       ALA  83 -11.363  17.962   6.951
  669   2HB   ALA  83          2HB       ALA  83 -11.601  17.545   8.647
  670   3HB   ALA  83          3HB       ALA  83 -12.408  16.611   7.387
  671    H    GLN  84           H        GLN  84  -8.798  17.739   8.911
  672    HA   GLN  84           HA       GLN  84  -7.492  19.097   6.823
  673   1HB   GLN  84          2HB       GLN  84  -7.690  19.538   9.452
  674   2HB   GLN  84          1HB       GLN  84  -6.103  18.782   9.432
  675   1HG   GLN  84          2HG       GLN  84  -5.472  20.465   7.652
  676   2HG   GLN  84          1HG       GLN  84  -6.975  21.298   8.049
  677   1HE2  GLN  84          1HE2      GLN  84  -6.796  22.858   9.478
  678   2HE2  GLN  84          2HE2      GLN  84  -5.582  22.994  10.699
  679    H    ALA  85           H        ALA  85  -6.730  16.142   8.553
  680    HA   ALA  85           HA       ALA  85  -4.056  15.892   7.644
  681   1HB   ALA  85          1HB       ALA  85  -6.034  13.937   8.776
  682   2HB   ALA  85          2HB       ALA  85  -4.612  14.640   9.547
  683   3HB   ALA  85          3HB       ALA  85  -4.418  13.446   8.264
  684    H    VAL  86           H        VAL  86  -7.125  14.521   6.483
  685    HA   VAL  86           HA       VAL  86  -5.940  13.086   4.333
  686    HB   VAL  86           HB       VAL  86  -8.113  12.432   5.239
  687   1HG1  VAL  86          1HG1      VAL  86  -9.135  15.004   4.043
  688   2HG1  VAL  86          2HG1      VAL  86  -8.985  14.647   5.763
  689   3HG1  VAL  86          3HG1      VAL  86 -10.122  13.738   4.770
  690   1HG2  VAL  86          1HG2      VAL  86  -9.347  12.229   3.060
  691   2HG2  VAL  86          2HG2      VAL  86  -7.670  11.685   3.023
  692   3HG2  VAL  86          3HG2      VAL  86  -8.105  13.252   2.341
  693    H    VAL  87           H        VAL  87  -7.517  16.249   4.587
  694    HA   VAL  87           HA       VAL  87  -7.461  16.832   1.814
  695    HB   VAL  87           HB       VAL  87  -7.513  18.773   4.132
  696   1HG1  VAL  87          1HG1      VAL  87  -8.418  20.371   2.581
  697   2HG1  VAL  87          2HG1      VAL  87  -8.430  19.173   1.287
  698   3HG1  VAL  87          3HG1      VAL  87  -6.897  19.754   1.935
  699   1HG2  VAL  87          1HG2      VAL  87  -9.654  18.265   4.479
  700   2HG2  VAL  87          2HG2      VAL  87  -9.407  16.853   3.453
  701   3HG2  VAL  87          3HG2      VAL  87 -10.024  18.351   2.757
  702    H    ALA  88           H        ALA  88  -5.194  17.375   4.451
  703    HA   ALA  88           HA       ALA  88  -3.384  18.863   2.728
  704   1HB   ALA  88          1HB       ALA  88  -2.765  17.998   5.531
  705   2HB   ALA  88          2HB       ALA  88  -3.842  19.357   5.207
  706   3HB   ALA  88          3HB       ALA  88  -2.172  19.402   4.644
  707    H    GLY  89           H        GLY  89  -3.953  15.617   3.550
  708   1HA   GLY  89          2HA       GLY  89  -2.803  13.680   3.123
  709   2HA   GLY  89          1HA       GLY  89  -1.927  14.608   1.916
  710    H    SER  90           H        SER  90  -1.862  15.478   5.293
  711    HA   SER  90           HA       SER  90   1.003  15.226   5.339
  712   1HB   SER  90          2HB       SER  90  -0.436  17.036   6.492
  713   2HB   SER  90          1HB       SER  90  -0.709  15.824   7.743
  714    HG   SER  90           HG       SER  90   1.512  15.741   8.093
  715    H    ASP  91           H        ASP  91  -1.738  13.447   6.595
  716    HA   ASP  91           HA       ASP  91   0.097  11.564   7.916
  717   1HB   ASP  91          2HB       ASP  91  -2.688  12.437   8.461
  718   2HB   ASP  91          1HB       ASP  91  -2.313  10.747   8.782
  719    HA   PRO  92           HA       PRO  92  -1.225   9.423   4.000
  720   1HB   PRO  92          2HB       PRO  92   1.130   8.019   3.812
  721   2HB   PRO  92          1HB       PRO  92   0.852   9.598   3.067
  722   1HG   PRO  92          2HG       PRO  92   2.239   8.930   5.632
  723   2HG   PRO  92          1HG       PRO  92   2.691  10.109   4.387
  724   1HD   PRO  92          2HD       PRO  92   1.508  10.861   6.677
  725   2HD   PRO  92          1HD       PRO  92   1.160  11.677   5.138
  726    H    LEU  93           H        LEU  93   0.568   8.097   6.773
  727    HA   LEU  93           HA       LEU  93  -0.191   5.426   6.473
  728   1HB   LEU  93          2HB       LEU  93   0.402   6.954   9.009
  729   2HB   LEU  93          1HB       LEU  93   0.327   5.207   8.883
  730    HG   LEU  93           HG       LEU  93   2.336   7.006   7.528
  731   1HD1  LEU  93          1HD1      LEU  93   3.828   5.412   9.000
  732   2HD1  LEU  93          2HD1      LEU  93   2.360   5.317   9.973
  733   3HD1  LEU  93          3HD1      LEU  93   3.118   6.881   9.670
  734   1HD2  LEU  93          1HD2      LEU  93   1.718   4.098   7.250
  735   2HD2  LEU  93          2HD2      LEU  93   3.379   4.664   7.076
  736   3HD2  LEU  93          3HD2      LEU  93   2.119   5.284   6.009
  737    H    GLY  94           H        GLY  94  -1.782   8.098   8.160
  738   1HA   GLY  94          2HA       GLY  94  -3.843   6.557   9.336
  739   2HA   GLY  94          1HA       GLY  94  -3.885   8.293   9.062
  740    H    LEU  95           H        LEU  95  -3.577   8.197   6.225
  741    HA   LEU  95           HA       LEU  95  -6.257   7.980   5.437
  742   1HB   LEU  95          2HB       LEU  95  -3.857   8.890   4.308
  743   2HB   LEU  95          1HB       LEU  95  -4.451   7.664   3.204
  744    HG   LEU  95           HG       LEU  95  -6.350   9.765   4.141
  745   1HD1  LEU  95          1HD1      LEU  95  -5.635  11.330   2.497
  746   2HD1  LEU  95          2HD1      LEU  95  -4.417  10.215   1.877
  747   3HD1  LEU  95          3HD1      LEU  95  -4.231  10.920   3.483
  748   1HD2  LEU  95          1HD2      LEU  95  -7.122   7.892   2.762
  749   2HD2  LEU  95          2HD2      LEU  95  -5.961   8.336   1.513
  750   3HD2  LEU  95          3HD2      LEU  95  -7.281   9.432   1.919
  751    H    ILE  96           H        ILE  96  -3.531   5.755   5.031
  752    HA   ILE  96           HA       ILE  96  -4.899   3.847   3.462
  753    HB   ILE  96           HB       ILE  96  -2.597   3.320   5.346
  754   1HG1  ILE  96          2HG1      ILE  96  -2.046   5.167   3.847
  755   2HG1  ILE  96          1HG1      ILE  96  -1.148   3.724   3.390
  756   1HG2  ILE  96          1HG2      ILE  96  -2.390   1.284   4.417
  757   2HG2  ILE  96          2HG2      ILE  96  -2.826   1.860   2.808
  758   3HG2  ILE  96          3HG2      ILE  96  -4.086   1.508   3.989
  759   1HD1  ILE  96          1HD1      ILE  96  -3.377   3.508   1.841
  760   2HD1  ILE  96          2HD1      ILE  96  -1.839   4.202   1.327
  761   3HD1  ILE  96          3HD1      ILE  96  -3.134   5.254   1.900
  762    H    ALA  97           H        ALA  97  -4.448   4.189   6.954
  763    HA   ALA  97           HA       ALA  97  -5.560   1.752   7.755
  764   1HB   ALA  97          1HB       ALA  97  -6.061   3.000   9.908
  765   2HB   ALA  97          2HB       ALA  97  -5.375   4.422   9.124
  766   3HB   ALA  97          3HB       ALA  97  -4.380   2.988   9.376
  767    H    TYR  98           H        TYR  98  -7.087   4.904   7.197
  768    HA   TYR  98           HA       TYR  98  -9.696   4.072   7.945
  769   1HB   TYR  98          2HB       TYR  98  -8.953   6.445   7.896
  770   2HB   TYR  98          1HB       TYR  98  -8.904   6.365   6.137
  771    HD1  TYR  98           1HD      TYR  98 -10.556   7.921   5.533
  772    HD2  TYR  98           2HD      TYR  98 -11.472   4.902   8.387
  773    HE1  TYR  98           1HE      TYR  98 -12.929   8.558   5.437
  774    HE2  TYR  98           2HE      TYR  98 -13.847   5.529   8.298
  775    HH   TYR  98           HH       TYR  98 -15.396   6.652   6.671
  776    H    LEU  99           H        LEU  99  -7.959   4.215   4.881
  777    HA   LEU  99           HA       LEU  99 -10.085   3.702   3.146
  778   1HB   LEU  99          2HB       LEU  99  -7.392   4.096   2.875
  779   2HB   LEU  99          1HB       LEU  99  -7.547   2.405   2.434
  780    HG   LEU  99           HG       LEU  99  -7.658   3.723   0.437
  781   1HD1  LEU  99          1HD1      LEU  99 -10.369   2.697   1.254
  782   2HD1  LEU  99          2HD1      LEU  99  -9.093   1.801   0.429
  783   3HD1  LEU  99          3HD1      LEU  99  -9.916   3.126  -0.396
  784   1HD2  LEU  99          1HD2      LEU  99 -10.146   5.133   1.107
  785   2HD2  LEU  99          2HD2      LEU  99  -8.733   5.684   0.209
  786   3HD2  LEU  99          3HD2      LEU  99  -8.714   5.691   1.973
  787    H    SER 100           H        SER 100  -8.071   1.504   5.027
  788    HA   SER 100           HA       SER 100  -8.916  -0.910   3.888
  789   1HB   SER 100          2HB       SER 100  -6.993  -0.517   5.531
  790   2HB   SER 100          1HB       SER 100  -8.212  -0.580   6.803
  791    HG   SER 100           HG       SER 100  -7.599  -2.641   6.634
  792    H    HIS 101           H        HIS 101 -10.251   0.998   6.549
  793    HA   HIS 101           HA       HIS 101 -12.243  -0.847   7.317
  794   1HB   HIS 101          2HB       HIS 101 -11.338   1.566   8.274
  795   2HB   HIS 101          1HB       HIS 101 -12.939   1.982   7.675
  796    HD1  HIS 101           1HD      HIS 101 -12.196  -1.363   9.219
  797    HD2  HIS 101           2HD      HIS 101 -14.076   2.210  10.194
  798    HE1  HIS 101           1HE      HIS 101 -13.424  -1.814  11.365
  799    HE2  HIS 101           2HE      HIS 101 -14.479   0.388  11.983
  800    H    PHE 102           H        PHE 102 -12.246   1.844   5.022
  801    HA   PHE 102           HA       PHE 102 -15.005   1.688   4.387
  802   1HB   PHE 102          2HB       PHE 102 -12.708   3.226   3.537
  803   2HB   PHE 102          1HB       PHE 102 -13.669   2.734   2.146
  804    HD1  PHE 102           1HD      PHE 102 -13.153   5.393   4.117
  805    HD2  PHE 102           2HD      PHE 102 -16.375   2.877   2.932
  806    HE1  PHE 102           1HE      PHE 102 -14.741   7.215   4.578
  807    HE2  PHE 102           2HE      PHE 102 -17.969   4.696   3.390
  808    HZ   PHE 102           HZ       PHE 102 -17.152   6.869   4.214
  809    H    HIS 103           H        HIS 103 -12.094   0.324   2.903
  810    HA   HIS 103           HA       HIS 103 -13.343  -0.839   0.670
  811   1HB   HIS 103          2HB       HIS 103 -10.857  -0.501   1.038
  812   2HB   HIS 103          1HB       HIS 103 -10.899  -1.929   2.068
  813    HD1  HIS 103           1HD      HIS 103  -9.256  -3.070   0.359
  814    HD2  HIS 103           2HD      HIS 103 -13.013  -2.149  -1.157
  815    HE1  HIS 103           1HE      HIS 103  -9.450  -4.364  -1.787
  816    HE2  HIS 103           2HE      HIS 103 -11.693  -3.716  -2.735
  817    H    SER 104           H        SER 104 -12.656  -2.111   3.904
  818    HA   SER 104           HA       SER 104 -13.474  -4.748   3.487
  819   1HB   SER 104          2HB       SER 104 -13.464  -3.012   5.957
  820   2HB   SER 104          1HB       SER 104 -13.940  -4.709   5.999
  821    HG   SER 104           HG       SER 104 -11.455  -3.754   5.014
  822    H    ALA 105           H        ALA 105 -15.324  -1.843   4.120
  823    HA   ALA 105           HA       ALA 105 -17.794  -3.266   4.561
  824   1HB   ALA 105          1HB       ALA 105 -17.963  -1.327   5.713
  825   2HB   ALA 105          2HB       ALA 105 -18.603  -0.736   4.179
  826   3HB   ALA 105          3HB       ALA 105 -16.916  -0.449   4.597
  827    H    PHE 106           H        PHE 106 -16.373  -1.316   1.962
  828    HA   PHE 106           HA       PHE 106 -18.598  -1.469   0.224
  829   1HB   PHE 106          2HB       PHE 106 -15.703  -0.772  -0.112
  830   2HB   PHE 106          1HB       PHE 106 -16.725  -0.966  -1.532
  831    HD1  PHE 106           1HD      PHE 106 -17.665   0.466   1.760
  832    HD2  PHE 106           2HD      PHE 106 -16.858   1.208  -2.349
  833    HE1  PHE 106           1HE      PHE 106 -18.469   2.776   2.026
  834    HE2  PHE 106           2HE      PHE 106 -17.659   3.520  -2.094
  835    HZ   PHE 106           HZ       PHE 106 -18.466   4.307   0.096
  836    H    LYS 107           H        LYS 107 -15.832  -3.546   0.777
  837    HA   LYS 107           HA       LYS 107 -16.213  -5.150  -1.557
  838   1HB   LYS 107          2HB       LYS 107 -14.104  -4.834  -0.014
  839   2HB   LYS 107          1HB       LYS 107 -14.809  -6.175   0.879
  840   1HG   LYS 107          2HG       LYS 107 -13.352  -7.216  -0.585
  841   2HG   LYS 107          1HG       LYS 107 -14.909  -7.360  -1.403
  842   1HD   LYS 107          2HD       LYS 107 -14.343  -5.338  -2.726
  843   2HD   LYS 107          1HD       LYS 107 -12.748  -5.332  -1.971
  844   1HE   LYS 107          2HE       LYS 107 -12.021  -7.103  -3.184
  845   2HE   LYS 107          1HE       LYS 107 -13.606  -7.871  -3.212
  846   1HZ   LYS 107          1HZ       LYS 107 -13.534  -7.225  -5.353
  847   2HZ   LYS 107          2HZ       LYS 107 -12.434  -5.971  -5.071
  848   3HZ   LYS 107          3HZ       LYS 107 -14.075  -5.747  -4.729
  849    H    SER 108           H        SER 108 -17.392  -5.222   1.731
  850    HA   SER 108           HA       SER 108 -18.558  -7.866   1.390
  851   1HB   SER 108          2HB       SER 108 -18.230  -5.972   3.683
  852   2HB   SER 108          1HB       SER 108 -19.495  -7.197   3.769
  853    HG   SER 108           HG       SER 108 -16.815  -7.828   3.123
  854    H    MET 109           H        MET 109 -19.519  -4.500   1.472
  855    HA   MET 109           HA       MET 109 -22.279  -5.327   0.855
  856   1HB   MET 109          2HB       MET 109 -21.276  -2.952   2.417
  857   2HB   MET 109          1HB       MET 109 -22.911  -3.039   1.777
  858   1HG   MET 109          2HG       MET 109 -23.058  -5.272   3.046
  859   2HG   MET 109          1HG       MET 109 -21.637  -4.696   3.915
  860   1HE   MET 109          1HE       MET 109 -23.146  -1.176   5.113
  861   2HE   MET 109          2HE       MET 109 -22.072  -1.689   3.812
  862   3HE   MET 109          3HE       MET 109 -21.779  -2.234   5.463
  Start of MODEL   16
    1   1H    MET  -8          1HT       MET  -8  28.095   1.301   0.854
    2   2H    MET  -8          2HT       MET  -8  26.747   0.242   0.786
    3   3H    MET  -8          3HT       MET  -8  26.991   1.400  -0.454
    4    HA   MET  -8           HA       MET  -8  28.880   0.320  -1.234
    5   1HB   MET  -8          2HB       MET  -8  29.634  -0.254   1.115
    6   2HB   MET  -8          1HB       MET  -8  28.550  -1.637   1.046
    7   1HG   MET  -8          2HG       MET  -8  29.889  -2.797  -0.352
    8   2HG   MET  -8          1HG       MET  -8  30.462  -1.352  -1.183
    9   1HE   MET  -8          1HE       MET  -8  32.441   0.348   1.394
   10   2HE   MET  -8          2HE       MET  -8  31.768   0.328  -0.237
   11   3HE   MET  -8          3HE       MET  -8  33.408  -0.256   0.048
   12    H    GLY  -7           H        GLY  -7  28.130  -0.582  -3.033
   13   1HA   GLY  -7          2HA       GLY  -7  27.089  -2.087  -4.430
   14   2HA   GLY  -7          1HA       GLY  -7  26.767  -3.087  -3.022
   15    H    HIS  -6           H        HIS  -6  24.835  -3.137  -4.782
   16    HA   HIS  -6           HA       HIS  -6  22.652  -1.838  -3.426
   17   1HB   HIS  -6          2HB       HIS  -6  23.507  -0.146  -5.115
   18   2HB   HIS  -6          1HB       HIS  -6  22.989  -1.266  -6.371
   19    HD1  HIS  -6           1HD      HIS  -6  21.858   1.704  -5.210
   20    HD2  HIS  -6           2HD      HIS  -6  20.030  -2.026  -5.346
   21    HE1  HIS  -6           1HE      HIS  -6  19.387   2.162  -5.131
   22    HE2  HIS  -6           2HE      HIS  -6  18.304  -0.112  -5.126
   23    H    HIS  -5           H        HIS  -5  22.353  -4.162  -3.082
   24    HA   HIS  -5           HA       HIS  -5  20.509  -5.236  -5.012
   25   1HB   HIS  -5          2HB       HIS  -5  22.885  -5.928  -5.746
   26   2HB   HIS  -5          1HB       HIS  -5  22.863  -6.987  -4.341
   27    HD1  HIS  -5           1HD      HIS  -5  22.114  -7.004  -7.825
   28    HD2  HIS  -5           2HD      HIS  -5  20.428  -8.767  -4.460
   29    HE1  HIS  -5           1HE      HIS  -5  20.726  -8.914  -8.691
   30    HE2  HIS  -5           2HE      HIS  -5  19.646  -9.911  -6.644
   31    H    HIS  -4           H        HIS  -4  19.239  -4.839  -3.063
   32    HA   HIS  -4           HA       HIS  -4  19.734  -6.408  -0.712
   33   1HB   HIS  -4          2HB       HIS  -4  18.149  -4.178  -1.358
   34   2HB   HIS  -4          1HB       HIS  -4  17.014  -5.446  -0.906
   35    HD1  HIS  -4           1HD      HIS  -4  19.354  -3.007   0.499
   36    HD2  HIS  -4           2HD      HIS  -4  17.453  -6.476   1.772
   37    HE1  HIS  -4           1HE      HIS  -4  19.553  -3.001   3.005
   38    HE2  HIS  -4           2HE      HIS  -4  18.479  -5.156   3.745
   39    H    HIS  -3           H        HIS  -3  17.622  -7.621   0.141
   40    HA   HIS  -3           HA       HIS  -3  17.368  -9.921  -1.515
   41   1HB   HIS  -3          2HB       HIS  -3  17.308  -9.844   1.032
   42   2HB   HIS  -3          1HB       HIS  -3  15.650  -9.271   0.880
   43    HD1  HIS  -3           1HD      HIS  -3  16.269 -11.938   2.277
   44    HD2  HIS  -3           2HD      HIS  -3  15.297 -11.585  -1.748
   45    HE1  HIS  -3           1HE      HIS  -3  15.373 -14.190   1.600
   46    HE2  HIS  -3           2HE      HIS  -3  14.876 -13.976  -0.860
   47    H    HIS  -2           H        HIS  -2  14.880  -7.670  -0.293
   48    HA   HIS  -2           HA       HIS  -2  13.286  -8.294  -2.692
   49   1HB   HIS  -2          2HB       HIS  -2  11.325  -7.530  -1.254
   50   2HB   HIS  -2          1HB       HIS  -2  12.063  -9.069  -0.819
   51    HD1  HIS  -2           1HD      HIS  -2  11.195  -5.787   0.533
   52    HD2  HIS  -2           2HD      HIS  -2  13.789  -8.881   1.518
   53    HE1  HIS  -2           1HE      HIS  -2  11.855  -5.375   2.924
   54    HE2  HIS  -2           2HE      HIS  -2  13.488  -7.214   3.473
   55    H    HIS  -1           H        HIS  -1  12.843  -6.682  -4.048
   56    HA   HIS  -1           HA       HIS  -1  13.467  -3.940  -3.182
   57   1HB   HIS  -1          2HB       HIS  -1  13.309  -4.984  -6.014
   58   2HB   HIS  -1          1HB       HIS  -1  13.909  -3.411  -5.496
   59    HD1  HIS  -1           1HD      HIS  -1  15.790  -5.013  -7.153
   60    HD2  HIS  -1           2HD      HIS  -1  15.596  -5.416  -3.022
   61    HE1  HIS  -1           1HE      HIS  -1  18.008  -5.978  -6.467
   62    HE2  HIS  -1           2HE      HIS  -1  17.833  -6.299  -3.974
   63    H    MET   0           H        MET   0  11.217  -5.755  -5.263
   64    HA   MET   0           HA       MET   0   9.334  -3.538  -5.208
   65   1HB   MET   0          2HB       MET   0   9.909  -5.080  -7.238
   66   2HB   MET   0          1HB       MET   0   8.773  -6.191  -6.485
   67   1HG   MET   0          2HG       MET   0   6.974  -4.907  -6.971
   68   2HG   MET   0          1HG       MET   0   7.876  -3.398  -6.845
   69   1HE   MET   0          1HE       MET   0   6.451  -2.559  -8.998
   70   2HE   MET   0          2HE       MET   0   7.508  -2.473 -10.407
   71   3HE   MET   0          3HE       MET   0   8.103  -1.970  -8.824
   72    H    GLY   1           H        GLY   1   6.976  -4.110  -4.837
   73   1HA   GLY   1          2HA       GLY   1   5.606  -5.929  -3.691
   74   2HA   GLY   1          1HA       GLY   1   6.811  -5.794  -2.420
   75    H    SER   2           H        SER   2   7.001  -2.856  -2.809
   76    HA   SER   2           HA       SER   2   4.670  -2.167  -1.189
   77   1HB   SER   2          2HB       SER   2   7.421  -1.126  -1.479
   78   2HB   SER   2          1HB       SER   2   6.177   0.093  -1.198
   79    HG   SER   2           HG       SER   2   6.133  -0.523   0.799
   80    H    ALA   3           H        ALA   3   6.241  -1.313  -4.218
   81    HA   ALA   3           HA       ALA   3   4.491   0.872  -4.808
   82   1HB   ALA   3          1HB       ALA   3   5.579   0.965  -6.929
   83   2HB   ALA   3          2HB       ALA   3   6.200  -0.675  -6.747
   84   3HB   ALA   3          3HB       ALA   3   6.807   0.619  -5.713
   85    H    GLY   4           H        GLY   4   4.485  -2.568  -5.427
   86   1HA   GLY   4          2HA       GLY   4   2.505  -2.549  -7.470
   87   2HA   GLY   4          1HA       GLY   4   2.984  -3.937  -6.506
   88    H    THR   5           H        THR   5   2.312  -3.255  -3.983
   89    HA   THR   5           HA       THR   5  -0.449  -3.721  -3.903
   90    HB   THR   5           HB       THR   5  -0.038  -2.830  -1.420
   91    HG1  THR   5           1HG      THR   5   1.962  -2.024  -1.548
   92   1HG2  THR   5          1HG2      THR   5  -0.470  -5.177  -2.048
   93   2HG2  THR   5          2HG2      THR   5   0.704  -5.001  -0.744
   94   3HG2  THR   5          3HG2      THR   5   1.252  -5.369  -2.379
   95    H    GLN   6           H        GLN   6   1.407  -0.742  -3.389
   96    HA   GLN   6           HA       GLN   6  -0.782   0.901  -2.732
   97   1HB   GLN   6          2HB       GLN   6   1.880   1.256  -2.699
   98   2HB   GLN   6          1HB       GLN   6   1.503   2.107  -4.190
   99   1HG   GLN   6          2HG       GLN   6   0.520   3.815  -3.120
  100   2HG   GLN   6          1HG       GLN   6  -0.228   2.767  -1.916
  101   1HE2  GLN   6          1HE2      GLN   6   1.324   1.821  -0.308
  102   2HE2  GLN   6          2HE2      GLN   6   2.561   2.864   0.296
  103    H    GLU   7           H        GLU   7   0.574  -0.105  -5.798
  104    HA   GLU   7           HA       GLU   7  -0.757   1.801  -7.417
  105   1HB   GLU   7          2HB       GLU   7   0.813  -0.655  -7.836
  106   2HB   GLU   7          1HB       GLU   7  -0.369  -0.313  -9.093
  107   1HG   GLU   7          2HG       GLU   7   0.706   1.566  -9.795
  108   2HG   GLU   7          1HG       GLU   7   1.391   1.902  -8.205
  109    H    GLU   8           H        GLU   8  -1.543  -1.567  -6.565
  110    HA   GLU   8           HA       GLU   8  -3.910  -1.685  -8.098
  111   1HB   GLU   8          2HB       GLU   8  -4.355  -3.746  -7.030
  112   2HB   GLU   8          1HB       GLU   8  -2.607  -3.642  -7.157
  113   1HG   GLU   8          2HG       GLU   8  -2.482  -4.069  -4.993
  114   2HG   GLU   8          1HG       GLU   8  -3.243  -2.513  -4.682
  115    H    LEU   9           H        LEU   9  -3.231  -0.520  -4.877
  116    HA   LEU   9           HA       LEU   9  -5.903  -0.426  -3.942
  117   1HB   LEU   9          2HB       LEU   9  -3.424   1.089  -3.145
  118   2HB   LEU   9          1HB       LEU   9  -4.960   1.278  -2.321
  119    HG   LEU   9           HG       LEU   9  -3.570  -1.383  -2.579
  120   1HD1  LEU   9          1HD1      LEU   9  -2.445   0.667  -1.260
  121   2HD1  LEU   9          2HD1      LEU   9  -2.317  -1.013  -0.742
  122   3HD1  LEU   9          3HD1      LEU   9  -3.516   0.049  -0.004
  123   1HD2  LEU   9          1HD2      LEU   9  -6.006  -0.361  -1.251
  124   2HD2  LEU   9          2HD2      LEU   9  -5.039  -1.530  -0.353
  125   3HD2  LEU   9          3HD2      LEU   9  -5.670  -1.948  -1.945
  126    H    LEU  10           H        LEU  10  -3.812   2.000  -5.475
  127    HA   LEU  10           HA       LEU  10  -5.661   4.121  -5.391
  128   1HB   LEU  10          2HB       LEU  10  -3.042   3.758  -6.256
  129   2HB   LEU  10          1HB       LEU  10  -3.914   4.189  -7.715
  130    HG   LEU  10           HG       LEU  10  -3.935   5.816  -5.172
  131   1HD1  LEU  10          1HD1      LEU  10  -2.395   6.222  -7.731
  132   2HD1  LEU  10          2HD1      LEU  10  -1.719   5.814  -6.155
  133   3HD1  LEU  10          3HD1      LEU  10  -2.498   7.377  -6.401
  134   1HD2  LEU  10          1HD2      LEU  10  -5.829   5.828  -7.061
  135   2HD2  LEU  10          2HD2      LEU  10  -4.681   6.944  -7.801
  136   3HD2  LEU  10          3HD2      LEU  10  -5.327   7.280  -6.195
  137    H    ARG  11           H        ARG  11  -5.157   1.507  -7.672
  138    HA   ARG  11           HA       ARG  11  -6.777   2.515  -9.757
  139   1HB   ARG  11          2HB       ARG  11  -5.983  -0.305  -9.028
  140   2HB   ARG  11          1HB       ARG  11  -6.871   0.106 -10.489
  141   1HG   ARG  11          2HG       ARG  11  -4.739   1.814 -10.606
  142   2HG   ARG  11          1HG       ARG  11  -4.031   0.370  -9.879
  143   1HD   ARG  11          2HD       ARG  11  -5.415  -0.805 -11.820
  144   2HD   ARG  11          1HD       ARG  11  -5.198   0.772 -12.579
  145    HE   ARG  11           HE       ARG  11  -2.772  -0.350 -11.518
  146   1HH1  ARG  11          1HH1      ARG  11  -4.902  -0.226 -14.282
  147   2HH1  ARG  11          2HH1      ARG  11  -3.663  -0.667 -15.411
  148   1HH2  ARG  11          1HH2      ARG  11  -1.145  -0.930 -13.002
  149   2HH2  ARG  11          2HH2      ARG  11  -1.532  -1.067 -14.685
  150    H    TRP  12           H        TRP  12  -7.466   0.534  -6.925
  151    HA   TRP  12           HA       TRP  12 -10.137  -0.107  -7.618
  152   1HB   TRP  12          2HB       TRP  12  -8.838  -1.361  -5.932
  153   2HB   TRP  12          1HB       TRP  12  -8.868   0.047  -4.875
  154    HD1  TRP  12           HD       TRP  12 -11.357  -2.443  -6.494
  155    HE1  TRP  12           1HE      TRP  12 -13.378  -2.682  -4.919
  156    HE3  TRP  12           3HE      TRP  12 -10.050   1.019  -2.965
  157    HZ2  TRP  12           2HZ      TRP  12 -14.297  -1.551  -2.501
  158    HZ3  TRP  12           3HZ      TRP  12 -11.554   1.379  -1.053
  159    HH2  TRP  12           HH       TRP  12 -13.634   0.120  -0.827
  160    H    CYS  13           H        CYS  13  -8.677   2.532  -5.788
  161    HA   CYS  13           HA       CYS  13 -11.126   3.662  -4.897
  162   1HB   CYS  13          2HB       CYS  13  -8.949   4.118  -3.815
  163   2HB   CYS  13          1HB       CYS  13  -8.434   4.996  -5.251
  164    HG   CYS  13           HG       CYS  13  -9.279   6.875  -3.854
  165    H    GLN  14           H        GLN  14  -8.967   4.383  -7.620
  166    HA   GLN  14           HA       GLN  14 -10.366   6.596  -8.616
  167   1HB   GLN  14          2HB       GLN  14  -8.073   5.923  -9.306
  168   2HB   GLN  14          1HB       GLN  14  -8.768   4.577 -10.199
  169   1HG   GLN  14          2HG       GLN  14 -10.178   6.587 -11.265
  170   2HG   GLN  14          1HG       GLN  14  -8.700   7.452 -10.844
  171   1HE2  GLN  14          1HE2      GLN  14 -10.216   5.531 -13.120
  172   2HE2  GLN  14          2HE2      GLN  14  -8.838   5.118 -14.076
  173    H    GLU  15           H        GLU  15 -10.763   3.139  -9.198
  174    HA   GLU  15           HA       GLU  15 -12.651   3.369 -11.290
  175   1HB   GLU  15          2HB       GLU  15 -11.292   1.309 -10.575
  176   2HB   GLU  15          1HB       GLU  15 -12.530   1.070  -9.350
  177   1HG   GLU  15          2HG       GLU  15 -14.214   0.755 -10.992
  178   2HG   GLU  15          1HG       GLU  15 -13.138   1.286 -12.284
  179    H    GLN  16           H        GLN  16 -12.997   2.945  -7.789
  180    HA   GLN  16           HA       GLN  16 -15.830   2.856  -7.797
  181   1HB   GLN  16          2HB       GLN  16 -13.971   3.639  -5.546
  182   2HB   GLN  16          1HB       GLN  16 -15.656   3.167  -5.378
  183   1HG   GLN  16          2HG       GLN  16 -13.759   1.285  -6.686
  184   2HG   GLN  16          1HG       GLN  16 -13.722   1.464  -4.932
  185   1HE2  GLN  16          1HE2      GLN  16 -16.224   1.669  -4.160
  186   2HE2  GLN  16          2HE2      GLN  16 -17.164   0.299  -4.633
  187    H    THR  17           H        THR  17 -13.515   5.452  -7.792
  188    HA   THR  17           HA       THR  17 -15.536   7.434  -7.118
  189    HB   THR  17           HB       THR  17 -12.665   7.932  -7.899
  190    HG1  THR  17           1HG      THR  17 -12.067   7.360  -5.969
  191   1HG2  THR  17          1HG2      THR  17 -14.684   9.726  -7.402
  192   2HG2  THR  17          2HG2      THR  17 -12.952  10.050  -7.310
  193   3HG2  THR  17          3HG2      THR  17 -13.846   9.612  -5.854
  194    H    ALA  18           H        ALA  18 -14.888   5.789  -9.834
  195    HA   ALA  18           HA       ALA  18 -14.835   7.988 -11.713
  196   1HB   ALA  18          1HB       ALA  18 -15.270   5.909 -13.305
  197   2HB   ALA  18          2HB       ALA  18 -14.687   5.031 -11.892
  198   3HB   ALA  18          3HB       ALA  18 -13.675   6.265 -12.642
  199    H    GLY  19           H        GLY  19 -16.529   8.837 -12.793
  200   1HA   GLY  19          2HA       GLY  19 -18.788   8.080 -13.780
  201   2HA   GLY  19          1HA       GLY  19 -19.192   7.796 -12.095
  202    H    TYR  20           H        TYR  20 -17.531  10.209 -11.345
  203    HA   TYR  20           HA       TYR  20 -19.682  12.124 -11.653
  204   1HB   TYR  20          2HB       TYR  20 -17.070  12.503 -10.186
  205   2HB   TYR  20          1HB       TYR  20 -18.555  13.425  -9.981
  206    HD1  TYR  20           1HD      TYR  20 -20.240  12.702  -8.487
  207    HD2  TYR  20           2HD      TYR  20 -17.017  10.099  -9.451
  208    HE1  TYR  20           1HE      TYR  20 -20.945  11.173  -6.694
  209    HE2  TYR  20           2HE      TYR  20 -17.713   8.563  -7.661
  210    HH   TYR  20           HH       TYR  20 -19.858   8.032  -6.423
  211    HA   PRO  21           HA       PRO  21 -17.821  14.317 -15.020
  212   1HB   PRO  21          2HB       PRO  21 -19.025  16.732 -14.710
  213   2HB   PRO  21          1HB       PRO  21 -19.867  15.313 -15.345
  214   1HG   PRO  21          2HG       PRO  21 -19.894  16.449 -12.575
  215   2HG   PRO  21          1HG       PRO  21 -21.246  15.836 -13.545
  216   1HD   PRO  21          2HD       PRO  21 -20.075  14.369 -11.598
  217   2HD   PRO  21          1HD       PRO  21 -20.758  13.635 -13.062
  218    H    GLY  22           H        GLY  22 -15.878  14.087 -13.313
  219   1HA   GLY  22          2HA       GLY  22 -14.104  16.036 -13.563
  220   2HA   GLY  22          1HA       GLY  22 -15.084  16.689 -12.259
  221    H    VAL  23           H        VAL  23 -14.217  13.313 -12.843
  222    HA   VAL  23           HA       VAL  23 -13.144  13.175 -10.137
  223    HB   VAL  23           HB       VAL  23 -14.766  11.461 -10.859
  224   1HG1  VAL  23          1HG1      VAL  23 -12.616  10.420 -12.689
  225   2HG1  VAL  23          2HG1      VAL  23 -13.961  11.416 -13.245
  226   3HG1  VAL  23          3HG1      VAL  23 -14.274   9.840 -12.519
  227   1HG2  VAL  23          1HG2      VAL  23 -13.147   9.453 -10.346
  228   2HG2  VAL  23          2HG2      VAL  23 -13.527  10.653  -9.110
  229   3HG2  VAL  23          3HG2      VAL  23 -12.006  10.752  -9.997
  230    H    HIS  24           H        HIS  24 -11.061  13.329  -9.759
  231    HA   HIS  24           HA       HIS  24  -9.155  12.379 -11.784
  232   1HB   HIS  24          2HB       HIS  24  -9.556  15.078 -11.055
  233   2HB   HIS  24          1HB       HIS  24  -8.040  14.589 -10.309
  234    HD1  HIS  24           1HD      HIS  24  -9.624  14.162 -13.753
  235    HD2  HIS  24           2HD      HIS  24  -5.975  15.048 -11.974
  236    HE1  HIS  24           1HE      HIS  24  -8.028  14.561 -15.655
  237    HE2  HIS  24           2HE      HIS  24  -5.806  15.007 -14.555
  238    H    VAL  25           H        VAL  25  -9.275  10.487 -10.334
  239    HA   VAL  25           HA       VAL  25  -7.886  10.837  -7.780
  240    HB   VAL  25           HB       VAL  25  -9.166   8.320  -8.842
  241   1HG1  VAL  25          1HG1      VAL  25  -8.632   9.041  -5.977
  242   2HG1  VAL  25          2HG1      VAL  25  -7.416   8.247  -6.978
  243   3HG1  VAL  25          3HG1      VAL  25  -8.962   7.455  -6.675
  244   1HG2  VAL  25          1HG2      VAL  25 -10.332  10.681  -7.474
  245   2HG2  VAL  25          2HG2      VAL  25 -10.898   9.085  -6.982
  246   3HG2  VAL  25          3HG2      VAL  25 -11.046   9.595  -8.665
  247    H    SER  26           H        SER  26  -5.758  11.106  -8.479
  248    HA   SER  26           HA       SER  26  -4.438   8.627  -9.228
  249   1HB   SER  26          2HB       SER  26  -4.504  11.080 -10.930
  250   2HB   SER  26          1HB       SER  26  -3.006  10.152 -10.858
  251    HG   SER  26           HG       SER  26  -4.061   8.388 -11.667
  252    H    ASP  27           H        ASP  27  -4.658  10.578  -6.927
  253    HA   ASP  27           HA       ASP  27  -1.778  10.769  -6.426
  254   1HB   ASP  27          2HB       ASP  27  -3.716  12.996  -5.768
  255   2HB   ASP  27          1HB       ASP  27  -1.978  12.995  -5.487
  256    H    LEU  28           H        LEU  28  -1.179  10.592  -4.240
  257    HA   LEU  28           HA       LEU  28  -3.274   9.439  -2.544
  258   1HB   LEU  28          2HB       LEU  28  -0.267   9.255  -2.340
  259   2HB   LEU  28          1HB       LEU  28  -1.400   8.482  -1.247
  260    HG   LEU  28           HG       LEU  28  -2.289   7.449  -3.553
  261   1HD1  LEU  28          1HD1      LEU  28  -0.907   8.166  -5.194
  262   2HD1  LEU  28          2HD1      LEU  28   0.068   6.806  -4.639
  263   3HD1  LEU  28          3HD1      LEU  28   0.441   8.441  -4.093
  264   1HD2  LEU  28          1HD2      LEU  28  -1.210   6.445  -1.359
  265   2HD2  LEU  28          2HD2      LEU  28   0.155   6.173  -2.443
  266   3HD2  LEU  28          3HD2      LEU  28  -1.421   5.472  -2.814
  267    H    SER  29           H        SER  29  -3.225  12.237  -2.765
  268    HA   SER  29           HA       SER  29  -3.200  12.981  -0.048
  269   1HB   SER  29          2HB       SER  29  -0.820  13.047  -0.149
  270   2HB   SER  29          1HB       SER  29  -0.839  13.888  -1.699
  271    HG   SER  29           HG       SER  29  -1.619  15.714  -0.668
  272    H    SER  30           H        SER  30  -2.133  15.021  -2.745
  273    HA   SER  30           HA       SER  30  -3.962  17.062  -2.276
  274   1HB   SER  30          2HB       SER  30  -2.193  16.290  -4.535
  275   2HB   SER  30          1HB       SER  30  -3.486  17.435  -4.893
  276    HG   SER  30           HG       SER  30  -2.056  18.807  -4.149
  277    H    SER  31           H        SER  31  -4.422  14.033  -3.848
  278    HA   SER  31           HA       SER  31  -6.606  14.699  -5.509
  279   1HB   SER  31          2HB       SER  31  -5.216  12.303  -4.673
  280   2HB   SER  31          1HB       SER  31  -6.957  12.032  -4.718
  281    HG   SER  31           HG       SER  31  -6.447  11.702  -6.764
  282    H    TRP  32           H        TRP  32  -6.348  13.941  -2.111
  283    HA   TRP  32           HA       TRP  32  -9.252  13.797  -1.836
  284   1HB   TRP  32          2HB       TRP  32  -7.231  13.522   0.385
  285   2HB   TRP  32          1HB       TRP  32  -8.890  12.935   0.344
  286    HD1  TRP  32           HD       TRP  32  -5.546  12.250  -1.509
  287    HE1  TRP  32           1HE      TRP  32  -5.465   9.745  -2.093
  288    HE3  TRP  32           3HE      TRP  32 -10.156  10.866   0.219
  289    HZ2  TRP  32           2HZ      TRP  32  -7.134   7.481  -1.850
  290    HZ3  TRP  32           3HZ      TRP  32 -10.836   8.510   0.005
  291    HH2  TRP  32           HH       TRP  32  -9.356   6.854  -1.008
  292    H    ALA  33           H        ALA  33  -7.406  16.291  -2.274
  293    HA   ALA  33           HA       ALA  33  -7.527  17.935  -0.034
  294   1HB   ALA  33          1HB       ALA  33  -7.774  19.742  -2.014
  295   2HB   ALA  33          2HB       ALA  33  -7.219  18.343  -2.936
  296   3HB   ALA  33          3HB       ALA  33  -6.254  18.953  -1.590
  297    H    ASP  34           H        ASP  34  -9.806  17.901  -2.789
  298    HA   ASP  34           HA       ASP  34 -11.704  19.507  -1.340
  299   1HB   ASP  34          2HB       ASP  34 -13.161  19.049  -3.374
  300   2HB   ASP  34          1HB       ASP  34 -11.645  19.892  -3.680
  301    H    GLY  35           H        GLY  35 -10.915  16.313  -1.098
  302   1HA   GLY  35          2HA       GLY  35 -11.946  14.566  -0.021
  303   2HA   GLY  35          1HA       GLY  35 -13.221  15.686   0.429
  304    H    LEU  36           H        LEU  36 -12.300  15.020  -2.888
  305    HA   LEU  36           HA       LEU  36 -14.995  14.330  -3.562
  306   1HB   LEU  36          2HB       LEU  36 -12.518  14.928  -4.965
  307   2HB   LEU  36          1HB       LEU  36 -13.407  13.624  -5.727
  308    HG   LEU  36           HG       LEU  36 -15.101  15.902  -5.036
  309   1HD1  LEU  36          1HD1      LEU  36 -12.553  16.410  -6.322
  310   2HD1  LEU  36          2HD1      LEU  36 -13.764  17.543  -5.717
  311   3HD1  LEU  36          3HD1      LEU  36 -13.918  16.870  -7.340
  312   1HD2  LEU  36          1HD2      LEU  36 -16.085  15.448  -7.099
  313   2HD2  LEU  36          2HD2      LEU  36 -15.557  13.865  -6.531
  314   3HD2  LEU  36          3HD2      LEU  36 -14.615  14.725  -7.749
  315    H    ALA  37           H        ALA  37 -11.963  12.547  -3.218
  316    HA   ALA  37           HA       ALA  37 -12.826  10.079  -4.210
  317   1HB   ALA  37          1HB       ALA  37 -10.674  10.893  -2.302
  318   2HB   ALA  37          2HB       ALA  37 -10.533  10.248  -3.937
  319   3HB   ALA  37          3HB       ALA  37 -10.999   9.187  -2.607
  320    H    LEU  38           H        LEU  38 -12.851  11.337  -0.884
  321    HA   LEU  38           HA       LEU  38 -13.969   9.013   0.280
  322   1HB   LEU  38          2HB       LEU  38 -12.764  11.053   1.363
  323   2HB   LEU  38          1HB       LEU  38 -14.370  11.753   1.418
  324    HG   LEU  38           HG       LEU  38 -14.327   9.050   2.496
  325   1HD1  LEU  38          1HD1      LEU  38 -13.145   9.749   4.603
  326   2HD1  LEU  38          2HD1      LEU  38 -12.507  11.122   3.698
  327   3HD1  LEU  38          3HD1      LEU  38 -12.106   9.477   3.204
  328   1HD2  LEU  38          1HD2      LEU  38 -16.201  10.180   3.109
  329   2HD2  LEU  38          2HD2      LEU  38 -15.374  11.738   3.181
  330   3HD2  LEU  38          3HD2      LEU  38 -15.183  10.575   4.495
  331    H    CYS  39           H        CYS  39 -15.419  12.064  -0.815
  332    HA   CYS  39           HA       CYS  39 -18.058  11.455  -0.043
  333   1HB   CYS  39          2HB       CYS  39 -16.817  13.663  -1.038
  334   2HB   CYS  39          1HB       CYS  39 -17.735  13.139  -2.443
  335    HG   CYS  39           HG       CYS  39 -19.064  14.826  -0.807
  336    H    ALA  40           H        ALA  40 -16.303  10.936  -3.071
  337    HA   ALA  40           HA       ALA  40 -18.422  10.047  -4.650
  338   1HB   ALA  40          1HB       ALA  40 -16.596  10.345  -5.952
  339   2HB   ALA  40          2HB       ALA  40 -16.408   8.613  -5.678
  340   3HB   ALA  40          3HB       ALA  40 -15.482   9.765  -4.715
  341    H    LEU  41           H        LEU  41 -16.227   8.184  -2.562
  342    HA   LEU  41           HA       LEU  41 -17.244   5.642  -3.137
  343   1HB   LEU  41          2HB       LEU  41 -16.093   6.590  -0.511
  344   2HB   LEU  41          1HB       LEU  41 -16.205   4.928  -1.059
  345    HG   LEU  41           HG       LEU  41 -14.694   6.787  -2.800
  346   1HD1  LEU  41          1HD1      LEU  41 -14.163   7.055  -0.180
  347   2HD1  LEU  41          2HD1      LEU  41 -12.937   7.184  -1.441
  348   3HD1  LEU  41          3HD1      LEU  41 -13.138   5.670  -0.558
  349   1HD2  LEU  41          1HD2      LEU  41 -13.671   4.896  -3.500
  350   2HD2  LEU  41          2HD2      LEU  41 -15.123   4.142  -2.841
  351   3HD2  LEU  41          3HD2      LEU  41 -13.642   4.184  -1.885
  352    H    VAL  42           H        VAL  42 -18.047   7.832  -0.445
  353    HA   VAL  42           HA       VAL  42 -20.031   6.244   0.720
  354    HB   VAL  42           HB       VAL  42 -20.009   9.263   0.693
  355   1HG1  VAL  42          1HG1      VAL  42 -22.011   7.991   1.600
  356   2HG1  VAL  42          2HG1      VAL  42 -21.250   9.148   2.692
  357   3HG1  VAL  42          3HG1      VAL  42 -20.940   7.423   2.881
  358   1HG2  VAL  42          1HG2      VAL  42 -18.802   7.990   3.010
  359   2HG2  VAL  42          2HG2      VAL  42 -18.209   9.316   2.010
  360   3HG2  VAL  42          3HG2      VAL  42 -17.923   7.646   1.521
  361    H    TYR  43           H        TYR  43 -20.247   8.744  -1.778
  362    HA   TYR  43           HA       TYR  43 -23.031   8.829  -2.029
  363   1HB   TYR  43          2HB       TYR  43 -21.532  10.486  -3.046
  364   2HB   TYR  43          1HB       TYR  43 -20.928   9.265  -4.163
  365    HD1  TYR  43           1HD      TYR  43 -23.799  11.387  -3.293
  366    HD2  TYR  43           2HD      TYR  43 -22.222   8.586  -6.079
  367    HE1  TYR  43           1HE      TYR  43 -25.583  11.972  -4.880
  368    HE2  TYR  43           2HE      TYR  43 -24.003   9.163  -7.675
  369    HH   TYR  43           HH       TYR  43 -26.027  11.879  -7.267
  370    H    ARG  44           H        ARG  44 -20.638   6.682  -3.483
  371    HA   ARG  44           HA       ARG  44 -22.346   5.423  -5.333
  372   1HB   ARG  44          2HB       ARG  44 -19.847   5.267  -5.322
  373   2HB   ARG  44          1HB       ARG  44 -19.964   4.194  -3.933
  374   1HG   ARG  44          2HG       ARG  44 -20.901   2.475  -5.180
  375   2HG   ARG  44          1HG       ARG  44 -21.413   3.559  -6.472
  376   1HD   ARG  44          2HD       ARG  44 -18.525   3.547  -6.030
  377   2HD   ARG  44          1HD       ARG  44 -19.174   1.976  -6.499
  378    HE   ARG  44           HE       ARG  44 -20.040   4.211  -8.122
  379   1HH1  ARG  44          1HH1      ARG  44 -17.716   1.635  -7.717
  380   2HH1  ARG  44          2HH1      ARG  44 -17.274   1.605  -9.391
  381   1HH2  ARG  44          1HH2      ARG  44 -19.456   4.170 -10.321
  382   2HH2  ARG  44          2HH2      ARG  44 -18.260   3.043 -10.868
  383    H    LEU  45           H        LEU  45 -21.559   4.688  -1.963
  384    HA   LEU  45           HA       LEU  45 -23.208   2.330  -1.913
  385   1HB   LEU  45          2HB       LEU  45 -21.643   3.873   0.120
  386   2HB   LEU  45          1HB       LEU  45 -22.822   2.690   0.652
  387    HG   LEU  45           HG       LEU  45 -20.487   1.826   0.543
  388   1HD1  LEU  45          1HD1      LEU  45 -21.131  -0.213  -0.885
  389   2HD1  LEU  45          2HD1      LEU  45 -22.689   0.593  -1.070
  390   3HD1  LEU  45          3HD1      LEU  45 -22.107   0.158   0.537
  391   1HD2  LEU  45          1HD2      LEU  45 -19.781   3.081  -1.446
  392   2HD2  LEU  45          2HD2      LEU  45 -20.869   2.107  -2.437
  393   3HD2  LEU  45          3HD2      LEU  45 -19.499   1.350  -1.621
  394    H    GLN  46           H        GLN  46 -23.512   5.697  -0.962
  395    HA   GLN  46           HA       GLN  46 -26.402   5.355  -0.760
  396   1HB   GLN  46          2HB       GLN  46 -24.617   6.274   1.470
  397   2HB   GLN  46          1HB       GLN  46 -26.255   6.902   1.340
  398   1HG   GLN  46          2HG       GLN  46 -25.915   3.966   1.204
  399   2HG   GLN  46          1HG       GLN  46 -25.649   4.745   2.763
  400   1HE2  GLN  46          1HE2      GLN  46 -27.400   4.316   3.920
  401   2HE2  GLN  46          2HE2      GLN  46 -29.030   4.595   3.421
  402    HA   PRO  47           HA       PRO  47 -25.097   9.161  -3.050
  403   1HB   PRO  47          2HB       PRO  47 -26.874   8.875  -5.075
  404   2HB   PRO  47          1HB       PRO  47 -25.295   8.082  -5.069
  405   1HG   PRO  47          2HG       PRO  47 -27.978   6.964  -4.347
  406   2HG   PRO  47          1HG       PRO  47 -26.681   6.229  -5.307
  407   1HD   PRO  47          2HD       PRO  47 -27.107   5.610  -2.702
  408   2HD   PRO  47          1HD       PRO  47 -25.491   5.592  -3.439
  409    H    GLY  48           H        GLY  48 -28.365   7.923  -2.486
  410   1HA   GLY  48          2HA       GLY  48 -29.743  10.352  -2.707
  411   2HA   GLY  48          1HA       GLY  48 -30.288   8.962  -1.782
  412    H    LEU  49           H        LEU  49 -27.915   8.999  -0.049
  413    HA   LEU  49           HA       LEU  49 -28.825  11.128   1.735
  414   1HB   LEU  49          2HB       LEU  49 -27.209   8.629   2.167
  415   2HB   LEU  49          1HB       LEU  49 -27.356   9.865   3.401
  416    HG   LEU  49           HG       LEU  49 -28.913   7.941   3.686
  417   1HD1  LEU  49          1HD1      LEU  49 -31.020   9.586   3.680
  418   2HD1  LEU  49          2HD1      LEU  49 -29.728  10.775   3.514
  419   3HD1  LEU  49          3HD1      LEU  49 -29.738   9.670   4.888
  420   1HD2  LEU  49          1HD2      LEU  49 -29.336   7.579   1.272
  421   2HD2  LEU  49          2HD2      LEU  49 -30.288   9.062   1.250
  422   3HD2  LEU  49          3HD2      LEU  49 -30.812   7.694   2.231
  423    H    LEU  50           H        LEU  50 -26.994  11.550  -0.609
  424    HA   LEU  50           HA       LEU  50 -25.052  13.158   0.819
  425   1HB   LEU  50          2HB       LEU  50 -24.342  10.746  -0.756
  426   2HB   LEU  50          1HB       LEU  50 -23.320  12.158  -0.955
  427    HG   LEU  50           HG       LEU  50 -23.478  11.994   1.766
  428   1HD1  LEU  50          1HD1      LEU  50 -23.142   9.684   2.405
  429   2HD1  LEU  50          2HD1      LEU  50 -23.363   9.165   0.734
  430   3HD1  LEU  50          3HD1      LEU  50 -24.711   9.872   1.622
  431   1HD2  LEU  50          1HD2      LEU  50 -21.513  10.938  -0.231
  432   2HD2  LEU  50          2HD2      LEU  50 -21.224  10.766   1.500
  433   3HD2  LEU  50          3HD2      LEU  50 -21.405  12.371   0.792
  434    H    GLU  51           H        GLU  51 -23.639  14.380  -0.847
  435    HA   GLU  51           HA       GLU  51 -24.822  14.822  -3.431
  436   1HB   GLU  51          2HB       GLU  51 -25.010  16.964  -1.303
  437   2HB   GLU  51          1HB       GLU  51 -25.281  17.241  -3.018
  438   1HG   GLU  51          2HG       GLU  51 -27.081  15.447  -2.853
  439   2HG   GLU  51          1HG       GLU  51 -26.928  15.626  -1.106
  440    HA   PRO  52           HA       PRO  52 -20.176  15.575  -2.662
  441   1HB   PRO  52          2HB       PRO  52 -19.567  14.115  -4.962
  442   2HB   PRO  52          1HB       PRO  52 -19.465  13.519  -3.305
  443   1HG   PRO  52          2HG       PRO  52 -21.643  13.168  -5.315
  444   2HG   PRO  52          1HG       PRO  52 -21.014  12.013  -4.126
  445   1HD   PRO  52          2HD       PRO  52 -23.332  13.269  -3.719
  446   2HD   PRO  52          1HD       PRO  52 -22.206  12.983  -2.375
  447    H    SER  53           H        SER  53 -22.305  15.696  -5.463
  448    HA   SER  53           HA       SER  53 -20.744  17.137  -7.231
  449   1HB   SER  53          2HB       SER  53 -23.269  16.191  -7.303
  450   2HB   SER  53          1HB       SER  53 -23.599  17.911  -7.102
  451    HG   SER  53           HG       SER  53 -23.407  17.226  -9.316
  452    H    GLU  54           H        GLU  54 -22.895  18.370  -4.703
  453    HA   GLU  54           HA       GLU  54 -22.333  21.109  -5.246
  454   1HB   GLU  54          2HB       GLU  54 -23.813  19.592  -3.173
  455   2HB   GLU  54          1HB       GLU  54 -23.264  21.202  -2.728
  456   1HG   GLU  54          2HG       GLU  54 -24.353  21.804  -5.069
  457   2HG   GLU  54          1HG       GLU  54 -25.305  20.366  -4.702
  458    H    LEU  55           H        LEU  55 -21.271  18.896  -2.670
  459    HA   LEU  55           HA       LEU  55 -19.527  20.778  -1.454
  460   1HB   LEU  55          2HB       LEU  55 -19.355  17.785  -1.218
  461   2HB   LEU  55          1HB       LEU  55 -18.800  18.985  -0.066
  462    HG   LEU  55           HG       LEU  55 -21.708  18.887  -0.730
  463   1HD1  LEU  55          1HD1      LEU  55 -22.055  17.217   1.036
  464   2HD1  LEU  55          2HD1      LEU  55 -20.311  16.986   1.145
  465   3HD1  LEU  55          3HD1      LEU  55 -21.165  16.559  -0.337
  466   1HD2  LEU  55          1HD2      LEU  55 -20.262  20.479   0.883
  467   2HD2  LEU  55          2HD2      LEU  55 -20.679  19.194   2.016
  468   3HD2  LEU  55          3HD2      LEU  55 -21.953  20.074   1.174
  469    H    GLN  56           H        GLN  56 -19.224  19.046  -4.320
  470    HA   GLN  56           HA       GLN  56 -16.532  18.300  -4.312
  471   1HB   GLN  56          2HB       GLN  56 -18.065  17.533  -6.033
  472   2HB   GLN  56          1HB       GLN  56 -18.288  19.179  -6.609
  473   1HG   GLN  56          2HG       GLN  56 -15.783  19.166  -7.083
  474   2HG   GLN  56          1HG       GLN  56 -15.873  17.421  -6.851
  475   1HE2  GLN  56          1HE2      GLN  56 -17.761  16.407  -8.115
  476   2HE2  GLN  56          2HE2      GLN  56 -17.903  16.905  -9.763
  477    H    GLY  57           H        GLY  57 -18.057  21.377  -5.114
  478   1HA   GLY  57          2HA       GLY  57 -15.347  22.547  -5.255
  479   2HA   GLY  57          1HA       GLY  57 -16.689  23.119  -6.238
  480    H    LEU  58           H        LEU  58 -18.329  22.577  -3.602
  481    HA   LEU  58           HA       LEU  58 -18.491  25.256  -2.802
  482   1HB   LEU  58          2HB       LEU  58 -19.704  22.744  -2.053
  483   2HB   LEU  58          1HB       LEU  58 -19.378  23.717  -0.633
  484    HG   LEU  58           HG       LEU  58 -20.511  25.562  -2.281
  485   1HD1  LEU  58          1HD1      LEU  58 -20.996  23.794  -3.950
  486   2HD1  LEU  58          2HD1      LEU  58 -22.439  24.604  -3.341
  487   3HD1  LEU  58          3HD1      LEU  58 -22.017  22.996  -2.753
  488   1HD2  LEU  58          1HD2      LEU  58 -21.690  23.744  -0.204
  489   2HD2  LEU  58          2HD2      LEU  58 -22.629  25.034  -0.954
  490   3HD2  LEU  58          3HD2      LEU  58 -21.173  25.423  -0.039
  491    H    GLY  59           H        GLY  59 -16.443  22.645  -1.738
  492   1HA   GLY  59          2HA       GLY  59 -14.476  24.169  -0.613
  493   2HA   GLY  59          1HA       GLY  59 -15.626  23.945   0.697
  494    H    ALA  60           H        ALA  60 -12.876  23.019   0.488
  495    HA   ALA  60           HA       ALA  60 -12.929  20.189   0.027
  496   1HB   ALA  60          1HB       ALA  60 -10.915  22.171   0.928
  497   2HB   ALA  60          2HB       ALA  60 -10.812  20.945  -0.335
  498   3HB   ALA  60          3HB       ALA  60 -10.648  20.482   1.359
  499    H    LEU  61           H        LEU  61 -12.484  22.172   2.959
  500    HA   LEU  61           HA       LEU  61 -12.604  20.046   4.781
  501   1HB   LEU  61          2HB       LEU  61 -13.136  22.992   5.042
  502   2HB   LEU  61          1HB       LEU  61 -13.312  21.910   6.409
  503    HG   LEU  61           HG       LEU  61 -11.128  23.081   6.350
  504   1HD1  LEU  61          1HD1      LEU  61 -11.107  20.082   6.090
  505   2HD1  LEU  61          2HD1      LEU  61 -11.256  21.034   7.568
  506   3HD1  LEU  61          3HD1      LEU  61  -9.739  21.034   6.668
  507   1HD2  LEU  61          1HD2      LEU  61 -10.543  21.367   3.943
  508   2HD2  LEU  61          2HD2      LEU  61  -9.484  22.559   4.700
  509   3HD2  LEU  61          3HD2      LEU  61 -10.943  23.082   3.858
  510    H    GLU  62           H        GLU  62 -15.122  22.059   3.369
  511    HA   GLU  62           HA       GLU  62 -17.246  21.202   5.014
  512   1HB   GLU  62          2HB       GLU  62 -17.073  23.158   3.261
  513   2HB   GLU  62          1HB       GLU  62 -17.703  21.947   2.154
  514   1HG   GLU  62          2HG       GLU  62 -19.504  21.604   4.008
  515   2HG   GLU  62          1HG       GLU  62 -19.001  23.216   4.514
  516    H    ALA  63           H        ALA  63 -16.070  20.036   1.873
  517    HA   ALA  63           HA       ALA  63 -18.047  18.068   1.493
  518   1HB   ALA  63          1HB       ALA  63 -17.002  18.262  -0.478
  519   2HB   ALA  63          2HB       ALA  63 -15.872  17.073   0.170
  520   3HB   ALA  63          3HB       ALA  63 -15.494  18.793   0.265
  521    H    THR  64           H        THR  64 -14.833  17.923   2.979
  522    HA   THR  64           HA       THR  64 -14.864  15.138   3.479
  523    HB   THR  64           HB       THR  64 -13.339  17.033   5.221
  524    HG1  THR  64           1HG      THR  64 -12.807  17.995   3.395
  525   1HG2  THR  64          1HG2      THR  64 -12.182  15.217   5.698
  526   2HG2  THR  64          2HG2      THR  64 -11.719  15.072   4.002
  527   3HG2  THR  64          3HG2      THR  64 -13.177  14.271   4.593
  528    H    ALA  65           H        ALA  65 -15.676  17.941   5.500
  529    HA   ALA  65           HA       ALA  65 -16.233  16.494   7.851
  530   1HB   ALA  65          1HB       ALA  65 -16.003  18.687   8.366
  531   2HB   ALA  65          2HB       ALA  65 -17.757  18.659   8.200
  532   3HB   ALA  65          3HB       ALA  65 -16.756  19.233   6.868
  533    H    TRP  66           H        TRP  66 -18.341  17.576   5.206
  534    HA   TRP  66           HA       TRP  66 -20.750  16.658   6.373
  535   1HB   TRP  66          2HB       TRP  66 -20.126  18.169   4.177
  536   2HB   TRP  66          1HB       TRP  66 -20.657  16.664   3.433
  537    HD1  TRP  66           HD       TRP  66 -21.963  19.345   5.897
  538    HE1  TRP  66           1HE      TRP  66 -24.530  19.413   5.713
  539    HE3  TRP  66           3HE      TRP  66 -22.648  15.449   2.659
  540    HZ2  TRP  66           2HZ      TRP  66 -26.574  18.000   4.373
  541    HZ3  TRP  66           3HZ      TRP  66 -24.942  14.871   1.977
  542    HH2  TRP  66           HH       TRP  66 -26.862  16.122   2.816
  543    H    ALA  67           H        ALA  67 -18.630  15.239   3.894
  544    HA   ALA  67           HA       ALA  67 -20.099  12.876   3.525
  545   1HB   ALA  67          1HB       ALA  67 -17.331  13.754   2.908
  546   2HB   ALA  67          2HB       ALA  67 -18.601  13.174   1.832
  547   3HB   ALA  67          3HB       ALA  67 -17.694  12.031   2.822
  548    H    LEU  68           H        LEU  68 -17.470  13.675   5.750
  549    HA   LEU  68           HA       LEU  68 -17.063  11.077   6.755
  550   1HB   LEU  68          2HB       LEU  68 -15.543  13.063   7.028
  551   2HB   LEU  68          1HB       LEU  68 -16.650  13.660   8.250
  552    HG   LEU  68           HG       LEU  68 -15.981  10.976   8.926
  553   1HD1  LEU  68          1HD1      LEU  68 -13.453  12.481   8.988
  554   2HD1  LEU  68          2HD1      LEU  68 -13.949  11.886   7.404
  555   3HD1  LEU  68          3HD1      LEU  68 -13.749  10.760   8.745
  556   1HD2  LEU  68          1HD2      LEU  68 -14.960  12.146  10.907
  557   2HD2  LEU  68          2HD2      LEU  68 -16.646  12.545  10.575
  558   3HD2  LEU  68          3HD2      LEU  68 -15.366  13.670  10.118
  559    H    LYS  69           H        LYS  69 -19.111  13.742   7.908
  560    HA   LYS  69           HA       LYS  69 -20.066  12.390  10.202
  561   1HB   LYS  69          2HB       LYS  69 -20.178  14.831   9.942
  562   2HB   LYS  69          1HB       LYS  69 -21.339  14.640   8.637
  563   1HG   LYS  69          2HG       LYS  69 -22.961  13.706  10.156
  564   2HG   LYS  69          1HG       LYS  69 -21.789  13.743  11.475
  565   1HD   LYS  69          2HD       LYS  69 -22.749  15.719  11.962
  566   2HD   LYS  69          1HD       LYS  69 -21.732  16.330  10.654
  567   1HE   LYS  69          2HE       LYS  69 -24.531  15.294  10.245
  568   2HE   LYS  69          1HE       LYS  69 -24.155  16.991  10.538
  569   1HZ   LYS  69          1HZ       LYS  69 -23.741  15.388   8.155
  570   2HZ   LYS  69          2HZ       LYS  69 -22.489  16.458   8.539
  571   3HZ   LYS  69          3HZ       LYS  69 -24.059  17.044   8.307
  572    H    VAL  70           H        VAL  70 -21.483  12.854   6.969
  573    HA   VAL  70           HA       VAL  70 -23.829  11.351   7.515
  574    HB   VAL  70           HB       VAL  70 -22.594  11.857   4.805
  575   1HG1  VAL  70          1HG1      VAL  70 -24.287  10.461   4.266
  576   2HG1  VAL  70          2HG1      VAL  70 -25.254  11.928   4.423
  577   3HG1  VAL  70          3HG1      VAL  70 -25.171  10.781   5.760
  578   1HG2  VAL  70          1HG2      VAL  70 -23.263  13.997   4.840
  579   2HG2  VAL  70          2HG2      VAL  70 -23.289  13.808   6.593
  580   3HG2  VAL  70          3HG2      VAL  70 -24.775  13.608   5.662
  581    H    ALA  71           H        ALA  71 -20.688  10.527   6.126
  582    HA   ALA  71           HA       ALA  71 -21.266   7.974   5.178
  583   1HB   ALA  71          1HB       ALA  71 -18.849   7.508   5.493
  584   2HB   ALA  71          2HB       ALA  71 -18.705   9.031   6.370
  585   3HB   ALA  71          3HB       ALA  71 -19.165   9.034   4.668
  586    H    GLU  72           H        GLU  72 -20.208   9.008   8.398
  587    HA   GLU  72           HA       GLU  72 -20.213   6.392   9.511
  588   1HB   GLU  72          2HB       GLU  72 -20.017   7.529  11.678
  589   2HB   GLU  72          1HB       GLU  72 -18.885   8.182  10.504
  590   1HG   GLU  72          2HG       GLU  72 -20.167  10.144  10.216
  591   2HG   GLU  72          1HG       GLU  72 -21.540   9.457  11.084
  592    H    ASN  73           H        ASN  73 -22.576   8.991   9.305
  593    HA   ASN  73           HA       ASN  73 -24.467   7.820  11.065
  594   1HB   ASN  73          2HB       ASN  73 -24.312  10.157   9.343
  595   2HB   ASN  73          1HB       ASN  73 -25.916   9.431   9.327
  596   1HD2  ASN  73          1HD2      ASN  73 -27.238   9.789  10.989
  597   2HD2  ASN  73          2HD2      ASN  73 -26.801  10.602  12.449
  598    H    GLU  74           H        GLU  74 -24.044   7.736   7.558
  599    HA   GLU  74           HA       GLU  74 -26.413   6.154   7.150
  600   1HB   GLU  74          2HB       GLU  74 -24.523   7.604   5.507
  601   2HB   GLU  74          1HB       GLU  74 -24.853   6.014   4.833
  602   1HG   GLU  74          2HG       GLU  74 -26.339   7.772   3.962
  603   2HG   GLU  74          1HG       GLU  74 -27.206   6.465   4.767
  604    H    LEU  75           H        LEU  75 -22.913   5.544   7.106
  605    HA   LEU  75           HA       LEU  75 -23.421   2.708   6.620
  606   1HB   LEU  75          2HB       LEU  75 -20.726   4.007   6.881
  607   2HB   LEU  75          1HB       LEU  75 -21.131   2.495   6.091
  608    HG   LEU  75           HG       LEU  75 -22.136   5.146   5.081
  609   1HD1  LEU  75          1HD1      LEU  75 -20.241   4.678   3.336
  610   2HD1  LEU  75          2HD1      LEU  75 -19.500   3.815   4.682
  611   3HD1  LEU  75          3HD1      LEU  75 -19.886   5.529   4.840
  612   1HD2  LEU  75          1HD2      LEU  75 -23.008   2.710   4.455
  613   2HD2  LEU  75          2HD2      LEU  75 -21.630   2.792   3.356
  614   3HD2  LEU  75          3HD2      LEU  75 -22.901   4.010   3.271
  615    H    GLY  76           H        GLY  76 -22.002   4.815   9.089
  616   1HA   GLY  76          2HA       GLY  76 -22.067   4.306  11.408
  617   2HA   GLY  76          1HA       GLY  76 -22.293   2.613  11.001
  618    H    ILE  77           H        ILE  77 -19.833   4.469   9.406
  619    HA   ILE  77           HA       ILE  77 -17.795   2.770  10.618
  620    HB   ILE  77           HB       ILE  77 -17.409   4.801   8.423
  621   1HG1  ILE  77          2HG1      ILE  77 -19.145   3.144   7.801
  622   2HG1  ILE  77          1HG1      ILE  77 -17.688   2.989   6.824
  623   1HG2  ILE  77          1HG2      ILE  77 -15.793   2.460   9.403
  624   2HG2  ILE  77          2HG2      ILE  77 -15.338   4.164   9.391
  625   3HG2  ILE  77          3HG2      ILE  77 -15.488   3.281   7.872
  626   1HD1  ILE  77          1HD1      ILE  77 -18.535   1.233   9.112
  627   2HD1  ILE  77          2HD1      ILE  77 -16.979   1.120   8.290
  628   3HD1  ILE  77          3HD1      ILE  77 -18.469   0.809   7.402
  629    H    THR  78           H        THR  78 -16.498   3.436  12.194
  630    HA   THR  78           HA       THR  78 -16.695   6.085  13.244
  631    HB   THR  78           HB       THR  78 -14.741   3.891  13.959
  632    HG1  THR  78           1HG      THR  78 -16.364   2.972  14.878
  633   1HG2  THR  78          1HG2      THR  78 -13.868   5.689  15.069
  634   2HG2  THR  78          2HG2      THR  78 -15.032   5.094  16.252
  635   3HG2  THR  78          3HG2      THR  78 -15.434   6.483  15.242
  636    HA   PRO  79           HA       PRO  79 -13.675   8.075  10.640
  637   1HB   PRO  79          2HB       PRO  79 -13.282   9.750  13.072
  638   2HB   PRO  79          1HB       PRO  79 -13.601  10.242  11.405
  639   1HG   PRO  79          2HG       PRO  79 -15.523  10.354  13.239
  640   2HG   PRO  79          1HG       PRO  79 -15.878   9.837  11.581
  641   1HD   PRO  79          2HD       PRO  79 -15.610   8.198  14.062
  642   2HD   PRO  79          1HD       PRO  79 -16.708   7.989  12.684
  643    H    VAL  80           H        VAL  80 -11.495   7.961  10.357
  644    HA   VAL  80           HA       VAL  80  -9.933   6.809  12.575
  645    HB   VAL  80           HB       VAL  80  -9.348   6.546   9.625
  646   1HG1  VAL  80          1HG1      VAL  80  -8.189   5.141  12.030
  647   2HG1  VAL  80          2HG1      VAL  80  -7.380   6.363  11.047
  648   3HG1  VAL  80          3HG1      VAL  80  -7.791   4.798  10.347
  649   1HG2  VAL  80          1HG2      VAL  80 -10.174   4.166  11.138
  650   2HG2  VAL  80          2HG2      VAL  80 -10.583   4.669   9.497
  651   3HG2  VAL  80          3HG2      VAL  80 -11.445   5.359  10.872
  652    H    VAL  81           H        VAL  81 -10.176   9.414  10.322
  653    HA   VAL  81           HA       VAL  81  -7.829  10.658  11.529
  654    HB   VAL  81           HB       VAL  81  -7.018  11.436   9.306
  655   1HG1  VAL  81          1HG1      VAL  81  -6.046   9.202   8.634
  656   2HG1  VAL  81          2HG1      VAL  81  -7.037   8.489   9.906
  657   3HG1  VAL  81          3HG1      VAL  81  -5.800   9.678  10.313
  658   1HG2  VAL  81          1HG2      VAL  81  -7.962  10.852   7.340
  659   2HG2  VAL  81          2HG2      VAL  81  -9.400  10.626   8.336
  660   3HG2  VAL  81          3HG2      VAL  81  -8.398   9.241   7.906
  661    H    SER  82           H        SER  82  -7.789  12.952  11.329
  662    HA   SER  82           HA       SER  82 -10.402  14.124  11.296
  663   1HB   SER  82          2HB       SER  82  -9.233  16.215  11.860
  664   2HB   SER  82          1HB       SER  82  -8.689  14.886  12.883
  665    HG   SER  82           HG       SER  82  -7.256  16.432  11.224
  666    H    ALA  83           H        ALA  83 -11.187  15.730   9.907
  667    HA   ALA  83           HA       ALA  83 -10.710  15.363   7.182
  668   1HB   ALA  83          1HB       ALA  83 -12.241  17.291   8.814
  669   2HB   ALA  83          2HB       ALA  83 -12.756  16.289   7.458
  670   3HB   ALA  83          3HB       ALA  83 -11.861  17.780   7.164
  671    H    GLN  84           H        GLN  84  -9.529  17.873   9.390
  672    HA   GLN  84           HA       GLN  84  -8.261  19.526   7.559
  673   1HB   GLN  84          2HB       GLN  84  -8.284  19.176  10.402
  674   2HB   GLN  84          1HB       GLN  84  -6.626  19.424   9.874
  675   1HG   GLN  84          2HG       GLN  84  -6.969  21.581   9.465
  676   2HG   GLN  84          1HG       GLN  84  -8.482  21.269   8.616
  677   1HE2  GLN  84          1HE2      GLN  84  -7.006  22.211  11.564
  678   2HE2  GLN  84          2HE2      GLN  84  -8.456  22.531  12.449
  679    H    ALA  85           H        ALA  85  -7.098  16.565   9.090
  680    HA   ALA  85           HA       ALA  85  -4.446  16.724   8.093
  681   1HB   ALA  85          1HB       ALA  85  -5.612  14.058   8.625
  682   2HB   ALA  85          2HB       ALA  85  -5.602  15.206   9.963
  683   3HB   ALA  85          3HB       ALA  85  -4.090  14.762   9.170
  684    H    VAL  86           H        VAL  86  -7.357  15.040   6.958
  685    HA   VAL  86           HA       VAL  86  -6.186  13.715   4.782
  686    HB   VAL  86           HB       VAL  86  -9.029  14.721   4.897
  687   1HG1  VAL  86          1HG1      VAL  86  -8.693  13.883   2.761
  688   2HG1  VAL  86          2HG1      VAL  86  -9.327  12.485   3.632
  689   3HG1  VAL  86          3HG1      VAL  86  -7.596  12.620   3.319
  690   1HG2  VAL  86          1HG2      VAL  86  -9.212  12.166   5.723
  691   2HG2  VAL  86          2HG2      VAL  86  -9.097  13.540   6.823
  692   3HG2  VAL  86          3HG2      VAL  86  -7.656  12.604   6.427
  693    H    VAL  87           H        VAL  87  -7.835  16.862   4.955
  694    HA   VAL  87           HA       VAL  87  -7.655  17.502   2.231
  695    HB   VAL  87           HB       VAL  87  -7.623  19.459   4.533
  696   1HG1  VAL  87          1HG1      VAL  87  -7.121  20.258   2.167
  697   2HG1  VAL  87          2HG1      VAL  87  -8.427  21.071   3.026
  698   3HG1  VAL  87          3HG1      VAL  87  -8.799  19.861   1.798
  699   1HG2  VAL  87          1HG2      VAL  87  -9.525  17.548   4.144
  700   2HG2  VAL  87          2HG2      VAL  87 -10.176  18.892   3.206
  701   3HG2  VAL  87          3HG2      VAL  87  -9.808  19.107   4.918
  702    H    ALA  88           H        ALA  88  -5.371  17.877   4.869
  703    HA   ALA  88           HA       ALA  88  -3.531  19.432   3.258
  704   1HB   ALA  88          1HB       ALA  88  -2.062  19.238   5.289
  705   2HB   ALA  88          2HB       ALA  88  -3.379  18.357   6.064
  706   3HB   ALA  88          3HB       ALA  88  -3.617  20.028   5.552
  707    H    GLY  89           H        GLY  89  -4.198  16.133   3.736
  708   1HA   GLY  89          2HA       GLY  89  -3.120  14.217   3.083
  709   2HA   GLY  89          1HA       GLY  89  -2.252  15.242   1.949
  710    H    SER  90           H        SER  90  -2.146  15.506   5.460
  711    HA   SER  90           HA       SER  90   0.734  14.935   5.333
  712   1HB   SER  90          2HB       SER  90  -0.948  16.713   7.030
  713   2HB   SER  90          1HB       SER  90   0.490  16.005   7.767
  714    HG   SER  90           HG       SER  90   1.696  16.887   6.012
  715    H    ASP  91           H        ASP  91  -1.160  12.803   5.344
  716    HA   ASP  91           HA       ASP  91  -0.130  11.297   7.554
  717   1HB   ASP  91          2HB       ASP  91  -2.891  12.374   7.630
  718   2HB   ASP  91          1HB       ASP  91  -2.705  10.681   8.075
  719    HA   PRO  92           HA       PRO  92  -1.141   9.157   3.439
  720   1HB   PRO  92          2HB       PRO  92   1.518   8.028   4.172
  721   2HB   PRO  92          1HB       PRO  92   0.904   8.526   2.592
  722   1HG   PRO  92          2HG       PRO  92   2.650  10.044   3.907
  723   2HG   PRO  92          1HG       PRO  92   1.316  10.773   2.992
  724   1HD   PRO  92          2HD       PRO  92   1.623  10.416   5.940
  725   2HD   PRO  92          1HD       PRO  92   0.878  11.748   5.035
  726    H    LEU  93           H        LEU  93   0.398   7.933   6.406
  727    HA   LEU  93           HA       LEU  93  -0.324   5.250   6.138
  728   1HB   LEU  93          2HB       LEU  93   0.997   6.801   8.024
  729   2HB   LEU  93          1HB       LEU  93  -0.391   6.177   8.896
  730    HG   LEU  93           HG       LEU  93   1.540   4.730   9.197
  731   1HD1  LEU  93          1HD1      LEU  93  -0.958   3.917   8.708
  732   2HD1  LEU  93          2HD1      LEU  93   0.361   2.803   9.072
  733   3HD1  LEU  93          3HD1      LEU  93  -0.125   3.079   7.398
  734   1HD2  LEU  93          1HD2      LEU  93   1.651   4.942   6.249
  735   2HD2  LEU  93          2HD2      LEU  93   2.045   3.370   6.949
  736   3HD2  LEU  93          3HD2      LEU  93   2.955   4.802   7.430
  737    H    GLY  94           H        GLY  94  -2.068   7.961   7.604
  738   1HA   GLY  94          2HA       GLY  94  -4.224   6.461   8.637
  739   2HA   GLY  94          1HA       GLY  94  -4.255   8.179   8.268
  740    H    LEU  95           H        LEU  95  -3.670   7.924   5.479
  741    HA   LEU  95           HA       LEU  95  -6.265   7.633   4.454
  742   1HB   LEU  95          2HB       LEU  95  -3.555   8.028   3.322
  743   2HB   LEU  95          1HB       LEU  95  -4.770   7.395   2.228
  744    HG   LEU  95           HG       LEU  95  -4.655   9.797   2.011
  745   1HD1  LEU  95          1HD1      LEU  95  -6.901  10.182   1.972
  746   2HD1  LEU  95          2HD1      LEU  95  -7.165   9.474   3.566
  747   3HD1  LEU  95          3HD1      LEU  95  -6.911   8.429   2.168
  748   1HD2  LEU  95          1HD2      LEU  95  -5.582  11.033   4.178
  749   2HD2  LEU  95          2HD2      LEU  95  -3.860  10.770   3.902
  750   3HD2  LEU  95          3HD2      LEU  95  -4.758   9.690   4.969
  751    H    ILE  96           H        ILE  96  -3.481   5.443   4.426
  752    HA   ILE  96           HA       ILE  96  -4.639   3.440   2.816
  753    HB   ILE  96           HB       ILE  96  -2.574   3.028   4.980
  754   1HG1  ILE  96          2HG1      ILE  96  -1.836   4.818   3.513
  755   2HG1  ILE  96          1HG1      ILE  96  -0.909   3.362   3.170
  756   1HG2  ILE  96          1HG2      ILE  96  -3.756   1.047   3.848
  757   2HG2  ILE  96          2HG2      ILE  96  -1.993   1.043   3.902
  758   3HG2  ILE  96          3HG2      ILE  96  -2.827   1.495   2.416
  759   1HD1  ILE  96          1HD1      ILE  96  -1.499   4.462   1.117
  760   2HD1  ILE  96          2HD1      ILE  96  -3.205   4.448   1.561
  761   3HD1  ILE  96          3HD1      ILE  96  -2.366   2.932   1.233
  762    H    ALA  97           H        ALA  97  -4.586   3.930   6.322
  763    HA   ALA  97           HA       ALA  97  -5.855   1.500   7.007
  764   1HB   ALA  97          1HB       ALA  97  -6.313   3.825   8.765
  765   2HB   ALA  97          2HB       ALA  97  -4.627   3.424   8.431
  766   3HB   ALA  97          3HB       ALA  97  -5.698   2.217   9.143
  767    H    TYR  98           H        TYR  98  -7.080   4.702   6.197
  768    HA   TYR  98           HA       TYR  98  -9.764   4.275   6.937
  769   1HB   TYR  98          2HB       TYR  98  -8.501   6.466   6.260
  770   2HB   TYR  98          1HB       TYR  98  -9.018   6.044   4.632
  771    HD1  TYR  98           1HD      TYR  98 -11.408   6.018   4.055
  772    HD2  TYR  98           2HD      TYR  98 -10.073   7.250   7.902
  773    HE1  TYR  98           1HE      TYR  98 -13.602   7.047   4.481
  774    HE2  TYR  98           2HE      TYR  98 -12.263   8.281   8.338
  775    HH   TYR  98           HH       TYR  98 -14.986   7.706   6.392
  776    H    LEU  99           H        LEU  99  -8.111   3.926   3.810
  777    HA   LEU  99           HA       LEU  99 -10.324   3.152   2.295
  778   1HB   LEU  99          2HB       LEU  99  -7.402   3.004   2.037
  779   2HB   LEU  99          1HB       LEU  99  -8.264   1.768   1.141
  780    HG   LEU  99           HG       LEU  99  -9.266   4.531   0.820
  781   1HD1  LEU  99          1HD1      LEU  99  -7.399   4.651  -1.060
  782   2HD1  LEU  99          2HD1      LEU  99  -6.502   3.710   0.132
  783   3HD1  LEU  99          3HD1      LEU  99  -7.142   5.296   0.561
  784   1HD2  LEU  99          1HD2      LEU  99 -10.040   3.740  -1.147
  785   2HD2  LEU  99          2HD2      LEU  99  -9.823   2.179  -0.356
  786   3HD2  LEU  99          3HD2      LEU  99  -8.588   2.789  -1.460
  787    H    SER 100           H        SER 100  -8.132   1.248   4.300
  788    HA   SER 100           HA       SER 100  -9.003  -1.305   3.536
  789   1HB   SER 100          2HB       SER 100  -7.656  -0.197   5.974
  790   2HB   SER 100          1HB       SER 100  -8.224  -1.866   5.978
  791    HG   SER 100           HG       SER 100  -6.791  -2.382   4.452
  792    H    HIS 101           H        HIS 101 -10.201   0.930   5.995
  793    HA   HIS 101           HA       HIS 101 -12.091  -0.855   7.130
  794   1HB   HIS 101          2HB       HIS 101 -11.123   1.490   7.943
  795   2HB   HIS 101          1HB       HIS 101 -12.590   2.083   7.172
  796    HD1  HIS 101           1HD      HIS 101 -14.132  -0.674   8.117
  797    HD2  HIS 101           2HD      HIS 101 -12.228   2.181  10.460
  798    HE1  HIS 101           1HE      HIS 101 -15.164  -0.883  10.400
  799    HE2  HIS 101           2HE      HIS 101 -14.057   0.912  11.779
  800    H    PHE 102           H        PHE 102 -12.348   1.684   4.666
  801    HA   PHE 102           HA       PHE 102 -15.131   1.398   4.248
  802   1HB   PHE 102          2HB       PHE 102 -12.901   2.828   2.970
  803   2HB   PHE 102          1HB       PHE 102 -14.196   2.377   1.866
  804    HD1  PHE 102           1HD      PHE 102 -15.757   4.001   1.498
  805    HD2  PHE 102           2HD      PHE 102 -13.923   3.750   5.330
  806    HE1  PHE 102           1HE      PHE 102 -17.077   5.937   2.253
  807    HE2  PHE 102           2HE      PHE 102 -15.241   5.684   6.092
  808    HZ   PHE 102           HZ       PHE 102 -16.820   6.780   4.552
  809    H    HIS 103           H        HIS 103 -12.303  -0.095   2.774
  810    HA   HIS 103           HA       HIS 103 -13.565  -1.357   0.618
  811   1HB   HIS 103          2HB       HIS 103 -11.022  -1.145   1.295
  812   2HB   HIS 103          1HB       HIS 103 -11.311  -2.712   2.042
  813    HD1  HIS 103           1HD      HIS 103 -10.000  -1.432  -0.924
  814    HD2  HIS 103           2HD      HIS 103 -12.761  -4.429  -0.109
  815    HE1  HIS 103           1HE      HIS 103 -10.033  -2.891  -2.972
  816    HE2  HIS 103           2HE      HIS 103 -11.775  -4.647  -2.490
  817    H    SER 104           H        SER 104 -13.085  -2.410   3.961
  818    HA   SER 104           HA       SER 104 -14.016  -5.031   3.709
  819   1HB   SER 104          2HB       SER 104 -13.706  -3.097   5.943
  820   2HB   SER 104          1HB       SER 104 -14.774  -4.471   6.227
  821    HG   SER 104           HG       SER 104 -13.096  -5.731   6.323
  822    H    ALA 105           H        ALA 105 -15.779  -2.032   4.383
  823    HA   ALA 105           HA       ALA 105 -18.316  -3.320   4.643
  824   1HB   ALA 105          1HB       ALA 105 -18.143  -1.279   5.771
  825   2HB   ALA 105          2HB       ALA 105 -19.158  -0.915   4.376
  826   3HB   ALA 105          3HB       ALA 105 -17.454  -0.459   4.371
  827    H    PHE 106           H        PHE 106 -16.632  -1.629   2.037
  828    HA   PHE 106           HA       PHE 106 -18.776  -1.619   0.202
  829   1HB   PHE 106          2HB       PHE 106 -15.798  -1.336  -0.051
  830   2HB   PHE 106          1HB       PHE 106 -16.804  -1.441  -1.492
  831    HD1  PHE 106           1HD      PHE 106 -17.469   0.266   1.748
  832    HD2  PHE 106           2HD      PHE 106 -16.746   0.669  -2.423
  833    HE1  PHE 106           1HE      PHE 106 -17.940   2.676   1.904
  834    HE2  PHE 106           2HE      PHE 106 -17.214   3.081  -2.277
  835    HZ   PHE 106           HZ       PHE 106 -17.814   4.087  -0.110
  836    H    LYS 107           H        LYS 107 -16.368  -4.008   1.040
  837    HA   LYS 107           HA       LYS 107 -16.697  -5.679  -1.222
  838   1HB   LYS 107          2HB       LYS 107 -15.112  -5.662   1.108
  839   2HB   LYS 107          1HB       LYS 107 -15.992  -7.184   1.131
  840   1HG   LYS 107          2HG       LYS 107 -14.408  -6.210  -1.234
  841   2HG   LYS 107          1HG       LYS 107 -13.760  -7.268   0.022
  842   1HD   LYS 107          2HD       LYS 107 -16.082  -8.542  -0.655
  843   2HD   LYS 107          1HD       LYS 107 -15.568  -7.869  -2.204
  844   1HE   LYS 107          2HE       LYS 107 -13.225  -8.864  -1.272
  845   2HE   LYS 107          1HE       LYS 107 -14.373 -10.006  -0.572
  846   1HZ   LYS 107          1HZ       LYS 107 -14.039  -9.337  -3.444
  847   2HZ   LYS 107          2HZ       LYS 107 -15.307 -10.280  -2.842
  848   3HZ   LYS 107          3HZ       LYS 107 -13.710 -10.817  -2.693
  849    H    SER 108           H        SER 108 -18.313  -5.491   1.900
  850    HA   SER 108           HA       SER 108 -20.024  -7.756   1.179
  851   1HB   SER 108          2HB       SER 108 -19.240  -6.449   3.726
  852   2HB   SER 108          1HB       SER 108 -20.880  -7.097   3.646
  853    HG   SER 108           HG       SER 108 -18.508  -8.407   3.850
  854    H    MET 109           H        MET 109 -20.248  -5.194  -0.169
  855    HA   MET 109           HA       MET 109 -23.039  -4.916  -0.185
  856   1HB   MET 109          2HB       MET 109 -21.631  -3.285   1.775
  857   2HB   MET 109          1HB       MET 109 -22.548  -2.305   0.638
  858   1HG   MET 109          2HG       MET 109 -24.531  -2.984   1.443
  859   2HG   MET 109          1HG       MET 109 -23.970  -4.629   1.737
  860   1HE   MET 109          1HE       MET 109 -25.630  -2.051   3.906
  861   2HE   MET 109          2HE       MET 109 -24.535  -1.181   2.832
  862   3HE   MET 109          3HE       MET 109 -24.269  -1.153   4.575
  Start of MODEL   17
    1   1H    MET  -8          1HT       MET  -8  -4.059 -17.170  11.117
    2   2H    MET  -8          2HT       MET  -8  -5.043 -17.442   9.738
    3   3H    MET  -8          3HT       MET  -8  -4.268 -15.927   9.955
    4    HA   MET  -8           HA       MET  -8  -2.129 -17.173   9.905
    5   1HB   MET  -8          2HB       MET  -8  -4.146 -19.270   9.305
    6   2HB   MET  -8          1HB       MET  -8  -2.674 -19.300   8.343
    7   1HG   MET  -8          2HG       MET  -8  -1.523 -20.204  10.001
    8   2HG   MET  -8          1HG       MET  -8  -2.045 -18.952  11.125
    9   1HE   MET  -8          1HE       MET  -8  -4.678 -19.002  11.980
   10   2HE   MET  -8          2HE       MET  -8  -3.485 -19.491  13.186
   11   3HE   MET  -8          3HE       MET  -8  -4.977 -20.412  12.996
   12    H    GLY  -7           H        GLY  -7  -1.912 -15.287   8.643
   13   1HA   GLY  -7          2HA       GLY  -7  -1.466 -15.567   5.962
   14   2HA   GLY  -7          1HA       GLY  -7  -3.151 -15.076   6.059
   15    H    HIS  -6           H        HIS  -6  -0.031 -14.140   7.516
   16    HA   HIS  -6           HA       HIS  -6  -0.879 -11.358   7.533
   17   1HB   HIS  -6          2HB       HIS  -6   1.204 -12.953   8.877
   18   2HB   HIS  -6          1HB       HIS  -6   1.691 -11.317   8.444
   19    HD1  HIS  -6           1HD      HIS  -6  -1.871 -11.655   9.275
   20    HD2  HIS  -6           2HD      HIS  -6   1.672 -10.839  11.288
   21    HE1  HIS  -6           1HE      HIS  -6  -2.564 -10.694  11.494
   22    HE2  HIS  -6           2HE      HIS  -6  -0.403 -10.131  12.660
   23    H    HIS  -5           H        HIS  -5   1.292  -9.896   7.089
   24    HA   HIS  -5           HA       HIS  -5   2.476 -10.714   4.545
   25   1HB   HIS  -5          2HB       HIS  -5   0.998  -8.098   4.916
   26   2HB   HIS  -5          1HB       HIS  -5   1.906  -8.571   3.483
   27    HD1  HIS  -5           1HD      HIS  -5  -1.401  -8.212   4.358
   28    HD2  HIS  -5           2HD      HIS  -5   0.710 -11.396   2.727
   29    HE1  HIS  -5           1HE      HIS  -5  -3.127  -9.657   3.236
   30    HE2  HIS  -5           2HE      HIS  -5  -1.837 -11.623   2.331
   31    H    HIS  -4           H        HIS  -4   4.588 -10.520   4.836
   32    HA   HIS  -4           HA       HIS  -4   5.768  -8.955   6.872
   33   1HB   HIS  -4          2HB       HIS  -4   7.910  -9.580   5.827
   34   2HB   HIS  -4          1HB       HIS  -4   6.846 -10.970   6.014
   35    HD1  HIS  -4           1HD      HIS  -4   5.703 -11.865   3.797
   36    HD2  HIS  -4           2HD      HIS  -4   8.683  -9.024   3.247
   37    HE1  HIS  -4           1HE      HIS  -4   6.319 -12.002   1.364
   38    HE2  HIS  -4           2HE      HIS  -4   8.187 -10.336   1.073
   39    H    HIS  -3           H        HIS  -3   6.730  -6.978   6.849
   40    HA   HIS  -3           HA       HIS  -3   6.423  -5.405   4.377
   41   1HB   HIS  -3          2HB       HIS  -3   6.383  -3.415   5.931
   42   2HB   HIS  -3          1HB       HIS  -3   4.998  -4.494   6.064
   43    HD1  HIS  -3           1HD      HIS  -3   4.566  -5.548   8.312
   44    HD2  HIS  -3           2HD      HIS  -3   8.237  -3.609   8.121
   45    HE1  HIS  -3           1HE      HIS  -3   5.434  -5.517  10.672
   46    HE2  HIS  -3           2HE      HIS  -3   7.619  -4.269  10.543
   47    H    HIS  -2           H        HIS  -2   8.663  -6.909   4.504
   48    HA   HIS  -2           HA       HIS  -2  10.825  -5.299   5.598
   49   1HB   HIS  -2          2HB       HIS  -2  10.506  -8.067   4.661
   50   2HB   HIS  -2          1HB       HIS  -2  12.040  -7.330   4.214
   51    HD1  HIS  -2           1HD      HIS  -2  10.412  -9.062   6.929
   52    HD2  HIS  -2           2HD      HIS  -2  13.445  -6.243   6.588
   53    HE1  HIS  -2           1HE      HIS  -2  11.655  -9.145   9.112
   54    HE2  HIS  -2           2HE      HIS  -2  13.545  -7.499   8.846
   55    H    HIS  -1           H        HIS  -1   9.821  -6.555   2.422
   56    HA   HIS  -1           HA       HIS  -1  10.558  -4.168   1.077
   57   1HB   HIS  -1          2HB       HIS  -1  12.419  -5.031  -0.258
   58   2HB   HIS  -1          1HB       HIS  -1  12.822  -5.048   1.455
   59    HD1  HIS  -1           1HD      HIS  -1  10.715  -7.834   1.143
   60    HD2  HIS  -1           2HD      HIS  -1  14.629  -7.066  -0.025
   61    HE1  HIS  -1           1HE      HIS  -1  11.778 -10.090   0.829
   62    HE2  HIS  -1           2HE      HIS  -1  14.123  -9.600   0.050
   63    H    MET   0           H        MET   0   8.311  -5.949   1.269
   64    HA   MET   0           HA       MET   0   7.529  -6.051  -1.422
   65   1HB   MET   0          2HB       MET   0   9.193  -8.121  -0.944
   66   2HB   MET   0          1HB       MET   0   7.665  -8.852  -0.475
   67   1HG   MET   0          2HG       MET   0   7.471  -7.429  -2.992
   68   2HG   MET   0          1HG       MET   0   8.705  -8.688  -3.025
   69   1HE   MET   0          1HE       MET   0   6.156  -9.131  -5.053
   70   2HE   MET   0          2HE       MET   0   6.187 -10.865  -4.736
   71   3HE   MET   0          3HE       MET   0   7.694  -9.950  -4.790
   72    H    GLY   1           H        GLY   1   5.473  -5.499  -1.145
   73   1HA   GLY   1          2HA       GLY   1   3.249  -6.415  -0.640
   74   2HA   GLY   1          1HA       GLY   1   3.909  -6.960   0.893
   75    H    SER   2           H        SER   2   5.050  -3.898  -0.030
   76    HA   SER   2           HA       SER   2   3.009  -2.575   1.631
   77   1HB   SER   2          2HB       SER   2   6.008  -2.251   1.674
   78   2HB   SER   2          1HB       SER   2   4.926  -1.018   2.323
   79    HG   SER   2           HG       SER   2   4.153  -2.510   3.799
   80    H    ALA   3           H        ALA   3   5.451  -2.166  -0.902
   81    HA   ALA   3           HA       ALA   3   4.330   0.387  -1.702
   82   1HB   ALA   3          1HB       ALA   3   6.125   0.410  -3.369
   83   2HB   ALA   3          2HB       ALA   3   6.580  -1.228  -2.899
   84   3HB   ALA   3          3HB       ALA   3   6.746   0.098  -1.749
   85    H    GLY   4           H        GLY   4   4.230  -2.958  -2.681
   86   1HA   GLY   4          2HA       GLY   4   3.133  -2.452  -5.288
   87   2HA   GLY   4          1HA       GLY   4   3.227  -4.010  -4.479
   88    H    THR   5           H        THR   5   1.830  -2.893  -2.090
   89    HA   THR   5           HA       THR   5  -0.806  -3.595  -2.849
   90    HB   THR   5           HB       THR   5  -1.197  -2.430  -0.454
   91    HG1  THR   5           1HG      THR   5   0.902  -1.651  -0.264
   92   1HG2  THR   5          1HG2      THR   5  -1.669  -4.591  -0.198
   93   2HG2  THR   5          2HG2      THR   5  -0.015  -4.721   0.401
   94   3HG2  THR   5          3HG2      THR   5  -0.375  -5.105  -1.281
   95    H    GLN   6           H        GLN   6   0.873  -0.554  -2.494
   96    HA   GLN   6           HA       GLN   6  -1.358   1.158  -2.416
   97   1HB   GLN   6          2HB       GLN   6   1.416   1.443  -2.369
   98   2HB   GLN   6          1HB       GLN   6   0.912   2.312  -3.812
   99   1HG   GLN   6          2HG       GLN   6  -0.477   3.759  -2.571
  100   2HG   GLN   6          1HG       GLN   6  -0.359   2.753  -1.128
  101   1HE2  GLN   6          1HE2      GLN   6   2.210   2.315  -0.756
  102   2HE2  GLN   6          2HE2      GLN   6   3.097   3.785  -0.566
  103    H    GLU   7           H        GLU   7   0.336  -0.378  -5.072
  104    HA   GLU   7           HA       GLU   7  -0.771   1.192  -7.154
  105   1HB   GLU   7          2HB       GLU   7   1.151  -0.764  -6.989
  106   2HB   GLU   7          1HB       GLU   7  -0.144  -1.586  -7.850
  107   1HG   GLU   7          2HG       GLU   7   0.736  -0.675  -9.678
  108   2HG   GLU   7          1HG       GLU   7  -0.037   0.817  -9.141
  109    H    GLU   8           H        GLU   8  -1.707  -1.960  -5.795
  110    HA   GLU   8           HA       GLU   8  -3.958  -2.257  -7.521
  111   1HB   GLU   8          2HB       GLU   8  -4.516  -4.189  -6.198
  112   2HB   GLU   8          1HB       GLU   8  -2.777  -4.166  -6.449
  113   1HG   GLU   8          2HG       GLU   8  -2.494  -3.209  -4.198
  114   2HG   GLU   8          1HG       GLU   8  -4.234  -3.336  -3.952
  115    H    LEU   9           H        LEU   9  -3.431  -0.850  -4.370
  116    HA   LEU   9           HA       LEU   9  -6.168  -0.672  -3.615
  117   1HB   LEU   9          2HB       LEU   9  -3.998  -0.457  -2.185
  118   2HB   LEU   9          1HB       LEU   9  -4.067   1.233  -2.648
  119    HG   LEU   9           HG       LEU   9  -6.334   1.383  -1.650
  120   1HD1  LEU   9          1HD1      LEU   9  -5.748  -1.447  -0.801
  121   2HD1  LEU   9          2HD1      LEU   9  -7.061  -0.896  -1.842
  122   3HD1  LEU   9          3HD1      LEU   9  -7.041  -0.449  -0.136
  123   1HD2  LEU   9          1HD2      LEU   9  -4.192   0.372   0.218
  124   2HD2  LEU   9          2HD2      LEU   9  -5.594   1.339   0.671
  125   3HD2  LEU   9          3HD2      LEU   9  -4.350   2.027  -0.372
  126    H    LEU  10           H        LEU  10  -3.889   1.636  -5.068
  127    HA   LEU  10           HA       LEU  10  -5.675   3.807  -5.210
  128   1HB   LEU  10          2HB       LEU  10  -3.055   3.564  -5.629
  129   2HB   LEU  10          1HB       LEU  10  -3.582   3.483  -7.299
  130    HG   LEU  10           HG       LEU  10  -2.951   5.759  -6.670
  131   1HD1  LEU  10          1HD1      LEU  10  -5.095   5.036  -8.119
  132   2HD1  LEU  10          2HD1      LEU  10  -4.588   6.710  -7.894
  133   3HD1  LEU  10          3HD1      LEU  10  -5.876   6.036  -6.895
  134   1HD2  LEU  10          1HD2      LEU  10  -3.700   6.859  -4.847
  135   2HD2  LEU  10          2HD2      LEU  10  -3.959   5.226  -4.235
  136   3HD2  LEU  10          3HD2      LEU  10  -5.303   6.130  -4.930
  137    H    ARG  11           H        ARG  11  -5.036   1.123  -7.389
  138    HA   ARG  11           HA       ARG  11  -6.476   2.113  -9.611
  139   1HB   ARG  11          2HB       ARG  11  -5.724  -0.682  -8.763
  140   2HB   ARG  11          1HB       ARG  11  -6.567  -0.340 -10.268
  141   1HG   ARG  11          2HG       ARG  11  -4.288   1.366 -10.069
  142   2HG   ARG  11          1HG       ARG  11  -3.797  -0.302  -9.772
  143   1HD   ARG  11          2HD       ARG  11  -4.073  -0.865 -11.914
  144   2HD   ARG  11          1HD       ARG  11  -5.649  -0.079 -11.997
  145    HE   ARG  11           HE       ARG  11  -3.120   1.006 -12.832
  146   1HH1  ARG  11          1HH1      ARG  11  -6.365   1.769 -11.799
  147   2HH1  ARG  11          2HH1      ARG  11  -6.375   3.324 -12.561
  148   1HH2  ARG  11          1HH2      ARG  11  -3.132   3.052 -13.833
  149   2HH2  ARG  11          2HH2      ARG  11  -4.540   4.052 -13.716
  150    H    TRP  12           H        TRP  12  -7.407   0.097  -6.862
  151    HA   TRP  12           HA       TRP  12 -10.033  -0.458  -7.759
  152   1HB   TRP  12          2HB       TRP  12  -8.872  -1.791  -6.031
  153   2HB   TRP  12          1HB       TRP  12  -8.966  -0.420  -4.929
  154    HD1  TRP  12           HD       TRP  12 -11.007  -3.293  -6.299
  155    HE1  TRP  12           1HE      TRP  12 -13.275  -3.376  -5.088
  156    HE3  TRP  12           3HE      TRP  12 -10.755   1.158  -3.797
  157    HZ2  TRP  12           2HZ      TRP  12 -14.763  -1.768  -3.308
  158    HZ3  TRP  12           3HZ      TRP  12 -12.642   1.812  -2.361
  159    HH2  TRP  12           HH       TRP  12 -14.605   0.379  -2.122
  160    H    CYS  13           H        CYS  13  -8.642   2.127  -5.814
  161    HA   CYS  13           HA       CYS  13 -11.112   3.250  -4.979
  162   1HB   CYS  13          2HB       CYS  13  -8.287   4.272  -5.097
  163   2HB   CYS  13          1HB       CYS  13  -9.613   5.335  -4.636
  164    HG   CYS  13           HG       CYS  13  -9.626   2.871  -2.917
  165    H    GLN  14           H        GLN  14  -8.892   4.016  -7.643
  166    HA   GLN  14           HA       GLN  14 -10.320   6.226  -8.634
  167   1HB   GLN  14          2HB       GLN  14  -7.968   5.636  -9.228
  168   2HB   GLN  14          1HB       GLN  14  -8.590   4.318 -10.212
  169   1HG   GLN  14          2HG       GLN  14  -9.794   6.905 -10.819
  170   2HG   GLN  14          1HG       GLN  14  -8.053   6.845 -11.090
  171   1HE2  GLN  14          1HE2      GLN  14  -7.243   5.121 -12.459
  172   2HE2  GLN  14          2HE2      GLN  14  -8.232   4.531 -13.747
  173    H    GLU  15           H        GLU  15 -10.538   2.775  -9.326
  174    HA   GLU  15           HA       GLU  15 -12.346   2.984 -11.491
  175   1HB   GLU  15          2HB       GLU  15 -10.919   0.970 -10.756
  176   2HB   GLU  15          1HB       GLU  15 -12.218   0.631  -9.621
  177   1HG   GLU  15          2HG       GLU  15 -13.101   1.083 -12.375
  178   2HG   GLU  15          1HG       GLU  15 -12.066  -0.327 -12.155
  179    H    GLN  16           H        GLN  16 -12.828   2.434  -8.021
  180    HA   GLN  16           HA       GLN  16 -15.656   2.225  -8.179
  181   1HB   GLN  16          2HB       GLN  16 -13.656   2.539  -5.989
  182   2HB   GLN  16          1HB       GLN  16 -15.340   2.889  -5.626
  183   1HG   GLN  16          2HG       GLN  16 -14.462   0.312  -6.889
  184   2HG   GLN  16          1HG       GLN  16 -14.532   0.547  -5.143
  185   1HE2  GLN  16          1HE2      GLN  16 -16.055  -1.271  -5.338
  186   2HE2  GLN  16          2HE2      GLN  16 -17.717  -0.916  -5.652
  187    H    THR  17           H        THR  17 -13.438   4.903  -7.818
  188    HA   THR  17           HA       THR  17 -15.577   6.771  -7.209
  189    HB   THR  17           HB       THR  17 -12.689   7.430  -7.770
  190    HG1  THR  17           1HG      THR  17 -13.876   6.714  -5.296
  191   1HG2  THR  17          1HG2      THR  17 -14.059   9.386  -7.661
  192   2HG2  THR  17          2HG2      THR  17 -13.113   9.272  -6.177
  193   3HG2  THR  17          3HG2      THR  17 -14.819   8.825  -6.173
  194    H    ALA  18           H        ALA  18 -14.818   5.291  -9.943
  195    HA   ALA  18           HA       ALA  18 -14.635   7.573 -11.716
  196   1HB   ALA  18          1HB       ALA  18 -14.159   6.088 -13.391
  197   2HB   ALA  18          2HB       ALA  18 -15.203   4.833 -12.726
  198   3HB   ALA  18          3HB       ALA  18 -13.631   5.153 -11.992
  199    H    GLY  19           H        GLY  19 -16.311   8.632 -12.553
  200   1HA   GLY  19          2HA       GLY  19 -18.551   7.831 -13.745
  201   2HA   GLY  19          1HA       GLY  19 -19.000   7.627 -12.060
  202    H    TYR  20           H        TYR  20 -17.493   9.920 -11.120
  203    HA   TYR  20           HA       TYR  20 -19.470  11.931 -11.657
  204   1HB   TYR  20          2HB       TYR  20 -16.926  12.184 -10.042
  205   2HB   TYR  20          1HB       TYR  20 -18.328  13.249  -9.976
  206    HD1  TYR  20           1HD      TYR  20 -20.214  12.711  -8.633
  207    HD2  TYR  20           2HD      TYR  20 -17.110   9.855  -9.174
  208    HE1  TYR  20           1HE      TYR  20 -21.184  11.326  -6.847
  209    HE2  TYR  20           2HE      TYR  20 -18.070   8.462  -7.391
  210    HH   TYR  20           HH       TYR  20 -20.511   8.193  -6.381
  211    HA   PRO  21           HA       PRO  21 -17.237  13.934 -14.930
  212   1HB   PRO  21          2HB       PRO  21 -18.644  16.221 -15.083
  213   2HB   PRO  21          1HB       PRO  21 -19.323  14.670 -15.593
  214   1HG   PRO  21          2HG       PRO  21 -19.733  16.168 -13.033
  215   2HG   PRO  21          1HG       PRO  21 -20.926  15.326 -14.039
  216   1HD   PRO  21          2HD       PRO  21 -19.833  14.250 -11.778
  217   2HD   PRO  21          1HD       PRO  21 -20.417  13.277 -13.143
  218    H    GLY  22           H        GLY  22 -15.223  14.254 -13.878
  219   1HA   GLY  22          2HA       GLY  22 -13.788  16.309 -13.786
  220   2HA   GLY  22          1HA       GLY  22 -14.933  16.899 -12.592
  221    H    VAL  23           H        VAL  23 -14.761  13.707 -11.973
  222    HA   VAL  23           HA       VAL  23 -13.071  14.111  -9.683
  223    HB   VAL  23           HB       VAL  23 -15.077  12.708  -9.528
  224   1HG1  VAL  23          1HG1      VAL  23 -13.852  10.414 -10.902
  225   2HG1  VAL  23          2HG1      VAL  23 -14.399  11.723 -11.950
  226   3HG1  VAL  23          3HG1      VAL  23 -15.533  10.943 -10.848
  227   1HG2  VAL  23          1HG2      VAL  23 -14.162  11.384  -7.953
  228   2HG2  VAL  23          2HG2      VAL  23 -12.683  12.258  -8.348
  229   3HG2  VAL  23          3HG2      VAL  23 -12.995  10.682  -9.072
  230    H    HIS  24           H        HIS  24 -10.953  13.876  -9.650
  231    HA   HIS  24           HA       HIS  24  -9.686  12.072 -11.606
  232   1HB   HIS  24          2HB       HIS  24  -9.236  14.854 -11.108
  233   2HB   HIS  24          1HB       HIS  24  -7.785  13.962 -10.659
  234    HD1  HIS  24           1HD      HIS  24  -8.092  15.898 -13.163
  235    HD2  HIS  24           2HD      HIS  24  -8.221  11.744 -13.228
  236    HE1  HIS  24           1HE      HIS  24  -7.464  15.242 -15.508
  237    HE2  HIS  24           2HE      HIS  24  -7.452  12.723 -15.495
  238    H    VAL  25           H        VAL  25  -9.568  10.276 -10.289
  239    HA   VAL  25           HA       VAL  25  -8.250  10.549  -7.690
  240    HB   VAL  25           HB       VAL  25  -9.467   8.057  -8.880
  241   1HG1  VAL  25          1HG1      VAL  25  -9.662   7.779  -6.213
  242   2HG1  VAL  25          2HG1      VAL  25  -8.196   8.754  -6.310
  243   3HG1  VAL  25          3HG1      VAL  25  -8.284   7.208  -7.154
  244   1HG2  VAL  25          1HG2      VAL  25 -11.297   8.700  -7.112
  245   2HG2  VAL  25          2HG2      VAL  25 -11.339   9.382  -8.738
  246   3HG2  VAL  25          3HG2      VAL  25 -10.699  10.333  -7.398
  247    H    SER  26           H        SER  26  -6.128  10.939  -8.461
  248    HA   SER  26           HA       SER  26  -4.699   8.493  -9.088
  249   1HB   SER  26          2HB       SER  26  -5.144   9.326 -11.317
  250   2HB   SER  26          1HB       SER  26  -4.573  10.933 -10.873
  251    HG   SER  26           HG       SER  26  -2.996   9.682 -12.006
  252    H    ASP  27           H        ASP  27  -4.970  10.616  -6.941
  253    HA   ASP  27           HA       ASP  27  -2.095  10.966  -6.521
  254   1HB   ASP  27          2HB       ASP  27  -4.161  13.146  -6.161
  255   2HB   ASP  27          1HB       ASP  27  -2.484  13.255  -5.639
  256    H    LEU  28           H        LEU  28  -1.436  10.800  -4.398
  257    HA   LEU  28           HA       LEU  28  -3.475   9.810  -2.547
  258   1HB   LEU  28          2HB       LEU  28  -1.016   8.817  -3.216
  259   2HB   LEU  28          1HB       LEU  28  -0.661   9.666  -1.724
  260    HG   LEU  28           HG       LEU  28  -3.041   7.940  -1.605
  261   1HD1  LEU  28          1HD1      LEU  28  -1.063   6.824  -3.032
  262   2HD1  LEU  28          2HD1      LEU  28  -2.108   5.912  -1.941
  263   3HD1  LEU  28          3HD1      LEU  28  -0.512   6.435  -1.402
  264   1HD2  LEU  28          1HD2      LEU  28  -2.464   8.732   0.457
  265   2HD2  LEU  28          2HD2      LEU  28  -0.736   8.726   0.100
  266   3HD2  LEU  28          3HD2      LEU  28  -1.569   7.213   0.459
  267    H    SER  29           H        SER  29  -3.397  12.595  -2.981
  268    HA   SER  29           HA       SER  29  -3.234  13.511  -0.300
  269   1HB   SER  29          2HB       SER  29  -0.902  13.710  -0.524
  270   2HB   SER  29          1HB       SER  29  -1.020  14.270  -2.192
  271    HG   SER  29           HG       SER  29  -1.329  16.245  -1.510
  272    H    SER  30           H        SER  30  -2.500  15.335  -3.252
  273    HA   SER  30           HA       SER  30  -4.320  17.379  -2.767
  274   1HB   SER  30          2HB       SER  30  -2.509  17.667  -4.348
  275   2HB   SER  30          1HB       SER  30  -3.173  16.413  -5.395
  276    HG   SER  30           HG       SER  30  -3.788  19.036  -5.272
  277    H    SER  31           H        SER  31  -4.730  14.400  -4.626
  278    HA   SER  31           HA       SER  31  -7.170  14.921  -5.824
  279   1HB   SER  31          2HB       SER  31  -5.684  12.486  -5.049
  280   2HB   SER  31          1HB       SER  31  -7.414  12.273  -5.319
  281    HG   SER  31           HG       SER  31  -7.028  12.393  -7.369
  282    H    TRP  32           H        TRP  32  -6.475  14.210  -2.492
  283    HA   TRP  32           HA       TRP  32  -9.336  13.899  -1.915
  284   1HB   TRP  32          2HB       TRP  32  -7.020  13.484  -0.021
  285   2HB   TRP  32          1HB       TRP  32  -8.691  12.981   0.211
  286    HD1  TRP  32           HD       TRP  32  -5.815  12.236  -2.296
  287    HE1  TRP  32           1HE      TRP  32  -5.956   9.749  -2.940
  288    HE3  TRP  32           3HE      TRP  32 -10.002  10.955   0.340
  289    HZ2  TRP  32           2HZ      TRP  32  -7.624   7.535  -2.402
  290    HZ3  TRP  32           3HZ      TRP  32 -10.805   8.631   0.222
  291    HH2  TRP  32           HH       TRP  32  -9.640   6.959  -1.122
  292    H    ALA  33           H        ALA  33  -7.607  16.446  -2.410
  293    HA   ALA  33           HA       ALA  33  -7.558  17.928  -0.023
  294   1HB   ALA  33          1HB       ALA  33  -6.442  18.425  -2.291
  295   2HB   ALA  33          2HB       ALA  33  -7.028  19.779  -1.323
  296   3HB   ALA  33          3HB       ALA  33  -7.971  19.206  -2.700
  297    H    ASP  34           H        ASP  34  -9.999  17.779  -2.612
  298    HA   ASP  34           HA       ASP  34 -11.796  19.478  -1.100
  299   1HB   ASP  34          2HB       ASP  34 -13.285  19.300  -3.025
  300   2HB   ASP  34          1HB       ASP  34 -11.653  19.701  -3.551
  301    H    GLY  35           H        GLY  35 -10.971  16.393  -0.663
  302   1HA   GLY  35          2HA       GLY  35 -11.974  14.574   0.304
  303   2HA   GLY  35          1HA       GLY  35 -13.158  15.716   0.920
  304    H    LEU  36           H        LEU  36 -12.796  15.453  -2.506
  305    HA   LEU  36           HA       LEU  36 -15.511  14.671  -2.828
  306   1HB   LEU  36          2HB       LEU  36 -14.136  16.102  -4.402
  307   2HB   LEU  36          1HB       LEU  36 -13.370  14.623  -4.945
  308    HG   LEU  36           HG       LEU  36 -15.570  13.766  -5.674
  309   1HD1  LEU  36          1HD1      LEU  36 -17.126  14.826  -4.285
  310   2HD1  LEU  36          2HD1      LEU  36 -17.390  15.545  -5.874
  311   3HD1  LEU  36          3HD1      LEU  36 -16.487  16.429  -4.643
  312   1HD2  LEU  36          1HD2      LEU  36 -14.365  14.713  -7.418
  313   2HD2  LEU  36          2HD2      LEU  36 -14.499  16.343  -6.757
  314   3HD2  LEU  36          3HD2      LEU  36 -15.905  15.571  -7.490
  315    H    ALA  37           H        ALA  37 -12.467  12.967  -2.800
  316    HA   ALA  37           HA       ALA  37 -13.271  10.592  -4.064
  317   1HB   ALA  37          1HB       ALA  37 -11.193   9.891  -3.608
  318   2HB   ALA  37          2HB       ALA  37 -11.348  10.242  -1.887
  319   3HB   ALA  37          3HB       ALA  37 -10.931  11.532  -3.016
  320    H    LEU  38           H        LEU  38 -13.271  11.508  -0.628
  321    HA   LEU  38           HA       LEU  38 -14.328   9.052   0.308
  322   1HB   LEU  38          2HB       LEU  38 -13.221  11.188   1.516
  323   2HB   LEU  38          1HB       LEU  38 -14.913  11.533   1.818
  324    HG   LEU  38           HG       LEU  38 -14.837   8.954   2.602
  325   1HD1  LEU  38          1HD1      LEU  38 -12.058   9.950   2.648
  326   2HD1  LEU  38          2HD1      LEU  38 -12.676   8.301   2.530
  327   3HD1  LEU  38          3HD1      LEU  38 -12.618   9.112   4.096
  328   1HD2  LEU  38          1HD2      LEU  38 -15.754  10.291   4.176
  329   2HD2  LEU  38          2HD2      LEU  38 -14.546  11.557   3.961
  330   3HD2  LEU  38          3HD2      LEU  38 -14.162  10.128   4.921
  331    H    CYS  39           H        CYS  39 -15.824  12.176  -0.463
  332    HA   CYS  39           HA       CYS  39 -18.455  11.464   0.236
  333   1HB   CYS  39          2HB       CYS  39 -17.328  13.783  -0.428
  334   2HB   CYS  39          1HB       CYS  39 -17.991  13.375  -2.006
  335    HG   CYS  39           HG       CYS  39 -19.792  13.700   0.513
  336    H    ALA  40           H        ALA  40 -16.628  11.154  -2.761
  337    HA   ALA  40           HA       ALA  40 -18.711  10.382  -4.462
  338   1HB   ALA  40          1HB       ALA  40 -15.774   9.719  -4.495
  339   2HB   ALA  40          2HB       ALA  40 -16.615  10.966  -5.415
  340   3HB   ALA  40          3HB       ALA  40 -16.886   9.265  -5.787
  341    H    LEU  41           H        LEU  41 -16.663   8.494  -2.286
  342    HA   LEU  41           HA       LEU  41 -17.541   5.939  -3.066
  343   1HB   LEU  41          2HB       LEU  41 -16.396   6.992  -0.488
  344   2HB   LEU  41          1HB       LEU  41 -16.804   5.300  -0.706
  345    HG   LEU  41           HG       LEU  41 -15.002   6.578  -2.707
  346   1HD1  LEU  41          1HD1      LEU  41 -13.119   6.564  -1.394
  347   2HD1  LEU  41          2HD1      LEU  41 -13.811   5.443  -0.221
  348   3HD1  LEU  41          3HD1      LEU  41 -14.327   7.128  -0.240
  349   1HD2  LEU  41          1HD2      LEU  41 -14.031   4.342  -2.743
  350   2HD2  LEU  41          2HD2      LEU  41 -15.774   4.277  -3.002
  351   3HD2  LEU  41          3HD2      LEU  41 -15.101   3.847  -1.431
  352    H    VAL  42           H        VAL  42 -18.603   8.021  -0.377
  353    HA   VAL  42           HA       VAL  42 -20.615   6.344   0.600
  354    HB   VAL  42           HB       VAL  42 -20.694   9.362   0.634
  355   1HG1  VAL  42          1HG1      VAL  42 -21.871   7.283   2.476
  356   2HG1  VAL  42          2HG1      VAL  42 -22.758   8.317   1.356
  357   3HG1  VAL  42          3HG1      VAL  42 -21.926   9.027   2.738
  358   1HG2  VAL  42          1HG2      VAL  42 -19.023   9.444   2.114
  359   2HG2  VAL  42          2HG2      VAL  42 -18.626   7.807   1.589
  360   3HG2  VAL  42          3HG2      VAL  42 -19.638   8.056   3.011
  361    H    TYR  43           H        TYR  43 -20.785   8.962  -1.793
  362    HA   TYR  43           HA       TYR  43 -23.539   8.871  -2.265
  363   1HB   TYR  43          2HB       TYR  43 -22.157  10.708  -3.067
  364   2HB   TYR  43          1HB       TYR  43 -21.294   9.622  -4.149
  365    HD1  TYR  43           1HD      TYR  43 -24.309  11.585  -3.645
  366    HD2  TYR  43           2HD      TYR  43 -22.431   8.701  -6.144
  367    HE1  TYR  43           1HE      TYR  43 -25.953  12.055  -5.412
  368    HE2  TYR  43           2HE      TYR  43 -24.067   9.163  -7.918
  369    HH   TYR  43           HH       TYR  43 -26.674  10.191  -7.795
  370    H    ARG  44           H        ARG  44 -20.892   6.987  -3.635
  371    HA   ARG  44           HA       ARG  44 -22.334   5.749  -5.705
  372   1HB   ARG  44          2HB       ARG  44 -19.750   5.762  -5.038
  373   2HB   ARG  44          1HB       ARG  44 -20.192   4.222  -4.314
  374   1HG   ARG  44          2HG       ARG  44 -21.292   4.342  -6.939
  375   2HG   ARG  44          1HG       ARG  44 -19.585   4.784  -7.012
  376   1HD   ARG  44          2HD       ARG  44 -19.554   2.470  -7.248
  377   2HD   ARG  44          1HD       ARG  44 -19.200   2.713  -5.538
  378    HE   ARG  44           HE       ARG  44 -21.183   1.691  -5.014
  379   1HH1  ARG  44          1HH1      ARG  44 -21.189   2.508  -8.407
  380   2HH1  ARG  44          2HH1      ARG  44 -22.643   1.632  -8.744
  381   1HH2  ARG  44          1HH2      ARG  44 -23.096   0.537  -5.455
  382   2HH2  ARG  44          2HH2      ARG  44 -23.728   0.513  -7.068
  383    H    LEU  45           H        LEU  45 -21.917   4.926  -2.303
  384    HA   LEU  45           HA       LEU  45 -23.437   2.471  -2.591
  385   1HB   LEU  45          2HB       LEU  45 -22.032   3.835  -0.322
  386   2HB   LEU  45          1HB       LEU  45 -23.183   2.551   0.001
  387    HG   LEU  45           HG       LEU  45 -20.810   1.800  -0.065
  388   1HD1  LEU  45          1HD1      LEU  45 -21.421  -0.232  -0.823
  389   2HD1  LEU  45          2HD1      LEU  45 -22.037   0.402  -2.349
  390   3HD1  LEU  45          3HD1      LEU  45 -23.019   0.508  -0.888
  391   1HD2  LEU  45          1HD2      LEU  45 -19.749   1.566  -2.284
  392   2HD2  LEU  45          2HD2      LEU  45 -19.960   3.249  -1.798
  393   3HD2  LEU  45          3HD2      LEU  45 -21.053   2.528  -2.980
  394    H    GLN  46           H        GLN  46 -23.909   5.761  -1.560
  395    HA   GLN  46           HA       GLN  46 -26.778   5.287  -1.382
  396   1HB   GLN  46          2HB       GLN  46 -25.039   6.067   0.892
  397   2HB   GLN  46          1HB       GLN  46 -26.553   6.947   0.727
  398   1HG   GLN  46          2HG       GLN  46 -27.838   5.006   0.992
  399   2HG   GLN  46          1HG       GLN  46 -26.453   3.951   0.715
  400   1HE2  GLN  46          1HE2      GLN  46 -28.422   5.305   3.014
  401   2HE2  GLN  46          2HE2      GLN  46 -27.430   5.056   4.408
  402    HA   PRO  47           HA       PRO  47 -25.561   9.176  -3.619
  403   1HB   PRO  47          2HB       PRO  47 -27.156   8.758  -5.771
  404   2HB   PRO  47          1HB       PRO  47 -25.521   8.096  -5.650
  405   1HG   PRO  47          2HG       PRO  47 -28.151   6.760  -5.131
  406   2HG   PRO  47          1HG       PRO  47 -26.728   6.138  -5.992
  407   1HD   PRO  47          2HD       PRO  47 -27.296   5.468  -3.427
  408   2HD   PRO  47          1HD       PRO  47 -25.635   5.587  -4.040
  409    H    GLY  48           H        GLY  48 -28.666   7.655  -2.987
  410   1HA   GLY  48          2HA       GLY  48 -30.268   9.956  -3.416
  411   2HA   GLY  48          1HA       GLY  48 -30.735   8.530  -2.502
  412    H    LEU  49           H        LEU  49 -28.242   8.988  -0.795
  413    HA   LEU  49           HA       LEU  49 -29.410  11.121   0.874
  414   1HB   LEU  49          2HB       LEU  49 -28.146   8.500   1.593
  415   2HB   LEU  49          1HB       LEU  49 -28.173   9.822   2.747
  416    HG   LEU  49           HG       LEU  49 -30.652   8.685   1.459
  417   1HD1  LEU  49          1HD1      LEU  49 -29.313   7.087   2.930
  418   2HD1  LEU  49          2HD1      LEU  49 -31.008   7.346   3.345
  419   3HD1  LEU  49          3HD1      LEU  49 -29.741   8.155   4.267
  420   1HD2  LEU  49          1HD2      LEU  49 -30.714  10.101   4.045
  421   2HD2  LEU  49          2HD2      LEU  49 -31.849  10.145   2.695
  422   3HD2  LEU  49          3HD2      LEU  49 -30.359  11.089   2.627
  423    H    LEU  50           H        LEU  50 -27.519  11.706  -1.144
  424    HA   LEU  50           HA       LEU  50 -25.548  13.047   0.449
  425   1HB   LEU  50          2HB       LEU  50 -24.870  10.504  -0.502
  426   2HB   LEU  50          1HB       LEU  50 -24.071  11.623  -1.590
  427    HG   LEU  50           HG       LEU  50 -23.340  12.747   0.715
  428   1HD1  LEU  50          1HD1      LEU  50 -22.726  10.790   2.242
  429   2HD1  LEU  50          2HD1      LEU  50 -23.974   9.893   1.379
  430   3HD1  LEU  50          3HD1      LEU  50 -24.396  11.357   2.266
  431   1HD2  LEU  50          1HD2      LEU  50 -22.104  10.397  -0.697
  432   2HD2  LEU  50          2HD2      LEU  50 -21.285  11.274   0.595
  433   3HD2  LEU  50          3HD2      LEU  50 -21.732  12.110  -0.893
  434    H    GLU  51           H        GLU  51 -23.975  14.275  -1.010
  435    HA   GLU  51           HA       GLU  51 -24.857  14.825  -3.692
  436   1HB   GLU  51          2HB       GLU  51 -25.271  16.863  -1.501
  437   2HB   GLU  51          1HB       GLU  51 -25.258  17.268  -3.212
  438   1HG   GLU  51          2HG       GLU  51 -27.115  15.533  -3.453
  439   2HG   GLU  51          1HG       GLU  51 -27.239  15.609  -1.697
  440    HA   PRO  52           HA       PRO  52 -20.318  15.456  -2.478
  441   1HB   PRO  52          2HB       PRO  52 -19.452  14.023  -4.687
  442   2HB   PRO  52          1HB       PRO  52 -19.634  13.365  -3.059
  443   1HG   PRO  52          2HG       PRO  52 -21.500  13.203  -5.387
  444   2HG   PRO  52          1HG       PRO  52 -21.083  11.960  -4.191
  445   1HD   PRO  52          2HD       PRO  52 -23.391  13.302  -4.044
  446   2HD   PRO  52          1HD       PRO  52 -22.490  12.867  -2.577
  447    H    SER  53           H        SER  53 -22.334  15.961  -5.250
  448    HA   SER  53           HA       SER  53 -20.517  17.280  -6.932
  449   1HB   SER  53          2HB       SER  53 -22.554  18.294  -7.964
  450   2HB   SER  53          1HB       SER  53 -22.659  16.543  -7.783
  451    HG   SER  53           HG       SER  53 -24.572  17.515  -7.080
  452    H    GLU  54           H        GLU  54 -22.702  18.512  -4.436
  453    HA   GLU  54           HA       GLU  54 -21.955  21.238  -4.796
  454   1HB   GLU  54          2HB       GLU  54 -23.892  19.809  -3.315
  455   2HB   GLU  54          1HB       GLU  54 -22.958  20.736  -2.150
  456   1HG   GLU  54          2HG       GLU  54 -24.385  22.380  -2.641
  457   2HG   GLU  54          1HG       GLU  54 -23.383  22.595  -4.077
  458    H    LEU  55           H        LEU  55 -21.142  18.807  -2.328
  459    HA   LEU  55           HA       LEU  55 -19.401  20.426  -0.833
  460   1HB   LEU  55          2HB       LEU  55 -19.814  17.482  -1.111
  461   2HB   LEU  55          1HB       LEU  55 -18.422  18.068  -0.222
  462    HG   LEU  55           HG       LEU  55 -20.171  17.603   1.343
  463   1HD1  LEU  55          1HD1      LEU  55 -18.824  19.924   1.275
  464   2HD1  LEU  55          2HD1      LEU  55 -19.938  19.481   2.567
  465   3HD1  LEU  55          3HD1      LEU  55 -20.479  20.532   1.259
  466   1HD2  LEU  55          1HD2      LEU  55 -21.977  19.597   0.027
  467   2HD2  LEU  55          2HD2      LEU  55 -22.372  18.327   1.186
  468   3HD2  LEU  55          3HD2      LEU  55 -21.973  17.907  -0.481
  469    H    GLN  56           H        GLN  56 -18.979  18.975  -3.896
  470    HA   GLN  56           HA       GLN  56 -16.232  18.455  -3.892
  471   1HB   GLN  56          2HB       GLN  56 -17.657  17.657  -5.679
  472   2HB   GLN  56          1HB       GLN  56 -18.055  19.303  -6.145
  473   1HG   GLN  56          2HG       GLN  56 -15.224  18.997  -6.195
  474   2HG   GLN  56          1HG       GLN  56 -15.962  17.670  -7.090
  475   1HE2  GLN  56          1HE2      GLN  56 -15.882  21.180  -6.785
  476   2HE2  GLN  56          2HE2      GLN  56 -16.291  21.514  -8.430
  477    H    GLY  57           H        GLY  57 -18.014  21.428  -4.530
  478   1HA   GLY  57          2HA       GLY  57 -15.420  22.841  -4.597
  479   2HA   GLY  57          1HA       GLY  57 -16.825  23.360  -5.516
  480    H    LEU  58           H        LEU  58 -18.269  22.426  -2.829
  481    HA   LEU  58           HA       LEU  58 -18.735  25.016  -1.862
  482   1HB   LEU  58          2HB       LEU  58 -19.596  22.338  -1.247
  483   2HB   LEU  58          1HB       LEU  58 -19.295  23.224   0.234
  484    HG   LEU  58           HG       LEU  58 -20.740  25.060  -1.106
  485   1HD1  LEU  58          1HD1      LEU  58 -21.046  23.522  -3.020
  486   2HD1  LEU  58          2HD1      LEU  58 -22.565  24.015  -2.272
  487   3HD1  LEU  58          3HD1      LEU  58 -21.901  22.413  -1.950
  488   1HD2  LEU  58          1HD2      LEU  58 -21.045  23.975   1.192
  489   2HD2  LEU  58          2HD2      LEU  58 -22.115  22.838   0.369
  490   3HD2  LEU  58          3HD2      LEU  58 -22.488  24.563   0.366
  491    H    GLY  59           H        GLY  59 -16.368  22.591  -1.005
  492   1HA   GLY  59          2HA       GLY  59 -14.522  24.279   0.108
  493   2HA   GLY  59          1HA       GLY  59 -15.577  23.860   1.449
  494    H    ALA  60           H        ALA  60 -12.776  23.253   1.161
  495    HA   ALA  60           HA       ALA  60 -12.481  20.499   0.457
  496   1HB   ALA  60          1HB       ALA  60 -10.768  22.664   1.120
  497   2HB   ALA  60          2HB       ALA  60 -10.347  21.097   0.431
  498   3HB   ALA  60          3HB       ALA  60 -10.379  21.311   2.180
  499    H    LEU  61           H        LEU  61 -12.078  22.118   3.614
  500    HA   LEU  61           HA       LEU  61 -12.183  19.752   5.124
  501   1HB   LEU  61          2HB       LEU  61 -11.357  22.101   5.786
  502   2HB   LEU  61          1HB       LEU  61 -13.034  22.433   6.174
  503    HG   LEU  61           HG       LEU  61 -11.839  19.996   7.375
  504   1HD1  LEU  61          1HD1      LEU  61 -10.810  21.265   9.180
  505   2HD1  LEU  61          2HD1      LEU  61 -11.187  22.775   8.348
  506   3HD1  LEU  61          3HD1      LEU  61 -10.044  21.636   7.634
  507   1HD2  LEU  61          1HD2      LEU  61 -14.225  21.130   7.623
  508   2HD2  LEU  61          2HD2      LEU  61 -13.376  22.044   8.869
  509   3HD2  LEU  61          3HD2      LEU  61 -13.444  20.284   8.959
  510    H    GLU  62           H        GLU  62 -14.689  22.003   4.104
  511    HA   GLU  62           HA       GLU  62 -16.784  21.034   5.697
  512   1HB   GLU  62          2HB       GLU  62 -16.707  23.154   4.263
  513   2HB   GLU  62          1HB       GLU  62 -17.145  22.120   2.909
  514   1HG   GLU  62          2HG       GLU  62 -19.237  22.656   3.483
  515   2HG   GLU  62          1HG       GLU  62 -19.028  21.407   4.709
  516    H    ALA  63           H        ALA  63 -15.723  20.103   2.441
  517    HA   ALA  63           HA       ALA  63 -17.766  18.229   1.946
  518   1HB   ALA  63          1HB       ALA  63 -16.519  17.556   0.078
  519   2HB   ALA  63          2HB       ALA  63 -14.990  18.018   0.825
  520   3HB   ALA  63          3HB       ALA  63 -16.121  19.259   0.294
  521    H    THR  64           H        THR  64 -14.521  17.873   3.328
  522    HA   THR  64           HA       THR  64 -14.620  15.057   3.594
  523    HB   THR  64           HB       THR  64 -12.993  16.910   5.326
  524    HG1  THR  64           1HG      THR  64 -12.311  16.001   2.732
  525   1HG2  THR  64          1HG2      THR  64 -11.367  14.884   4.530
  526   2HG2  THR  64          2HG2      THR  64 -12.917  14.060   4.705
  527   3HG2  THR  64          3HG2      THR  64 -12.232  14.951   6.064
  528    H    ALA  65           H        ALA  65 -15.135  17.674   5.953
  529    HA   ALA  65           HA       ALA  65 -15.759  16.035   8.139
  530   1HB   ALA  65          1HB       ALA  65 -17.130  18.641   7.991
  531   2HB   ALA  65          2HB       ALA  65 -15.374  18.679   7.832
  532   3HB   ALA  65          3HB       ALA  65 -16.115  17.961   9.263
  533    H    TRP  66           H        TRP  66 -17.841  17.519   5.684
  534    HA   TRP  66           HA       TRP  66 -20.288  16.657   6.808
  535   1HB   TRP  66          2HB       TRP  66 -19.939  18.480   5.061
  536   2HB   TRP  66          1HB       TRP  66 -19.804  17.184   3.876
  537    HD1  TRP  66           HD       TRP  66 -22.366  18.725   6.314
  538    HE1  TRP  66           1HE      TRP  66 -24.728  18.167   5.455
  539    HE3  TRP  66           3HE      TRP  66 -21.114  15.641   2.432
  540    HZ2  TRP  66           2HZ      TRP  66 -25.905  16.625   3.405
  541    HZ3  TRP  66           3HZ      TRP  66 -22.917  14.665   1.072
  542    HH2  TRP  66           HH       TRP  66 -25.263  15.148   1.550
  543    H    ALA  67           H        ALA  67 -18.150  15.270   4.355
  544    HA   ALA  67           HA       ALA  67 -19.845  13.075   3.728
  545   1HB   ALA  67          1HB       ALA  67 -17.015  13.800   3.144
  546   2HB   ALA  67          2HB       ALA  67 -18.352  13.486   2.036
  547   3HB   ALA  67          3HB       ALA  67 -17.552  12.144   2.858
  548    H    LEU  68           H        LEU  68 -17.189  13.550   6.000
  549    HA   LEU  68           HA       LEU  68 -16.901  10.840   6.749
  550   1HB   LEU  68          2HB       LEU  68 -15.928  13.441   7.675
  551   2HB   LEU  68          1HB       LEU  68 -16.128  12.272   8.967
  552    HG   LEU  68           HG       LEU  68 -14.796  10.752   7.177
  553   1HD1  LEU  68          1HD1      LEU  68 -14.633  12.703   5.628
  554   2HD1  LEU  68          2HD1      LEU  68 -13.081  12.004   6.090
  555   3HD1  LEU  68          3HD1      LEU  68 -13.627  13.506   6.835
  556   1HD2  LEU  68          1HD2      LEU  68 -12.710  11.529   8.465
  557   2HD2  LEU  68          2HD2      LEU  68 -14.042  10.823   9.379
  558   3HD2  LEU  68          3HD2      LEU  68 -13.823  12.572   9.350
  559    H    LYS  69           H        LYS  69 -18.754  13.517   8.176
  560    HA   LYS  69           HA       LYS  69 -19.759  12.053  10.365
  561   1HB   LYS  69          2HB       LYS  69 -20.063  14.681   9.272
  562   2HB   LYS  69          1HB       LYS  69 -21.658  14.032   9.627
  563   1HG   LYS  69          2HG       LYS  69 -20.165  13.379  11.862
  564   2HG   LYS  69          1HG       LYS  69 -19.603  14.993  11.424
  565   1HD   LYS  69          2HD       LYS  69 -22.522  14.592  11.343
  566   2HD   LYS  69          1HD       LYS  69 -21.785  14.512  12.944
  567   1HE   LYS  69          2HE       LYS  69 -20.560  16.704  11.947
  568   2HE   LYS  69          1HE       LYS  69 -22.112  16.801  11.115
  569   1HZ   LYS  69          1HZ       LYS  69 -22.024  17.976  13.287
  570   2HZ   LYS  69          2HZ       LYS  69 -21.840  16.478  14.052
  571   3HZ   LYS  69          3HZ       LYS  69 -23.253  16.817  13.185
  572    H    VAL  70           H        VAL  70 -21.179  12.789   7.187
  573    HA   VAL  70           HA       VAL  70 -23.575  11.336   7.646
  574    HB   VAL  70           HB       VAL  70 -23.922  11.495   5.208
  575   1HG1  VAL  70          1HG1      VAL  70 -24.680  13.357   6.431
  576   2HG1  VAL  70          2HG1      VAL  70 -23.772  14.027   5.075
  577   3HG1  VAL  70          3HG1      VAL  70 -23.043  13.963   6.680
  578   1HG2  VAL  70          1HG2      VAL  70 -21.952  11.295   4.084
  579   2HG2  VAL  70          2HG2      VAL  70 -21.047  12.223   5.279
  580   3HG2  VAL  70          3HG2      VAL  70 -22.071  13.054   4.110
  581    H    ALA  71           H        ALA  71 -20.469  10.509   6.187
  582    HA   ALA  71           HA       ALA  71 -21.119   8.051   5.061
  583   1HB   ALA  71          1HB       ALA  71 -18.547   8.973   6.335
  584   2HB   ALA  71          2HB       ALA  71 -18.981   9.029   4.626
  585   3HB   ALA  71          3HB       ALA  71 -18.711   7.476   5.415
  586    H    GLU  72           H        GLU  72 -20.133   8.845   8.362
  587    HA   GLU  72           HA       GLU  72 -20.185   6.168   9.317
  588   1HB   GLU  72          2HB       GLU  72 -18.897   7.914  10.451
  589   2HB   GLU  72          1HB       GLU  72 -20.380   8.786  10.817
  590   1HG   GLU  72          2HG       GLU  72 -20.578   6.097  11.777
  591   2HG   GLU  72          1HG       GLU  72 -19.093   6.838  12.368
  592    H    ASN  73           H        ASN  73 -22.526   8.787   9.178
  593    HA   ASN  73           HA       ASN  73 -24.489   7.506  10.786
  594   1HB   ASN  73          2HB       ASN  73 -24.350   9.925   9.088
  595   2HB   ASN  73          1HB       ASN  73 -25.955   9.246   9.341
  596   1HD2  ASN  73          1HD2      ASN  73 -26.182   8.506  11.781
  597   2HD2  ASN  73          2HD2      ASN  73 -25.795   9.748  12.918
  598    H    GLU  74           H        GLU  74 -23.943   7.710   7.301
  599    HA   GLU  74           HA       GLU  74 -26.327   6.228   6.674
  600   1HB   GLU  74          2HB       GLU  74 -24.007   6.971   4.891
  601   2HB   GLU  74          1HB       GLU  74 -25.578   6.387   4.361
  602   1HG   GLU  74          2HG       GLU  74 -25.211   8.920   5.934
  603   2HG   GLU  74          1HG       GLU  74 -25.201   8.862   4.173
  604    H    LEU  75           H        LEU  75 -22.841   5.515   6.704
  605    HA   LEU  75           HA       LEU  75 -23.462   2.726   6.050
  606   1HB   LEU  75          2HB       LEU  75 -21.052   4.439   5.776
  607   2HB   LEU  75          1HB       LEU  75 -20.804   2.721   6.017
  608    HG   LEU  75           HG       LEU  75 -22.754   3.430   3.919
  609   1HD1  LEU  75          1HD1      LEU  75 -20.543   3.638   2.425
  610   2HD1  LEU  75          2HD1      LEU  75 -19.975   4.423   3.897
  611   3HD1  LEU  75          3HD1      LEU  75 -21.408   5.033   3.071
  612   1HD2  LEU  75          1HD2      LEU  75 -20.442   1.675   3.418
  613   2HD2  LEU  75          2HD2      LEU  75 -22.153   1.430   3.068
  614   3HD2  LEU  75          3HD2      LEU  75 -21.539   1.157   4.698
  615    H    GLY  76           H        GLY  76 -21.661   4.635   8.457
  616   1HA   GLY  76          2HA       GLY  76 -21.862   3.988  10.800
  617   2HA   GLY  76          1HA       GLY  76 -21.899   2.317  10.271
  618    H    ILE  77           H        ILE  77 -19.648   4.389   8.697
  619    HA   ILE  77           HA       ILE  77 -17.451   2.890   9.857
  620    HB   ILE  77           HB       ILE  77 -17.282   5.089   7.799
  621   1HG1  ILE  77          2HG1      ILE  77 -17.400   2.127   7.228
  622   2HG1  ILE  77          1HG1      ILE  77 -18.831   3.153   7.195
  623   1HG2  ILE  77          1HG2      ILE  77 -15.277   3.379   7.245
  624   2HG2  ILE  77          2HG2      ILE  77 -15.390   3.172   8.991
  625   3HG2  ILE  77          3HG2      ILE  77 -15.109   4.774   8.311
  626   1HD1  ILE  77          1HD1      ILE  77 -17.977   2.847   4.966
  627   2HD1  ILE  77          2HD1      ILE  77 -16.389   3.433   5.461
  628   3HD1  ILE  77          3HD1      ILE  77 -17.770   4.529   5.455
  629    H    THR  78           H        THR  78 -16.440   3.552  11.625
  630    HA   THR  78           HA       THR  78 -16.808   6.171  12.700
  631    HB   THR  78           HB       THR  78 -16.580   4.326  14.223
  632    HG1  THR  78           1HG      THR  78 -14.181   5.827  14.353
  633   1HG2  THR  78          1HG2      THR  78 -13.977   3.527  14.296
  634   2HG2  THR  78          2HG2      THR  78 -14.291   3.620  12.562
  635   3HG2  THR  78          3HG2      THR  78 -15.309   2.611  13.592
  636    HA   PRO  79           HA       PRO  79 -13.583   8.331  10.538
  637   1HB   PRO  79          2HB       PRO  79 -13.371   9.869  13.075
  638   2HB   PRO  79          1HB       PRO  79 -13.609  10.449  11.424
  639   1HG   PRO  79          2HG       PRO  79 -15.626  10.432  13.162
  640   2HG   PRO  79          1HG       PRO  79 -15.886  10.018  11.458
  641   1HD   PRO  79          2HD       PRO  79 -15.714   8.224  13.842
  642   2HD   PRO  79          1HD       PRO  79 -16.755   8.102  12.408
  643    H    VAL  80           H        VAL  80 -11.467   7.941  10.328
  644    HA   VAL  80           HA       VAL  80  -9.998   6.954  12.686
  645    HB   VAL  80           HB       VAL  80  -9.415   6.312   9.793
  646   1HG1  VAL  80          1HG1      VAL  80  -7.401   5.930  10.778
  647   2HG1  VAL  80          2HG1      VAL  80  -8.176   4.392  11.158
  648   3HG1  VAL  80          3HG1      VAL  80  -8.107   5.668  12.374
  649   1HG2  VAL  80          1HG2      VAL  80 -11.588   5.402  10.913
  650   2HG2  VAL  80          2HG2      VAL  80 -10.473   4.322  11.750
  651   3HG2  VAL  80          3HG2      VAL  80 -10.551   4.316   9.989
  652    H    VAL  81           H        VAL  81 -10.070   9.266  10.115
  653    HA   VAL  81           HA       VAL  81  -7.532  10.386  11.096
  654    HB   VAL  81           HB       VAL  81  -7.074  11.186   8.771
  655   1HG1  VAL  81          1HG1      VAL  81  -6.034   9.183   8.069
  656   2HG1  VAL  81          2HG1      VAL  81  -7.233   8.185   8.891
  657   3HG1  VAL  81          3HG1      VAL  81  -6.071   9.120   9.832
  658   1HG2  VAL  81          1HG2      VAL  81  -8.203  10.059   6.909
  659   2HG2  VAL  81          2HG2      VAL  81  -9.332  11.010   7.873
  660   3HG2  VAL  81          3HG2      VAL  81  -9.281   9.256   8.052
  661    H    SER  82           H        SER  82  -7.306  12.719  10.687
  662    HA   SER  82           HA       SER  82  -9.857  14.056  11.099
  663   1HB   SER  82          2HB       SER  82  -8.485  16.004  11.729
  664   2HB   SER  82          1HB       SER  82  -8.012  14.566  12.633
  665    HG   SER  82           HG       SER  82  -6.224  14.351  11.328
  666    H    ALA  83           H        ALA  83 -10.542  15.866   9.893
  667    HA   ALA  83           HA       ALA  83 -10.228  15.644   7.113
  668   1HB   ALA  83          1HB       ALA  83 -11.572  17.628   6.947
  669   2HB   ALA  83          2HB       ALA  83 -11.223  18.056   8.624
  670   3HB   ALA  83          3HB       ALA  83 -12.198  16.632   8.261
  671    H    GLN  84           H        GLN  84  -8.804  17.905   9.444
  672    HA   GLN  84           HA       GLN  84  -7.505  19.607   7.676
  673   1HB   GLN  84          2HB       GLN  84  -7.540  19.176  10.462
  674   2HB   GLN  84          1HB       GLN  84  -5.849  19.128   9.984
  675   1HG   GLN  84          2HG       GLN  84  -7.748  21.351   9.275
  676   2HG   GLN  84          1HG       GLN  84  -6.656  21.373  10.658
  677   1HE2  GLN  84          1HE2      GLN  84  -5.468  23.106   9.963
  678   2HE2  GLN  84          2HE2      GLN  84  -4.418  23.045   8.592
  679    H    ALA  85           H        ALA  85  -6.524  16.458   8.908
  680    HA   ALA  85           HA       ALA  85  -3.885  16.513   7.873
  681   1HB   ALA  85          1HB       ALA  85  -4.910  14.970   9.670
  682   2HB   ALA  85          2HB       ALA  85  -3.705  14.305   8.568
  683   3HB   ALA  85          3HB       ALA  85  -5.418  13.978   8.303
  684    H    VAL  86           H        VAL  86  -6.955  15.273   6.624
  685    HA   VAL  86           HA       VAL  86  -5.889  14.068   4.298
  686    HB   VAL  86           HB       VAL  86  -8.679  15.178   4.616
  687   1HG1  VAL  86          1HG1      VAL  86  -7.403  13.183   2.778
  688   2HG1  VAL  86          2HG1      VAL  86  -8.417  14.570   2.383
  689   3HG1  VAL  86          3HG1      VAL  86  -9.133  13.135   3.114
  690   1HG2  VAL  86          1HG2      VAL  86  -7.365  12.821   5.828
  691   2HG2  VAL  86          2HG2      VAL  86  -8.984  12.577   5.170
  692   3HG2  VAL  86          3HG2      VAL  86  -8.712  13.798   6.413
  693    H    VAL  87           H        VAL  87  -7.496  17.213   4.788
  694    HA   VAL  87           HA       VAL  87  -7.222  18.106   2.134
  695    HB   VAL  87           HB       VAL  87  -7.334  19.858   4.589
  696   1HG1  VAL  87          1HG1      VAL  87  -6.792  21.008   2.494
  697   2HG1  VAL  87          2HG1      VAL  87  -8.384  21.469   3.098
  698   3HG1  VAL  87          3HG1      VAL  87  -8.244  20.336   1.753
  699   1HG2  VAL  87          1HG2      VAL  87  -9.266  18.788   5.008
  700   2HG2  VAL  87          2HG2      VAL  87  -9.345  18.088   3.392
  701   3HG2  VAL  87          3HG2      VAL  87  -9.889  19.743   3.663
  702    H    ALA  88           H        ALA  88  -5.016  18.081   4.824
  703    HA   ALA  88           HA       ALA  88  -3.187  19.962   3.610
  704   1HB   ALA  88          1HB       ALA  88  -1.864  19.726   5.550
  705   2HB   ALA  88          2HB       ALA  88  -2.626  18.193   5.975
  706   3HB   ALA  88          3HB       ALA  88  -3.540  19.697   6.097
  707    H    GLY  89           H        GLY  89  -3.813  16.637   3.312
  708   1HA   GLY  89          2HA       GLY  89  -2.717  14.937   2.231
  709   2HA   GLY  89          1HA       GLY  89  -1.849  16.204   1.378
  710    H    SER  90           H        SER  90  -1.679  15.920   4.844
  711    HA   SER  90           HA       SER  90   1.116  15.028   4.576
  712   1HB   SER  90          2HB       SER  90   0.075  16.476   6.994
  713   2HB   SER  90          1HB       SER  90   1.725  16.388   6.377
  714    HG   SER  90           HG       SER  90   1.305  18.184   5.393
  715    H    ASP  91           H        ASP  91  -1.197  13.283   4.731
  716    HA   ASP  91           HA       ASP  91  -0.287  11.617   6.906
  717   1HB   ASP  91          2HB       ASP  91  -2.101  13.216   7.814
  718   2HB   ASP  91          1HB       ASP  91  -3.227  12.259   6.857
  719    HA   PRO  92           HA       PRO  92  -1.899   9.633   2.901
  720   1HB   PRO  92          2HB       PRO  92   0.452   8.305   2.386
  721   2HB   PRO  92          1HB       PRO  92   0.026   9.875   1.698
  722   1HG   PRO  92          2HG       PRO  92   1.767   9.243   4.047
  723   2HG   PRO  92          1HG       PRO  92   2.009  10.443   2.763
  724   1HD   PRO  92          2HD       PRO  92   1.122  11.144   5.200
  725   2HD   PRO  92          1HD       PRO  92   0.544  11.955   3.729
  726    H    LEU  93           H        LEU  93   0.223   8.385   5.463
  727    HA   LEU  93           HA       LEU  93  -0.410   5.678   5.220
  728   1HB   LEU  93          2HB       LEU  93   1.357   6.912   6.688
  729   2HB   LEU  93          1HB       LEU  93   0.083   6.941   7.892
  730    HG   LEU  93           HG       LEU  93   0.572   4.297   6.695
  731   1HD1  LEU  93          1HD1      LEU  93   2.605   5.353   8.633
  732   2HD1  LEU  93          2HD1      LEU  93   2.864   5.385   6.888
  733   3HD1  LEU  93          3HD1      LEU  93   2.631   3.846   7.716
  734   1HD2  LEU  93          1HD2      LEU  93  -0.907   5.024   8.703
  735   2HD2  LEU  93          2HD2      LEU  93   0.611   4.997   9.600
  736   3HD2  LEU  93          3HD2      LEU  93   0.029   3.533   8.807
  737    H    GLY  94           H        GLY  94  -1.959   8.223   7.149
  738   1HA   GLY  94          2HA       GLY  94  -3.867   6.527   8.385
  739   2HA   GLY  94          1HA       GLY  94  -3.975   8.276   8.252
  740    H    LEU  95           H        LEU  95  -3.879   8.374   5.387
  741    HA   LEU  95           HA       LEU  95  -6.616   8.152   4.800
  742   1HB   LEU  95          2HB       LEU  95  -4.433   9.334   3.624
  743   2HB   LEU  95          1HB       LEU  95  -4.826   8.064   2.481
  744    HG   LEU  95           HG       LEU  95  -5.913  10.131   1.839
  745   1HD1  LEU  95          1HD1      LEU  95  -7.117   7.693   2.018
  746   2HD1  LEU  95          2HD1      LEU  95  -7.777   9.093   1.173
  747   3HD1  LEU  95          3HD1      LEU  95  -8.287   8.738   2.824
  748   1HD2  LEU  95          1HD2      LEU  95  -6.012  11.143   4.081
  749   2HD2  LEU  95          2HD2      LEU  95  -7.300  10.019   4.515
  750   3HD2  LEU  95          3HD2      LEU  95  -7.563  11.213   3.245
  751    H    ILE  96           H        ILE  96  -3.873   6.059   3.992
  752    HA   ILE  96           HA       ILE  96  -5.307   4.234   2.391
  753    HB   ILE  96           HB       ILE  96  -2.834   3.699   4.044
  754   1HG1  ILE  96          2HG1      ILE  96  -2.983   4.450   1.123
  755   2HG1  ILE  96          1HG1      ILE  96  -2.724   5.632   2.402
  756   1HG2  ILE  96          1HG2      ILE  96  -2.639   2.125   1.844
  757   2HG2  ILE  96          2HG2      ILE  96  -4.380   2.100   2.127
  758   3HG2  ILE  96          3HG2      ILE  96  -3.272   1.590   3.400
  759   1HD1  ILE  96          1HD1      ILE  96  -0.940   3.288   1.792
  760   2HD1  ILE  96          2HD1      ILE  96  -0.674   4.497   3.050
  761   3HD1  ILE  96          3HD1      ILE  96  -0.634   4.968   1.350
  762    H    ALA  97           H        ALA  97  -4.607   4.331   5.855
  763    HA   ALA  97           HA       ALA  97  -5.613   1.813   6.546
  764   1HB   ALA  97          1HB       ALA  97  -5.425   4.372   8.119
  765   2HB   ALA  97          2HB       ALA  97  -4.322   2.997   8.148
  766   3HB   ALA  97          3HB       ALA  97  -5.945   2.840   8.821
  767    H    TYR  98           H        TYR  98  -7.210   4.881   5.980
  768    HA   TYR  98           HA       TYR  98  -9.742   4.159   7.036
  769   1HB   TYR  98          2HB       TYR  98  -8.687   6.499   6.276
  770   2HB   TYR  98          1HB       TYR  98  -9.582   6.123   4.807
  771    HD1  TYR  98           1HD      TYR  98 -10.479   5.441   8.358
  772    HD2  TYR  98           2HD      TYR  98 -11.380   7.607   4.810
  773    HE1  TYR  98           1HE      TYR  98 -12.535   6.289   9.405
  774    HE2  TYR  98           2HE      TYR  98 -13.438   8.463   5.848
  775    HH   TYR  98           HH       TYR  98 -14.298   8.859   8.180
  776    H    LEU  99           H        LEU  99  -8.387   4.125   3.755
  777    HA   LEU  99           HA       LEU  99 -10.683   3.285   2.401
  778   1HB   LEU  99          2HB       LEU  99  -7.829   2.583   1.715
  779   2HB   LEU  99          1HB       LEU  99  -9.196   2.585   0.618
  780    HG   LEU  99           HG       LEU  99  -8.064   5.035   1.969
  781   1HD1  LEU  99          1HD1      LEU  99  -6.439   4.670   0.436
  782   2HD1  LEU  99          2HD1      LEU  99  -7.613   5.450  -0.623
  783   3HD1  LEU  99          3HD1      LEU  99  -7.481   3.692  -0.600
  784   1HD2  LEU  99          1HD2      LEU  99 -10.550   4.946   1.336
  785   2HD2  LEU  99          2HD2      LEU  99  -9.983   4.971  -0.334
  786   3HD2  LEU  99          3HD2      LEU  99  -9.594   6.306   0.750
  787    H    SER 100           H        SER 100  -8.309   1.493   4.242
  788    HA   SER 100           HA       SER 100  -8.902  -1.097   3.361
  789   1HB   SER 100          2HB       SER 100  -8.114  -0.389   6.190
  790   2HB   SER 100          1HB       SER 100  -7.766  -1.877   5.310
  791    HG   SER 100           HG       SER 100  -6.442  -0.621   3.907
  792    H    HIS 101           H        HIS 101 -10.440   0.948   5.774
  793    HA   HIS 101           HA       HIS 101 -12.172  -1.093   6.777
  794   1HB   HIS 101          2HB       HIS 101 -11.783   1.805   7.205
  795   2HB   HIS 101          1HB       HIS 101 -13.418   1.214   7.482
  796    HD1  HIS 101           1HD      HIS 101 -13.227  -1.227   9.015
  797    HD2  HIS 101           2HD      HIS 101 -10.416   1.790   9.521
  798    HE1  HIS 101           1HE      HIS 101 -12.209  -1.631  11.277
  799    HE2  HIS 101           2HE      HIS 101 -10.571   0.256  11.598
  800    H    PHE 102           H        PHE 102 -12.493   1.531   4.424
  801    HA   PHE 102           HA       PHE 102 -15.247   1.224   3.929
  802   1HB   PHE 102          2HB       PHE 102 -12.964   2.523   2.533
  803   2HB   PHE 102          1HB       PHE 102 -14.416   2.212   1.586
  804    HD1  PHE 102           1HD      PHE 102 -16.298   3.590   1.775
  805    HD2  PHE 102           2HD      PHE 102 -13.167   3.886   4.642
  806    HE1  PHE 102           1HE      PHE 102 -17.336   5.624   2.692
  807    HE2  PHE 102           2HE      PHE 102 -14.200   5.919   5.565
  808    HZ   PHE 102           HZ       PHE 102 -16.287   6.791   4.590
  809    H    HIS 103           H        HIS 103 -12.402  -0.326   2.551
  810    HA   HIS 103           HA       HIS 103 -13.687  -1.633   0.410
  811   1HB   HIS 103          2HB       HIS 103 -11.128  -1.336   1.035
  812   2HB   HIS 103          1HB       HIS 103 -11.363  -2.914   1.779
  813    HD1  HIS 103           1HD      HIS 103  -9.455  -2.761  -0.539
  814    HD2  HIS 103           2HD      HIS 103 -13.519  -3.479  -1.018
  815    HE1  HIS 103           1HE      HIS 103  -9.678  -3.914  -2.763
  816    HE2  HIS 103           2HE      HIS 103 -12.153  -4.260  -3.070
  817    H    SER 104           H        SER 104 -12.979  -2.671   3.727
  818    HA   SER 104           HA       SER 104 -13.922  -5.292   3.531
  819   1HB   SER 104          2HB       SER 104 -13.423  -3.377   5.742
  820   2HB   SER 104          1HB       SER 104 -14.483  -4.738   6.107
  821    HG   SER 104           HG       SER 104 -12.841  -6.139   5.497
  822    H    ALA 105           H        ALA 105 -15.627  -2.276   4.181
  823    HA   ALA 105           HA       ALA 105 -18.141  -3.583   4.688
  824   1HB   ALA 105          1HB       ALA 105 -18.863  -1.034   4.293
  825   2HB   ALA 105          2HB       ALA 105 -17.149  -0.801   4.644
  826   3HB   ALA 105          3HB       ALA 105 -18.185  -1.621   5.813
  827    H    PHE 106           H        PHE 106 -16.668  -1.812   2.002
  828    HA   PHE 106           HA       PHE 106 -18.938  -1.812   0.324
  829   1HB   PHE 106          2HB       PHE 106 -15.998  -1.428  -0.111
  830   2HB   PHE 106          1HB       PHE 106 -17.070  -1.579  -1.498
  831    HD1  PHE 106           1HD      PHE 106 -17.862   0.067   1.724
  832    HD2  PHE 106           2HD      PHE 106 -16.922   0.577  -2.395
  833    HE1  PHE 106           1HE      PHE 106 -18.419   2.457   1.897
  834    HE2  PHE 106           2HE      PHE 106 -17.477   2.968  -2.230
  835    HZ   PHE 106           HZ       PHE 106 -18.227   3.912  -0.082
  836    H    LYS 107           H        LYS 107 -16.426  -4.160   0.941
  837    HA   LYS 107           HA       LYS 107 -17.072  -5.811  -1.321
  838   1HB   LYS 107          2HB       LYS 107 -14.827  -5.627  -0.003
  839   2HB   LYS 107          1HB       LYS 107 -15.574  -6.786   1.088
  840   1HG   LYS 107          2HG       LYS 107 -16.030  -7.952  -1.323
  841   2HG   LYS 107          1HG       LYS 107 -14.479  -7.157  -1.600
  842   1HD   LYS 107          2HD       LYS 107 -14.068  -8.259   0.845
  843   2HD   LYS 107          1HD       LYS 107 -15.156  -9.446   0.121
  844   1HE   LYS 107          2HE       LYS 107 -13.327  -8.848  -1.888
  845   2HE   LYS 107          1HE       LYS 107 -12.359  -8.926  -0.415
  846   1HZ   LYS 107          1HZ       LYS 107 -12.365 -11.111  -0.892
  847   2HZ   LYS 107          2HZ       LYS 107 -13.784 -11.037  -1.811
  848   3HZ   LYS 107          3HZ       LYS 107 -13.873 -11.090  -0.122
  849    H    SER 108           H        SER 108 -17.990  -5.632   2.048
  850    HA   SER 108           HA       SER 108 -19.520  -8.118   1.823
  851   1HB   SER 108          2HB       SER 108 -17.992  -7.414   3.847
  852   2HB   SER 108          1HB       SER 108 -19.411  -6.487   4.333
  853    HG   SER 108           HG       SER 108 -19.925  -8.352   5.200
  854    H    MET 109           H        MET 109 -20.391  -5.869   0.321
  855    HA   MET 109           HA       MET 109 -23.122  -5.827   1.003
  856   1HB   MET 109          2HB       MET 109 -21.503  -3.835   2.304
  857   2HB   MET 109          1HB       MET 109 -22.630  -3.053   1.204
  858   1HG   MET 109          2HG       MET 109 -23.834  -5.152   2.837
  859   2HG   MET 109          1HG       MET 109 -23.175  -3.807   3.765
  860   1HE   MET 109          1HE       MET 109 -25.346  -4.737   0.687
  861   2HE   MET 109          2HE       MET 109 -26.807  -3.801   1.004
  862   3HE   MET 109          3HE       MET 109 -26.325  -5.086   2.113
  Start of MODEL   18
    1   1H    MET  -8          1HT       MET  -8  27.328   3.294 -13.405
    2   2H    MET  -8          2HT       MET  -8  28.983   2.930 -13.135
    3   3H    MET  -8          3HT       MET  -8  28.545   4.288 -14.087
    4    HA   MET  -8           HA       MET  -8  29.141   5.174 -12.083
    5   1HB   MET  -8          2HB       MET  -8  26.336   5.016 -12.836
    6   2HB   MET  -8          1HB       MET  -8  26.526   5.340 -11.119
    7   1HG   MET  -8          2HG       MET  -8  27.364   7.403 -11.460
    8   2HG   MET  -8          1HG       MET  -8  28.211   6.937 -12.934
    9   1HE   MET  -8          1HE       MET  -8  25.681   9.980 -13.423
   10   2HE   MET  -8          2HE       MET  -8  26.860   9.491 -12.206
   11   3HE   MET  -8          3HE       MET  -8  25.136   9.282 -11.898
   12    H    GLY  -7           H        GLY  -7  28.112   5.312  -9.655
   13   1HA   GLY  -7          2HA       GLY  -7  28.482   2.592  -8.569
   14   2HA   GLY  -7          1HA       GLY  -7  28.986   4.062  -7.750
   15    H    HIS  -6           H        HIS  -6  25.917   3.800  -9.400
   16    HA   HIS  -6           HA       HIS  -6  24.575   3.884  -6.779
   17   1HB   HIS  -6          2HB       HIS  -6  24.468   5.840  -8.596
   18   2HB   HIS  -6          1HB       HIS  -6  23.168   4.834  -9.222
   19    HD1  HIS  -6           1HD      HIS  -6  24.044   5.708  -5.623
   20    HD2  HIS  -6           2HD      HIS  -6  20.909   6.029  -8.333
   21    HE1  HIS  -6           1HE      HIS  -6  22.130   6.692  -4.323
   22    HE2  HIS  -6           2HE      HIS  -6  20.219   6.800  -5.962
   23    H    HIS  -5           H        HIS  -5  24.382   1.628  -6.607
   24    HA   HIS  -5           HA       HIS  -5  23.254   0.003  -8.641
   25   1HB   HIS  -5          2HB       HIS  -5  23.467  -0.482  -5.663
   26   2HB   HIS  -5          1HB       HIS  -5  23.055  -1.703  -6.863
   27    HD1  HIS  -5           1HD      HIS  -5  25.723  -1.170  -4.880
   28    HD2  HIS  -5           2HD      HIS  -5  25.419  -1.225  -9.025
   29    HE1  HIS  -5           1HE      HIS  -5  28.042  -1.664  -5.718
   30    HE2  HIS  -5           2HE      HIS  -5  27.843  -1.654  -8.230
   31    H    HIS  -4           H        HIS  -4  21.198  -0.344  -9.186
   32    HA   HIS  -4           HA       HIS  -4  19.109   0.833  -7.487
   33   1HB   HIS  -4          2HB       HIS  -4  19.211   0.256 -10.446
   34   2HB   HIS  -4          1HB       HIS  -4  17.712   0.657  -9.613
   35    HD1  HIS  -4           1HD      HIS  -4  17.834   3.066  -8.284
   36    HD2  HIS  -4           2HD      HIS  -4  20.561   2.420 -11.352
   37    HE1  HIS  -4           1HE      HIS  -4  18.670   5.348  -8.932
   38    HE2  HIS  -4           2HE      HIS  -4  20.387   4.924 -10.727
   39    H    HIS  -3           H        HIS  -3  18.075  -0.581  -6.252
   40    HA   HIS  -3           HA       HIS  -3  16.890  -2.937  -7.375
   41   1HB   HIS  -3          2HB       HIS  -3  19.395  -3.429  -6.636
   42   2HB   HIS  -3          1HB       HIS  -3  18.647  -3.564  -5.048
   43    HD1  HIS  -3           1HD      HIS  -3  16.996  -4.739  -8.226
   44    HD2  HIS  -3           2HD      HIS  -3  18.833  -6.308  -4.846
   45    HE1  HIS  -3           1HE      HIS  -3  16.555  -7.214  -8.308
   46    HE2  HIS  -3           2HE      HIS  -3  17.745  -8.152  -6.295
   47    H    HIS  -2           H        HIS  -2  15.155  -3.642  -6.198
   48    HA   HIS  -2           HA       HIS  -2  14.714  -3.244  -3.471
   49   1HB   HIS  -2          2HB       HIS  -2  13.025  -1.414  -3.554
   50   2HB   HIS  -2          1HB       HIS  -2  14.658  -0.872  -3.922
   51    HD1  HIS  -2           1HD      HIS  -2  11.715   0.282  -4.864
   52    HD2  HIS  -2           2HD      HIS  -2  14.629  -1.604  -7.149
   53    HE1  HIS  -2           1HE      HIS  -2  11.298   1.021  -7.229
   54    HE2  HIS  -2           2HE      HIS  -2  13.008  -0.212  -8.607
   55    H    HIS  -1           H        HIS  -1  13.288  -3.450  -6.681
   56    HA   HIS  -1           HA       HIS  -1  11.645  -4.780  -7.524
   57   1HB   HIS  -1          2HB       HIS  -1  12.814  -6.384  -5.723
   58   2HB   HIS  -1          1HB       HIS  -1  11.225  -6.255  -4.976
   59    HD1  HIS  -1           1HD      HIS  -1  13.040  -8.157  -7.432
   60    HD2  HIS  -1           2HD      HIS  -1   9.081  -7.016  -6.898
   61    HE1  HIS  -1           1HE      HIS  -1  11.691  -9.713  -8.877
   62    HE2  HIS  -1           2HE      HIS  -1   9.306  -8.947  -8.603
   63    H    MET   0           H        MET   0  11.090  -2.305  -6.044
   64    HA   MET   0           HA       MET   0   9.321  -1.076  -5.318
   65   1HB   MET   0          2HB       MET   0   7.668  -3.312  -6.503
   66   2HB   MET   0          1HB       MET   0   7.123  -1.675  -6.165
   67   1HG   MET   0          2HG       MET   0   9.167  -2.510  -8.209
   68   2HG   MET   0          1HG       MET   0   7.533  -1.923  -8.517
   69   1HE   MET   0          1HE       MET   0   6.701   0.168  -8.408
   70   2HE   MET   0          2HE       MET   0   7.738   0.731  -9.720
   71   3HE   MET   0          3HE       MET   0   7.559   1.702  -8.258
   72    H    GLY   1           H        GLY   1   7.273  -1.148  -3.926
   73   1HA   GLY   1          2HA       GLY   1   6.739  -3.374  -2.274
   74   2HA   GLY   1          1HA       GLY   1   7.881  -2.313  -1.461
   75    H    SER   2           H        SER   2   7.203   0.047  -1.416
   76    HA   SER   2           HA       SER   2   4.652   0.213  -0.170
   77   1HB   SER   2          2HB       SER   2   6.949   1.699  -0.049
   78   2HB   SER   2          1HB       SER   2   5.892   2.758  -0.983
   79    HG   SER   2           HG       SER   2   5.305   1.604   1.544
   80    H    ALA   3           H        ALA   3   5.914   1.162  -3.318
   81    HA   ALA   3           HA       ALA   3   3.559   2.549  -4.145
   82   1HB   ALA   3          1HB       ALA   3   6.017   1.572  -5.546
   83   2HB   ALA   3          2HB       ALA   3   5.469   3.226  -5.278
   84   3HB   ALA   3          3HB       ALA   3   4.651   2.207  -6.462
   85    H    GLY   4           H        GLY   4   4.680  -0.759  -4.320
   86   1HA   GLY   4          2HA       GLY   4   2.990  -1.746  -6.317
   87   2HA   GLY   4          1HA       GLY   4   3.640  -2.691  -4.987
   88    H    THR   5           H        THR   5   2.452  -1.688  -2.793
   89    HA   THR   5           HA       THR   5  -0.161  -2.772  -2.952
   90    HB   THR   5           HB       THR   5  -0.310  -1.701  -0.581
   91    HG1  THR   5           1HG      THR   5   1.549  -0.303  -1.089
   92   1HG2  THR   5          1HG2      THR   5   0.104  -3.807  -0.058
   93   2HG2  THR   5          2HG2      THR   5   1.823  -3.408  -0.069
   94   3HG2  THR   5          3HG2      THR   5   1.057  -4.045  -1.525
   95    H    GLN   6           H        GLN   6   1.112   0.498  -2.953
   96    HA   GLN   6           HA       GLN   6  -1.309   1.872  -2.559
   97   1HB   GLN   6          2HB       GLN   6   1.384   2.544  -3.001
   98   2HB   GLN   6          1HB       GLN   6   0.485   3.326  -4.292
   99   1HG   GLN   6          2HG       GLN   6  -0.270   4.886  -2.920
  100   2HG   GLN   6          1HG       GLN   6  -0.850   3.681  -1.771
  101   1HE2  GLN   6          1HE2      GLN   6   2.082   5.342  -2.840
  102   2HE2  GLN   6          2HE2      GLN   6   2.844   5.369  -1.290
  103    H    GLU   7           H        GLU   7   0.179   0.486  -5.405
  104    HA   GLU   7           HA       GLU   7  -1.347   1.786  -7.371
  105   1HB   GLU   7          2HB       GLU   7   0.745   0.335  -7.655
  106   2HB   GLU   7          1HB       GLU   7  -0.348  -1.043  -7.612
  107   1HG   GLU   7          2HG       GLU   7  -1.574  -0.061  -9.529
  108   2HG   GLU   7          1HG       GLU   7  -0.348   1.204  -9.611
  109    H    GLU   8           H        GLU   8  -1.888  -1.313  -5.700
  110    HA   GLU   8           HA       GLU   8  -4.268  -1.952  -7.085
  111   1HB   GLU   8          2HB       GLU   8  -4.639  -3.602  -5.310
  112   2HB   GLU   8          1HB       GLU   8  -2.984  -3.650  -5.900
  113   1HG   GLU   8          2HG       GLU   8  -2.126  -2.741  -3.959
  114   2HG   GLU   8          1HG       GLU   8  -3.669  -2.033  -3.485
  115    H    LEU   9           H        LEU   9  -3.615  -0.073  -4.198
  116    HA   LEU   9           HA       LEU   9  -6.346   0.123  -3.378
  117   1HB   LEU   9          2HB       LEU   9  -3.978   1.855  -2.668
  118   2HB   LEU   9          1HB       LEU   9  -5.531   1.870  -1.852
  119    HG   LEU   9           HG       LEU   9  -3.701  -0.527  -1.959
  120   1HD1  LEU   9          1HD1      LEU   9  -3.828   1.796  -0.131
  121   2HD1  LEU   9          2HD1      LEU   9  -2.463   0.771  -0.578
  122   3HD1  LEU   9          3HD1      LEU   9  -3.641   0.203   0.604
  123   1HD2  LEU   9          1HD2      LEU   9  -5.813  -1.374  -1.557
  124   2HD2  LEU   9          2HD2      LEU   9  -6.333   0.058  -0.669
  125   3HD2  LEU   9          3HD2      LEU   9  -5.216  -1.084   0.077
  126    H    LEU  10           H        LEU  10  -4.106   2.282  -5.087
  127    HA   LEU  10           HA       LEU  10  -5.903   4.424  -5.409
  128   1HB   LEU  10          2HB       LEU  10  -3.325   3.597  -6.612
  129   2HB   LEU  10          1HB       LEU  10  -4.285   4.741  -7.531
  130    HG   LEU  10           HG       LEU  10  -4.238   5.698  -4.875
  131   1HD1  LEU  10          1HD1      LEU  10  -2.363   4.713  -4.089
  132   2HD1  LEU  10          2HD1      LEU  10  -1.589   6.016  -4.988
  133   3HD1  LEU  10          3HD1      LEU  10  -1.713   4.407  -5.700
  134   1HD2  LEU  10          1HD2      LEU  10  -3.691   7.630  -5.902
  135   2HD2  LEU  10          2HD2      LEU  10  -4.081   6.721  -7.361
  136   3HD2  LEU  10          3HD2      LEU  10  -2.402   6.888  -6.848
  137    H    ARG  11           H        ARG  11  -5.089   1.708  -7.547
  138    HA   ARG  11           HA       ARG  11  -6.682   2.468  -9.718
  139   1HB   ARG  11          2HB       ARG  11  -6.480   0.199 -10.493
  140   2HB   ARG  11          1HB       ARG  11  -4.951   0.682  -9.772
  141   1HG   ARG  11          2HG       ARG  11  -5.485  -0.549  -7.754
  142   2HG   ARG  11          1HG       ARG  11  -7.059  -0.990  -8.418
  143   1HD   ARG  11          2HD       ARG  11  -5.828  -2.092 -10.314
  144   2HD   ARG  11          1HD       ARG  11  -4.340  -1.824  -9.408
  145    HE   ARG  11           HE       ARG  11  -4.892  -3.592  -8.076
  146   1HH1  ARG  11          1HH1      ARG  11  -7.776  -2.499  -9.710
  147   2HH1  ARG  11          2HH1      ARG  11  -8.750  -3.812  -9.136
  148   1HH2  ARG  11          1HH2      ARG  11  -6.170  -5.320  -7.321
  149   2HH2  ARG  11          2HH2      ARG  11  -7.838  -5.412  -7.780
  150    H    TRP  12           H        TRP  12  -7.460   0.517  -6.864
  151    HA   TRP  12           HA       TRP  12 -10.061  -0.213  -7.660
  152   1HB   TRP  12          2HB       TRP  12  -8.848  -1.321  -5.819
  153   2HB   TRP  12          1HB       TRP  12  -8.986   0.147  -4.854
  154    HD1  TRP  12           HD       TRP  12 -10.917  -2.927  -5.903
  155    HE1  TRP  12           1HE      TRP  12 -13.179  -2.970  -4.675
  156    HE3  TRP  12           3HE      TRP  12 -10.839   1.771  -3.884
  157    HZ2  TRP  12           2HZ      TRP  12 -14.726  -1.244  -3.065
  158    HZ3  TRP  12           3HZ      TRP  12 -12.750   2.496  -2.513
  159    HH2  TRP  12           HH       TRP  12 -14.652   1.019  -2.115
  160    H    CYS  13           H        CYS  13  -8.855   2.520  -5.753
  161    HA   CYS  13           HA       CYS  13 -11.376   3.624  -5.141
  162   1HB   CYS  13          2HB       CYS  13  -9.088   4.167  -4.103
  163   2HB   CYS  13          1HB       CYS  13  -8.861   5.246  -5.475
  164    HG   CYS  13           HG       CYS  13 -10.465   6.865  -4.503
  165    H    GLN  14           H        GLN  14  -9.083   4.284  -7.770
  166    HA   GLN  14           HA       GLN  14 -10.514   6.375  -8.971
  167   1HB   GLN  14          2HB       GLN  14  -8.136   5.709  -9.460
  168   2HB   GLN  14          1HB       GLN  14  -8.771   4.367 -10.401
  169   1HG   GLN  14          2HG       GLN  14  -9.958   6.896 -11.169
  170   2HG   GLN  14          1HG       GLN  14  -8.201   6.905 -11.321
  171   1HE2  GLN  14          1HE2      GLN  14  -8.298   6.981 -13.560
  172   2HE2  GLN  14          2HE2      GLN  14  -8.754   5.612 -14.511
  173    H    GLU  15           H        GLU  15 -10.672   2.875  -9.437
  174    HA   GLU  15           HA       GLU  15 -12.471   2.926 -11.620
  175   1HB   GLU  15          2HB       GLU  15 -11.076   0.965 -10.979
  176   2HB   GLU  15          1HB       GLU  15 -12.098   0.738  -9.567
  177   1HG   GLU  15          2HG       GLU  15 -13.191  -0.691 -10.895
  178   2HG   GLU  15          1HG       GLU  15 -13.964   0.769 -11.511
  179    H    GLN  16           H        GLN  16 -12.958   2.571  -8.127
  180    HA   GLN  16           HA       GLN  16 -15.797   2.361  -8.315
  181   1HB   GLN  16          2HB       GLN  16 -13.796   2.230  -6.251
  182   2HB   GLN  16          1HB       GLN  16 -15.110   3.278  -5.734
  183   1HG   GLN  16          2HG       GLN  16 -15.530   1.029  -5.008
  184   2HG   GLN  16          1HG       GLN  16 -16.712   1.485  -6.234
  185   1HE2  GLN  16          1HE2      GLN  16 -16.845  -0.967  -6.131
  186   2HE2  GLN  16          2HE2      GLN  16 -15.856  -1.831  -7.254
  187    H    THR  17           H        THR  17 -13.538   4.999  -8.052
  188    HA   THR  17           HA       THR  17 -15.645   6.919  -7.464
  189    HB   THR  17           HB       THR  17 -12.686   7.351  -7.909
  190    HG1  THR  17           1HG      THR  17 -12.651   7.519  -5.628
  191   1HG2  THR  17          1HG2      THR  17 -14.847   9.218  -7.586
  192   2HG2  THR  17          2HG2      THR  17 -13.142   9.511  -7.919
  193   3HG2  THR  17          3HG2      THR  17 -13.696   9.339  -6.256
  194    H    ALA  18           H        ALA  18 -14.887   5.373 -10.162
  195    HA   ALA  18           HA       ALA  18 -14.575   7.572 -11.995
  196   1HB   ALA  18          1HB       ALA  18 -14.689   4.626 -12.190
  197   2HB   ALA  18          2HB       ALA  18 -13.589   5.774 -12.954
  198   3HB   ALA  18          3HB       ALA  18 -15.209   5.533 -13.611
  199    H    GLY  19           H        GLY  19 -16.103   8.417 -13.387
  200   1HA   GLY  19          2HA       GLY  19 -18.403   7.946 -14.363
  201   2HA   GLY  19          1HA       GLY  19 -18.897   7.780 -12.684
  202    H    TYR  20           H        TYR  20 -17.282   9.934 -11.683
  203    HA   TYR  20           HA       TYR  20 -19.077  12.085 -12.153
  204   1HB   TYR  20          2HB       TYR  20 -16.397  12.129 -10.748
  205   2HB   TYR  20          1HB       TYR  20 -17.661  13.349 -10.617
  206    HD1  TYR  20           1HD      TYR  20 -19.511  13.049  -9.146
  207    HD2  TYR  20           2HD      TYR  20 -16.767   9.862  -9.782
  208    HE1  TYR  20           1HE      TYR  20 -20.503  11.825  -7.258
  209    HE2  TYR  20           2HE      TYR  20 -17.751   8.630  -7.896
  210    HH   TYR  20           HH       TYR  20 -20.150   8.659  -6.730
  211    HA   PRO  21           HA       PRO  21 -17.048  13.732 -15.769
  212   1HB   PRO  21          2HB       PRO  21 -18.402  16.082 -15.908
  213   2HB   PRO  21          1HB       PRO  21 -19.105  14.536 -16.398
  214   1HG   PRO  21          2HG       PRO  21 -19.441  16.038 -13.829
  215   2HG   PRO  21          1HG       PRO  21 -20.666  15.214 -14.812
  216   1HD   PRO  21          2HD       PRO  21 -19.606  14.101 -12.588
  217   2HD   PRO  21          1HD       PRO  21 -20.108  13.133 -13.988
  218    H    GLY  22           H        GLY  22 -15.169  13.877 -14.071
  219   1HA   GLY  22          2HA       GLY  22 -13.511  15.862 -14.407
  220   2HA   GLY  22          1HA       GLY  22 -14.642  16.663 -13.326
  221    H    VAL  23           H        VAL  23 -13.616  13.288 -13.198
  222    HA   VAL  23           HA       VAL  23 -12.371  13.865 -10.592
  223    HB   VAL  23           HB       VAL  23 -14.439  12.541 -10.395
  224   1HG1  VAL  23          1HG1      VAL  23 -14.908  10.693 -11.589
  225   2HG1  VAL  23          2HG1      VAL  23 -13.244  10.112 -11.539
  226   3HG1  VAL  23          3HG1      VAL  23 -13.711  11.345 -12.710
  227   1HG2  VAL  23          1HG2      VAL  23 -12.069  12.125  -9.133
  228   2HG2  VAL  23          2HG2      VAL  23 -12.440  10.503  -9.717
  229   3HG2  VAL  23          3HG2      VAL  23 -13.591  11.354  -8.686
  230    H    HIS  24           H        HIS  24 -10.271  13.562 -10.540
  231    HA   HIS  24           HA       HIS  24  -9.062  11.564 -12.336
  232   1HB   HIS  24          2HB       HIS  24  -8.619  14.089 -12.781
  233   2HB   HIS  24          1HB       HIS  24  -7.567  13.987 -11.374
  234    HD1  HIS  24           1HD      HIS  24  -8.016  12.098 -14.654
  235    HD2  HIS  24           2HD      HIS  24  -5.033  13.333 -12.039
  236    HE1  HIS  24           1HE      HIS  24  -5.851  11.399 -15.726
  237    HE2  HIS  24           2HE      HIS  24  -4.062  12.105 -14.098
  238    H    VAL  25           H        VAL  25  -9.597  10.241 -10.345
  239    HA   VAL  25           HA       VAL  25  -8.083  10.641  -7.965
  240    HB   VAL  25           HB       VAL  25  -9.332   8.057  -8.896
  241   1HG1  VAL  25          1HG1      VAL  25  -7.704   8.244  -6.870
  242   2HG1  VAL  25          2HG1      VAL  25  -9.199   7.323  -6.715
  243   3HG1  VAL  25          3HG1      VAL  25  -9.098   8.956  -6.057
  244   1HG2  VAL  25          1HG2      VAL  25 -10.908   9.555  -6.996
  245   2HG2  VAL  25          2HG2      VAL  25 -11.374   8.873  -8.554
  246   3HG2  VAL  25          3HG2      VAL  25 -10.651  10.480  -8.475
  247    H    SER  26           H        SER  26  -5.906  10.782  -8.434
  248    HA   SER  26           HA       SER  26  -4.596   8.242  -8.954
  249   1HB   SER  26          2HB       SER  26  -3.894  10.691 -10.586
  250   2HB   SER  26          1HB       SER  26  -3.169   9.088 -10.718
  251    HG   SER  26           HG       SER  26  -5.297   8.334 -11.314
  252    H    ASP  27           H        ASP  27  -4.947  10.337  -6.794
  253    HA   ASP  27           HA       ASP  27  -2.116  10.476  -6.063
  254   1HB   ASP  27          2HB       ASP  27  -4.020  12.798  -5.696
  255   2HB   ASP  27          1HB       ASP  27  -2.306  12.761  -5.295
  256    H    LEU  28           H        LEU  28  -1.703  10.214  -3.887
  257    HA   LEU  28           HA       LEU  28  -3.999   9.349  -2.292
  258   1HB   LEU  28          2HB       LEU  28  -1.554   8.190  -2.715
  259   2HB   LEU  28          1HB       LEU  28  -1.314   8.980  -1.167
  260    HG   LEU  28           HG       LEU  28  -3.791   7.386  -1.433
  261   1HD1  LEU  28          1HD1      LEU  28  -1.303   5.863  -0.859
  262   2HD1  LEU  28          2HD1      LEU  28  -1.749   6.153  -2.540
  263   3HD1  LEU  28          3HD1      LEU  28  -2.859   5.301  -1.469
  264   1HD2  LEU  28          1HD2      LEU  28  -3.042   8.591   0.628
  265   2HD2  LEU  28          2HD2      LEU  28  -1.692   7.461   0.724
  266   3HD2  LEU  28          3HD2      LEU  28  -3.347   6.869   0.849
  267    H    SER  29           H        SER  29  -3.678  12.123  -2.646
  268    HA   SER  29           HA       SER  29  -3.731  12.981   0.062
  269   1HB   SER  29          2HB       SER  29  -1.265  13.502  -1.550
  270   2HB   SER  29          1HB       SER  29  -1.821  14.732  -0.416
  271    HG   SER  29           HG       SER  29  -0.321  13.173   0.473
  272    H    SER  30           H        SER  30  -2.601  14.774  -2.787
  273    HA   SER  30           HA       SER  30  -4.291  16.948  -2.441
  274   1HB   SER  30          2HB       SER  30  -3.084  15.909  -5.016
  275   2HB   SER  30          1HB       SER  30  -3.749  17.526  -4.781
  276    HG   SER  30           HG       SER  30  -1.549  16.400  -3.383
  277    H    SER  31           H        SER  31  -4.793  13.987  -4.290
  278    HA   SER  31           HA       SER  31  -7.080  14.684  -5.695
  279   1HB   SER  31          2HB       SER  31  -5.748  12.210  -4.914
  280   2HB   SER  31          1HB       SER  31  -7.496  12.023  -5.051
  281    HG   SER  31           HG       SER  31  -5.609  12.459  -7.002
  282    H    TRP  32           H        TRP  32  -6.699  14.064  -2.313
  283    HA   TRP  32           HA       TRP  32  -9.608  13.901  -1.950
  284   1HB   TRP  32          2HB       TRP  32  -7.471  13.489   0.145
  285   2HB   TRP  32          1HB       TRP  32  -9.174  13.057   0.254
  286    HD1  TRP  32           HD       TRP  32  -6.284  12.140  -2.189
  287    HE1  TRP  32           1HE      TRP  32  -6.409   9.609  -2.634
  288    HE3  TRP  32           3HE      TRP  32 -10.356  11.011   0.687
  289    HZ2  TRP  32           2HZ      TRP  32  -8.020   7.423  -1.865
  290    HZ3  TRP  32           3HZ      TRP  32 -11.125   8.676   0.779
  291    HH2  TRP  32           HH       TRP  32  -9.980   6.919  -0.473
  292    H    ALA  33           H        ALA  33  -7.730  16.339  -2.432
  293    HA   ALA  33           HA       ALA  33  -7.722  17.950  -0.152
  294   1HB   ALA  33          1HB       ALA  33  -8.027  19.006  -2.949
  295   2HB   ALA  33          2HB       ALA  33  -6.511  18.338  -2.343
  296   3HB   ALA  33          3HB       ALA  33  -7.220  19.759  -1.575
  297    H    ASP  34           H        ASP  34 -10.071  17.937  -2.845
  298    HA   ASP  34           HA       ASP  34 -11.875  19.608  -1.304
  299   1HB   ASP  34          2HB       ASP  34 -13.320  19.428  -3.375
  300   2HB   ASP  34          1HB       ASP  34 -11.743  20.177  -3.612
  301    H    GLY  35           H        GLY  35 -11.213  16.521  -0.947
  302   1HA   GLY  35          2HA       GLY  35 -12.359  14.763  -0.022
  303   2HA   GLY  35          1HA       GLY  35 -13.695  15.873   0.238
  304    H    LEU  36           H        LEU  36 -12.355  15.212  -2.930
  305    HA   LEU  36           HA       LEU  36 -14.925  14.455  -3.928
  306   1HB   LEU  36          2HB       LEU  36 -12.289  15.065  -5.020
  307   2HB   LEU  36          1HB       LEU  36 -13.086  13.759  -5.877
  308    HG   LEU  36           HG       LEU  36 -13.466  16.026  -6.853
  309   1HD1  LEU  36          1HD1      LEU  36 -16.051  14.854  -5.886
  310   2HD1  LEU  36          2HD1      LEU  36 -15.026  14.012  -7.047
  311   3HD1  LEU  36          3HD1      LEU  36 -15.687  15.600  -7.442
  312   1HD2  LEU  36          1HD2      LEU  36 -13.932  16.760  -4.222
  313   2HD2  LEU  36          2HD2      LEU  36 -15.535  16.767  -4.960
  314   3HD2  LEU  36          3HD2      LEU  36 -14.239  17.740  -5.657
  315    H    ALA  37           H        ALA  37 -12.014  12.748  -2.976
  316    HA   ALA  37           HA       ALA  37 -12.715  10.231  -4.081
  317   1HB   ALA  37          1HB       ALA  37 -10.496  10.234  -3.628
  318   2HB   ALA  37          2HB       ALA  37 -11.054   9.517  -2.117
  319   3HB   ALA  37          3HB       ALA  37 -10.677  11.239  -2.190
  320    H    LEU  38           H        LEU  38 -13.046  11.596  -0.815
  321    HA   LEU  38           HA       LEU  38 -14.257   9.288   0.303
  322   1HB   LEU  38          2HB       LEU  38 -14.425  12.153   1.240
  323   2HB   LEU  38          1HB       LEU  38 -14.811  10.732   2.193
  324    HG   LEU  38           HG       LEU  38 -12.163  10.386   1.251
  325   1HD1  LEU  38          1HD1      LEU  38 -12.726  13.148   2.297
  326   2HD1  LEU  38          2HD1      LEU  38 -11.885  12.689   0.816
  327   3HD1  LEU  38          3HD1      LEU  38 -11.133  12.395   2.382
  328   1HD2  LEU  38          1HD2      LEU  38 -11.837  10.938   3.845
  329   2HD2  LEU  38          2HD2      LEU  38 -12.505   9.412   3.266
  330   3HD2  LEU  38          3HD2      LEU  38 -13.584  10.692   3.826
  331    H    CYS  39           H        CYS  39 -15.581  12.339  -0.944
  332    HA   CYS  39           HA       CYS  39 -18.283  11.731  -0.379
  333   1HB   CYS  39          2HB       CYS  39 -17.048  13.635  -2.374
  334   2HB   CYS  39          1HB       CYS  39 -18.774  13.552  -2.037
  335    HG   CYS  39           HG       CYS  39 -16.760  14.339   0.199
  336    H    ALA  40           H        ALA  40 -16.295  11.308  -3.282
  337    HA   ALA  40           HA       ALA  40 -18.276  10.450  -5.042
  338   1HB   ALA  40          1HB       ALA  40 -15.338   9.870  -4.870
  339   2HB   ALA  40          2HB       ALA  40 -16.194  10.931  -5.988
  340   3HB   ALA  40          3HB       ALA  40 -16.345   9.181  -6.143
  341    H    LEU  41           H        LEU  41 -16.267   8.550  -2.809
  342    HA   LEU  41           HA       LEU  41 -17.281   6.025  -3.538
  343   1HB   LEU  41          2HB       LEU  41 -15.949   7.039  -1.038
  344   2HB   LEU  41          1HB       LEU  41 -16.449   5.367  -1.211
  345    HG   LEU  41           HG       LEU  41 -14.659   6.605  -3.270
  346   1HD1  LEU  41          1HD1      LEU  41 -12.785   6.484  -2.018
  347   2HD1  LEU  41          2HD1      LEU  41 -13.381   5.131  -1.057
  348   3HD1  LEU  41          3HD1      LEU  41 -13.917   6.773  -0.697
  349   1HD2  LEU  41          1HD2      LEU  41 -14.460   3.816  -2.266
  350   2HD2  LEU  41          2HD2      LEU  41 -14.212   4.456  -3.891
  351   3HD2  LEU  41          3HD2      LEU  41 -15.848   4.243  -3.267
  352    H    VAL  42           H        VAL  42 -18.132   8.171  -0.826
  353    HA   VAL  42           HA       VAL  42 -20.124   6.570   0.294
  354    HB   VAL  42           HB       VAL  42 -20.127   9.589   0.264
  355   1HG1  VAL  42          1HG1      VAL  42 -22.175   8.597   1.120
  356   2HG1  VAL  42          2HG1      VAL  42 -21.257   9.345   2.427
  357   3HG1  VAL  42          3HG1      VAL  42 -21.243   7.592   2.229
  358   1HG2  VAL  42          1HG2      VAL  42 -18.980   8.333   2.615
  359   2HG2  VAL  42          2HG2      VAL  42 -18.355   9.646   1.618
  360   3HG2  VAL  42          3HG2      VAL  42 -18.063   7.971   1.152
  361    H    TYR  43           H        TYR  43 -20.299   8.958  -2.305
  362    HA   TYR  43           HA       TYR  43 -23.128   8.930  -2.539
  363   1HB   TYR  43          2HB       TYR  43 -21.756  10.775  -3.405
  364   2HB   TYR  43          1HB       TYR  43 -21.032   9.688  -4.583
  365    HD1  TYR  43           1HD      TYR  43 -21.970   9.510  -6.702
  366    HD2  TYR  43           2HD      TYR  43 -24.346  11.024  -3.513
  367    HE1  TYR  43           1HE      TYR  43 -23.765  10.038  -8.298
  368    HE2  TYR  43           2HE      TYR  43 -26.146  11.557  -5.100
  369    HH   TYR  43           HH       TYR  43 -26.227  12.074  -7.688
  370    H    ARG  44           H        ARG  44 -20.537   7.141  -4.145
  371    HA   ARG  44           HA       ARG  44 -22.124   5.866  -6.083
  372   1HB   ARG  44          2HB       ARG  44 -19.515   5.997  -5.766
  373   2HB   ARG  44          1HB       ARG  44 -19.751   4.491  -4.890
  374   1HG   ARG  44          2HG       ARG  44 -19.445   3.578  -6.915
  375   2HG   ARG  44          1HG       ARG  44 -21.155   3.960  -7.122
  376   1HD   ARG  44          2HD       ARG  44 -20.359   6.211  -8.028
  377   2HD   ARG  44          1HD       ARG  44 -18.762   5.470  -8.128
  378    HE   ARG  44           HE       ARG  44 -19.468   4.259  -9.941
  379   1HH1  ARG  44          1HH1      ARG  44 -22.245   5.650  -8.351
  380   2HH1  ARG  44          2HH1      ARG  44 -23.345   5.211  -9.613
  381   1HH2  ARG  44          1HH2      ARG  44 -20.914   3.678 -11.603
  382   2HH2  ARG  44          2HH2      ARG  44 -22.591   4.090 -11.458
  383    H    LEU  45           H        LEU  45 -21.538   5.176  -2.714
  384    HA   LEU  45           HA       LEU  45 -22.881   2.593  -2.901
  385   1HB   LEU  45          2HB       LEU  45 -21.878   3.887  -0.381
  386   2HB   LEU  45          1HB       LEU  45 -22.151   2.184  -0.695
  387    HG   LEU  45           HG       LEU  45 -20.099   3.577  -2.339
  388   1HD1  LEU  45          1HD1      LEU  45 -20.038   3.647   0.501
  389   2HD1  LEU  45          2HD1      LEU  45 -18.814   4.187  -0.645
  390   3HD1  LEU  45          3HD1      LEU  45 -18.797   2.525  -0.058
  391   1HD2  LEU  45          1HD2      LEU  45 -20.958   1.043  -2.262
  392   2HD2  LEU  45          2HD2      LEU  45 -19.673   0.950  -1.058
  393   3HD2  LEU  45          3HD2      LEU  45 -19.308   1.488  -2.697
  394    H    GLN  46           H        GLN  46 -23.240   5.663  -1.139
  395    HA   GLN  46           HA       GLN  46 -26.110   5.061  -0.863
  396   1HB   GLN  46          2HB       GLN  46 -26.051   6.467   1.208
  397   2HB   GLN  46          1HB       GLN  46 -25.136   4.971   1.330
  398   1HG   GLN  46          2HG       GLN  46 -23.078   6.090   1.170
  399   2HG   GLN  46          1HG       GLN  46 -23.840   7.579   0.614
  400   1HE2  GLN  46          1HE2      GLN  46 -25.456   8.505   2.205
  401   2HE2  GLN  46          2HE2      GLN  46 -24.980   8.515   3.865
  402    HA   PRO  47           HA       PRO  47 -25.447   8.960  -3.361
  403   1HB   PRO  47          2HB       PRO  47 -27.151   8.264  -5.367
  404   2HB   PRO  47          1HB       PRO  47 -25.432   7.856  -5.372
  405   1HG   PRO  47          2HG       PRO  47 -27.780   6.158  -4.638
  406   2HG   PRO  47          1HG       PRO  47 -26.334   5.729  -5.569
  407   1HD   PRO  47          2HD       PRO  47 -26.646   5.065  -2.961
  408   2HD   PRO  47          1HD       PRO  47 -25.059   5.407  -3.676
  409    H    GLY  48           H        GLY  48 -28.248   7.116  -2.347
  410   1HA   GLY  48          2HA       GLY  48 -30.165   9.185  -2.740
  411   2HA   GLY  48          1HA       GLY  48 -30.376   7.752  -1.746
  412    H    LEU  49           H        LEU  49 -27.730   8.726  -0.387
  413    HA   LEU  49           HA       LEU  49 -28.975  10.820   1.268
  414   1HB   LEU  49          2HB       LEU  49 -27.443   8.412   2.247
  415   2HB   LEU  49          1HB       LEU  49 -27.945   9.753   3.258
  416    HG   LEU  49           HG       LEU  49 -29.793   7.868   1.794
  417   1HD1  LEU  49          1HD1      LEU  49 -30.131   6.743   3.755
  418   2HD1  LEU  49          2HD1      LEU  49 -29.660   8.118   4.754
  419   3HD1  LEU  49          3HD1      LEU  49 -28.428   7.165   3.927
  420   1HD2  LEU  49          1HD2      LEU  49 -30.216  10.413   3.249
  421   2HD2  LEU  49          2HD2      LEU  49 -31.372   9.113   3.541
  422   3HD2  LEU  49          3HD2      LEU  49 -31.113   9.711   1.902
  423    H    LEU  50           H        LEU  50 -27.070  11.127  -0.871
  424    HA   LEU  50           HA       LEU  50 -25.007  12.528   0.620
  425   1HB   LEU  50          2HB       LEU  50 -24.498  10.026  -0.565
  426   2HB   LEU  50          1HB       LEU  50 -23.748  11.214  -1.609
  427    HG   LEU  50           HG       LEU  50 -22.212  10.302   0.098
  428   1HD1  LEU  50          1HD1      LEU  50 -22.562  13.150   0.853
  429   2HD1  LEU  50          2HD1      LEU  50 -22.281  12.769  -0.846
  430   3HD1  LEU  50          3HD1      LEU  50 -21.110  12.273   0.374
  431   1HD2  LEU  50          1HD2      LEU  50 -23.997  11.728   2.066
  432   2HD2  LEU  50          2HD2      LEU  50 -22.475  10.919   2.429
  433   3HD2  LEU  50          3HD2      LEU  50 -23.864   9.980   1.886
  434    H    GLU  51           H        GLU  51 -23.802  14.049  -0.691
  435    HA   GLU  51           HA       GLU  51 -24.845  14.643  -3.337
  436   1HB   GLU  51          2HB       GLU  51 -25.223  16.415  -0.941
  437   2HB   GLU  51          1HB       GLU  51 -25.084  17.111  -2.550
  438   1HG   GLU  51          2HG       GLU  51 -27.011  15.863  -3.300
  439   2HG   GLU  51          1HG       GLU  51 -27.122  15.051  -1.738
  440    HA   PRO  52           HA       PRO  52 -20.226  15.168  -2.674
  441   1HB   PRO  52          2HB       PRO  52 -19.710  14.241  -5.240
  442   2HB   PRO  52          1HB       PRO  52 -19.667  13.259  -3.774
  443   1HG   PRO  52          2HG       PRO  52 -21.849  13.558  -5.792
  444   2HG   PRO  52          1HG       PRO  52 -21.295  12.102  -4.944
  445   1HD   PRO  52          2HD       PRO  52 -23.532  13.365  -4.204
  446   2HD   PRO  52          1HD       PRO  52 -22.440  12.656  -2.994
  447    H    SER  53           H        SER  53 -22.097  15.762  -5.653
  448    HA   SER  53           HA       SER  53 -20.472  17.699  -6.780
  449   1HB   SER  53          2HB       SER  53 -22.834  18.577  -7.646
  450   2HB   SER  53          1HB       SER  53 -22.135  17.066  -8.231
  451    HG   SER  53           HG       SER  53 -24.235  17.477  -6.411
  452    H    GLU  54           H        GLU  54 -22.785  17.992  -4.169
  453    HA   GLU  54           HA       GLU  54 -22.903  20.837  -4.170
  454   1HB   GLU  54          2HB       GLU  54 -24.642  19.400  -3.158
  455   2HB   GLU  54          1HB       GLU  54 -23.494  18.907  -1.923
  456   1HG   GLU  54          2HG       GLU  54 -23.343  21.212  -1.136
  457   2HG   GLU  54          1HG       GLU  54 -24.487  21.711  -2.381
  458    H    LEU  55           H        LEU  55 -21.148  18.504  -2.132
  459    HA   LEU  55           HA       LEU  55 -19.679  20.621  -0.822
  460   1HB   LEU  55          2HB       LEU  55 -19.658  17.626  -0.591
  461   2HB   LEU  55          1HB       LEU  55 -18.493  18.628   0.251
  462    HG   LEU  55           HG       LEU  55 -20.248  18.088   1.782
  463   1HD1  LEU  55          1HD1      LEU  55 -19.335  20.419   1.771
  464   2HD1  LEU  55          2HD1      LEU  55 -20.939  20.253   2.486
  465   3HD1  LEU  55          3HD1      LEU  55 -20.762  20.906   0.857
  466   1HD2  LEU  55          1HD2      LEU  55 -21.917  17.613  -0.072
  467   2HD2  LEU  55          2HD2      LEU  55 -22.252  19.344  -0.075
  468   3HD2  LEU  55          3HD2      LEU  55 -22.548  18.392   1.379
  469    H    GLN  56           H        GLN  56 -19.315  18.931  -3.698
  470    HA   GLN  56           HA       GLN  56 -16.571  18.438  -3.810
  471   1HB   GLN  56          2HB       GLN  56 -18.140  17.552  -5.452
  472   2HB   GLN  56          1HB       GLN  56 -18.472  19.175  -6.036
  473   1HG   GLN  56          2HG       GLN  56 -15.722  18.939  -6.241
  474   2HG   GLN  56          1HG       GLN  56 -16.331  17.355  -6.721
  475   1HE2  GLN  56          1HE2      GLN  56 -15.065  18.725  -8.597
  476   2HE2  GLN  56          2HE2      GLN  56 -16.160  19.381  -9.758
  477    H    GLY  57           H        GLY  57 -18.384  21.390  -4.469
  478   1HA   GLY  57          2HA       GLY  57 -15.798  22.757  -4.888
  479   2HA   GLY  57          1HA       GLY  57 -17.300  23.267  -5.642
  480    H    LEU  58           H        LEU  58 -18.768  22.752  -3.072
  481    HA   LEU  58           HA       LEU  58 -18.874  25.311  -2.077
  482   1HB   LEU  58          2HB       LEU  58 -19.837  22.697  -1.266
  483   2HB   LEU  58          1HB       LEU  58 -19.479  23.712   0.119
  484    HG   LEU  58           HG       LEU  58 -20.894  25.498  -1.042
  485   1HD1  LEU  58          1HD1      LEU  58 -22.075  25.040  -2.889
  486   2HD1  LEU  58          2HD1      LEU  58 -22.437  23.394  -2.371
  487   3HD1  LEU  58          3HD1      LEU  58 -20.886  23.758  -3.128
  488   1HD2  LEU  58          1HD2      LEU  58 -23.039  24.066  -0.376
  489   2HD2  LEU  58          2HD2      LEU  58 -21.931  24.730   0.826
  490   3HD2  LEU  58          3HD2      LEU  58 -21.796  23.040   0.340
  491    H    GLY  59           H        GLY  59 -16.704  22.706  -1.159
  492   1HA   GLY  59          2HA       GLY  59 -14.657  24.302  -0.243
  493   2HA   GLY  59          1HA       GLY  59 -15.674  24.025   1.162
  494    H    ALA  60           H        ALA  60 -12.922  23.182   0.662
  495    HA   ALA  60           HA       ALA  60 -12.960  20.351   0.184
  496   1HB   ALA  60          1HB       ALA  60 -10.917  22.393   0.796
  497   2HB   ALA  60          2HB       ALA  60 -10.904  21.095  -0.397
  498   3HB   ALA  60          3HB       ALA  60 -10.550  20.741   1.295
  499    H    LEU  61           H        LEU  61 -12.140  22.301   3.059
  500    HA   LEU  61           HA       LEU  61 -12.047  20.174   4.869
  501   1HB   LEU  61          2HB       LEU  61 -12.881  23.001   5.508
  502   2HB   LEU  61          1HB       LEU  61 -12.181  21.830   6.611
  503    HG   LEU  61           HG       LEU  61 -10.545  22.513   4.243
  504   1HD1  LEU  61          1HD1      LEU  61  -9.696  24.544   5.553
  505   2HD1  LEU  61          2HD1      LEU  61 -11.253  24.489   6.382
  506   3HD1  LEU  61          3HD1      LEU  61 -11.192  24.719   4.634
  507   1HD2  LEU  61          1HD2      LEU  61 -10.100  21.054   6.433
  508   2HD2  LEU  61          2HD2      LEU  61  -9.554  22.623   7.028
  509   3HD2  LEU  61          3HD2      LEU  61  -8.819  21.921   5.586
  510    H    GLU  62           H        GLU  62 -14.737  22.165   3.782
  511    HA   GLU  62           HA       GLU  62 -16.630  21.221   5.668
  512   1HB   GLU  62          2HB       GLU  62 -16.646  22.879   3.249
  513   2HB   GLU  62          1HB       GLU  62 -18.123  21.952   3.474
  514   1HG   GLU  62          2HG       GLU  62 -18.467  24.044   4.503
  515   2HG   GLU  62          1HG       GLU  62 -18.232  22.876   5.801
  516    H    ALA  63           H        ALA  63 -15.732  20.182   2.411
  517    HA   ALA  63           HA       ALA  63 -17.778  18.275   2.066
  518   1HB   ALA  63          1HB       ALA  63 -16.278  19.205   0.277
  519   2HB   ALA  63          2HB       ALA  63 -16.520  17.459   0.222
  520   3HB   ALA  63          3HB       ALA  63 -15.020  18.122   0.869
  521    H    THR  64           H        THR  64 -14.504  18.009   3.392
  522    HA   THR  64           HA       THR  64 -14.530  15.212   3.762
  523    HB   THR  64           HB       THR  64 -12.977  16.874   5.665
  524    HG1  THR  64           1HG      THR  64 -12.628  16.991   2.858
  525   1HG2  THR  64          1HG2      THR  64 -12.277  14.622   3.803
  526   2HG2  THR  64          2HG2      THR  64 -12.447  14.551   5.556
  527   3HG2  THR  64          3HG2      THR  64 -11.119  15.459   4.835
  528    H    ALA  65           H        ALA  65 -15.273  17.896   5.966
  529    HA   ALA  65           HA       ALA  65 -15.854  16.283   8.210
  530   1HB   ALA  65          1HB       ALA  65 -15.327  18.623   8.474
  531   2HB   ALA  65          2HB       ALA  65 -16.939  18.311   9.115
  532   3HB   ALA  65          3HB       ALA  65 -16.751  19.083   7.542
  533    H    TRP  66           H        TRP  66 -17.921  17.685   5.687
  534    HA   TRP  66           HA       TRP  66 -20.376  16.839   6.789
  535   1HB   TRP  66          2HB       TRP  66 -19.797  18.510   4.813
  536   2HB   TRP  66          1HB       TRP  66 -20.060  17.072   3.831
  537    HD1  TRP  66           HD       TRP  66 -21.912  19.568   6.051
  538    HE1  TRP  66           1HE      TRP  66 -24.444  19.285   5.679
  539    HE3  TRP  66           3HE      TRP  66 -21.845  15.356   3.152
  540    HZ2  TRP  66           2HZ      TRP  66 -26.181  17.513   4.335
  541    HZ3  TRP  66           3HZ      TRP  66 -23.985  14.432   2.366
  542    HH2  TRP  66           HH       TRP  66 -26.108  15.489   2.946
  543    H    ALA  67           H        ALA  67 -18.340  15.412   4.242
  544    HA   ALA  67           HA       ALA  67 -19.970  13.154   3.796
  545   1HB   ALA  67          1HB       ALA  67 -17.666  12.213   2.944
  546   2HB   ALA  67          2HB       ALA  67 -17.162  13.892   3.136
  547   3HB   ALA  67          3HB       ALA  67 -18.506  13.490   2.067
  548    H    LEU  68           H        LEU  68 -17.245  13.728   5.969
  549    HA   LEU  68           HA       LEU  68 -16.940  11.063   6.844
  550   1HB   LEU  68          2HB       LEU  68 -15.278  12.914   7.133
  551   2HB   LEU  68          1HB       LEU  68 -16.306  13.573   8.391
  552    HG   LEU  68           HG       LEU  68 -16.022  11.117   9.386
  553   1HD1  LEU  68          1HD1      LEU  68 -13.451  10.699   8.996
  554   2HD1  LEU  68          2HD1      LEU  68 -13.796  11.466   7.446
  555   3HD1  LEU  68          3HD1      LEU  68 -14.666  10.007   7.922
  556   1HD2  LEU  68          1HD2      LEU  68 -15.231  13.566  10.114
  557   2HD2  LEU  68          2HD2      LEU  68 -13.655  12.834   9.819
  558   3HD2  LEU  68          3HD2      LEU  68 -14.761  12.106  10.985
  559    H    LYS  69           H        LYS  69 -18.791  13.792   8.162
  560    HA   LYS  69           HA       LYS  69 -19.724  12.445  10.458
  561   1HB   LYS  69          2HB       LYS  69 -19.881  15.017   9.478
  562   2HB   LYS  69          1HB       LYS  69 -21.548  14.469   9.389
  563   1HG   LYS  69          2HG       LYS  69 -20.249  13.802  11.913
  564   2HG   LYS  69          1HG       LYS  69 -20.318  15.536  11.593
  565   1HD   LYS  69          2HD       LYS  69 -22.838  14.550  10.883
  566   2HD   LYS  69          1HD       LYS  69 -22.423  13.730  12.389
  567   1HE   LYS  69          2HE       LYS  69 -22.014  15.853  13.474
  568   2HE   LYS  69          1HE       LYS  69 -22.295  16.713  11.962
  569   1HZ   LYS  69          1HZ       LYS  69 -24.356  16.911  12.797
  570   2HZ   LYS  69          2HZ       LYS  69 -24.205  15.579  13.827
  571   3HZ   LYS  69          3HZ       LYS  69 -24.567  15.344  12.192
  572    H    VAL  70           H        VAL  70 -21.235  12.993   7.282
  573    HA   VAL  70           HA       VAL  70 -23.612  11.567   7.899
  574    HB   VAL  70           HB       VAL  70 -24.040  11.582   5.471
  575   1HG1  VAL  70          1HG1      VAL  70 -23.226  14.055   6.917
  576   2HG1  VAL  70          2HG1      VAL  70 -24.825  13.529   6.392
  577   3HG1  VAL  70          3HG1      VAL  70 -23.678  14.173   5.217
  578   1HG2  VAL  70          1HG2      VAL  70 -21.167  12.376   5.390
  579   2HG2  VAL  70          2HG2      VAL  70 -22.264  13.009   4.164
  580   3HG2  VAL  70          3HG2      VAL  70 -22.061  11.268   4.350
  581    H    ALA  71           H        ALA  71 -20.603  10.665   6.249
  582    HA   ALA  71           HA       ALA  71 -21.319   8.115   5.400
  583   1HB   ALA  71          1HB       ALA  71 -19.280   8.918   4.594
  584   2HB   ALA  71          2HB       ALA  71 -18.814   7.627   5.702
  585   3HB   ALA  71          3HB       ALA  71 -18.691   9.312   6.209
  586    H    GLU  72           H        GLU  72 -19.943   9.160   8.494
  587    HA   GLU  72           HA       GLU  72 -19.895   6.558   9.639
  588   1HB   GLU  72          2HB       GLU  72 -19.373   7.658  11.721
  589   2HB   GLU  72          1HB       GLU  72 -18.474   8.439  10.427
  590   1HG   GLU  72          2HG       GLU  72 -19.887  10.326  10.455
  591   2HG   GLU  72          1HG       GLU  72 -21.082   9.509  11.463
  592    H    ASN  73           H        ASN  73 -22.211   9.197   9.607
  593    HA   ASN  73           HA       ASN  73 -23.961   8.112  11.555
  594   1HB   ASN  73          2HB       ASN  73 -23.964  10.373   9.686
  595   2HB   ASN  73          1HB       ASN  73 -25.563   9.715  10.018
  596   1HD2  ASN  73          1HD2      ASN  73 -25.853  11.874  10.956
  597   2HD2  ASN  73          2HD2      ASN  73 -25.391  12.121  12.603
  598    H    GLU  74           H        GLU  74 -23.865   7.938   8.023
  599    HA   GLU  74           HA       GLU  74 -26.310   6.427   7.874
  600   1HB   GLU  74          2HB       GLU  74 -24.546   7.781   6.035
  601   2HB   GLU  74          1HB       GLU  74 -24.945   6.176   5.435
  602   1HG   GLU  74          2HG       GLU  74 -26.583   7.561   4.536
  603   2HG   GLU  74          1HG       GLU  74 -27.371   6.785   5.909
  604    H    LEU  75           H        LEU  75 -22.850   5.692   7.537
  605    HA   LEU  75           HA       LEU  75 -23.455   2.881   7.107
  606   1HB   LEU  75          2HB       LEU  75 -21.516   4.436   6.096
  607   2HB   LEU  75          1HB       LEU  75 -20.658   3.773   7.475
  608    HG   LEU  75           HG       LEU  75 -20.284   2.495   5.392
  609   1HD1  LEU  75          1HD1      LEU  75 -20.160   1.462   7.660
  610   2HD1  LEU  75          2HD1      LEU  75 -20.527   0.329   6.360
  611   3HD1  LEU  75          3HD1      LEU  75 -21.811   0.890   7.429
  612   1HD2  LEU  75          1HD2      LEU  75 -22.626   2.899   4.528
  613   2HD2  LEU  75          2HD2      LEU  75 -23.151   1.618   5.619
  614   3HD2  LEU  75          3HD2      LEU  75 -21.999   1.263   4.333
  615    H    GLY  76           H        GLY  76 -22.147   4.959   9.623
  616   1HA   GLY  76          2HA       GLY  76 -22.242   4.449  11.926
  617   2HA   GLY  76          1HA       GLY  76 -22.456   2.755  11.516
  618    H    ILE  77           H        ILE  77 -19.942   4.639  10.026
  619    HA   ILE  77           HA       ILE  77 -17.950   2.977  11.389
  620    HB   ILE  77           HB       ILE  77 -17.532   4.768   8.994
  621   1HG1  ILE  77          2HG1      ILE  77 -17.785   1.777   8.858
  622   2HG1  ILE  77          1HG1      ILE  77 -19.220   2.795   8.790
  623   1HG2  ILE  77          1HG2      ILE  77 -15.627   2.977   8.738
  624   2HG2  ILE  77          2HG2      ILE  77 -15.853   2.808  10.478
  625   3HG2  ILE  77          3HG2      ILE  77 -15.422   4.375   9.793
  626   1HD1  ILE  77          1HD1      ILE  77 -17.561   2.050   6.682
  627   2HD1  ILE  77          2HD1      ILE  77 -17.225   3.758   6.966
  628   3HD1  ILE  77          3HD1      ILE  77 -18.876   3.224   6.650
  629    H    THR  78           H        THR  78 -16.696   3.791  12.931
  630    HA   THR  78           HA       THR  78 -16.898   6.535  13.698
  631    HB   THR  78           HB       THR  78 -16.626   4.777  15.370
  632    HG1  THR  78           1HG      THR  78 -14.317   6.416  15.319
  633   1HG2  THR  78          1HG2      THR  78 -13.877   4.375  14.218
  634   2HG2  THR  78          2HG2      THR  78 -15.207   3.219  14.172
  635   3HG2  THR  78          3HG2      THR  78 -14.483   3.669  15.715
  636    HA   PRO  79           HA       PRO  79 -13.752   8.283  11.095
  637   1HB   PRO  79          2HB       PRO  79 -13.310  10.092  13.415
  638   2HB   PRO  79          1HB       PRO  79 -13.637  10.489  11.725
  639   1HG   PRO  79          2HG       PRO  79 -15.531  10.762  13.576
  640   2HG   PRO  79          1HG       PRO  79 -15.922  10.165  11.952
  641   1HD   PRO  79          2HD       PRO  79 -15.657   8.655  14.516
  642   2HD   PRO  79          1HD       PRO  79 -16.793   8.413  13.175
  643    H    VAL  80           H        VAL  80 -11.559   8.151  10.858
  644    HA   VAL  80           HA       VAL  80 -10.046   7.115  13.166
  645    HB   VAL  80           HB       VAL  80  -9.477   6.525  10.260
  646   1HG1  VAL  80          1HG1      VAL  80  -8.187   5.825  12.836
  647   2HG1  VAL  80          2HG1      VAL  80  -7.472   6.117  11.250
  648   3HG1  VAL  80          3HG1      VAL  80  -8.253   4.574  11.593
  649   1HG2  VAL  80          1HG2      VAL  80 -10.584   4.527  12.196
  650   2HG2  VAL  80          2HG2      VAL  80 -10.590   4.496  10.433
  651   3HG2  VAL  80          3HG2      VAL  80 -11.663   5.595  11.299
  652    H    VAL  81           H        VAL  81 -10.126   9.382  10.522
  653    HA   VAL  81           HA       VAL  81  -7.703  10.646  11.594
  654    HB   VAL  81           HB       VAL  81  -8.244  10.403   8.634
  655   1HG1  VAL  81          1HG1      VAL  81  -5.932  11.477  10.239
  656   2HG1  VAL  81          2HG1      VAL  81  -6.974  12.355   9.118
  657   3HG1  VAL  81          3HG1      VAL  81  -5.848  11.142   8.509
  658   1HG2  VAL  81          1HG2      VAL  81  -6.652   8.683   8.482
  659   2HG2  VAL  81          2HG2      VAL  81  -7.678   8.229   9.843
  660   3HG2  VAL  81          3HG2      VAL  81  -6.090   8.941  10.133
  661    H    SER  82           H        SER  82  -7.505  12.929  11.026
  662    HA   SER  82           HA       SER  82 -10.099  14.221  11.075
  663   1HB   SER  82          2HB       SER  82  -7.840  14.785  12.405
  664   2HB   SER  82          1HB       SER  82  -7.601  15.833  11.006
  665    HG   SER  82           HG       SER  82  -8.724  16.951  12.602
  666    H    ALA  83           H        ALA  83 -10.646  16.004   9.681
  667    HA   ALA  83           HA       ALA  83 -10.315  15.428   6.951
  668   1HB   ALA  83          1HB       ALA  83 -12.272  16.572   7.524
  669   2HB   ALA  83          2HB       ALA  83 -11.307  17.768   6.659
  670   3HB   ALA  83          3HB       ALA  83 -11.393  17.811   8.419
  671    H    GLN  84           H        GLN  84  -8.794  17.872   9.022
  672    HA   GLN  84           HA       GLN  84  -7.380  19.277   7.090
  673   1HB   GLN  84          2HB       GLN  84  -6.941  18.744   9.999
  674   2HB   GLN  84          1HB       GLN  84  -5.676  19.547   9.078
  675   1HG   GLN  84          2HG       GLN  84  -8.432  20.603   8.829
  676   2HG   GLN  84          1HG       GLN  84  -7.578  20.881  10.347
  677   1HE2  GLN  84          1HE2      GLN  84  -5.853  22.267  10.398
  678   2HE2  GLN  84          2HE2      GLN  84  -5.415  23.284   9.071
  679    H    ALA  85           H        ALA  85  -6.593  16.248   8.704
  680    HA   ALA  85           HA       ALA  85  -3.940  16.037   7.719
  681   1HB   ALA  85          1HB       ALA  85  -3.898  13.911   8.664
  682   2HB   ALA  85          2HB       ALA  85  -5.628  13.667   8.431
  683   3HB   ALA  85          3HB       ALA  85  -5.055  14.781   9.672
  684    H    VAL  86           H        VAL  86  -7.051  14.756   6.593
  685    HA   VAL  86           HA       VAL  86  -5.988  13.282   4.421
  686    HB   VAL  86           HB       VAL  86  -8.774  14.422   4.620
  687   1HG1  VAL  86          1HG1      VAL  86  -8.853  13.515   2.565
  688   2HG1  VAL  86          2HG1      VAL  86  -8.988  11.989   3.440
  689   3HG1  VAL  86          3HG1      VAL  86  -7.420  12.524   2.835
  690   1HG2  VAL  86          1HG2      VAL  86  -9.095  11.912   5.469
  691   2HG2  VAL  86          2HG2      VAL  86  -8.784  13.256   6.568
  692   3HG2  VAL  86          3HG2      VAL  86  -7.462  12.199   6.072
  693    H    VAL  87           H        VAL  87  -7.591  16.462   4.560
  694    HA   VAL  87           HA       VAL  87  -7.331  17.055   1.823
  695    HB   VAL  87           HB       VAL  87  -7.473  19.007   4.127
  696   1HG1  VAL  87          1HG1      VAL  87  -7.154  20.520   2.512
  697   2HG1  VAL  87          2HG1      VAL  87  -8.784  20.110   1.975
  698   3HG1  VAL  87          3HG1      VAL  87  -7.388  19.330   1.231
  699   1HG2  VAL  87          1HG2      VAL  87  -9.734  17.892   2.474
  700   2HG2  VAL  87          2HG2      VAL  87  -9.857  18.979   3.858
  701   3HG2  VAL  87          3HG2      VAL  87  -9.305  17.320   4.087
  702    H    ALA  88           H        ALA  88  -5.189  17.587   4.564
  703    HA   ALA  88           HA       ALA  88  -3.306  19.120   2.994
  704   1HB   ALA  88          1HB       ALA  88  -1.967  19.181   5.036
  705   2HB   ALA  88          2HB       ALA  88  -3.077  18.045   5.802
  706   3HB   ALA  88          3HB       ALA  88  -3.636  19.656   5.349
  707    H    GLY  89           H        GLY  89  -3.930  15.823   3.515
  708   1HA   GLY  89          2HA       GLY  89  -2.816  13.928   2.855
  709   2HA   GLY  89          1HA       GLY  89  -1.810  14.976   1.867
  710    H    SER  90           H        SER  90  -2.027  15.390   5.319
  711    HA   SER  90           HA       SER  90   0.803  14.671   5.532
  712   1HB   SER  90          2HB       SER  90  -0.224  16.920   6.350
  713   2HB   SER  90          1HB       SER  90  -0.782  15.972   7.728
  714    HG   SER  90           HG       SER  90   1.626  16.997   7.318
  715    H    ASP  91           H        ASP  91  -1.289  12.649   5.372
  716    HA   ASP  91           HA       ASP  91  -0.467  11.048   7.605
  717   1HB   ASP  91          2HB       ASP  91  -3.141  12.325   7.571
  718   2HB   ASP  91          1HB       ASP  91  -3.106  10.616   7.993
  719    HA   PRO  92           HA       PRO  92  -1.443   8.913   3.539
  720   1HB   PRO  92          2HB       PRO  92   0.872   7.429   3.593
  721   2HB   PRO  92          1HB       PRO  92   0.711   8.992   2.786
  722   1HG   PRO  92          2HG       PRO  92   1.848   8.356   5.479
  723   2HG   PRO  92          1HG       PRO  92   2.447   9.484   4.247
  724   1HD   PRO  92          2HD       PRO  92   1.097  10.341   6.404
  725   2HD   PRO  92          1HD       PRO  92   0.910  11.120   4.818
  726    H    LEU  93           H        LEU  93   0.001   7.642   6.526
  727    HA   LEU  93           HA       LEU  93  -0.759   4.974   6.231
  728   1HB   LEU  93          2HB       LEU  93  -0.703   6.350   8.897
  729   2HB   LEU  93          1HB       LEU  93  -0.264   4.698   8.510
  730    HG   LEU  93           HG       LEU  93   1.521   6.217   7.019
  731   1HD1  LEU  93          1HD1      LEU  93   1.055   7.477   9.712
  732   2HD1  LEU  93          2HD1      LEU  93   0.993   8.254   8.130
  733   3HD1  LEU  93          3HD1      LEU  93   2.533   7.686   8.775
  734   1HD2  LEU  93          1HD2      LEU  93   3.129   5.493   8.864
  735   2HD2  LEU  93          2HD2      LEU  93   2.223   4.225   8.036
  736   3HD2  LEU  93          3HD2      LEU  93   1.723   4.765   9.639
  737    H    GLY  94           H        GLY  94  -2.533   7.751   7.460
  738   1HA   GLY  94          2HA       GLY  94  -4.746   6.239   8.457
  739   2HA   GLY  94          1HA       GLY  94  -4.710   7.975   8.189
  740    H    LEU  95           H        LEU  95  -4.076   7.912   5.418
  741    HA   LEU  95           HA       LEU  95  -6.638   7.746   4.308
  742   1HB   LEU  95          2HB       LEU  95  -4.018   8.491   3.453
  743   2HB   LEU  95          1HB       LEU  95  -4.718   7.443   2.233
  744    HG   LEU  95           HG       LEU  95  -6.711   9.330   2.964
  745   1HD1  LEU  95          1HD1      LEU  95  -4.490  10.527   3.708
  746   2HD1  LEU  95          2HD1      LEU  95  -5.760  11.403   2.853
  747   3HD1  LEU  95          3HD1      LEU  95  -4.341  10.830   1.977
  748   1HD2  LEU  95          1HD2      LEU  95  -6.557   8.247   0.808
  749   2HD2  LEU  95          2HD2      LEU  95  -5.008   9.029   0.494
  750   3HD2  LEU  95          3HD2      LEU  95  -6.479   9.997   0.602
  751    H    ILE  96           H        ILE  96  -3.920   5.477   4.187
  752    HA   ILE  96           HA       ILE  96  -5.172   3.613   2.457
  753    HB   ILE  96           HB       ILE  96  -3.007   3.052   4.488
  754   1HG1  ILE  96          2HG1      ILE  96  -2.431   4.939   2.986
  755   2HG1  ILE  96          1HG1      ILE  96  -1.409   3.529   2.719
  756   1HG2  ILE  96          1HG2      ILE  96  -2.491   1.430   2.405
  757   2HG2  ILE  96          2HG2      ILE  96  -4.251   1.511   2.302
  758   3HG2  ILE  96          3HG2      ILE  96  -3.477   0.958   3.788
  759   1HD1  ILE  96          1HD1      ILE  96  -3.830   4.081   1.042
  760   2HD1  ILE  96          2HD1      ILE  96  -2.472   3.011   0.697
  761   3HD1  ILE  96          3HD1      ILE  96  -2.247   4.760   0.671
  762    H    ALA  97           H        ALA  97  -4.834   3.752   5.993
  763    HA   ALA  97           HA       ALA  97  -6.123   1.341   6.583
  764   1HB   ALA  97          1HB       ALA  97  -4.825   3.123   8.073
  765   2HB   ALA  97          2HB       ALA  97  -5.948   1.952   8.763
  766   3HB   ALA  97          3HB       ALA  97  -6.476   3.607   8.460
  767    H    TYR  98           H        TYR  98  -7.417   4.610   6.168
  768    HA   TYR  98           HA       TYR  98 -10.086   3.946   6.869
  769   1HB   TYR  98          2HB       TYR  98  -8.783   6.284   6.523
  770   2HB   TYR  98          1HB       TYR  98  -9.633   6.188   4.985
  771    HD1  TYR  98           1HD      TYR  98 -10.320   5.746   8.633
  772    HD2  TYR  98           2HD      TYR  98 -11.739   7.123   4.866
  773    HE1  TYR  98           1HE      TYR  98 -12.359   6.593   9.717
  774    HE2  TYR  98           2HE      TYR  98 -13.782   7.972   5.940
  775    HH   TYR  98           HH       TYR  98 -14.105   8.497   9.125
  776    H    LEU  99           H        LEU  99  -8.447   4.356   3.741
  777    HA   LEU  99           HA       LEU  99 -10.639   3.862   2.089
  778   1HB   LEU  99          2HB       LEU  99  -8.135   4.584   1.604
  779   2HB   LEU  99          1HB       LEU  99  -7.947   2.871   1.284
  780    HG   LEU  99           HG       LEU  99 -10.136   4.415  -0.059
  781   1HD1  LEU  99          1HD1      LEU  99  -8.782   5.292  -1.671
  782   2HD1  LEU  99          2HD1      LEU  99  -7.522   4.082  -1.430
  783   3HD1  LEU  99          3HD1      LEU  99  -7.702   5.410  -0.283
  784   1HD2  LEU  99          1HD2      LEU  99 -10.092   2.683  -1.634
  785   2HD2  LEU  99          2HD2      LEU  99  -9.908   1.872  -0.079
  786   3HD2  LEU  99          3HD2      LEU  99  -8.501   2.128  -1.111
  787    H    SER 100           H        SER 100  -8.320   1.622   3.546
  788    HA   SER 100           HA       SER 100  -9.202  -0.714   2.263
  789   1HB   SER 100          2HB       SER 100  -7.082  -0.377   3.657
  790   2HB   SER 100          1HB       SER 100  -8.103  -0.639   5.071
  791    HG   SER 100           HG       SER 100  -8.596  -2.688   4.289
  792    H    HIS 101           H        HIS 101 -10.316   0.933   5.164
  793    HA   HIS 101           HA       HIS 101 -12.058  -1.122   6.054
  794   1HB   HIS 101          2HB       HIS 101 -11.146   1.194   7.144
  795   2HB   HIS 101          1HB       HIS 101 -12.786   1.664   6.711
  796    HD1  HIS 101           1HD      HIS 101 -11.866  -1.781   7.930
  797    HD2  HIS 101           2HD      HIS 101 -13.810   1.637   9.271
  798    HE1  HIS 101           1HE      HIS 101 -12.950  -2.433  10.102
  799    HE2  HIS 101           2HE      HIS 101 -14.050  -0.326  10.938
  800    H    PHE 102           H        PHE 102 -12.517   1.743   4.030
  801    HA   PHE 102           HA       PHE 102 -15.316   1.521   3.760
  802   1HB   PHE 102          2HB       PHE 102 -13.145   3.017   2.425
  803   2HB   PHE 102          1HB       PHE 102 -14.589   2.754   1.454
  804    HD1  PHE 102           1HD      PHE 102 -16.735   2.936   3.404
  805    HD2  PHE 102           2HD      PHE 102 -13.168   5.231   3.060
  806    HE1  PHE 102           1HE      PHE 102 -17.841   4.819   4.538
  807    HE2  PHE 102           2HE      PHE 102 -14.268   7.118   4.195
  808    HZ   PHE 102           HZ       PHE 102 -16.607   6.913   4.936
  809    H    HIS 103           H        HIS 103 -12.651   0.368   1.717
  810    HA   HIS 103           HA       HIS 103 -14.291  -0.802  -0.266
  811   1HB   HIS 103          2HB       HIS 103 -11.977  -0.271  -0.741
  812   2HB   HIS 103          1HB       HIS 103 -11.426  -1.367   0.520
  813    HD1  HIS 103           1HD      HIS 103 -10.036  -2.367  -1.598
  814    HD2  HIS 103           2HD      HIS 103 -14.138  -3.024  -1.557
  815    HE1  HIS 103           1HE      HIS 103 -10.430  -4.256  -3.210
  816    HE2  HIS 103           2HE      HIS 103 -12.905  -4.704  -3.089
  817    H    SER 104           H        SER 104 -12.536  -2.250   2.476
  818    HA   SER 104           HA       SER 104 -13.436  -4.879   2.052
  819   1HB   SER 104          2HB       SER 104 -12.648  -5.332   4.314
  820   2HB   SER 104          1HB       SER 104 -11.495  -4.293   3.476
  821    HG   SER 104           HG       SER 104 -12.527  -3.825   5.782
  822    H    ALA 105           H        ALA 105 -14.729  -2.261   4.058
  823    HA   ALA 105           HA       ALA 105 -16.767  -3.783   5.283
  824   1HB   ALA 105          1HB       ALA 105 -16.060  -1.696   6.248
  825   2HB   ALA 105          2HB       ALA 105 -17.771  -1.586   5.836
  826   3HB   ALA 105          3HB       ALA 105 -16.565  -0.814   4.806
  827    H    PHE 106           H        PHE 106 -16.764  -1.723   2.391
  828    HA   PHE 106           HA       PHE 106 -19.543  -2.309   1.858
  829   1HB   PHE 106          2HB       PHE 106 -17.449  -0.606   0.576
  830   2HB   PHE 106          1HB       PHE 106 -18.868  -1.058  -0.360
  831    HD1  PHE 106           1HD      PHE 106 -17.540   1.136   2.132
  832    HD2  PHE 106           2HD      PHE 106 -21.149  -0.484   0.569
  833    HE1  PHE 106           1HE      PHE 106 -18.809   2.960   3.185
  834    HE2  PHE 106           2HE      PHE 106 -22.426   1.338   1.618
  835    HZ   PHE 106           HZ       PHE 106 -21.256   3.065   2.928
  836    H    LYS 107           H        LYS 107 -16.865  -4.130   1.535
  837    HA   LYS 107           HA       LYS 107 -17.366  -5.159  -1.125
  838   1HB   LYS 107          2HB       LYS 107 -15.219  -5.292   0.804
  839   2HB   LYS 107          1HB       LYS 107 -15.628  -6.903   0.230
  840   1HG   LYS 107          2HG       LYS 107 -15.230  -4.679  -1.723
  841   2HG   LYS 107          1HG       LYS 107 -13.840  -5.505  -1.017
  842   1HD   LYS 107          2HD       LYS 107 -14.370  -7.524  -2.016
  843   2HD   LYS 107          1HD       LYS 107 -16.071  -7.099  -2.209
  844   1HE   LYS 107          2HE       LYS 107 -14.818  -5.193  -3.721
  845   2HE   LYS 107          1HE       LYS 107 -13.793  -6.603  -3.976
  846   1HZ   LYS 107          1HZ       LYS 107 -15.433  -7.718  -5.049
  847   2HZ   LYS 107          2HZ       LYS 107 -15.925  -6.146  -5.432
  848   3HZ   LYS 107          3HZ       LYS 107 -16.682  -6.984  -4.174
  849    H    SER 108           H        SER 108 -18.092  -5.969   2.188
  850    HA   SER 108           HA       SER 108 -19.208  -8.553   1.387
  851   1HB   SER 108          2HB       SER 108 -18.355  -7.343   3.975
  852   2HB   SER 108          1HB       SER 108 -19.642  -8.548   4.018
  853    HG   SER 108           HG       SER 108 -18.134  -9.867   2.711
  854    H    MET 109           H        MET 109 -20.515  -6.238   0.441
  855    HA   MET 109           HA       MET 109 -22.870  -5.897   2.124
  856   1HB   MET 109          2HB       MET 109 -21.654  -4.025   0.808
  857   2HB   MET 109          1HB       MET 109 -22.495  -4.673  -0.595
  858   1HG   MET 109          2HG       MET 109 -23.963  -3.059   0.046
  859   2HG   MET 109          1HG       MET 109 -24.598  -4.429   0.955
  860   1HE   MET 109          1HE       MET 109 -23.733  -0.461   2.277
  861   2HE   MET 109          2HE       MET 109 -25.311  -1.230   2.439
  862   3HE   MET 109          3HE       MET 109 -24.485  -1.235   0.882
  Start of MODEL   19
    1   1H    MET  -8          1HT       MET  -8  25.297  -6.923  -6.308
    2   2H    MET  -8          2HT       MET  -8  25.757  -6.679  -7.945
    3   3H    MET  -8          3HT       MET  -8  25.792  -8.255  -7.266
    4    HA   MET  -8           HA       MET  -8  23.466  -6.585  -7.912
    5   1HB   MET  -8          2HB       MET  -8  22.908  -8.424  -9.369
    6   2HB   MET  -8          1HB       MET  -8  24.569  -7.944  -9.689
    7   1HG   MET  -8          2HG       MET  -8  25.394  -9.823  -8.412
    8   2HG   MET  -8          1HG       MET  -8  23.748 -10.278  -7.975
    9   1HE   MET  -8          1HE       MET  -8  23.244 -12.186  -8.552
   10   2HE   MET  -8          2HE       MET  -8  24.298 -13.132  -9.602
   11   3HE   MET  -8          3HE       MET  -8  22.700 -12.642 -10.166
   12    H    GLY  -7           H        GLY  -7  24.683  -9.309  -6.037
   13   1HA   GLY  -7          2HA       GLY  -7  22.166  -9.281  -4.519
   14   2HA   GLY  -7          1HA       GLY  -7  22.766 -10.809  -5.146
   15    H    HIS  -6           H        HIS  -6  22.705  -8.815  -2.497
   16    HA   HIS  -6           HA       HIS  -6  24.814 -10.368  -1.212
   17   1HB   HIS  -6          2HB       HIS  -6  24.887  -7.436  -1.674
   18   2HB   HIS  -6          1HB       HIS  -6  25.387  -7.999  -0.083
   19    HD1  HIS  -6           1HD      HIS  -6  27.210 -10.157  -0.356
   20    HD2  HIS  -6           2HD      HIS  -6  26.982  -7.293  -3.358
   21    HE1  HIS  -6           1HE      HIS  -6  29.376 -10.335  -1.620
   22    HE2  HIS  -6           2HE      HIS  -6  29.251  -8.536  -3.379
   23    H    HIS  -5           H        HIS  -5  22.594  -7.642  -0.587
   24    HA   HIS  -5           HA       HIS  -5  21.785  -8.997   1.899
   25   1HB   HIS  -5          2HB       HIS  -5  22.859  -6.636   1.933
   26   2HB   HIS  -5          1HB       HIS  -5  21.298  -6.084   1.335
   27    HD1  HIS  -5           1HD      HIS  -5  19.742  -8.266   3.178
   28    HD2  HIS  -5           2HD      HIS  -5  22.455  -5.365   4.400
   29    HE1  HIS  -5           1HE      HIS  -5  19.235  -7.853   5.606
   30    HE2  HIS  -5           2HE      HIS  -5  20.836  -6.036   6.302
   31    H    HIS  -4           H        HIS  -4  20.623  -9.943  -0.367
   32    HA   HIS  -4           HA       HIS  -4  18.606 -10.425  -1.299
   33   1HB   HIS  -4          2HB       HIS  -4  17.594  -8.972   1.152
   34   2HB   HIS  -4          1HB       HIS  -4  16.573  -9.887   0.047
   35    HD1  HIS  -4           1HD      HIS  -4  18.391 -10.244   3.112
   36    HD2  HIS  -4           2HD      HIS  -4  17.491 -12.738  -0.088
   37    HE1  HIS  -4           1HE      HIS  -4  18.731 -12.584   3.969
   38    HE2  HIS  -4           2HE      HIS  -4  18.264 -14.072   1.990
   39    H    HIS  -3           H        HIS  -3  16.776  -9.499  -2.456
   40    HA   HIS  -3           HA       HIS  -3  16.889  -6.592  -2.803
   41   1HB   HIS  -3          2HB       HIS  -3  18.316  -7.672  -4.546
   42   2HB   HIS  -3          1HB       HIS  -3  16.895  -8.540  -5.117
   43    HD1  HIS  -3           1HD      HIS  -3  16.225  -5.073  -4.106
   44    HD2  HIS  -3           2HD      HIS  -3  17.318  -7.087  -7.573
   45    HE1  HIS  -3           1HE      HIS  -3  15.799  -3.458  -5.985
   46    HE2  HIS  -3           2HE      HIS  -3  16.546  -4.668  -8.065
   47    H    HIS  -2           H        HIS  -2  14.922  -5.773  -2.612
   48    HA   HIS  -2           HA       HIS  -2  12.612  -7.497  -3.210
   49   1HB   HIS  -2          2HB       HIS  -2  12.968  -6.555  -0.847
   50   2HB   HIS  -2          1HB       HIS  -2  12.527  -4.994  -1.534
   51    HD1  HIS  -2           1HD      HIS  -2  10.759  -8.044  -2.739
   52    HD2  HIS  -2           2HD      HIS  -2  10.156  -4.964  -0.017
   53    HE1  HIS  -2           1HE      HIS  -2   8.333  -8.186  -2.089
   54    HE2  HIS  -2           2HE      HIS  -2   8.015  -6.370  -0.373
   55    H    HIS  -1           H        HIS  -1  14.117  -4.411  -3.837
   56    HA   HIS  -1           HA       HIS  -1  13.778  -2.848  -5.452
   57   1HB   HIS  -1          2HB       HIS  -1  12.927  -5.273  -6.613
   58   2HB   HIS  -1          1HB       HIS  -1  11.701  -4.080  -7.024
   59    HD1  HIS  -1           1HD      HIS  -1  13.858  -1.691  -7.183
   60    HD2  HIS  -1           2HD      HIS  -1  13.981  -5.327  -9.192
   61    HE1  HIS  -1           1HE      HIS  -1  15.305  -1.296  -9.202
   62    HE2  HIS  -1           2HE      HIS  -1  15.297  -3.487 -10.445
   63    H    MET   0           H        MET   0  10.531  -4.294  -5.424
   64    HA   MET   0           HA       MET   0   9.472  -1.669  -4.630
   65   1HB   MET   0          2HB       MET   0   8.432  -3.880  -6.339
   66   2HB   MET   0          1HB       MET   0   7.267  -2.905  -5.453
   67   1HG   MET   0          2HG       MET   0   9.364  -1.732  -7.255
   68   2HG   MET   0          1HG       MET   0   7.749  -2.175  -7.803
   69   1HE   MET   0          1HE       MET   0   8.843   0.238  -8.429
   70   2HE   MET   0          2HE       MET   0   8.806   1.631  -7.347
   71   3HE   MET   0          3HE       MET   0   7.364   1.184  -8.260
   72    H    GLY   1           H        GLY   1   7.096  -2.125  -3.613
   73   1HA   GLY   1          2HA       GLY   1   6.419  -4.187  -2.019
   74   2HA   GLY   1          1HA       GLY   1   7.693  -3.413  -1.089
   75    H    SER   2           H        SER   2   7.350  -0.871  -1.080
   76    HA   SER   2           HA       SER   2   4.876  -0.464   0.307
   77   1HB   SER   2          2HB       SER   2   7.322   0.657   0.549
   78   2HB   SER   2          1HB       SER   2   6.523   1.890  -0.426
   79    HG   SER   2           HG       SER   2   5.504   0.832   2.003
   80    H    ALA   3           H        ALA   3   6.317   1.325  -2.424
   81    HA   ALA   3           HA       ALA   3   3.974   2.648  -3.176
   82   1HB   ALA   3          1HB       ALA   3   6.214   1.887  -5.039
   83   2HB   ALA   3          2HB       ALA   3   6.307   3.221  -3.888
   84   3HB   ALA   3          3HB       ALA   3   5.108   3.254  -5.181
   85    H    GLY   4           H        GLY   4   5.135  -0.557  -3.925
   86   1HA   GLY   4          2HA       GLY   4   3.549  -1.106  -6.177
   87   2HA   GLY   4          1HA       GLY   4   4.186  -2.308  -5.065
   88    H    THR   5           H        THR   5   2.868  -1.504  -2.723
   89    HA   THR   5           HA       THR   5   0.321  -2.721  -3.154
   90    HB   THR   5           HB       THR   5   0.094  -1.911  -0.631
   91    HG1  THR   5           1HG      THR   5   2.164  -1.735   0.297
   92   1HG2  THR   5          1HG2      THR   5   1.982  -4.072  -1.527
   93   2HG2  THR   5          2HG2      THR   5   0.261  -4.238  -1.186
   94   3HG2  THR   5          3HG2      THR   5   1.387  -3.868   0.120
   95    H    GLN   6           H        GLN   6   1.469   0.551  -2.681
   96    HA   GLN   6           HA       GLN   6  -0.999   1.784  -2.132
   97   1HB   GLN   6          2HB       GLN   6   1.462   2.920  -3.471
   98   2HB   GLN   6          1HB       GLN   6   0.123   3.872  -2.845
   99   1HG   GLN   6          2HG       GLN   6   1.902   2.080  -1.206
  100   2HG   GLN   6          1HG       GLN   6   2.042   3.835  -1.326
  101   1HE2  GLN   6          1HE2      GLN   6   0.984   1.456   0.597
  102   2HE2  GLN   6          2HE2      GLN   6  -0.282   2.274   1.440
  103    H    GLU   7           H        GLU   7   0.548   0.841  -5.127
  104    HA   GLU   7           HA       GLU   7  -1.020   2.345  -6.907
  105   1HB   GLU   7          2HB       GLU   7   1.117   1.038  -7.393
  106   2HB   GLU   7          1HB       GLU   7   0.096  -0.389  -7.505
  107   1HG   GLU   7          2HG       GLU   7  -1.110   0.546  -9.351
  108   2HG   GLU   7          1HG       GLU   7  -0.271   2.085  -9.176
  109    H    GLU   8           H        GLU   8  -1.451  -0.966  -5.677
  110    HA   GLU   8           HA       GLU   8  -3.820  -1.476  -7.139
  111   1HB   GLU   8          2HB       GLU   8  -4.090  -3.414  -5.708
  112   2HB   GLU   8          1HB       GLU   8  -2.407  -3.260  -6.187
  113   1HG   GLU   8          2HG       GLU   8  -1.723  -2.650  -4.070
  114   2HG   GLU   8          1HG       GLU   8  -3.330  -2.109  -3.593
  115    H    LEU   9           H        LEU   9  -3.189   0.031  -4.047
  116    HA   LEU   9           HA       LEU   9  -5.851  -0.065  -3.065
  117   1HB   LEU   9          2HB       LEU   9  -3.333   1.282  -2.332
  118   2HB   LEU   9          1HB       LEU   9  -4.794   2.113  -1.833
  119    HG   LEU   9           HG       LEU   9  -5.404  -0.336  -0.946
  120   1HD1  LEU   9          1HD1      LEU   9  -3.508  -1.494  -0.086
  121   2HD1  LEU   9          2HD1      LEU   9  -2.414  -0.215  -0.617
  122   3HD1  LEU   9          3HD1      LEU   9  -3.234  -1.228  -1.807
  123   1HD2  LEU   9          1HD2      LEU   9  -4.021   0.520   1.190
  124   2HD2  LEU   9          2HD2      LEU   9  -5.564   1.213   0.690
  125   3HD2  LEU   9          3HD2      LEU   9  -4.054   2.005   0.239
  126    H    LEU  10           H        LEU  10  -3.991   2.476  -4.717
  127    HA   LEU  10           HA       LEU  10  -6.064   4.381  -4.778
  128   1HB   LEU  10          2HB       LEU  10  -3.408   4.319  -5.509
  129   2HB   LEU  10          1HB       LEU  10  -4.225   4.473  -7.052
  130    HG   LEU  10           HG       LEU  10  -5.443   6.465  -6.111
  131   1HD1  LEU  10          1HD1      LEU  10  -3.418   6.155  -3.901
  132   2HD1  LEU  10          2HD1      LEU  10  -5.164   5.964  -3.747
  133   3HD1  LEU  10          3HD1      LEU  10  -4.481   7.542  -4.138
  134   1HD2  LEU  10          1HD2      LEU  10  -3.277   7.893  -6.104
  135   2HD2  LEU  10          2HD2      LEU  10  -3.740   7.028  -7.571
  136   3HD2  LEU  10          3HD2      LEU  10  -2.483   6.373  -6.522
  137    H    ARG  11           H        ARG  11  -5.139   1.807  -6.994
  138    HA   ARG  11           HA       ARG  11  -6.782   2.488  -9.153
  139   1HB   ARG  11          2HB       ARG  11  -5.364   0.075  -8.229
  140   2HB   ARG  11          1HB       ARG  11  -6.744  -0.233  -9.274
  141   1HG   ARG  11          2HG       ARG  11  -4.539   1.685  -9.981
  142   2HG   ARG  11          1HG       ARG  11  -4.526  -0.023 -10.427
  143   1HD   ARG  11          2HD       ARG  11  -6.849   1.750 -11.102
  144   2HD   ARG  11          1HD       ARG  11  -5.420   1.681 -12.135
  145    HE   ARG  11           HE       ARG  11  -7.458  -0.325 -11.856
  146   1HH1  ARG  11          1HH1      ARG  11  -4.140   0.278 -12.747
  147   2HH1  ARG  11          2HH1      ARG  11  -4.023  -1.125 -13.755
  148   1HH2  ARG  11          1HH2      ARG  11  -7.309  -2.171 -13.181
  149   2HH2  ARG  11          2HH2      ARG  11  -5.824  -2.516 -14.001
  150    H    TRP  12           H        TRP  12  -7.444   0.520  -6.283
  151    HA   TRP  12           HA       TRP  12 -10.051  -0.266  -7.068
  152   1HB   TRP  12          2HB       TRP  12  -8.613  -1.350  -5.283
  153   2HB   TRP  12          1HB       TRP  12  -9.059  -0.012  -4.228
  154    HD1  TRP  12           HD       TRP  12 -10.362  -3.270  -5.624
  155    HE1  TRP  12           1HE      TRP  12 -12.657  -3.788  -4.581
  156    HE3  TRP  12           3HE      TRP  12 -11.227   1.203  -3.301
  157    HZ2  TRP  12           2HZ      TRP  12 -14.580  -2.474  -2.986
  158    HZ3  TRP  12           3HZ      TRP  12 -13.320   1.490  -2.038
  159    HH2  TRP  12           HH       TRP  12 -14.960  -0.312  -1.884
  160    H    CYS  13           H        CYS  13  -8.798   2.465  -5.229
  161    HA   CYS  13           HA       CYS  13 -11.314   3.444  -4.363
  162   1HB   CYS  13          2HB       CYS  13  -8.763   4.033  -3.714
  163   2HB   CYS  13          1HB       CYS  13  -9.117   5.386  -4.785
  164    HG   CYS  13           HG       CYS  13 -10.642   6.361  -3.093
  165    H    GLN  14           H        GLN  14  -9.228   4.280  -7.115
  166    HA   GLN  14           HA       GLN  14 -10.869   6.341  -8.122
  167   1HB   GLN  14          2HB       GLN  14  -9.573   6.113 -10.187
  168   2HB   GLN  14          1HB       GLN  14  -8.526   6.106  -8.774
  169   1HG   GLN  14          2HG       GLN  14  -8.341   3.684  -8.909
  170   2HG   GLN  14          1HG       GLN  14  -9.414   3.672 -10.306
  171   1HE2  GLN  14          1HE2      GLN  14  -6.302   4.810  -9.126
  172   2HE2  GLN  14          2HE2      GLN  14  -5.534   4.879 -10.672
  173    H    GLU  15           H        GLU  15 -10.842   2.863  -8.614
  174    HA   GLU  15           HA       GLU  15 -12.574   2.781 -10.839
  175   1HB   GLU  15          2HB       GLU  15 -11.202   0.867 -10.149
  176   2HB   GLU  15          1HB       GLU  15 -12.142   0.716  -8.672
  177   1HG   GLU  15          2HG       GLU  15 -12.968  -0.932 -10.115
  178   2HG   GLU  15          1HG       GLU  15 -14.161   0.365 -10.152
  179    H    GLN  16           H        GLN  16 -13.195   2.558  -7.352
  180    HA   GLN  16           HA       GLN  16 -16.011   2.253  -7.625
  181   1HB   GLN  16          2HB       GLN  16 -14.214   2.971  -5.321
  182   2HB   GLN  16          1HB       GLN  16 -15.964   2.960  -5.152
  183   1HG   GLN  16          2HG       GLN  16 -14.392   0.590  -6.121
  184   2HG   GLN  16          1HG       GLN  16 -14.770   0.875  -4.422
  185   1HE2  GLN  16          1HE2      GLN  16 -15.957  -1.056  -4.356
  186   2HE2  GLN  16          2HE2      GLN  16 -17.535  -1.171  -5.048
  187    H    THR  17           H        THR  17 -13.856   4.986  -7.436
  188    HA   THR  17           HA       THR  17 -16.043   6.866  -7.066
  189    HB   THR  17           HB       THR  17 -14.121   8.555  -7.267
  190    HG1  THR  17           1HG      THR  17 -12.427   7.570  -8.070
  191   1HG2  THR  17          1HG2      THR  17 -15.023   7.127  -5.095
  192   2HG2  THR  17          2HG2      THR  17 -13.979   8.548  -5.056
  193   3HG2  THR  17          3HG2      THR  17 -13.271   6.934  -5.025
  194    H    ALA  18           H        ALA  18 -15.156   5.164  -9.625
  195    HA   ALA  18           HA       ALA  18 -14.879   7.258 -11.592
  196   1HB   ALA  18          1HB       ALA  18 -15.199   5.201 -13.159
  197   2HB   ALA  18          2HB       ALA  18 -14.963   4.274 -11.677
  198   3HB   ALA  18          3HB       ALA  18 -13.708   5.380 -12.235
  199    H    GLY  19           H        GLY  19 -16.435   8.103 -12.871
  200   1HA   GLY  19          2HA       GLY  19 -18.637   7.425 -14.003
  201   2HA   GLY  19          1HA       GLY  19 -19.194   7.207 -12.350
  202    H    TYR  20           H        TYR  20 -17.606   9.531 -11.419
  203    HA   TYR  20           HA       TYR  20 -19.606  11.527 -11.903
  204   1HB   TYR  20          2HB       TYR  20 -16.985  11.769 -10.409
  205   2HB   TYR  20          1HB       TYR  20 -18.333  12.899 -10.333
  206    HD1  TYR  20           1HD      TYR  20 -20.149  12.528  -8.858
  207    HD2  TYR  20           2HD      TYR  20 -17.281   9.450  -9.487
  208    HE1  TYR  20           1HE      TYR  20 -21.108  11.258  -6.984
  209    HE2  TYR  20           2HE      TYR  20 -18.231   8.172  -7.615
  210    HH   TYR  20           HH       TYR  20 -20.954   8.345  -6.464
  211    HA   PRO  21           HA       PRO  21 -17.562  13.468 -15.335
  212   1HB   PRO  21          2HB       PRO  21 -18.960  15.768 -15.431
  213   2HB   PRO  21          1HB       PRO  21 -19.672  14.218 -15.895
  214   1HG   PRO  21          2HG       PRO  21 -19.940  15.732 -13.326
  215   2HG   PRO  21          1HG       PRO  21 -21.188  14.892 -14.265
  216   1HD   PRO  21          2HD       PRO  21 -19.996  13.820 -12.059
  217   2HD   PRO  21          1HD       PRO  21 -20.636  12.840 -13.393
  218    H    GLY  22           H        GLY  22 -15.486  13.798 -14.436
  219   1HA   GLY  22          2HA       GLY  22 -14.039  15.844 -14.444
  220   2HA   GLY  22          1HA       GLY  22 -15.103  16.446 -13.182
  221    H    VAL  23           H        VAL  23 -14.883  13.239 -12.593
  222    HA   VAL  23           HA       VAL  23 -13.078  13.643 -10.395
  223    HB   VAL  23           HB       VAL  23 -15.062  12.219 -10.145
  224   1HG1  VAL  23          1HG1      VAL  23 -13.883   9.941 -11.583
  225   2HG1  VAL  23          2HG1      VAL  23 -14.491  11.246 -12.602
  226   3HG1  VAL  23          3HG1      VAL  23 -15.565  10.454 -11.448
  227   1HG2  VAL  23          1HG2      VAL  23 -12.615  11.800  -9.080
  228   2HG2  VAL  23          2HG2      VAL  23 -12.923  10.224  -9.809
  229   3HG2  VAL  23          3HG2      VAL  23 -14.055  10.888  -8.629
  230    H    HIS  24           H        HIS  24 -10.964  13.427 -10.474
  231    HA   HIS  24           HA       HIS  24  -9.784  11.515 -12.374
  232   1HB   HIS  24          2HB       HIS  24  -9.168  14.405 -11.985
  233   2HB   HIS  24          1HB       HIS  24  -7.823  13.318 -12.316
  234    HD1  HIS  24           1HD      HIS  24 -10.437  15.224 -13.960
  235    HD2  HIS  24           2HD      HIS  24  -8.179  11.850 -14.838
  236    HE1  HIS  24           1HE      HIS  24 -10.657  14.897 -16.443
  237    HE2  HIS  24           2HE      HIS  24  -9.214  12.898 -16.963
  238    H    VAL  25           H        VAL  25 -10.121  10.413 -10.117
  239    HA   VAL  25           HA       VAL  25  -8.245  11.039  -8.064
  240    HB   VAL  25           HB       VAL  25  -9.691   8.424  -8.486
  241   1HG1  VAL  25          1HG1      VAL  25  -8.602   9.685  -5.973
  242   2HG1  VAL  25          2HG1      VAL  25  -7.830   8.379  -6.870
  243   3HG1  VAL  25          3HG1      VAL  25  -9.396   8.116  -6.104
  244   1HG2  VAL  25          1HG2      VAL  25 -10.650  10.636  -6.706
  245   2HG2  VAL  25          2HG2      VAL  25 -11.538   9.248  -7.332
  246   3HG2  VAL  25          3HG2      VAL  25 -11.106  10.575  -8.408
  247    H    SER  26           H        SER  26  -6.134  10.955  -8.597
  248    HA   SER  26           HA       SER  26  -5.022   8.350  -9.237
  249   1HB   SER  26          2HB       SER  26  -4.918  10.700 -11.082
  250   2HB   SER  26          1HB       SER  26  -3.509   9.644 -10.981
  251    HG   SER  26           HG       SER  26  -5.042   9.013 -12.603
  252    H    ASP  27           H        ASP  27  -5.042  10.427  -7.046
  253    HA   ASP  27           HA       ASP  27  -2.144  10.435  -6.620
  254   1HB   ASP  27          2HB       ASP  27  -3.963  12.822  -6.242
  255   2HB   ASP  27          1HB       ASP  27  -2.310  12.732  -5.643
  256    H    LEU  28           H        LEU  28  -1.505  10.188  -4.486
  257    HA   LEU  28           HA       LEU  28  -3.620   9.293  -2.682
  258   1HB   LEU  28          2HB       LEU  28  -1.138   8.261  -3.301
  259   2HB   LEU  28          1HB       LEU  28  -0.866   9.023  -1.746
  260    HG   LEU  28           HG       LEU  28  -3.158   7.127  -2.156
  261   1HD1  LEU  28          1HD1      LEU  28  -1.874   5.268  -1.756
  262   2HD1  LEU  28          2HD1      LEU  28  -0.564   6.195  -1.024
  263   3HD1  LEU  28          3HD1      LEU  28  -0.787   6.215  -2.774
  264   1HD2  LEU  28          1HD2      LEU  28  -2.327   6.800   0.369
  265   2HD2  LEU  28          2HD2      LEU  28  -3.506   8.022  -0.108
  266   3HD2  LEU  28          3HD2      LEU  28  -1.814   8.466   0.108
  267    H    SER  29           H        SER  29  -3.317  12.111  -3.116
  268    HA   SER  29           HA       SER  29  -3.231  12.978  -0.404
  269   1HB   SER  29          2HB       SER  29  -1.000  13.877  -2.241
  270   2HB   SER  29          1HB       SER  29  -1.384  14.633  -0.695
  271    HG   SER  29           HG       SER  29  -1.094  12.403   0.169
  272    H    SER  30           H        SER  30  -2.425  14.634  -3.450
  273    HA   SER  30           HA       SER  30  -4.030  16.862  -3.012
  274   1HB   SER  30          2HB       SER  30  -2.699  15.652  -5.375
  275   2HB   SER  30          1HB       SER  30  -3.963  16.838  -5.695
  276    HG   SER  30           HG       SER  30  -1.873  17.784  -5.478
  277    H    SER  31           H        SER  31  -4.772  13.867  -4.757
  278    HA   SER  31           HA       SER  31  -7.251  14.554  -5.790
  279   1HB   SER  31          2HB       SER  31  -5.768  12.104  -5.303
  280   2HB   SER  31          1HB       SER  31  -7.502  11.866  -5.089
  281    HG   SER  31           HG       SER  31  -7.780  12.809  -7.177
  282    H    TRP  32           H        TRP  32  -6.367  13.684  -2.528
  283    HA   TRP  32           HA       TRP  32  -9.140  13.426  -1.697
  284   1HB   TRP  32          2HB       TRP  32  -6.647  13.357   0.010
  285   2HB   TRP  32          1HB       TRP  32  -8.260  12.825   0.474
  286    HD1  TRP  32           HD       TRP  32  -5.416  11.837  -1.953
  287    HE1  TRP  32           1HE      TRP  32  -5.575   9.305  -2.381
  288    HE3  TRP  32           3HE      TRP  32  -9.725  10.847   0.612
  289    HZ2  TRP  32           2HZ      TRP  32  -7.297   7.170  -1.719
  290    HZ3  TRP  32           3HZ      TRP  32 -10.561   8.533   0.665
  291    HH2  TRP  32           HH       TRP  32  -9.371   6.733  -0.478
  292    H    ALA  33           H        ALA  33  -7.202  15.988  -2.332
  293    HA   ALA  33           HA       ALA  33  -7.321  17.693  -0.163
  294   1HB   ALA  33          1HB       ALA  33  -7.378  19.532  -1.920
  295   2HB   ALA  33          2HB       ALA  33  -7.409  18.235  -3.115
  296   3HB   ALA  33          3HB       ALA  33  -6.044  18.382  -2.009
  297    H    ASP  34           H        ASP  34  -9.663  17.605  -2.861
  298    HA   ASP  34           HA       ASP  34 -11.532  19.228  -1.393
  299   1HB   ASP  34          2HB       ASP  34 -13.027  18.764  -3.385
  300   2HB   ASP  34          1HB       ASP  34 -11.500  19.563  -3.749
  301    H    GLY  35           H        GLY  35 -10.763  15.977  -1.281
  302   1HA   GLY  35          2HA       GLY  35 -11.751  14.257  -0.115
  303   2HA   GLY  35          1HA       GLY  35 -13.015  15.378   0.366
  304    H    LEU  36           H        LEU  36 -12.138  14.626  -2.955
  305    HA   LEU  36           HA       LEU  36 -14.854  13.997  -3.596
  306   1HB   LEU  36          2HB       LEU  36 -12.351  14.440  -5.035
  307   2HB   LEU  36          1HB       LEU  36 -13.343  13.190  -5.762
  308    HG   LEU  36           HG       LEU  36 -13.738  15.419  -6.742
  309   1HD1  LEU  36          1HD1      LEU  36 -16.289  14.889  -5.369
  310   2HD1  LEU  36          2HD1      LEU  36 -15.552  13.510  -6.185
  311   3HD1  LEU  36          3HD1      LEU  36 -15.919  14.979  -7.090
  312   1HD2  LEU  36          1HD2      LEU  36 -13.948  17.233  -5.482
  313   2HD2  LEU  36          2HD2      LEU  36 -13.726  16.240  -4.042
  314   3HD2  LEU  36          3HD2      LEU  36 -15.348  16.540  -4.664
  315    H    ALA  37           H        ALA  37 -11.993  12.152  -2.837
  316    HA   ALA  37           HA       ALA  37 -12.828   9.667  -3.898
  317   1HB   ALA  37          1HB       ALA  37 -10.872  10.362  -1.719
  318   2HB   ALA  37          2HB       ALA  37 -10.525   9.955  -3.398
  319   3HB   ALA  37          3HB       ALA  37 -11.136   8.718  -2.299
  320    H    LEU  38           H        LEU  38 -13.066  11.051  -0.630
  321    HA   LEU  38           HA       LEU  38 -14.450   8.799   0.451
  322   1HB   LEU  38          2HB       LEU  38 -13.735  11.531   1.379
  323   2HB   LEU  38          1HB       LEU  38 -15.057  10.725   2.202
  324    HG   LEU  38           HG       LEU  38 -13.010   8.818   2.089
  325   1HD1  LEU  38          1HD1      LEU  38 -11.341  10.394   3.469
  326   2HD1  LEU  38          2HD1      LEU  38 -11.949  11.564   2.299
  327   3HD1  LEU  38          3HD1      LEU  38 -11.171  10.082   1.743
  328   1HD2  LEU  38          1HD2      LEU  38 -14.260   8.751   3.993
  329   2HD2  LEU  38          2HD2      LEU  38 -14.311  10.506   4.157
  330   3HD2  LEU  38          3HD2      LEU  38 -12.854   9.620   4.608
  331    H    CYS  39           H        CYS  39 -15.391  11.843  -0.999
  332    HA   CYS  39           HA       CYS  39 -18.136  11.729  -0.290
  333   1HB   CYS  39          2HB       CYS  39 -16.509  13.287  -2.260
  334   2HB   CYS  39          1HB       CYS  39 -18.263  13.322  -2.378
  335    HG   CYS  39           HG       CYS  39 -17.237  14.053   0.396
  336    H    ALA  40           H        ALA  40 -16.386  10.899  -3.273
  337    HA   ALA  40           HA       ALA  40 -18.586  10.072  -4.781
  338   1HB   ALA  40          1HB       ALA  40 -15.661   9.598  -4.896
  339   2HB   ALA  40          2HB       ALA  40 -16.746  10.291  -6.101
  340   3HB   ALA  40          3HB       ALA  40 -16.702   8.545  -5.855
  341    H    LEU  41           H        LEU  41 -16.522   8.253  -2.547
  342    HA   LEU  41           HA       LEU  41 -17.568   5.702  -3.065
  343   1HB   LEU  41          2HB       LEU  41 -16.294   6.883  -0.602
  344   2HB   LEU  41          1HB       LEU  41 -16.757   5.195  -0.714
  345    HG   LEU  41           HG       LEU  41 -14.838   6.500  -2.637
  346   1HD1  LEU  41          1HD1      LEU  41 -13.108   5.224  -1.299
  347   2HD1  LEU  41          2HD1      LEU  41 -14.327   5.093  -0.032
  348   3HD1  LEU  41          3HD1      LEU  41 -13.762   6.680  -0.550
  349   1HD2  LEU  41          1HD2      LEU  41 -14.233   4.222  -3.186
  350   2HD2  LEU  41          2HD2      LEU  41 -15.968   4.451  -3.404
  351   3HD2  LEU  41          3HD2      LEU  41 -15.362   3.604  -1.981
  352    H    VAL  42           H        VAL  42 -18.413   8.022  -0.495
  353    HA   VAL  42           HA       VAL  42 -20.489   6.501   0.629
  354    HB   VAL  42           HB       VAL  42 -20.310   9.515   0.607
  355   1HG1  VAL  42          1HG1      VAL  42 -21.682   9.497   2.501
  356   2HG1  VAL  42          2HG1      VAL  42 -21.432   7.772   2.776
  357   3HG1  VAL  42          3HG1      VAL  42 -22.420   8.315   1.420
  358   1HG2  VAL  42          1HG2      VAL  42 -18.632   9.479   2.095
  359   2HG2  VAL  42          2HG2      VAL  42 -18.330   7.853   1.483
  360   3HG2  VAL  42          3HG2      VAL  42 -19.286   8.081   2.947
  361    H    TYR  43           H        TYR  43 -20.607   9.153  -1.744
  362    HA   TYR  43           HA       TYR  43 -23.356   9.280  -2.101
  363   1HB   TYR  43          2HB       TYR  43 -21.625  10.849  -3.045
  364   2HB   TYR  43          1HB       TYR  43 -21.310   9.650  -4.294
  365    HD1  TYR  43           1HD      TYR  43 -22.590   9.628  -6.247
  366    HD2  TYR  43           2HD      TYR  43 -24.026  11.744  -2.847
  367    HE1  TYR  43           1HE      TYR  43 -24.415  10.562  -7.606
  368    HE2  TYR  43           2HE      TYR  43 -25.855  12.683  -4.197
  369    HH   TYR  43           HH       TYR  43 -27.095  12.127  -6.260
  370    H    ARG  44           H        ARG  44 -20.998   7.101  -3.559
  371    HA   ARG  44           HA       ARG  44 -22.703   5.945  -5.482
  372   1HB   ARG  44          2HB       ARG  44 -20.073   5.756  -5.000
  373   2HB   ARG  44          1HB       ARG  44 -20.595   4.260  -4.239
  374   1HG   ARG  44          2HG       ARG  44 -21.488   4.925  -7.011
  375   2HG   ARG  44          1HG       ARG  44 -19.882   4.250  -6.724
  376   1HD   ARG  44          2HD       ARG  44 -22.343   2.967  -5.587
  377   2HD   ARG  44          1HD       ARG  44 -21.817   2.633  -7.237
  378    HE   ARG  44           HE       ARG  44 -19.595   2.225  -5.693
  379   1HH1  ARG  44          1HH1      ARG  44 -22.838   0.940  -5.753
  380   2HH1  ARG  44          2HH1      ARG  44 -22.372  -0.606  -5.125
  381   1HH2  ARG  44          1HH2      ARG  44 -18.980   0.192  -4.868
  382   2HH2  ARG  44          2HH2      ARG  44 -20.181  -1.029  -4.622
  383    H    LEU  45           H        LEU  45 -21.953   5.038  -2.139
  384    HA   LEU  45           HA       LEU  45 -23.620   2.709  -2.195
  385   1HB   LEU  45          2HB       LEU  45 -22.047   4.168  -0.127
  386   2HB   LEU  45          1HB       LEU  45 -23.296   3.060   0.409
  387    HG   LEU  45           HG       LEU  45 -22.206   1.241  -0.852
  388   1HD1  LEU  45          1HD1      LEU  45 -21.132   2.479  -2.601
  389   2HD1  LEU  45          2HD1      LEU  45 -19.898   1.620  -1.679
  390   3HD1  LEU  45          3HD1      LEU  45 -20.137   3.351  -1.433
  391   1HD2  LEU  45          1HD2      LEU  45 -20.063   1.239   0.575
  392   2HD2  LEU  45          2HD2      LEU  45 -21.622   1.256   1.399
  393   3HD2  LEU  45          3HD2      LEU  45 -20.688   2.744   1.248
  394    H    GLN  46           H        GLN  46 -24.027   6.066  -1.323
  395    HA   GLN  46           HA       GLN  46 -26.893   5.664  -1.134
  396   1HB   GLN  46          2HB       GLN  46 -25.175   6.285   1.189
  397   2HB   GLN  46          1HB       GLN  46 -26.612   7.286   1.023
  398   1HG   GLN  46          2HG       GLN  46 -27.929   5.661   1.755
  399   2HG   GLN  46          1HG       GLN  46 -27.236   4.499   0.625
  400   1HE2  GLN  46          1HE2      GLN  46 -27.969   4.601   3.624
  401   2HE2  GLN  46          2HE2      GLN  46 -26.602   3.863   4.382
  402    HA   PRO  47           HA       PRO  47 -25.610   9.598  -3.225
  403   1HB   PRO  47          2HB       PRO  47 -27.153   9.284  -5.420
  404   2HB   PRO  47          1HB       PRO  47 -25.553   8.545  -5.276
  405   1HG   PRO  47          2HG       PRO  47 -28.251   7.318  -4.851
  406   2HG   PRO  47          1HG       PRO  47 -26.841   6.655  -5.698
  407   1HD   PRO  47          2HD       PRO  47 -27.501   5.962  -3.154
  408   2HD   PRO  47          1HD       PRO  47 -25.829   5.983  -3.746
  409    H    GLY  48           H        GLY  48 -28.721   8.118  -2.579
  410   1HA   GLY  48          2HA       GLY  48 -30.293  10.453  -3.011
  411   2HA   GLY  48          1HA       GLY  48 -30.795   9.013  -2.139
  412    H    LEU  49           H        LEU  49 -28.472   9.248  -0.295
  413    HA   LEU  49           HA       LEU  49 -29.606  11.359   1.408
  414   1HB   LEU  49          2HB       LEU  49 -27.902   9.015   2.244
  415   2HB   LEU  49          1HB       LEU  49 -28.745  10.132   3.301
  416    HG   LEU  49           HG       LEU  49 -30.147   8.280   1.376
  417   1HD1  LEU  49          1HD1      LEU  49 -29.381   6.694   2.793
  418   2HD1  LEU  49          2HD1      LEU  49 -30.725   7.262   3.783
  419   3HD1  LEU  49          3HD1      LEU  49 -29.090   7.842   4.099
  420   1HD2  LEU  49          1HD2      LEU  49 -32.100   9.086   2.173
  421   2HD2  LEU  49          2HD2      LEU  49 -31.121  10.515   2.505
  422   3HD2  LEU  49          3HD2      LEU  49 -31.456   9.355   3.792
  423    H    LEU  50           H        LEU  50 -27.531  11.701  -0.719
  424    HA   LEU  50           HA       LEU  50 -25.618  13.138   0.949
  425   1HB   LEU  50          2HB       LEU  50 -24.991  10.837  -0.796
  426   2HB   LEU  50          1HB       LEU  50 -23.913  12.213  -0.929
  427    HG   LEU  50           HG       LEU  50 -24.011  11.936   1.765
  428   1HD1  LEU  50          1HD1      LEU  50 -24.114   9.130   0.675
  429   2HD1  LEU  50          2HD1      LEU  50 -25.434   9.919   1.540
  430   3HD1  LEU  50          3HD1      LEU  50 -23.902   9.615   2.359
  431   1HD2  LEU  50          1HD2      LEU  50 -22.113  10.228   0.219
  432   2HD2  LEU  50          2HD2      LEU  50 -21.811  11.271   1.609
  433   3HD2  LEU  50          3HD2      LEU  50 -22.081  11.979   0.017
  434    H    GLU  51           H        GLU  51 -24.260  14.643  -0.345
  435    HA   GLU  51           HA       GLU  51 -25.162  15.330  -2.995
  436   1HB   GLU  51          2HB       GLU  51 -25.778  17.102  -0.631
  437   2HB   GLU  51          1HB       GLU  51 -25.724  17.705  -2.282
  438   1HG   GLU  51          2HG       GLU  51 -27.404  15.703  -2.684
  439   2HG   GLU  51          1HG       GLU  51 -27.713  15.946  -0.965
  440    HA   PRO  52           HA       PRO  52 -20.752  16.415  -1.481
  441   1HB   PRO  52          2HB       PRO  52 -19.514  14.788  -3.325
  442   2HB   PRO  52          1HB       PRO  52 -19.850  14.333  -1.654
  443   1HG   PRO  52          2HG       PRO  52 -21.388  13.692  -4.137
  444   2HG   PRO  52          1HG       PRO  52 -21.001  12.649  -2.753
  445   1HD   PRO  52          2HD       PRO  52 -23.425  13.751  -3.028
  446   2HD   PRO  52          1HD       PRO  52 -22.667  13.575  -1.431
  447    H    SER  53           H        SER  53 -22.551  16.312  -4.433
  448    HA   SER  53           HA       SER  53 -20.769  17.452  -6.234
  449   1HB   SER  53          2HB       SER  53 -23.747  17.443  -5.968
  450   2HB   SER  53          1HB       SER  53 -23.010  18.529  -7.147
  451    HG   SER  53           HG       SER  53 -23.194  16.734  -8.300
  452    H    GLU  54           H        GLU  54 -22.847  18.966  -3.828
  453    HA   GLU  54           HA       GLU  54 -22.210  21.646  -4.560
  454   1HB   GLU  54          2HB       GLU  54 -24.115  20.473  -2.981
  455   2HB   GLU  54          1HB       GLU  54 -23.046  21.184  -1.780
  456   1HG   GLU  54          2HG       GLU  54 -23.779  23.235  -2.202
  457   2HG   GLU  54          1HG       GLU  54 -23.614  23.021  -3.944
  458    H    LEU  55           H        LEU  55 -21.160  19.536  -1.897
  459    HA   LEU  55           HA       LEU  55 -19.277  21.420  -0.873
  460   1HB   LEU  55          2HB       LEU  55 -19.386  18.452  -0.360
  461   2HB   LEU  55          1HB       LEU  55 -18.611  19.668   0.639
  462    HG   LEU  55           HG       LEU  55 -21.500  20.069   0.195
  463   1HD1  LEU  55          1HD1      LEU  55 -21.964  17.886   0.555
  464   2HD1  LEU  55          2HD1      LEU  55 -21.701  18.349   2.237
  465   3HD1  LEU  55          3HD1      LEU  55 -20.409  17.568   1.324
  466   1HD2  LEU  55          1HD2      LEU  55 -21.112  20.199   2.835
  467   2HD2  LEU  55          2HD2      LEU  55 -20.761  21.543   1.747
  468   3HD2  LEU  55          3HD2      LEU  55 -19.459  20.485   2.294
  469    H    GLN  56           H        GLN  56 -19.175  19.398  -3.563
  470    HA   GLN  56           HA       GLN  56 -16.543  18.454  -3.534
  471   1HB   GLN  56          2HB       GLN  56 -18.214  17.676  -5.142
  472   2HB   GLN  56          1HB       GLN  56 -18.246  19.263  -5.896
  473   1HG   GLN  56          2HG       GLN  56 -15.555  18.354  -5.843
  474   2HG   GLN  56          1HG       GLN  56 -16.570  17.059  -6.476
  475   1HE2  GLN  56          1HE2      GLN  56 -15.193  20.141  -7.056
  476   2HE2  GLN  56          2HE2      GLN  56 -15.782  20.352  -8.665
  477    H    GLY  57           H        GLY  57 -17.857  21.587  -4.412
  478   1HA   GLY  57          2HA       GLY  57 -15.086  22.521  -4.854
  479   2HA   GLY  57          1HA       GLY  57 -16.454  23.143  -5.765
  480    H    LEU  58           H        LEU  58 -18.035  22.990  -3.129
  481    HA   LEU  58           HA       LEU  58 -17.832  25.686  -2.433
  482   1HB   LEU  58          2HB       LEU  58 -19.296  23.351  -1.516
  483   2HB   LEU  58          1HB       LEU  58 -18.875  24.413  -0.187
  484    HG   LEU  58           HG       LEU  58 -19.850  26.276  -1.752
  485   1HD1  LEU  58          1HD1      LEU  58 -21.374  25.649  -3.356
  486   2HD1  LEU  58          2HD1      LEU  58 -21.612  24.048  -2.658
  487   3HD1  LEU  58          3HD1      LEU  58 -20.137  24.408  -3.554
  488   1HD2  LEU  58          1HD2      LEU  58 -21.152  24.382   0.106
  489   2HD2  LEU  58          2HD2      LEU  58 -22.216  25.409  -0.855
  490   3HD2  LEU  58          3HD2      LEU  58 -20.998  26.136   0.194
  491    H    GLY  59           H        GLY  59 -16.213  22.852  -1.156
  492   1HA   GLY  59          2HA       GLY  59 -14.060  24.276  -0.090
  493   2HA   GLY  59          1HA       GLY  59 -15.208  24.011   1.216
  494    H    ALA  60           H        ALA  60 -12.438  22.947   0.562
  495    HA   ALA  60           HA       ALA  60 -12.685  20.176   0.023
  496   1HB   ALA  60          1HB       ALA  60 -10.509  20.531  -0.273
  497   2HB   ALA  60          2HB       ALA  60 -10.338  20.504   1.482
  498   3HB   ALA  60          3HB       ALA  60 -10.567  22.037   0.642
  499    H    LEU  61           H        LEU  61 -11.979  21.877   3.081
  500    HA   LEU  61           HA       LEU  61 -12.155  19.619   4.728
  501   1HB   LEU  61          2HB       LEU  61 -11.421  22.179   5.117
  502   2HB   LEU  61          1HB       LEU  61 -13.011  22.218   5.856
  503    HG   LEU  61           HG       LEU  61 -12.201  20.138   7.176
  504   1HD1  LEU  61          1HD1      LEU  61  -9.628  21.250   6.098
  505   2HD1  LEU  61          2HD1      LEU  61 -10.203  19.583   6.073
  506   3HD1  LEU  61          3HD1      LEU  61  -9.702  20.321   7.595
  507   1HD2  LEU  61          1HD2      LEU  61 -12.546  21.886   8.572
  508   2HD2  LEU  61          2HD2      LEU  61 -11.621  23.009   7.575
  509   3HD2  LEU  61          3HD2      LEU  61 -10.784  21.879   8.639
  510    H    GLU  62           H        GLU  62 -14.614  21.885   3.623
  511    HA   GLU  62           HA       GLU  62 -16.701  21.067   5.311
  512   1HB   GLU  62          2HB       GLU  62 -16.462  22.579   2.786
  513   2HB   GLU  62          1HB       GLU  62 -18.027  21.827   3.066
  514   1HG   GLU  62          2HG       GLU  62 -18.014  24.100   3.883
  515   2HG   GLU  62          1HG       GLU  62 -18.187  22.964   5.221
  516    H    ALA  63           H        ALA  63 -15.691  19.909   2.121
  517    HA   ALA  63           HA       ALA  63 -17.811  18.064   1.785
  518   1HB   ALA  63          1HB       ALA  63 -15.910  17.005   0.225
  519   2HB   ALA  63          2HB       ALA  63 -15.235  18.620   0.451
  520   3HB   ALA  63          3HB       ALA  63 -16.850  18.426  -0.231
  521    H    THR  64           H        THR  64 -14.515  17.730   3.048
  522    HA   THR  64           HA       THR  64 -14.635  14.930   3.438
  523    HB   THR  64           HB       THR  64 -12.925  16.778   5.083
  524    HG1  THR  64           1HG      THR  64 -12.044  17.482   3.335
  525   1HG2  THR  64          1HG2      THR  64 -11.395  14.720   4.058
  526   2HG2  THR  64          2HG2      THR  64 -12.924  13.954   4.491
  527   3HG2  THR  64          3HG2      THR  64 -12.016  14.859   5.704
  528    H    ALA  65           H        ALA  65 -15.037  17.647   5.706
  529    HA   ALA  65           HA       ALA  65 -15.612  16.082   7.968
  530   1HB   ALA  65          1HB       ALA  65 -16.794  18.272   8.716
  531   2HB   ALA  65          2HB       ALA  65 -16.104  18.937   7.237
  532   3HB   ALA  65          3HB       ALA  65 -15.047  18.263   8.478
  533    H    TRP  66           H        TRP  66 -17.737  17.564   5.548
  534    HA   TRP  66           HA       TRP  66 -20.167  16.794   6.779
  535   1HB   TRP  66          2HB       TRP  66 -19.846  18.571   4.987
  536   2HB   TRP  66          1HB       TRP  66 -19.764  17.252   3.823
  537    HD1  TRP  66           HD       TRP  66 -22.219  19.194   5.974
  538    HE1  TRP  66           1HE      TRP  66 -24.618  18.532   5.318
  539    HE3  TRP  66           3HE      TRP  66 -21.156  15.257   2.891
  540    HZ2  TRP  66           2HZ      TRP  66 -25.891  16.595   3.705
  541    HZ3  TRP  66           3HZ      TRP  66 -23.022  14.053   1.831
  542    HH2  TRP  66           HH       TRP  66 -25.340  14.709   2.231
  543    H    ALA  67           H        ALA  67 -18.145  15.303   4.292
  544    HA   ALA  67           HA       ALA  67 -19.889  13.152   3.715
  545   1HB   ALA  67          1HB       ALA  67 -17.671  12.095   2.879
  546   2HB   ALA  67          2HB       ALA  67 -16.990  13.686   3.219
  547   3HB   ALA  67          3HB       ALA  67 -18.312  13.521   2.065
  548    H    LEU  68           H        LEU  68 -17.279  13.581   6.044
  549    HA   LEU  68           HA       LEU  68 -17.076  10.893   6.868
  550   1HB   LEU  68          2HB       LEU  68 -16.334  13.521   8.090
  551   2HB   LEU  68          1HB       LEU  68 -16.212  12.055   9.042
  552    HG   LEU  68           HG       LEU  68 -14.800  12.519   6.415
  553   1HD1  LEU  68          1HD1      LEU  68 -12.776  12.729   7.761
  554   2HD1  LEU  68          2HD1      LEU  68 -13.736  12.602   9.234
  555   3HD1  LEU  68          3HD1      LEU  68 -13.944  13.987   8.162
  556   1HD2  LEU  68          1HD2      LEU  68 -13.469  10.520   7.588
  557   2HD2  LEU  68          2HD2      LEU  68 -14.826  10.255   6.492
  558   3HD2  LEU  68          3HD2      LEU  68 -15.078  10.208   8.237
  559    H    LYS  69           H        LYS  69 -18.964  13.613   8.163
  560    HA   LYS  69           HA       LYS  69 -20.089  12.185  10.322
  561   1HB   LYS  69          2HB       LYS  69 -20.104  14.804   9.475
  562   2HB   LYS  69          1HB       LYS  69 -21.774  14.314   9.224
  563   1HG   LYS  69          2HG       LYS  69 -20.522  13.621  11.818
  564   2HG   LYS  69          1HG       LYS  69 -20.914  15.314  11.521
  565   1HD   LYS  69          2HD       LYS  69 -23.051  13.462  10.774
  566   2HD   LYS  69          1HD       LYS  69 -22.648  13.426  12.491
  567   1HE   LYS  69          2HE       LYS  69 -23.485  15.479  12.857
  568   2HE   LYS  69          1HE       LYS  69 -22.840  16.117  11.345
  569   1HZ   LYS  69          1HZ       LYS  69 -24.726  14.620  10.348
  570   2HZ   LYS  69          2HZ       LYS  69 -25.059  16.181  10.906
  571   3HZ   LYS  69          3HZ       LYS  69 -25.423  14.842  11.874
  572    H    VAL  70           H        VAL  70 -21.358  12.933   7.083
  573    HA   VAL  70           HA       VAL  70 -23.810  11.549   7.452
  574    HB   VAL  70           HB       VAL  70 -24.052  11.689   5.002
  575   1HG1  VAL  70          1HG1      VAL  70 -24.877  13.613   5.901
  576   2HG1  VAL  70          2HG1      VAL  70 -23.568  14.294   4.935
  577   3HG1  VAL  70          3HG1      VAL  70 -23.347  14.043   6.667
  578   1HG2  VAL  70          1HG2      VAL  70 -22.142  13.153   3.926
  579   2HG2  VAL  70          2HG2      VAL  70 -22.014  11.395   3.999
  580   3HG2  VAL  70          3HG2      VAL  70 -21.165  12.391   5.182
  581    H    ALA  71           H        ALA  71 -20.672  10.622   6.135
  582    HA   ALA  71           HA       ALA  71 -21.333   8.170   5.004
  583   1HB   ALA  71          1HB       ALA  71 -18.961   7.542   5.444
  584   2HB   ALA  71          2HB       ALA  71 -18.792   9.025   6.383
  585   3HB   ALA  71          3HB       ALA  71 -19.154   9.110   4.659
  586    H    GLU  72           H        GLU  72 -20.472   8.972   8.338
  587    HA   GLU  72           HA       GLU  72 -20.631   6.302   9.307
  588   1HB   GLU  72          2HB       GLU  72 -19.386   8.198  10.406
  589   2HB   GLU  72          1HB       GLU  72 -20.943   8.850  10.900
  590   1HG   GLU  72          2HG       GLU  72 -21.120   6.288  11.793
  591   2HG   GLU  72          1HG       GLU  72 -19.400   6.618  11.991
  592    H    ASN  73           H        ASN  73 -22.890   8.990   9.062
  593    HA   ASN  73           HA       ASN  73 -24.954   7.811  10.609
  594   1HB   ASN  73          2HB       ASN  73 -24.526  10.284   9.494
  595   2HB   ASN  73          1HB       ASN  73 -25.832   9.648   8.497
  596   1HD2  ASN  73          1HD2      ASN  73 -26.200  11.842  10.091
  597   2HD2  ASN  73          2HD2      ASN  73 -27.273  11.445  11.384
  598    H    GLU  74           H        GLU  74 -24.251   7.845   7.144
  599    HA   GLU  74           HA       GLU  74 -26.617   6.336   6.491
  600   1HB   GLU  74          2HB       GLU  74 -24.380   7.576   4.999
  601   2HB   GLU  74          1HB       GLU  74 -25.144   6.184   4.242
  602   1HG   GLU  74          2HG       GLU  74 -26.593   7.651   3.411
  603   2HG   GLU  74          1HG       GLU  74 -27.300   7.668   5.027
  604    H    LEU  75           H        LEU  75 -23.148   5.682   6.725
  605    HA   LEU  75           HA       LEU  75 -23.681   2.832   6.273
  606   1HB   LEU  75          2HB       LEU  75 -21.618   4.581   5.429
  607   2HB   LEU  75          1HB       LEU  75 -20.887   3.410   6.511
  608    HG   LEU  75           HG       LEU  75 -20.795   2.762   4.114
  609   1HD1  LEU  75          1HD1      LEU  75 -20.923   0.572   4.633
  610   2HD1  LEU  75          2HD1      LEU  75 -22.549   0.712   5.301
  611   3HD1  LEU  75          3HD1      LEU  75 -21.155   1.195   6.267
  612   1HD2  LEU  75          1HD2      LEU  75 -22.609   2.546   2.794
  613   2HD2  LEU  75          2HD2      LEU  75 -23.312   3.699   3.928
  614   3HD2  LEU  75          3HD2      LEU  75 -23.635   1.975   4.109
  615    H    GLY  76           H        GLY  76 -21.452   4.744   8.313
  616   1HA   GLY  76          2HA       GLY  76 -21.694   4.534  10.764
  617   2HA   GLY  76          1HA       GLY  76 -22.015   2.829  10.496
  618    H    ILE  77           H        ILE  77 -19.525   4.706   8.863
  619    HA   ILE  77           HA       ILE  77 -17.522   2.816   9.750
  620    HB   ILE  77           HB       ILE  77 -17.065   5.282   8.079
  621   1HG1  ILE  77          2HG1      ILE  77 -18.842   3.926   7.057
  622   2HG1  ILE  77          1HG1      ILE  77 -17.362   3.856   6.104
  623   1HG2  ILE  77          1HG2      ILE  77 -14.949   4.611   8.323
  624   2HG2  ILE  77          2HG2      ILE  77 -15.370   3.289   7.234
  625   3HG2  ILE  77          3HG2      ILE  77 -15.431   3.047   8.980
  626   1HD1  ILE  77          1HD1      ILE  77 -17.529   1.729   8.072
  627   2HD1  ILE  77          2HD1      ILE  77 -17.201   1.654   6.341
  628   3HD1  ILE  77          3HD1      ILE  77 -18.866   1.714   6.921
  629    H    THR  78           H        THR  78 -16.084   3.111  11.330
  630    HA   THR  78           HA       THR  78 -16.307   5.377  13.056
  631    HB   THR  78           HB       THR  78 -15.836   3.307  14.104
  632    HG1  THR  78           1HG      THR  78 -13.354   4.669  14.047
  633   1HG2  THR  78          1HG2      THR  78 -13.650   2.113  13.660
  634   2HG2  THR  78          2HG2      THR  78 -13.570   3.039  12.162
  635   3HG2  THR  78          3HG2      THR  78 -14.916   1.935  12.444
  636    HA   PRO  79           HA       PRO  79 -13.479   7.935  10.657
  637   1HB   PRO  79          2HB       PRO  79 -13.599   9.565  13.136
  638   2HB   PRO  79          1HB       PRO  79 -13.887  10.043  11.458
  639   1HG   PRO  79          2HG       PRO  79 -15.914   9.763  13.165
  640   2HG   PRO  79          1HG       PRO  79 -16.068   9.261  11.471
  641   1HD   PRO  79          2HD       PRO  79 -15.648   7.590  13.916
  642   2HD   PRO  79          1HD       PRO  79 -16.651   7.265  12.487
  643    H    VAL  80           H        VAL  80 -11.314   7.905  10.560
  644    HA   VAL  80           HA       VAL  80  -9.812   7.376  13.039
  645    HB   VAL  80           HB       VAL  80  -9.085   6.257  10.332
  646   1HG1  VAL  80          1HG1      VAL  80  -7.106   6.178  11.433
  647   2HG1  VAL  80          2HG1      VAL  80  -7.814   4.712  12.109
  648   3HG1  VAL  80          3HG1      VAL  80  -7.863   6.219  13.025
  649   1HG2  VAL  80          1HG2      VAL  80  -9.798   4.066  11.317
  650   2HG2  VAL  80          2HG2      VAL  80 -11.118   5.187  10.977
  651   3HG2  VAL  80          3HG2      VAL  80 -10.547   4.972  12.632
  652    H    VAL  81           H        VAL  81 -10.346   9.608  10.708
  653    HA   VAL  81           HA       VAL  81  -7.777  10.880  11.193
  654    HB   VAL  81           HB       VAL  81  -7.448  11.422   8.796
  655   1HG1  VAL  81          1HG1      VAL  81  -6.385   9.445  10.027
  656   2HG1  VAL  81          2HG1      VAL  81  -6.326   9.441   8.264
  657   3HG1  VAL  81          3HG1      VAL  81  -7.507   8.439   9.111
  658   1HG2  VAL  81          1HG2      VAL  81  -9.238   9.194   7.993
  659   2HG2  VAL  81          2HG2      VAL  81  -8.761  10.642   7.103
  660   3HG2  VAL  81          3HG2      VAL  81  -9.979  10.749   8.375
  661    H    SER  82           H        SER  82  -7.762  13.155  10.521
  662    HA   SER  82           HA       SER  82 -10.439  14.311  10.791
  663   1HB   SER  82          2HB       SER  82  -7.997  16.016  10.877
  664   2HB   SER  82          1HB       SER  82  -9.474  16.116  11.834
  665    HG   SER  82           HG       SER  82  -7.143  14.832  12.378
  666    H    ALA  83           H        ALA  83 -10.980  16.234   9.530
  667    HA   ALA  83           HA       ALA  83 -10.621  15.822   6.766
  668   1HB   ALA  83          1HB       ALA  83 -12.584  16.910   7.175
  669   2HB   ALA  83          2HB       ALA  83 -11.571  18.289   6.748
  670   3HB   ALA  83          3HB       ALA  83 -11.890  17.922   8.443
  671    H    GLN  84           H        GLN  84  -9.182  18.162   9.008
  672    HA   GLN  84           HA       GLN  84  -7.766  19.688   7.153
  673   1HB   GLN  84          2HB       GLN  84  -6.352  20.369   9.023
  674   2HB   GLN  84          1HB       GLN  84  -8.042  20.339   9.501
  675   1HG   GLN  84          2HG       GLN  84  -7.747  18.302  10.696
  676   2HG   GLN  84          1HG       GLN  84  -6.121  18.096  10.053
  677   1HE2  GLN  84          1HE2      GLN  84  -7.729  18.865  12.740
  678   2HE2  GLN  84          2HE2      GLN  84  -6.592  19.921  13.501
  679    H    ALA  85           H        ALA  85  -6.969  16.623   8.677
  680    HA   ALA  85           HA       ALA  85  -4.268  16.519   7.819
  681   1HB   ALA  85          1HB       ALA  85  -5.448  15.146   9.651
  682   2HB   ALA  85          2HB       ALA  85  -4.217  14.354   8.666
  683   3HB   ALA  85          3HB       ALA  85  -5.927  14.078   8.331
  684    H    VAL  86           H        VAL  86  -7.277  15.185   6.493
  685    HA   VAL  86           HA       VAL  86  -6.133  13.801   4.335
  686    HB   VAL  86           HB       VAL  86  -8.867  15.080   4.353
  687   1HG1  VAL  86          1HG1      VAL  86  -7.671  12.763   2.849
  688   2HG1  VAL  86          2HG1      VAL  86  -8.334  14.258   2.190
  689   3HG1  VAL  86          3HG1      VAL  86  -9.404  13.073   2.937
  690   1HG2  VAL  86          1HG2      VAL  86  -7.775  12.851   5.919
  691   2HG2  VAL  86          2HG2      VAL  86  -9.280  12.489   5.070
  692   3HG2  VAL  86          3HG2      VAL  86  -9.205  13.843   6.199
  693    H    VAL  87           H        VAL  87  -7.509  17.079   4.506
  694    HA   VAL  87           HA       VAL  87  -7.048  17.740   1.805
  695    HB   VAL  87           HB       VAL  87  -7.202  19.636   4.153
  696   1HG1  VAL  87          1HG1      VAL  87  -6.522  21.002   2.453
  697   2HG1  VAL  87          2HG1      VAL  87  -8.263  21.031   2.176
  698   3HG1  VAL  87          3HG1      VAL  87  -7.232  19.984   1.200
  699   1HG2  VAL  87          1HG2      VAL  87  -9.481  18.846   2.363
  700   2HG2  VAL  87          2HG2      VAL  87  -9.536  19.690   3.910
  701   3HG2  VAL  87          3HG2      VAL  87  -9.121  17.979   3.855
  702    H    ALA  88           H        ALA  88  -5.013  17.841   4.641
  703    HA   ALA  88           HA       ALA  88  -2.969  19.432   3.354
  704   1HB   ALA  88          1HB       ALA  88  -3.585  19.317   5.885
  705   2HB   ALA  88          2HB       ALA  88  -1.902  19.509   5.392
  706   3HB   ALA  88          3HB       ALA  88  -2.502  17.926   5.886
  707    H    GLY  89           H        GLY  89  -3.831  16.144   3.402
  708   1HA   GLY  89          2HA       GLY  89  -2.792  14.244   2.646
  709   2HA   GLY  89          1HA       GLY  89  -1.825  15.330   1.657
  710    H    SER  90           H        SER  90  -1.814  15.446   5.152
  711    HA   SER  90           HA       SER  90   0.984  14.544   5.101
  712   1HB   SER  90          2HB       SER  90  -0.496  16.543   6.757
  713   2HB   SER  90          1HB       SER  90   0.880  15.708   7.479
  714    HG   SER  90           HG       SER  90   2.023  16.386   5.479
  715    H    ASP  91           H        ASP  91  -1.179  12.678   5.126
  716    HA   ASP  91           HA       ASP  91  -0.416  11.162   7.455
  717   1HB   ASP  91          2HB       ASP  91  -2.534  12.753   7.898
  718   2HB   ASP  91          1HB       ASP  91  -3.366  11.378   7.177
  719    HA   PRO  92           HA       PRO  92  -1.358   8.908   3.390
  720   1HB   PRO  92          2HB       PRO  92   1.236   7.682   4.161
  721   2HB   PRO  92          1HB       PRO  92   0.675   8.227   2.576
  722   1HG   PRO  92          2HG       PRO  92   2.482   9.631   3.944
  723   2HG   PRO  92          1HG       PRO  92   1.220  10.440   2.996
  724   1HD   PRO  92          2HD       PRO  92   1.407  10.034   5.954
  725   2HD   PRO  92          1HD       PRO  92   0.810  11.435   5.041
  726    H    LEU  93           H        LEU  93   0.125   7.741   6.407
  727    HA   LEU  93           HA       LEU  93  -0.698   5.079   6.235
  728   1HB   LEU  93          2HB       LEU  93   0.269   6.882   8.343
  729   2HB   LEU  93          1HB       LEU  93  -0.723   5.558   8.926
  730    HG   LEU  93           HG       LEU  93   1.677   5.026   8.988
  731   1HD1  LEU  93          1HD1      LEU  93   1.398   2.967   7.307
  732   2HD1  LEU  93          2HD1      LEU  93  -0.286   3.482   7.409
  733   3HD1  LEU  93          3HD1      LEU  93   0.593   3.044   8.874
  734   1HD2  LEU  93          1HD2      LEU  93   2.824   6.006   7.302
  735   2HD2  LEU  93          2HD2      LEU  93   1.488   5.859   6.160
  736   3HD2  LEU  93          3HD2      LEU  93   2.510   4.465   6.505
  737    H    GLY  94           H        GLY  94  -2.339   7.907   7.593
  738   1HA   GLY  94          2HA       GLY  94  -4.544   6.537   8.691
  739   2HA   GLY  94          1HA       GLY  94  -4.518   8.235   8.239
  740    H    LEU  95           H        LEU  95  -3.969   7.861   5.470
  741    HA   LEU  95           HA       LEU  95  -6.575   7.582   4.472
  742   1HB   LEU  95          2HB       LEU  95  -3.889   7.990   3.361
  743   2HB   LEU  95          1HB       LEU  95  -4.996   7.176   2.272
  744    HG   LEU  95           HG       LEU  95  -6.596   9.173   2.953
  745   1HD1  LEU  95          1HD1      LEU  95  -4.483   9.909   4.445
  746   2HD1  LEU  95          2HD1      LEU  95  -5.654  11.047   3.774
  747   3HD1  LEU  95          3HD1      LEU  95  -4.121  10.769   2.948
  748   1HD2  LEU  95          1HD2      LEU  95  -4.320   9.474   0.998
  749   2HD2  LEU  95          2HD2      LEU  95  -5.843  10.362   0.972
  750   3HD2  LEU  95          3HD2      LEU  95  -5.831   8.621   0.689
  751    H    ILE  96           H        ILE  96  -3.840   5.330   4.506
  752    HA   ILE  96           HA       ILE  96  -5.055   3.297   2.977
  753    HB   ILE  96           HB       ILE  96  -2.995   2.908   5.148
  754   1HG1  ILE  96          2HG1      ILE  96  -2.204   4.624   3.628
  755   2HG1  ILE  96          1HG1      ILE  96  -1.329   3.129   3.316
  756   1HG2  ILE  96          1HG2      ILE  96  -4.172   1.196   3.072
  757   2HG2  ILE  96          2HG2      ILE  96  -3.409   0.766   4.603
  758   3HG2  ILE  96          3HG2      ILE  96  -2.414   1.127   3.192
  759   1HD1  ILE  96          1HD1      ILE  96  -2.052   4.420   1.294
  760   2HD1  ILE  96          2HD1      ILE  96  -3.712   3.994   1.710
  761   3HD1  ILE  96          3HD1      ILE  96  -2.545   2.728   1.331
  762    H    ALA  97           H        ALA  97  -4.892   3.823   6.486
  763    HA   ALA  97           HA       ALA  97  -6.182   1.489   7.303
  764   1HB   ALA  97          1HB       ALA  97  -6.767   3.925   8.861
  765   2HB   ALA  97          2HB       ALA  97  -5.060   3.562   8.601
  766   3HB   ALA  97          3HB       ALA  97  -6.107   2.375   9.379
  767    H    TYR  98           H        TYR  98  -7.526   4.644   6.409
  768    HA   TYR  98           HA       TYR  98 -10.222   3.965   6.990
  769   1HB   TYR  98          2HB       TYR  98  -8.882   6.287   6.350
  770   2HB   TYR  98          1HB       TYR  98  -9.847   5.992   4.908
  771    HD1  TYR  98           1HD      TYR  98 -10.639   5.313   8.486
  772    HD2  TYR  98           2HD      TYR  98 -11.574   7.549   4.990
  773    HE1  TYR  98           1HE      TYR  98 -12.609   6.252   9.619
  774    HE2  TYR  98           2HE      TYR  98 -13.545   8.494   6.114
  775    HH   TYR  98           HH       TYR  98 -14.996   7.297   8.600
  776    H    LEU  99           H        LEU  99  -8.347   4.061   3.973
  777    HA   LEU  99           HA       LEU  99 -10.425   3.290   2.252
  778   1HB   LEU  99          2HB       LEU  99  -7.821   4.033   1.937
  779   2HB   LEU  99          1HB       LEU  99  -7.734   2.324   1.556
  780    HG   LEU  99           HG       LEU  99  -9.635   4.246   0.218
  781   1HD1  LEU  99          1HD1      LEU  99  -6.964   4.376  -0.072
  782   2HD1  LEU  99          2HD1      LEU  99  -8.109   4.728  -1.367
  783   3HD1  LEU  99          3HD1      LEU  99  -7.347   3.139  -1.271
  784   1HD2  LEU  99          1HD2      LEU  99  -8.777   1.454  -0.529
  785   2HD2  LEU  99          2HD2      LEU  99  -9.930   2.469  -1.397
  786   3HD2  LEU  99          3HD2      LEU  99 -10.318   1.881   0.220
  787    H    SER 100           H        SER 100  -8.268   1.433   4.289
  788    HA   SER 100           HA       SER 100  -8.788  -1.108   3.148
  789   1HB   SER 100          2HB       SER 100  -6.947  -0.281   4.875
  790   2HB   SER 100          1HB       SER 100  -8.128  -0.863   6.050
  791    HG   SER 100           HG       SER 100  -8.111  -2.853   4.708
  792    H    HIS 101           H        HIS 101 -10.325   0.758   5.708
  793    HA   HIS 101           HA       HIS 101 -12.067  -1.341   6.553
  794   1HB   HIS 101          2HB       HIS 101 -11.525   1.407   7.297
  795   2HB   HIS 101          1HB       HIS 101 -13.257   1.098   7.258
  796    HD1  HIS 101           1HD      HIS 101 -14.014  -1.079   8.728
  797    HD2  HIS 101           2HD      HIS 101 -10.304   0.586   9.577
  798    HE1  HIS 101           1HE      HIS 101 -13.401  -1.934  11.012
  799    HE2  HIS 101           2HE      HIS 101 -11.110  -0.987  11.465
  800    H    PHE 102           H        PHE 102 -12.397   1.444   4.392
  801    HA   PHE 102           HA       PHE 102 -15.149   1.067   3.840
  802   1HB   PHE 102          2HB       PHE 102 -12.929   2.610   2.546
  803   2HB   PHE 102          1HB       PHE 102 -14.469   2.440   1.711
  804    HD1  PHE 102           1HD      PHE 102 -15.896   4.208   1.947
  805    HD2  PHE 102           2HD      PHE 102 -13.316   3.207   5.180
  806    HE1  PHE 102           1HE      PHE 102 -16.811   6.083   3.252
  807    HE2  PHE 102           2HE      PHE 102 -14.226   5.080   6.491
  808    HZ   PHE 102           HZ       PHE 102 -15.976   6.520   5.527
  809    H    HIS 103           H        HIS 103 -12.190  -0.048   2.270
  810    HA   HIS 103           HA       HIS 103 -13.408  -1.185  -0.006
  811   1HB   HIS 103          2HB       HIS 103 -10.999  -0.716   0.123
  812   2HB   HIS 103          1HB       HIS 103 -10.819  -1.953   1.361
  813    HD1  HIS 103           1HD      HIS 103  -9.043  -2.722  -0.651
  814    HD2  HIS 103           2HD      HIS 103 -13.102  -3.377  -1.247
  815    HE1  HIS 103           1HE      HIS 103  -9.185  -4.474  -2.448
  816    HE2  HIS 103           2HE      HIS 103 -11.651  -4.785  -2.859
  817    H    SER 104           H        SER 104 -12.339  -2.677   3.048
  818    HA   SER 104           HA       SER 104 -13.139  -5.285   2.491
  819   1HB   SER 104          2HB       SER 104 -11.722  -4.591   4.425
  820   2HB   SER 104          1HB       SER 104 -13.166  -3.950   5.206
  821    HG   SER 104           HG       SER 104 -12.973  -6.634   4.333
  822    H    ALA 105           H        ALA 105 -14.974  -2.574   3.802
  823    HA   ALA 105           HA       ALA 105 -17.329  -4.158   4.281
  824   1HB   ALA 105          1HB       ALA 105 -18.356  -1.815   4.592
  825   2HB   ALA 105          2HB       ALA 105 -16.694  -1.238   4.469
  826   3HB   ALA 105          3HB       ALA 105 -17.144  -2.366   5.748
  827    H    PHE 106           H        PHE 106 -16.305  -1.771   1.865
  828    HA   PHE 106           HA       PHE 106 -18.732  -1.743   0.419
  829   1HB   PHE 106          2HB       PHE 106 -15.909  -0.940  -0.229
  830   2HB   PHE 106          1HB       PHE 106 -17.157  -0.903  -1.469
  831    HD1  PHE 106           1HD      PHE 106 -17.549  -0.060   2.124
  832    HD2  PHE 106           2HD      PHE 106 -17.351   1.386  -1.873
  833    HE1  PHE 106           1HE      PHE 106 -18.250   2.165   2.899
  834    HE2  PHE 106           2HE      PHE 106 -18.051   3.616  -1.105
  835    HZ   PHE 106           HZ       PHE 106 -18.501   4.008   1.283
  836    H    LYS 107           H        LYS 107 -15.920  -3.815   0.334
  837    HA   LYS 107           HA       LYS 107 -16.526  -5.061  -2.160
  838   1HB   LYS 107          2HB       LYS 107 -14.265  -4.983  -0.973
  839   2HB   LYS 107          1HB       LYS 107 -14.879  -6.272   0.054
  840   1HG   LYS 107          2HG       LYS 107 -15.401  -7.417  -2.252
  841   2HG   LYS 107          1HG       LYS 107 -14.139  -6.326  -2.825
  842   1HD   LYS 107          2HD       LYS 107 -12.848  -7.247  -0.725
  843   2HD   LYS 107          1HD       LYS 107 -13.963  -8.603  -0.907
  844   1HE   LYS 107          2HE       LYS 107 -12.641  -9.428  -2.487
  845   2HE   LYS 107          1HE       LYS 107 -12.995  -8.016  -3.482
  846   1HZ   LYS 107          1HZ       LYS 107 -10.679  -8.088  -3.295
  847   2HZ   LYS 107          2HZ       LYS 107 -10.718  -8.426  -1.639
  848   3HZ   LYS 107          3HZ       LYS 107 -11.149  -6.890  -2.198
  849    H    SER 108           H        SER 108 -16.771  -6.230   1.202
  850    HA   SER 108           HA       SER 108 -18.160  -8.593   0.565
  851   1HB   SER 108          2HB       SER 108 -18.366  -7.118   3.191
  852   2HB   SER 108          1HB       SER 108 -18.510  -8.853   2.909
  853    HG   SER 108           HG       SER 108 -16.443  -8.961   3.197
  854    H    MET 109           H        MET 109 -19.349  -5.482   1.828
  855    HA   MET 109           HA       MET 109 -22.091  -6.309   1.229
  856   1HB   MET 109          2HB       MET 109 -21.248  -5.142   3.425
  857   2HB   MET 109          1HB       MET 109 -21.391  -3.675   2.466
  858   1HG   MET 109          2HG       MET 109 -23.664  -3.785   2.374
  859   2HG   MET 109          1HG       MET 109 -23.696  -5.543   2.516
  860   1HE   MET 109          1HE       MET 109 -23.834  -2.455   5.861
  861   2HE   MET 109          2HE       MET 109 -24.505  -2.330   4.234
  862   3HE   MET 109          3HE       MET 109 -22.760  -2.259   4.476
  Start of MODEL   20
    1   1H    MET  -8          1HT       MET  -8  -0.118 -22.493   2.546
    2   2H    MET  -8          2HT       MET  -8  -0.353 -22.755   4.225
    3   3H    MET  -8          3HT       MET  -8  -1.701 -22.705   3.164
    4    HA   MET  -8           HA       MET  -8  -1.370 -24.920   3.613
    5   1HB   MET  -8          2HB       MET  -8  -1.504 -24.039   1.164
    6   2HB   MET  -8          1HB       MET  -8   0.171 -24.563   1.059
    7   1HG   MET  -8          2HG       MET  -8  -0.483 -26.830   1.638
    8   2HG   MET  -8          1HG       MET  -8  -2.161 -26.316   1.796
    9   1HE   MET  -8          1HE       MET  -8  -0.392 -28.381  -1.323
   10   2HE   MET  -8          2HE       MET  -8  -2.057 -28.724  -0.852
   11   3HE   MET  -8          3HE       MET  -8  -0.810 -28.553   0.382
   12    H    GLY  -7           H        GLY  -7   1.695 -23.368   2.736
   13   1HA   GLY  -7          2HA       GLY  -7   3.163 -24.766   4.708
   14   2HA   GLY  -7          1HA       GLY  -7   3.403 -25.535   3.146
   15    H    HIS  -6           H        HIS  -6   4.355 -24.295   1.433
   16    HA   HIS  -6           HA       HIS  -6   5.936 -22.909   0.568
   17   1HB   HIS  -6          2HB       HIS  -6   4.795 -21.055   2.663
   18   2HB   HIS  -6          1HB       HIS  -6   5.978 -20.553   1.459
   19    HD1  HIS  -6           1HD      HIS  -6   4.231 -18.875   0.487
   20    HD2  HIS  -6           2HD      HIS  -6   3.124 -22.871   0.231
   21    HE1  HIS  -6           1HE      HIS  -6   2.297 -18.935  -1.119
   22    HE2  HIS  -6           2HE      HIS  -6   1.701 -21.375  -1.325
   23    H    HIS  -5           H        HIS  -5   7.934 -23.649   0.892
   24    HA   HIS  -5           HA       HIS  -5   9.110 -23.486   3.570
   25   1HB   HIS  -5          2HB       HIS  -5   9.406 -25.284   1.287
   26   2HB   HIS  -5          1HB       HIS  -5  10.953 -24.767   1.946
   27    HD1  HIS  -5           1HD      HIS  -5   7.676 -25.938   3.513
   28    HD2  HIS  -5           2HD      HIS  -5  11.775 -26.566   3.771
   29    HE1  HIS  -5           1HE      HIS  -5   7.980 -27.653   5.326
   30    HE2  HIS  -5           2HE      HIS  -5  10.462 -28.081   5.404
   31    H    HIS  -4           H        HIS  -4   8.757 -21.139   1.848
   32    HA   HIS  -4           HA       HIS  -4  11.491 -20.173   1.985
   33   1HB   HIS  -4          2HB       HIS  -4  10.059 -20.675  -0.543
   34   2HB   HIS  -4          1HB       HIS  -4  10.799 -19.082  -0.417
   35    HD1  HIS  -4           1HD      HIS  -4  11.893 -22.679   0.225
   36    HD2  HIS  -4           2HD      HIS  -4  13.342 -19.100  -1.310
   37    HE1  HIS  -4           1HE      HIS  -4  14.227 -23.181  -0.563
   38    HE2  HIS  -4           2HE      HIS  -4  15.054 -21.022  -1.563
   39    H    HIS  -3           H        HIS  -3  11.613 -18.059   2.537
   40    HA   HIS  -3           HA       HIS  -3   9.203 -16.748   3.356
   41   1HB   HIS  -3          2HB       HIS  -3  12.065 -15.771   3.313
   42   2HB   HIS  -3          1HB       HIS  -3  10.726 -14.928   4.083
   43    HD1  HIS  -3           1HD      HIS  -3  10.113 -18.351   4.732
   44    HD2  HIS  -3           2HD      HIS  -3  12.755 -15.540   6.276
   45    HE1  HIS  -3           1HE      HIS  -3  10.830 -19.257   6.965
   46    HE2  HIS  -3           2HE      HIS  -3  12.494 -17.582   7.842
   47    H    HIS  -2           H        HIS  -2   7.952 -15.492   2.152
   48    HA   HIS  -2           HA       HIS  -2   8.803 -14.664  -0.478
   49   1HB   HIS  -2          2HB       HIS  -2   6.281 -14.984   0.938
   50   2HB   HIS  -2          1HB       HIS  -2   6.330 -13.480   0.023
   51    HD1  HIS  -2           1HD      HIS  -2   7.895 -14.438  -2.450
   52    HD2  HIS  -2           2HD      HIS  -2   4.765 -16.541  -0.705
   53    HE1  HIS  -2           1HE      HIS  -2   6.992 -15.928  -4.263
   54    HE2  HIS  -2           2HE      HIS  -2   5.154 -17.253  -3.160
   55    H    HIS  -1           H        HIS  -1   8.996 -12.551  -1.226
   56    HA   HIS  -1           HA       HIS  -1   9.076 -10.447   0.828
   57   1HB   HIS  -1          2HB       HIS  -1  11.158 -11.092  -1.257
   58   2HB   HIS  -1          1HB       HIS  -1  11.070  -9.518  -0.472
   59    HD1  HIS  -1           1HD      HIS  -1  10.551 -10.380   2.421
   60    HD2  HIS  -1           2HD      HIS  -1  13.348 -12.180  -0.069
   61    HE1  HIS  -1           1HE      HIS  -1  12.223 -11.459   3.958
   62    HE2  HIS  -1           2HE      HIS  -1  13.953 -12.467   2.429
   63    H    MET   0           H        MET   0   9.209  -8.219  -0.231
   64    HA   MET   0           HA       MET   0   8.218  -6.616  -1.505
   65   1HB   MET   0          2HB       MET   0   9.518  -8.169  -3.260
   66   2HB   MET   0          1HB       MET   0   7.877  -8.432  -3.831
   67   1HG   MET   0          2HG       MET   0   7.635  -6.299  -4.566
   68   2HG   MET   0          1HG       MET   0   8.723  -5.637  -3.348
   69   1HE   MET   0          1HE       MET   0   8.743  -6.080  -7.320
   70   2HE   MET   0          2HE       MET   0   9.893  -4.777  -7.013
   71   3HE   MET   0          3HE       MET   0   8.356  -4.821  -6.148
   72    H    GLY   1           H        GLY   1   6.357  -6.866  -0.080
   73   1HA   GLY   1          2HA       GLY   1   3.984  -7.599  -1.631
   74   2HA   GLY   1          1HA       GLY   1   4.201  -8.362  -0.065
   75    H    SER   2           H        SER   2   5.217  -5.079  -0.640
   76    HA   SER   2           HA       SER   2   2.872  -4.100   0.841
   77   1HB   SER   2          2HB       SER   2   4.437  -2.484   1.991
   78   2HB   SER   2          1HB       SER   2   4.637  -4.170   2.461
   79    HG   SER   2           HG       SER   2   6.662  -3.438   2.062
   80    H    ALA   3           H        ALA   3   5.632  -3.207  -1.202
   81    HA   ALA   3           HA       ALA   3   4.565  -0.657  -1.913
   82   1HB   ALA   3          1HB       ALA   3   6.524  -0.315  -2.979
   83   2HB   ALA   3          2HB       ALA   3   6.521  -1.913  -3.726
   84   3HB   ALA   3          3HB       ALA   3   7.030  -1.726  -2.048
   85    H    GLY   4           H        GLY   4   4.439  -3.881  -3.305
   86   1HA   GLY   4          2HA       GLY   4   3.332  -3.055  -5.810
   87   2HA   GLY   4          1HA       GLY   4   3.382  -4.696  -5.185
   88    H    THR   5           H        THR   5   1.995  -3.865  -2.693
   89    HA   THR   5           HA       THR   5  -0.648  -4.408  -3.521
   90    HB   THR   5           HB       THR   5  -0.000  -3.159  -0.869
   91    HG1  THR   5           1HG      THR   5   0.558  -5.829  -1.640
   92   1HG2  THR   5          1HG2      THR   5  -2.090  -4.933  -1.938
   93   2HG2  THR   5          2HG2      THR   5  -2.165  -3.716  -0.663
   94   3HG2  THR   5          3HG2      THR   5  -1.495  -5.310  -0.323
   95    H    GLN   6           H        GLN   6   1.109  -1.455  -3.030
   96    HA   GLN   6           HA       GLN   6  -0.993   0.340  -2.637
   97   1HB   GLN   6          2HB       GLN   6   1.368   0.946  -2.358
   98   2HB   GLN   6          1HB       GLN   6   1.620   0.786  -4.090
   99   1HG   GLN   6          2HG       GLN   6   1.380   3.046  -3.892
  100   2HG   GLN   6          1HG       GLN   6  -0.282   2.568  -4.238
  101   1HE2  GLN   6          1HE2      GLN   6  -1.025   4.476  -3.251
  102   2HE2  GLN   6          2HE2      GLN   6  -1.071   4.640  -1.532
  103    H    GLU   7           H        GLU   7   0.223  -1.167  -5.553
  104    HA   GLU   7           HA       GLU   7  -1.004   0.510  -7.441
  105   1HB   GLU   7          2HB       GLU   7   0.635  -1.706  -7.531
  106   2HB   GLU   7          1HB       GLU   7  -0.866  -2.305  -8.227
  107   1HG   GLU   7          2HG       GLU   7  -0.658  -1.062 -10.088
  108   2HG   GLU   7          1HG       GLU   7   0.045   0.307  -9.227
  109    H    GLU   8           H        GLU   8  -2.149  -2.508  -5.939
  110    HA   GLU   8           HA       GLU   8  -4.593  -2.608  -7.344
  111   1HB   GLU   8          2HB       GLU   8  -5.282  -4.266  -5.721
  112   2HB   GLU   8          1HB       GLU   8  -3.608  -4.547  -6.176
  113   1HG   GLU   8          2HG       GLU   8  -2.837  -4.142  -4.108
  114   2HG   GLU   8          1HG       GLU   8  -4.003  -2.856  -3.805
  115    H    LEU   9           H        LEU   9  -3.601  -0.940  -4.440
  116    HA   LEU   9           HA       LEU   9  -6.227  -0.303  -3.531
  117   1HB   LEU   9          2HB       LEU   9  -3.739  -0.157  -2.437
  118   2HB   LEU   9          1HB       LEU   9  -4.036   1.530  -2.810
  119    HG   LEU   9           HG       LEU   9  -4.710   1.145  -0.552
  120   1HD1  LEU   9          1HD1      LEU   9  -6.301   2.310  -2.382
  121   2HD1  LEU   9          2HD1      LEU   9  -6.670   2.251  -0.659
  122   3HD1  LEU   9          3HD1      LEU   9  -7.397   1.078  -1.756
  123   1HD2  LEU   9          1HD2      LEU   9  -5.101  -1.052  -0.152
  124   2HD2  LEU   9          2HD2      LEU   9  -5.910  -1.305  -1.699
  125   3HD2  LEU   9          3HD2      LEU   9  -6.774  -0.536  -0.366
  126    H    LEU  10           H        LEU  10  -3.837   1.345  -5.540
  127    HA   LEU  10           HA       LEU  10  -5.165   3.820  -5.732
  128   1HB   LEU  10          2HB       LEU  10  -2.774   2.841  -6.586
  129   2HB   LEU  10          1HB       LEU  10  -3.651   2.944  -8.100
  130    HG   LEU  10           HG       LEU  10  -3.693   5.330  -6.322
  131   1HD1  LEU  10          1HD1      LEU  10  -1.413   5.037  -6.143
  132   2HD1  LEU  10          2HD1      LEU  10  -1.542   6.013  -7.607
  133   3HD1  LEU  10          3HD1      LEU  10  -1.279   4.274  -7.727
  134   1HD2  LEU  10          1HD2      LEU  10  -3.484   4.944  -9.307
  135   2HD2  LEU  10          2HD2      LEU  10  -3.659   6.488  -8.472
  136   3HD2  LEU  10          3HD2      LEU  10  -4.959   5.297  -8.407
  137    H    ARG  11           H        ARG  11  -5.325   0.902  -7.732
  138    HA   ARG  11           HA       ARG  11  -7.043   1.973  -9.705
  139   1HB   ARG  11          2HB       ARG  11  -6.727  -0.913  -8.863
  140   2HB   ARG  11          1HB       ARG  11  -7.424  -0.345 -10.374
  141   1HG   ARG  11          2HG       ARG  11  -4.580   0.151  -9.525
  142   2HG   ARG  11          1HG       ARG  11  -5.097  -1.165 -10.581
  143   1HD   ARG  11          2HD       ARG  11  -5.629   0.259 -12.319
  144   2HD   ARG  11          1HD       ARG  11  -5.847   1.644 -11.251
  145    HE   ARG  11           HE       ARG  11  -3.145   0.659 -11.363
  146   1HH1  ARG  11          1HH1      ARG  11  -5.482   2.808 -12.812
  147   2HH1  ARG  11          2HH1      ARG  11  -4.283   3.852 -13.496
  148   1HH2  ARG  11          1HH2      ARG  11  -1.566   2.033 -12.264
  149   2HH2  ARG  11          2HH2      ARG  11  -2.060   3.413 -13.187
  150    H    TRP  12           H        TRP  12  -7.637   0.316  -6.653
  151    HA   TRP  12           HA       TRP  12 -10.398  -0.098  -6.975
  152   1HB   TRP  12          2HB       TRP  12  -9.006  -1.183  -5.227
  153   2HB   TRP  12          1HB       TRP  12  -8.889   0.364  -4.394
  154    HD1  TRP  12           HD       TRP  12 -11.383  -2.441  -5.160
  155    HE1  TRP  12           1HE      TRP  12 -13.379  -2.225  -3.550
  156    HE3  TRP  12           3HE      TRP  12 -10.190   2.029  -2.984
  157    HZ2  TRP  12           2HZ      TRP  12 -14.323  -0.400  -1.613
  158    HZ3  TRP  12           3HZ      TRP  12 -11.692   2.941  -1.262
  159    HH2  TRP  12           HH       TRP  12 -13.716   1.750  -0.592
  160    H    CYS  13           H        CYS  13  -8.560   2.638  -5.701
  161    HA   CYS  13           HA       CYS  13 -10.786   4.108  -4.761
  162   1HB   CYS  13          2HB       CYS  13  -8.303   4.455  -4.219
  163   2HB   CYS  13          1HB       CYS  13  -8.218   5.341  -5.738
  164    HG   CYS  13           HG       CYS  13 -10.164   6.900  -4.587
  165    H    GLN  14           H        GLN  14  -8.984   4.193  -7.818
  166    HA   GLN  14           HA       GLN  14 -10.441   6.307  -8.980
  167   1HB   GLN  14          2HB       GLN  14  -8.258   5.576  -9.827
  168   2HB   GLN  14          1HB       GLN  14  -8.956   4.038 -10.320
  169   1HG   GLN  14          2HG       GLN  14 -10.389   5.183 -11.917
  170   2HG   GLN  14          1HG       GLN  14  -9.731   6.737 -11.406
  171   1HE2  GLN  14          1HE2      GLN  14  -9.343   4.030 -13.421
  172   2HE2  GLN  14          2HE2      GLN  14  -7.827   4.473 -14.124
  173    H    GLU  15           H        GLU  15 -10.922   2.815  -8.958
  174    HA   GLU  15           HA       GLU  15 -13.006   2.751 -10.870
  175   1HB   GLU  15          2HB       GLU  15 -11.551   0.837  -9.727
  176   2HB   GLU  15          1HB       GLU  15 -12.947   0.754  -8.659
  177   1HG   GLU  15          2HG       GLU  15 -13.028   0.490 -11.656
  178   2HG   GLU  15          1HG       GLU  15 -13.080  -0.846 -10.506
  179    H    GLN  16           H        GLN  16 -13.012   2.912  -7.328
  180    HA   GLN  16           HA       GLN  16 -15.833   2.896  -7.055
  181   1HB   GLN  16          2HB       GLN  16 -13.604   2.869  -5.335
  182   2HB   GLN  16          1HB       GLN  16 -14.533   4.294  -4.892
  183   1HG   GLN  16          2HG       GLN  16 -15.331   2.554  -3.537
  184   2HG   GLN  16          1HG       GLN  16 -16.554   2.792  -4.784
  185   1HE2  GLN  16          1HE2      GLN  16 -15.898   0.454  -3.106
  186   2HE2  GLN  16          2HE2      GLN  16 -15.617  -0.843  -4.212
  187    H    THR  17           H        THR  17 -13.452   5.437  -7.482
  188    HA   THR  17           HA       THR  17 -15.422   7.532  -7.081
  189    HB   THR  17           HB       THR  17 -12.522   7.714  -7.914
  190    HG1  THR  17           1HG      THR  17 -12.799   6.870  -5.815
  191   1HG2  THR  17          1HG2      THR  17 -14.570   9.775  -7.311
  192   2HG2  THR  17          2HG2      THR  17 -13.257   9.790  -8.488
  193   3HG2  THR  17          3HG2      THR  17 -12.909  10.044  -6.778
  194    H    ALA  18           H        ALA  18 -15.032   5.482  -9.508
  195    HA   ALA  18           HA       ALA  18 -14.857   7.282 -11.747
  196   1HB   ALA  18          1HB       ALA  18 -15.422   5.236 -13.071
  197   2HB   ALA  18          2HB       ALA  18 -15.518   4.350 -11.548
  198   3HB   ALA  18          3HB       ALA  18 -13.992   5.079 -12.050
  199    H    GLY  19           H        GLY  19 -16.518   7.816 -13.194
  200   1HA   GLY  19          2HA       GLY  19 -18.869   7.492 -13.861
  201   2HA   GLY  19          1HA       GLY  19 -19.250   7.390 -12.149
  202    H    TYR  20           H        TYR  20 -17.421   9.593 -11.466
  203    HA   TYR  20           HA       TYR  20 -19.262  11.754 -12.032
  204   1HB   TYR  20          2HB       TYR  20 -16.726  11.880 -10.398
  205   2HB   TYR  20          1HB       TYR  20 -18.090  12.990 -10.345
  206    HD1  TYR  20           1HD      TYR  20 -19.938  12.575  -8.929
  207    HD2  TYR  20           2HD      TYR  20 -17.036   9.529  -9.551
  208    HE1  TYR  20           1HE      TYR  20 -20.943  11.254  -7.115
  209    HE2  TYR  20           2HE      TYR  20 -18.034   8.200  -7.739
  210    HH   TYR  20           HH       TYR  20 -19.427   8.648  -5.679
  211    HA   PRO  21           HA       PRO  21 -16.659  13.138 -15.413
  212   1HB   PRO  21          2HB       PRO  21 -18.170  15.232 -16.184
  213   2HB   PRO  21          1HB       PRO  21 -18.640  13.561 -16.519
  214   1HG   PRO  21          2HG       PRO  21 -19.587  15.394 -14.349
  215   2HG   PRO  21          1HG       PRO  21 -20.529  14.299 -15.380
  216   1HD   PRO  21          2HD       PRO  21 -19.793  13.683 -12.830
  217   2HD   PRO  21          1HD       PRO  21 -20.028  12.460 -14.095
  218    H    GLY  22           H        GLY  22 -14.816  14.193 -15.034
  219   1HA   GLY  22          2HA       GLY  22 -13.705  16.330 -14.867
  220   2HA   GLY  22          1HA       GLY  22 -14.964  16.843 -13.753
  221    H    VAL  23           H        VAL  23 -14.858  14.241 -12.327
  222    HA   VAL  23           HA       VAL  23 -12.801  14.974 -10.461
  223    HB   VAL  23           HB       VAL  23 -14.513  12.488 -10.411
  224   1HG1  VAL  23          1HG1      VAL  23 -13.787  12.133  -8.297
  225   2HG1  VAL  23          2HG1      VAL  23 -13.616  13.853  -7.949
  226   3HG1  VAL  23          3HG1      VAL  23 -12.378  13.017  -8.885
  227   1HG2  VAL  23          1HG2      VAL  23 -15.925  14.479 -10.594
  228   2HG2  VAL  23          2HG2      VAL  23 -15.096  15.194  -9.212
  229   3HG2  VAL  23          3HG2      VAL  23 -16.063  13.736  -9.001
  230    H    HIS  24           H        HIS  24 -10.771  14.345 -10.557
  231    HA   HIS  24           HA       HIS  24 -10.081  11.951 -12.113
  232   1HB   HIS  24          2HB       HIS  24  -8.493  14.402 -11.363
  233   2HB   HIS  24          1HB       HIS  24  -7.734  12.954 -12.015
  234    HD1  HIS  24           1HD      HIS  24  -8.176  15.970 -13.297
  235    HD2  HIS  24           2HD      HIS  24  -9.910  12.365 -14.425
  236    HE1  HIS  24           1HE      HIS  24  -8.872  16.280 -15.693
  237    HE2  HIS  24           2HE      HIS  24  -9.854  14.064 -16.377
  238    H    VAL  25           H        VAL  25  -8.937  10.285 -11.223
  239    HA   VAL  25           HA       VAL  25  -8.250  10.514  -8.367
  240    HB   VAL  25           HB       VAL  25  -9.365   8.027  -9.662
  241   1HG1  VAL  25          1HG1      VAL  25  -9.067   6.973  -7.696
  242   2HG1  VAL  25          2HG1      VAL  25  -9.473   8.404  -6.749
  243   3HG1  VAL  25          3HG1      VAL  25  -7.854   8.224  -7.425
  244   1HG2  VAL  25          1HG2      VAL  25 -11.046   9.270  -7.654
  245   2HG2  VAL  25          2HG2      VAL  25 -11.453   8.706  -9.273
  246   3HG2  VAL  25          3HG2      VAL  25 -10.792  10.324  -9.044
  247    H    SER  26           H        SER  26  -6.062  10.857  -8.854
  248    HA   SER  26           HA       SER  26  -4.597   8.421  -9.403
  249   1HB   SER  26          2HB       SER  26  -4.756  10.665 -11.326
  250   2HB   SER  26          1HB       SER  26  -3.137  10.042 -11.012
  251    HG   SER  26           HG       SER  26  -5.311   8.344 -11.632
  252    H    ASP  27           H        ASP  27  -5.046  10.499  -7.256
  253    HA   ASP  27           HA       ASP  27  -2.215  10.857  -6.599
  254   1HB   ASP  27          2HB       ASP  27  -4.280  13.027  -6.185
  255   2HB   ASP  27          1HB       ASP  27  -2.557  13.124  -5.833
  256    H    LEU  28           H        LEU  28  -1.721  10.447  -4.506
  257    HA   LEU  28           HA       LEU  28  -3.913   9.540  -2.798
  258   1HB   LEU  28          2HB       LEU  28  -0.984   9.003  -2.934
  259   2HB   LEU  28          1HB       LEU  28  -1.795   8.813  -1.390
  260    HG   LEU  28           HG       LEU  28  -1.578   6.702  -2.684
  261   1HD1  LEU  28          1HD1      LEU  28  -3.238   6.406  -1.176
  262   2HD1  LEU  28          2HD1      LEU  28  -4.221   6.327  -2.639
  263   3HD1  LEU  28          3HD1      LEU  28  -4.133   7.827  -1.715
  264   1HD2  LEU  28          1HD2      LEU  28  -2.610   6.341  -4.715
  265   2HD2  LEU  28          2HD2      LEU  28  -2.040   8.001  -4.890
  266   3HD2  LEU  28          3HD2      LEU  28  -3.731   7.686  -4.504
  267    H    SER  29           H        SER  29  -3.624  12.334  -3.135
  268    HA   SER  29           HA       SER  29  -3.554  13.145  -0.405
  269   1HB   SER  29          2HB       SER  29  -1.215  13.771  -2.169
  270   2HB   SER  29          1HB       SER  29  -1.731  14.955  -0.968
  271    HG   SER  29           HG       SER  29  -1.620  13.096   0.546
  272    H    SER  30           H        SER  30  -2.769  14.842  -3.440
  273    HA   SER  30           HA       SER  30  -4.393  17.053  -2.955
  274   1HB   SER  30          2HB       SER  30  -2.545  16.576  -4.785
  275   2HB   SER  30          1HB       SER  30  -3.944  16.151  -5.770
  276    HG   SER  30           HG       SER  30  -4.722  18.201  -5.550
  277    H    SER  31           H        SER  31  -5.100  14.052  -4.693
  278    HA   SER  31           HA       SER  31  -7.582  14.714  -5.744
  279   1HB   SER  31          2HB       SER  31  -6.019  12.369  -5.474
  280   2HB   SER  31          1HB       SER  31  -7.626  11.980  -4.868
  281    HG   SER  31           HG       SER  31  -8.333  12.023  -6.838
  282    H    TRP  32           H        TRP  32  -6.688  14.058  -2.464
  283    HA   TRP  32           HA       TRP  32  -9.489  13.774  -1.663
  284   1HB   TRP  32          2HB       TRP  32  -7.021  13.537   0.065
  285   2HB   TRP  32          1HB       TRP  32  -8.662  13.047   0.481
  286    HD1  TRP  32           HD       TRP  32  -5.960  12.105  -2.146
  287    HE1  TRP  32           1HE      TRP  32  -6.143   9.578  -2.596
  288    HE3  TRP  32           3HE      TRP  32  -9.997  11.046   0.806
  289    HZ2  TRP  32           2HZ      TRP  32  -7.784   7.421  -1.805
  290    HZ3  TRP  32           3HZ      TRP  32 -10.811   8.728   0.903
  291    HH2  TRP  32           HH       TRP  32  -9.726   6.953  -0.375
  292    H    ALA  33           H        ALA  33  -7.485  16.273  -2.249
  293    HA   ALA  33           HA       ALA  33  -7.513  17.906  -0.010
  294   1HB   ALA  33          1HB       ALA  33  -6.907  19.642  -1.402
  295   2HB   ALA  33          2HB       ALA  33  -7.934  19.084  -2.722
  296   3HB   ALA  33          3HB       ALA  33  -6.434  18.235  -2.354
  297    H    ASP  34           H        ASP  34  -9.851  18.025  -2.714
  298    HA   ASP  34           HA       ASP  34 -11.662  19.649  -1.174
  299   1HB   ASP  34          2HB       ASP  34 -13.158  19.389  -3.177
  300   2HB   ASP  34          1HB       ASP  34 -11.571  20.065  -3.534
  301    H    GLY  35           H        GLY  35 -10.985  16.416  -1.091
  302   1HA   GLY  35          2HA       GLY  35 -12.047  14.724   0.062
  303   2HA   GLY  35          1HA       GLY  35 -13.369  15.835   0.394
  304    H    LEU  36           H        LEU  36 -12.299  15.264  -2.868
  305    HA   LEU  36           HA       LEU  36 -14.890  14.493  -3.711
  306   1HB   LEU  36          2HB       LEU  36 -12.301  15.007  -4.935
  307   2HB   LEU  36          1HB       LEU  36 -13.148  13.686  -5.717
  308    HG   LEU  36           HG       LEU  36 -13.542  15.921  -6.754
  309   1HD1  LEU  36          1HD1      LEU  36 -16.142  14.942  -5.661
  310   2HD1  LEU  36          2HD1      LEU  36 -15.167  13.889  -6.687
  311   3HD1  LEU  36          3HD1      LEU  36 -15.728  15.445  -7.300
  312   1HD2  LEU  36          1HD2      LEU  36 -15.520  16.821  -4.872
  313   2HD2  LEU  36          2HD2      LEU  36 -14.142  17.688  -5.549
  314   3HD2  LEU  36          3HD2      LEU  36 -13.940  16.712  -4.095
  315    H    ALA  37           H        ALA  37 -11.918  12.677  -3.088
  316    HA   ALA  37           HA       ALA  37 -12.765  10.184  -4.037
  317   1HB   ALA  37          1HB       ALA  37 -11.077   9.360  -2.215
  318   2HB   ALA  37          2HB       ALA  37 -10.701  11.078  -2.081
  319   3HB   ALA  37          3HB       ALA  37 -10.506  10.250  -3.626
  320    H    LEU  38           H        LEU  38 -12.977  11.579  -0.773
  321    HA   LEU  38           HA       LEU  38 -14.225   9.327   0.404
  322   1HB   LEU  38          2HB       LEU  38 -14.411  12.203   1.299
  323   2HB   LEU  38          1HB       LEU  38 -14.687  10.776   2.282
  324    HG   LEU  38           HG       LEU  38 -12.017  10.998   1.020
  325   1HD1  LEU  38          1HD1      LEU  38 -13.109  13.002   2.906
  326   2HD1  LEU  38          2HD1      LEU  38 -11.865  13.166   1.667
  327   3HD1  LEU  38          3HD1      LEU  38 -11.478  12.405   3.210
  328   1HD2  LEU  38          1HD2      LEU  38 -12.082   9.176   2.383
  329   2HD2  LEU  38          2HD2      LEU  38 -13.261   9.896   3.479
  330   3HD2  LEU  38          3HD2      LEU  38 -11.568  10.381   3.562
  331    H    CYS  39           H        CYS  39 -15.512  12.367  -0.899
  332    HA   CYS  39           HA       CYS  39 -18.209  11.901  -0.284
  333   1HB   CYS  39          2HB       CYS  39 -16.688  13.849  -1.719
  334   2HB   CYS  39          1HB       CYS  39 -18.065  13.380  -2.709
  335    HG   CYS  39           HG       CYS  39 -18.186  14.973  -0.100
  336    H    ALA  40           H        ALA  40 -16.342  11.178  -3.212
  337    HA   ALA  40           HA       ALA  40 -18.404  10.191  -4.799
  338   1HB   ALA  40          1HB       ALA  40 -15.593   9.114  -4.802
  339   2HB   ALA  40          2HB       ALA  40 -16.034  10.674  -5.496
  340   3HB   ALA  40          3HB       ALA  40 -16.729   9.191  -6.149
  341    H    LEU  41           H        LEU  41 -16.389   8.518  -2.410
  342    HA   LEU  41           HA       LEU  41 -17.329   5.918  -2.893
  343   1HB   LEU  41          2HB       LEU  41 -16.205   7.204  -0.411
  344   2HB   LEU  41          1HB       LEU  41 -16.582   5.496  -0.513
  345    HG   LEU  41           HG       LEU  41 -14.746   6.706  -2.538
  346   1HD1  LEU  41          1HD1      LEU  41 -12.978   5.762  -0.768
  347   2HD1  LEU  41          2HD1      LEU  41 -14.210   6.353   0.346
  348   3HD1  LEU  41          3HD1      LEU  41 -13.476   7.452  -0.822
  349   1HD2  LEU  41          1HD2      LEU  41 -15.165   3.994  -1.311
  350   2HD2  LEU  41          2HD2      LEU  41 -13.733   4.390  -2.261
  351   3HD2  LEU  41          3HD2      LEU  41 -15.331   4.475  -2.999
  352    H    VAL  42           H        VAL  42 -18.349   8.284  -0.431
  353    HA   VAL  42           HA       VAL  42 -20.414   6.729   0.665
  354    HB   VAL  42           HB       VAL  42 -20.309   9.747   0.541
  355   1HG1  VAL  42          1HG1      VAL  42 -22.355   8.177   1.411
  356   2HG1  VAL  42          2HG1      VAL  42 -22.018   9.805   1.998
  357   3HG1  VAL  42          3HG1      VAL  42 -21.430   8.404   2.896
  358   1HG2  VAL  42          1HG2      VAL  42 -19.155   7.889   2.620
  359   2HG2  VAL  42          2HG2      VAL  42 -19.147   9.650   2.675
  360   3HG2  VAL  42          3HG2      VAL  42 -18.225   8.806   1.435
  361    H    TYR  43           H        TYR  43 -20.527   9.282  -1.812
  362    HA   TYR  43           HA       TYR  43 -23.270   9.261  -2.279
  363   1HB   TYR  43          2HB       TYR  43 -21.647  10.937  -3.169
  364   2HB   TYR  43          1HB       TYR  43 -21.113   9.741  -4.345
  365    HD1  TYR  43           1HD      TYR  43 -22.298   9.416  -6.360
  366    HD2  TYR  43           2HD      TYR  43 -24.046  11.726  -3.243
  367    HE1  TYR  43           1HE      TYR  43 -24.080  10.131  -7.897
  368    HE2  TYR  43           2HE      TYR  43 -25.834  12.445  -4.770
  369    HH   TYR  43           HH       TYR  43 -26.855  11.220  -7.118
  370    H    ARG  44           H        ARG  44 -20.728   7.199  -3.580
  371    HA   ARG  44           HA       ARG  44 -22.251   5.921  -5.569
  372   1HB   ARG  44          2HB       ARG  44 -19.650   5.596  -4.334
  373   2HB   ARG  44          1HB       ARG  44 -20.399   4.036  -4.644
  374   1HG   ARG  44          2HG       ARG  44 -20.874   5.191  -6.999
  375   2HG   ARG  44          1HG       ARG  44 -19.426   6.089  -6.536
  376   1HD   ARG  44          2HD       ARG  44 -18.915   4.073  -7.861
  377   2HD   ARG  44          1HD       ARG  44 -18.194   4.031  -6.252
  378    HE   ARG  44           HE       ARG  44 -19.458   2.187  -5.786
  379   1HH1  ARG  44          1HH1      ARG  44 -20.849   3.814  -8.542
  380   2HH1  ARG  44          2HH1      ARG  44 -22.006   2.565  -8.853
  381   1HH2  ARG  44          1HH2      ARG  44 -20.980   0.543  -6.194
  382   2HH2  ARG  44          2HH2      ARG  44 -22.081   0.707  -7.519
  383    H    LEU  45           H        LEU  45 -21.714   5.135  -2.157
  384    HA   LEU  45           HA       LEU  45 -23.324   2.749  -2.300
  385   1HB   LEU  45          2HB       LEU  45 -21.846   4.201  -0.152
  386   2HB   LEU  45          1HB       LEU  45 -23.081   3.043   0.307
  387    HG   LEU  45           HG       LEU  45 -21.880   1.302  -1.001
  388   1HD1  LEU  45          1HD1      LEU  45 -19.827   3.485  -1.311
  389   2HD1  LEU  45          2HD1      LEU  45 -20.722   2.674  -2.597
  390   3HD1  LEU  45          3HD1      LEU  45 -19.536   1.778  -1.645
  391   1HD2  LEU  45          1HD2      LEU  45 -21.519   1.884   1.492
  392   2HD2  LEU  45          2HD2      LEU  45 -19.961   2.507   0.953
  393   3HD2  LEU  45          3HD2      LEU  45 -20.373   0.812   0.690
  394    H    GLN  46           H        GLN  46 -23.720   6.065  -1.191
  395    HA   GLN  46           HA       GLN  46 -26.615   5.629  -1.088
  396   1HB   GLN  46          2HB       GLN  46 -24.872   6.394   1.169
  397   2HB   GLN  46          1HB       GLN  46 -26.312   7.386   0.967
  398   1HG   GLN  46          2HG       GLN  46 -26.375   4.384   1.110
  399   2HG   GLN  46          1HG       GLN  46 -26.543   5.433   2.518
  400   1HE2  GLN  46          1HE2      GLN  46 -28.336   6.925   2.546
  401   2HE2  GLN  46          2HE2      GLN  46 -29.799   6.515   1.723
  402    HA   PRO  47           HA       PRO  47 -25.375   9.470  -3.404
  403   1HB   PRO  47          2HB       PRO  47 -26.861   8.974  -5.610
  404   2HB   PRO  47          1HB       PRO  47 -25.232   8.326  -5.397
  405   1HG   PRO  47          2HG       PRO  47 -27.873   6.988  -4.961
  406   2HG   PRO  47          1HG       PRO  47 -26.413   6.353  -5.741
  407   1HD   PRO  47          2HD       PRO  47 -27.092   5.755  -3.182
  408   2HD   PRO  47          1HD       PRO  47 -25.408   5.847  -3.733
  409    H    GLY  48           H        GLY  48 -28.429   7.920  -2.691
  410   1HA   GLY  48          2HA       GLY  48 -30.107  10.123  -3.334
  411   2HA   GLY  48          1HA       GLY  48 -30.538   8.754  -2.320
  412    H    LEU  49           H        LEU  49 -28.477   9.114  -0.371
  413    HA   LEU  49           HA       LEU  49 -29.600  11.447   1.011
  414   1HB   LEU  49          2HB       LEU  49 -28.981   8.778   1.812
  415   2HB   LEU  49          1HB       LEU  49 -27.994   9.880   2.755
  416    HG   LEU  49           HG       LEU  49 -30.915  10.439   2.513
  417   1HD1  LEU  49          1HD1      LEU  49 -29.717   8.370   4.351
  418   2HD1  LEU  49          2HD1      LEU  49 -30.859   8.072   3.039
  419   3HD1  LEU  49          3HD1      LEU  49 -31.360   9.002   4.451
  420   1HD2  LEU  49          1HD2      LEU  49 -30.585  11.331   4.753
  421   2HD2  LEU  49          2HD2      LEU  49 -29.419  12.029   3.627
  422   3HD2  LEU  49          3HD2      LEU  49 -28.915  10.763   4.747
  423    H    LEU  50           H        LEU  50 -27.476  11.651  -0.998
  424    HA   LEU  50           HA       LEU  50 -25.517  13.035   0.681
  425   1HB   LEU  50          2HB       LEU  50 -24.999  10.756  -1.110
  426   2HB   LEU  50          1HB       LEU  50 -23.907  12.112  -1.307
  427    HG   LEU  50           HG       LEU  50 -22.928  10.539   0.222
  428   1HD1  LEU  50          1HD1      LEU  50 -23.948  12.734   1.987
  429   2HD1  LEU  50          2HD1      LEU  50 -22.845  13.069   0.652
  430   3HD1  LEU  50          3HD1      LEU  50 -22.352  11.984   1.951
  431   1HD2  LEU  50          1HD2      LEU  50 -24.878  10.823   2.376
  432   2HD2  LEU  50          2HD2      LEU  50 -24.042   9.389   1.784
  433   3HD2  LEU  50          3HD2      LEU  50 -25.499   9.955   0.971
  434    H    GLU  51           H        GLU  51 -24.098  14.491  -0.652
  435    HA   GLU  51           HA       GLU  51 -25.131  15.330  -3.217
  436   1HB   GLU  51          2HB       GLU  51 -25.661  16.840  -0.708
  437   2HB   GLU  51          1HB       GLU  51 -25.213  17.773  -2.130
  438   1HG   GLU  51          2HG       GLU  51 -27.187  15.863  -2.878
  439   2HG   GLU  51          1HG       GLU  51 -27.739  16.719  -1.440
  440    HA   PRO  52           HA       PRO  52 -20.517  15.815  -2.233
  441   1HB   PRO  52          2HB       PRO  52 -19.766  14.558  -4.572
  442   2HB   PRO  52          1HB       PRO  52 -19.926  13.754  -3.006
  443   1HG   PRO  52          2HG       PRO  52 -21.880  13.892  -5.270
  444   2HG   PRO  52          1HG       PRO  52 -21.431  12.503  -4.262
  445   1HD   PRO  52          2HD       PRO  52 -23.701  13.828  -3.820
  446   2HD   PRO  52          1HD       PRO  52 -22.717  13.241  -2.462
  447    H    SER  53           H        SER  53 -22.394  16.187  -5.211
  448    HA   SER  53           HA       SER  53 -20.669  17.802  -6.654
  449   1HB   SER  53          2HB       SER  53 -22.875  16.811  -7.426
  450   2HB   SER  53          1HB       SER  53 -23.668  18.163  -6.615
  451    HG   SER  53           HG       SER  53 -22.321  19.542  -7.957
  452    H    GLU  54           H        GLU  54 -22.880  18.657  -4.057
  453    HA   GLU  54           HA       GLU  54 -22.597  21.474  -4.365
  454   1HB   GLU  54          2HB       GLU  54 -24.265  19.822  -2.931
  455   2HB   GLU  54          1HB       GLU  54 -23.271  20.543  -1.673
  456   1HG   GLU  54          2HG       GLU  54 -23.830  22.782  -2.770
  457   2HG   GLU  54          1HG       GLU  54 -25.092  21.897  -3.627
  458    H    LEU  55           H        LEU  55 -21.195  19.153  -2.056
  459    HA   LEU  55           HA       LEU  55 -19.501  21.148  -0.872
  460   1HB   LEU  55          2HB       LEU  55 -19.217  18.177  -0.543
  461   2HB   LEU  55          1HB       LEU  55 -18.747  19.443   0.575
  462    HG   LEU  55           HG       LEU  55 -21.619  19.406  -0.027
  463   1HD1  LEU  55          1HD1      LEU  55 -21.165  16.999  -0.103
  464   2HD1  LEU  55          2HD1      LEU  55 -22.115  17.445   1.315
  465   3HD1  LEU  55          3HD1      LEU  55 -20.393  17.100   1.479
  466   1HD2  LEU  55          1HD2      LEU  55 -21.028  20.806   1.710
  467   2HD2  LEU  55          2HD2      LEU  55 -19.830  19.683   2.351
  468   3HD2  LEU  55          3HD2      LEU  55 -21.550  19.359   2.572
  469    H    GLN  56           H        GLN  56 -19.278  19.344  -3.697
  470    HA   GLN  56           HA       GLN  56 -16.585  18.611  -3.768
  471   1HB   GLN  56          2HB       GLN  56 -18.227  17.826  -5.403
  472   2HB   GLN  56          1HB       GLN  56 -18.386  19.456  -6.041
  473   1HG   GLN  56          2HG       GLN  56 -15.690  19.006  -6.229
  474   2HG   GLN  56          1HG       GLN  56 -16.375  17.419  -6.576
  475   1HE2  GLN  56          1HE2      GLN  56 -16.801  20.837  -7.411
  476   2HE2  GLN  56          2HE2      GLN  56 -17.174  20.564  -9.076
  477    H    GLY  57           H        GLY  57 -18.128  21.700  -4.458
  478   1HA   GLY  57          2HA       GLY  57 -15.422  22.836  -4.820
  479   2HA   GLY  57          1HA       GLY  57 -16.809  23.393  -5.743
  480    H    LEU  58           H        LEU  58 -18.178  22.877  -2.880
  481    HA   LEU  58           HA       LEU  58 -18.198  25.641  -2.197
  482   1HB   LEU  58          2HB       LEU  58 -19.629  23.243  -1.430
  483   2HB   LEU  58          1HB       LEU  58 -19.266  24.242  -0.035
  484    HG   LEU  58           HG       LEU  58 -20.202  26.133  -1.686
  485   1HD1  LEU  58          1HD1      LEU  58 -21.931  25.417  -3.078
  486   2HD1  LEU  58          2HD1      LEU  58 -21.973  23.810  -2.353
  487   3HD1  LEU  58          3HD1      LEU  58 -20.626  24.273  -3.393
  488   1HD2  LEU  58          1HD2      LEU  58 -22.499  25.545  -0.587
  489   2HD2  LEU  58          2HD2      LEU  58 -21.140  26.055   0.414
  490   3HD2  LEU  58          3HD2      LEU  58 -21.547  24.344   0.285
  491    H    GLY  59           H        GLY  59 -16.406  22.865  -1.104
  492   1HA   GLY  59          2HA       GLY  59 -14.354  24.260   0.079
  493   2HA   GLY  59          1HA       GLY  59 -15.529  24.019   1.362
  494    H    ALA  60           H        ALA  60 -12.802  22.978   1.069
  495    HA   ALA  60           HA       ALA  60 -13.003  20.177   0.495
  496   1HB   ALA  60          1HB       ALA  60 -10.865  20.920   0.119
  497   2HB   ALA  60          2HB       ALA  60 -10.691  20.249   1.741
  498   3HB   ALA  60          3HB       ALA  60 -10.874  21.990   1.521
  499    H    LEU  61           H        LEU  61 -12.387  21.995   3.503
  500    HA   LEU  61           HA       LEU  61 -12.595  19.812   5.240
  501   1HB   LEU  61          2HB       LEU  61 -12.637  22.749   5.487
  502   2HB   LEU  61          1HB       LEU  61 -13.422  21.884   6.793
  503    HG   LEU  61           HG       LEU  61 -11.146  20.495   6.730
  504   1HD1  LEU  61          1HD1      LEU  61  -9.249  21.864   6.231
  505   2HD1  LEU  61          2HD1      LEU  61 -10.281  23.245   5.862
  506   3HD1  LEU  61          3HD1      LEU  61 -10.296  21.829   4.810
  507   1HD2  LEU  61          1HD2      LEU  61 -12.310  22.200   8.453
  508   2HD2  LEU  61          2HD2      LEU  61 -10.844  23.103   8.070
  509   3HD2  LEU  61          3HD2      LEU  61 -10.729  21.469   8.723
  510    H    GLU  62           H        GLU  62 -15.038  21.994   3.950
  511    HA   GLU  62           HA       GLU  62 -17.175  21.181   5.595
  512   1HB   GLU  62          2HB       GLU  62 -16.949  23.185   3.918
  513   2HB   GLU  62          1HB       GLU  62 -17.616  22.041   2.760
  514   1HG   GLU  62          2HG       GLU  62 -19.464  21.682   4.518
  515   2HG   GLU  62          1HG       GLU  62 -18.880  23.194   5.210
  516    H    ALA  63           H        ALA  63 -16.135  20.089   2.379
  517    HA   ALA  63           HA       ALA  63 -18.187  18.197   2.004
  518   1HB   ALA  63          1HB       ALA  63 -17.018  17.488   0.123
  519   2HB   ALA  63          2HB       ALA  63 -15.449  17.870   0.833
  520   3HB   ALA  63          3HB       ALA  63 -16.516  19.169   0.300
  521    H    THR  64           H        THR  64 -14.943  17.924   3.391
  522    HA   THR  64           HA       THR  64 -14.967  15.127   3.750
  523    HB   THR  64           HB       THR  64 -13.297  15.901   5.703
  524    HG1  THR  64           1HG      THR  64 -13.533  18.046   5.667
  525   1HG2  THR  64          1HG2      THR  64 -12.948  14.975   3.173
  526   2HG2  THR  64          2HG2      THR  64 -11.651  15.336   4.312
  527   3HG2  THR  64          3HG2      THR  64 -12.123  16.533   3.107
  528    H    ALA  65           H        ALA  65 -15.695  17.778   6.010
  529    HA   ALA  65           HA       ALA  65 -16.353  16.177   8.212
  530   1HB   ALA  65          1HB       ALA  65 -16.852  18.115   9.255
  531   2HB   ALA  65          2HB       ALA  65 -17.843  18.705   7.919
  532   3HB   ALA  65          3HB       ALA  65 -16.086  18.830   7.836
  533    H    TRP  66           H        TRP  66 -18.377  17.485   5.611
  534    HA   TRP  66           HA       TRP  66 -20.835  16.526   6.639
  535   1HB   TRP  66          2HB       TRP  66 -20.175  18.220   4.637
  536   2HB   TRP  66          1HB       TRP  66 -20.564  16.780   3.702
  537    HD1  TRP  66           HD       TRP  66 -22.182  19.293   6.121
  538    HE1  TRP  66           1HE      TRP  66 -24.734  19.192   5.809
  539    HE3  TRP  66           3HE      TRP  66 -22.452  15.323   2.909
  540    HZ2  TRP  66           2HZ      TRP  66 -26.614  17.636   4.389
  541    HZ3  TRP  66           3HZ      TRP  66 -24.666  14.591   2.122
  542    HH2  TRP  66           HH       TRP  66 -26.702  15.725   2.849
  543    H    ALA  67           H        ALA  67 -18.638  15.250   4.149
  544    HA   ALA  67           HA       ALA  67 -20.137  12.939   3.567
  545   1HB   ALA  67          1HB       ALA  67 -18.145  14.029   2.300
  546   2HB   ALA  67          2HB       ALA  67 -18.365  12.280   2.239
  547   3HB   ALA  67          3HB       ALA  67 -17.159  12.981   3.320
  548    H    LEU  68           H        LEU  68 -17.585  13.576   5.920
  549    HA   LEU  68           HA       LEU  68 -17.208  10.907   6.754
  550   1HB   LEU  68          2HB       LEU  68 -15.655  12.810   7.200
  551   2HB   LEU  68          1HB       LEU  68 -16.804  13.418   8.378
  552    HG   LEU  68           HG       LEU  68 -16.508  11.413   9.739
  553   1HD1  LEU  68          1HD1      LEU  68 -14.351  10.062   8.924
  554   2HD1  LEU  68          2HD1      LEU  68 -15.017  10.510   7.355
  555   3HD1  LEU  68          3HD1      LEU  68 -15.997   9.593   8.498
  556   1HD2  LEU  68          1HD2      LEU  68 -14.632  12.179  10.730
  557   2HD2  LEU  68          2HD2      LEU  68 -14.807  13.487   9.560
  558   3HD2  LEU  68          3HD2      LEU  68 -13.700  12.154   9.232
  559    H    LYS  69           H        LYS  69 -19.247  13.519   8.032
  560    HA   LYS  69           HA       LYS  69 -20.286  12.054  10.207
  561   1HB   LYS  69          2HB       LYS  69 -20.566  14.657   9.146
  562   2HB   LYS  69          1HB       LYS  69 -22.187  13.987   9.249
  563   1HG   LYS  69          2HG       LYS  69 -21.532  13.330  11.648
  564   2HG   LYS  69          1HG       LYS  69 -20.214  14.485  11.441
  565   1HD   LYS  69          2HD       LYS  69 -21.614  16.284  11.419
  566   2HD   LYS  69          1HD       LYS  69 -22.941  15.378  10.690
  567   1HE   LYS  69          2HE       LYS  69 -23.054  14.143  12.944
  568   2HE   LYS  69          1HE       LYS  69 -22.077  15.476  13.561
  569   1HZ   LYS  69          1HZ       LYS  69 -24.092  16.372  13.935
  570   2HZ   LYS  69          2HZ       LYS  69 -24.866  15.442  12.753
  571   3HZ   LYS  69          3HZ       LYS  69 -23.993  16.819  12.305
  572    H    VAL  70           H        VAL  70 -21.594  12.681   6.959
  573    HA   VAL  70           HA       VAL  70 -23.952  11.146   7.347
  574    HB   VAL  70           HB       VAL  70 -24.203  11.245   4.894
  575   1HG1  VAL  70          1HG1      VAL  70 -25.096  13.094   6.034
  576   2HG1  VAL  70          2HG1      VAL  70 -24.141  13.785   4.722
  577   3HG1  VAL  70          3HG1      VAL  70 -23.499  13.768   6.364
  578   1HG2  VAL  70          1HG2      VAL  70 -22.193  11.117   3.843
  579   2HG2  VAL  70          2HG2      VAL  70 -21.366  12.080   5.067
  580   3HG2  VAL  70          3HG2      VAL  70 -22.370  12.872   3.852
  581    H    ALA  71           H        ALA  71 -20.759  10.406   6.034
  582    HA   ALA  71           HA       ALA  71 -21.273   7.911   4.921
  583   1HB   ALA  71          1HB       ALA  71 -19.155   8.982   4.572
  584   2HB   ALA  71          2HB       ALA  71 -18.869   7.429   5.358
  585   3HB   ALA  71          3HB       ALA  71 -18.787   8.921   6.295
  586    H    GLU  72           H        GLU  72 -20.381   8.750   8.249
  587    HA   GLU  72           HA       GLU  72 -20.434   6.068   9.197
  588   1HB   GLU  72          2HB       GLU  72 -20.369   7.087  11.442
  589   2HB   GLU  72          1HB       GLU  72 -19.153   7.767  10.371
  590   1HG   GLU  72          2HG       GLU  72 -20.390   9.766  10.089
  591   2HG   GLU  72          1HG       GLU  72 -21.812   9.071  10.866
  592    H    ASN  73           H        ASN  73 -22.782   8.686   9.044
  593    HA   ASN  73           HA       ASN  73 -24.757   7.423  10.638
  594   1HB   ASN  73          2HB       ASN  73 -24.527   9.913   9.899
  595   2HB   ASN  73          1HB       ASN  73 -25.437   9.392   8.483
  596   1HD2  ASN  73          1HD2      ASN  73 -27.309  10.438   8.877
  597   2HD2  ASN  73          2HD2      ASN  73 -28.328  10.126  10.237
  598    H    GLU  74           H        GLU  74 -24.170   7.532   7.154
  599    HA   GLU  74           HA       GLU  74 -26.510   5.964   6.552
  600   1HB   GLU  74          2HB       GLU  74 -24.191   6.793   4.800
  601   2HB   GLU  74          1HB       GLU  74 -25.671   6.033   4.231
  602   1HG   GLU  74          2HG       GLU  74 -25.396   8.744   5.505
  603   2HG   GLU  74          1HG       GLU  74 -25.795   8.386   3.824
  604    H    LEU  75           H        LEU  75 -23.013   5.401   6.646
  605    HA   LEU  75           HA       LEU  75 -23.439   2.583   6.011
  606   1HB   LEU  75          2HB       LEU  75 -21.649   3.957   4.898
  607   2HB   LEU  75          1HB       LEU  75 -20.821   4.005   6.441
  608    HG   LEU  75           HG       LEU  75 -21.544   1.329   5.371
  609   1HD1  LEU  75          1HD1      LEU  75 -20.478   2.950   3.560
  610   2HD1  LEU  75          2HD1      LEU  75 -20.022   1.252   3.689
  611   3HD1  LEU  75          3HD1      LEU  75 -18.998   2.496   4.404
  612   1HD2  LEU  75          1HD2      LEU  75 -20.195   2.159   7.548
  613   2HD2  LEU  75          2HD2      LEU  75 -18.863   1.979   6.406
  614   3HD2  LEU  75          3HD2      LEU  75 -19.915   0.609   6.755
  615    H    GLY  76           H        GLY  76 -21.640   4.456   8.472
  616   1HA   GLY  76          2HA       GLY  76 -21.989   3.951  10.831
  617   2HA   GLY  76          1HA       GLY  76 -22.230   2.272  10.373
  618    H    ILE  77           H        ILE  77 -19.682   4.236   9.005
  619    HA   ILE  77           HA       ILE  77 -17.718   2.433  10.208
  620    HB   ILE  77           HB       ILE  77 -17.641   2.766   7.768
  621   1HG1  ILE  77          2HG1      ILE  77 -15.131   4.092   8.509
  622   2HG1  ILE  77          1HG1      ILE  77 -15.529   2.719   9.535
  623   1HG2  ILE  77          1HG2      ILE  77 -18.206   5.374   8.287
  624   2HG2  ILE  77          2HG2      ILE  77 -17.603   4.761   6.748
  625   3HG2  ILE  77          3HG2      ILE  77 -16.482   5.452   7.921
  626   1HD1  ILE  77          1HD1      ILE  77 -14.710   1.380   7.986
  627   2HD1  ILE  77          2HD1      ILE  77 -14.447   2.745   6.900
  628   3HD1  ILE  77          3HD1      ILE  77 -15.993   1.898   6.891
  629    H    THR  78           H        THR  78 -16.384   3.036  11.788
  630    HA   THR  78           HA       THR  78 -16.644   5.614  12.990
  631    HB   THR  78           HB       THR  78 -14.672   3.396  13.571
  632    HG1  THR  78           1HG      THR  78 -17.156   4.018  14.788
  633   1HG2  THR  78          1HG2      THR  78 -13.890   5.428  14.579
  634   2HG2  THR  78          2HG2      THR  78 -14.564   4.379  15.825
  635   3HG2  THR  78          3HG2      THR  78 -15.491   5.759  15.239
  636    HA   PRO  79           HA       PRO  79 -13.669   7.778  10.458
  637   1HB   PRO  79          2HB       PRO  79 -13.420   9.441  12.916
  638   2HB   PRO  79          1HB       PRO  79 -13.731   9.936  11.249
  639   1HG   PRO  79          2HG       PRO  79 -15.692   9.927  13.046
  640   2HG   PRO  79          1HG       PRO  79 -15.987   9.416  11.374
  641   1HD   PRO  79          2HD       PRO  79 -15.680   7.758  13.838
  642   2HD   PRO  79          1HD       PRO  79 -16.748   7.518  12.441
  643    H    VAL  80           H        VAL  80 -11.526   7.560  10.188
  644    HA   VAL  80           HA       VAL  80  -9.938   6.638  12.493
  645    HB   VAL  80           HB       VAL  80  -9.370   6.101   9.577
  646   1HG1  VAL  80          1HG1      VAL  80  -7.784   4.451  10.447
  647   2HG1  VAL  80          2HG1      VAL  80  -8.177   4.944  12.094
  648   3HG1  VAL  80          3HG1      VAL  80  -7.390   6.079  10.998
  649   1HG2  VAL  80          1HG2      VAL  80 -11.440   5.000  10.280
  650   2HG2  VAL  80          2HG2      VAL  80 -10.590   4.271  11.642
  651   3HG2  VAL  80          3HG2      VAL  80 -10.153   3.829   9.991
  652    H    VAL  81           H        VAL  81 -10.270   9.066  10.085
  653    HA   VAL  81           HA       VAL  81  -7.814  10.337  11.051
  654    HB   VAL  81           HB       VAL  81  -8.539  10.274   8.121
  655   1HG1  VAL  81          1HG1      VAL  81  -6.399  11.555   9.740
  656   2HG1  VAL  81          2HG1      VAL  81  -7.285  12.172   8.345
  657   3HG1  VAL  81          3HG1      VAL  81  -5.999  10.987   8.120
  658   1HG2  VAL  81          1HG2      VAL  81  -6.821   8.677   7.759
  659   2HG2  VAL  81          2HG2      VAL  81  -7.832   8.044   9.057
  660   3HG2  VAL  81          3HG2      VAL  81  -6.276   8.783   9.433
  661    H    SER  82           H        SER  82  -7.765  12.650  10.726
  662    HA   SER  82           HA       SER  82 -10.418  13.806  10.938
  663   1HB   SER  82          2HB       SER  82  -7.673  15.046  11.255
  664   2HB   SER  82          1HB       SER  82  -9.198  15.877  11.562
  665    HG   SER  82           HG       SER  82  -8.006  13.759  12.983
  666    H    ALA  83           H        ALA  83 -10.958  15.807   9.779
  667    HA   ALA  83           HA       ALA  83 -10.689  15.491   6.990
  668   1HB   ALA  83          1HB       ALA  83 -11.847  17.669   6.846
  669   2HB   ALA  83          2HB       ALA  83 -11.667  17.852   8.591
  670   3HB   ALA  83          3HB       ALA  83 -12.647  16.539   7.938
  671    H    GLN  84           H        GLN  84  -9.164  17.713   9.289
  672    HA   GLN  84           HA       GLN  84  -7.784  19.291   7.431
  673   1HB   GLN  84          2HB       GLN  84  -7.977  19.119  10.225
  674   2HB   GLN  84          1HB       GLN  84  -6.267  18.930   9.866
  675   1HG   GLN  84          2HG       GLN  84  -6.315  21.011   8.579
  676   2HG   GLN  84          1HG       GLN  84  -8.024  21.203   8.966
  677   1HE2  GLN  84          1HE2      GLN  84  -6.829  23.286   9.695
  678   2HE2  GLN  84          2HE2      GLN  84  -6.399  23.331  11.367
  679    H    ALA  85           H        ALA  85  -7.008  16.188   8.880
  680    HA   ALA  85           HA       ALA  85  -4.299  16.094   8.047
  681   1HB   ALA  85          1HB       ALA  85  -6.256  14.187   9.170
  682   2HB   ALA  85          2HB       ALA  85  -4.605  14.550   9.672
  683   3HB   ALA  85          3HB       ALA  85  -4.894  13.497   8.287
  684    H    VAL  86           H        VAL  86  -7.286  14.763   6.647
  685    HA   VAL  86           HA       VAL  86  -5.978  13.577   4.418
  686    HB   VAL  86           HB       VAL  86  -8.244  13.357   3.445
  687   1HG1  VAL  86          1HG1      VAL  86  -8.397  12.564   6.329
  688   2HG1  VAL  86          2HG1      VAL  86  -7.217  11.828   5.245
  689   3HG1  VAL  86          3HG1      VAL  86  -8.941  11.683   4.901
  690   1HG2  VAL  86          1HG2      VAL  86  -9.089  14.891   5.899
  691   2HG2  VAL  86          2HG2      VAL  86 -10.187  14.028   4.825
  692   3HG2  VAL  86          3HG2      VAL  86  -9.262  15.400   4.221
  693    H    VAL  87           H        VAL  87  -7.766  16.620   4.850
  694    HA   VAL  87           HA       VAL  87  -7.637  17.476   2.179
  695    HB   VAL  87           HB       VAL  87  -7.693  19.221   4.647
  696   1HG1  VAL  87          1HG1      VAL  87  -7.139  20.478   2.657
  697   2HG1  VAL  87          2HG1      VAL  87  -8.790  20.850   3.154
  698   3HG1  VAL  87          3HG1      VAL  87  -8.503  19.767   1.793
  699   1HG2  VAL  87          1HG2      VAL  87  -9.513  17.334   4.151
  700   2HG2  VAL  87          2HG2      VAL  87 -10.157  18.611   3.121
  701   3HG2  VAL  87          3HG2      VAL  87  -9.933  18.898   4.846
  702    H    ALA  88           H        ALA  88  -5.341  17.691   4.818
  703    HA   ALA  88           HA       ALA  88  -3.581  19.474   3.373
  704   1HB   ALA  88          1HB       ALA  88  -3.805  19.580   5.832
  705   2HB   ALA  88          2HB       ALA  88  -2.140  19.338   5.302
  706   3HB   ALA  88          3HB       ALA  88  -3.068  17.981   5.942
  707    H    GLY  89           H        GLY  89  -4.140  16.125   3.438
  708   1HA   GLY  89          2HA       GLY  89  -3.021  14.335   2.542
  709   2HA   GLY  89          1HA       GLY  89  -2.238  15.514   1.503
  710    H    SER  90           H        SER  90  -1.897  15.665   4.966
  711    HA   SER  90           HA       SER  90   0.929  14.905   4.656
  712   1HB   SER  90          2HB       SER  90   0.039  16.310   7.115
  713   2HB   SER  90          1HB       SER  90   1.511  16.518   6.166
  714    HG   SER  90           HG       SER  90  -0.555  18.080   6.153
  715    H    ASP  91           H        ASP  91  -1.098  12.931   4.928
  716    HA   ASP  91           HA       ASP  91  -0.101  11.596   7.304
  717   1HB   ASP  91          2HB       ASP  91  -2.887  12.572   7.018
  718   2HB   ASP  91          1HB       ASP  91  -2.693  10.935   7.639
  719    HA   PRO  92           HA       PRO  92  -0.663   9.075   3.323
  720   1HB   PRO  92          2HB       PRO  92   1.958   8.115   4.366
  721   2HB   PRO  92          1HB       PRO  92   1.468   8.468   2.705
  722   1HG   PRO  92          2HG       PRO  92   3.045  10.146   4.040
  723   2HG   PRO  92          1HG       PRO  92   1.776  10.754   2.958
  724   1HD   PRO  92          2HD       PRO  92   1.829  10.629   5.941
  725   2HD   PRO  92          1HD       PRO  92   1.135  11.868   4.874
  726    H    LEU  93           H        LEU  93   0.667   8.164   6.495
  727    HA   LEU  93           HA       LEU  93  -0.057   5.443   6.357
  728   1HB   LEU  93          2HB       LEU  93   1.239   7.153   8.193
  729   2HB   LEU  93          1HB       LEU  93  -0.079   6.397   9.068
  730    HG   LEU  93           HG       LEU  93   0.846   4.178   8.102
  731   1HD1  LEU  93          1HD1      LEU  93   2.449   5.636   6.626
  732   2HD1  LEU  93          2HD1      LEU  93   2.990   4.095   7.295
  733   3HD1  LEU  93          3HD1      LEU  93   3.458   5.608   8.073
  734   1HD2  LEU  93          1HD2      LEU  93   1.075   4.225  10.352
  735   2HD2  LEU  93          2HD2      LEU  93   1.807   5.830  10.356
  736   3HD2  LEU  93          3HD2      LEU  93   2.779   4.418   9.938
  737    H    GLY  94           H        GLY  94  -1.719   8.287   7.643
  738   1HA   GLY  94          2HA       GLY  94  -3.903   6.874   8.778
  739   2HA   GLY  94          1HA       GLY  94  -3.876   8.586   8.384
  740    H    LEU  95           H        LEU  95  -3.403   8.367   5.611
  741    HA   LEU  95           HA       LEU  95  -6.016   8.096   4.644
  742   1HB   LEU  95          2HB       LEU  95  -3.609   9.051   3.667
  743   2HB   LEU  95          1HB       LEU  95  -3.961   7.696   2.613
  744    HG   LEU  95           HG       LEU  95  -6.345   8.864   2.502
  745   1HD1  LEU  95          1HD1      LEU  95  -5.805  11.386   2.329
  746   2HD1  LEU  95          2HD1      LEU  95  -4.459  11.004   3.403
  747   3HD1  LEU  95          3HD1      LEU  95  -6.115  10.683   3.917
  748   1HD2  LEU  95          1HD2      LEU  95  -5.433   8.614   0.448
  749   2HD2  LEU  95          2HD2      LEU  95  -3.849   9.201   0.956
  750   3HD2  LEU  95          3HD2      LEU  95  -5.148  10.346   0.618
  751    H    ILE  96           H        ILE  96  -3.263   5.872   4.532
  752    HA   ILE  96           HA       ILE  96  -4.546   3.888   2.964
  753    HB   ILE  96           HB       ILE  96  -2.297   3.477   4.937
  754   1HG1  ILE  96          2HG1      ILE  96  -1.882   3.886   1.999
  755   2HG1  ILE  96          1HG1      ILE  96  -2.089   5.291   3.041
  756   1HG2  ILE  96          1HG2      ILE  96  -2.749   1.343   4.367
  757   2HG2  ILE  96          2HG2      ILE  96  -1.832   1.758   2.919
  758   3HG2  ILE  96          3HG2      ILE  96  -3.593   1.803   2.887
  759   1HD1  ILE  96          1HD1      ILE  96   0.106   3.270   3.016
  760   2HD1  ILE  96          2HD1      ILE  96  -0.221   4.226   4.460
  761   3HD1  ILE  96          3HD1      ILE  96   0.202   5.029   2.949
  762    H    ALA  97           H        ALA  97  -4.212   4.378   6.451
  763    HA   ALA  97           HA       ALA  97  -5.333   1.951   7.296
  764   1HB   ALA  97          1HB       ALA  97  -5.497   2.917   9.440
  765   2HB   ALA  97          2HB       ALA  97  -5.605   4.549   8.783
  766   3HB   ALA  97          3HB       ALA  97  -4.084   3.661   8.690
  767    H    TYR  98           H        TYR  98  -6.833   5.090   6.608
  768    HA   TYR  98           HA       TYR  98  -9.455   4.308   7.358
  769   1HB   TYR  98          2HB       TYR  98  -8.518   6.686   7.076
  770   2HB   TYR  98          1HB       TYR  98  -8.826   6.469   5.356
  771    HD1  TYR  98           1HD      TYR  98 -10.854   5.380   8.287
  772    HD2  TYR  98           2HD      TYR  98 -10.597   7.902   4.871
  773    HE1  TYR  98           1HE      TYR  98 -13.190   6.067   8.627
  774    HE2  TYR  98           2HE      TYR  98 -12.932   8.598   5.202
  775    HH   TYR  98           HH       TYR  98 -14.980   7.721   6.288
  776    H    LEU  99           H        LEU  99  -7.753   4.431   4.255
  777    HA   LEU  99           HA       LEU  99  -9.898   3.744   2.598
  778   1HB   LEU  99          2HB       LEU  99  -6.936   3.594   2.399
  779   2HB   LEU  99          1HB       LEU  99  -7.867   2.664   1.241
  780    HG   LEU  99           HG       LEU  99  -8.370   5.598   1.661
  781   1HD1  LEU  99          1HD1      LEU  99  -5.931   4.760   0.937
  782   2HD1  LEU  99          2HD1      LEU  99  -6.676   6.229   0.308
  783   3HD1  LEU  99          3HD1      LEU  99  -6.727   4.741  -0.636
  784   1HD2  LEU  99          1HD2      LEU  99  -8.916   5.111  -0.903
  785   2HD2  LEU  99          2HD2      LEU  99 -10.102   4.884   0.382
  786   3HD2  LEU  99          3HD2      LEU  99  -9.210   3.499  -0.251
  787    H    SER 100           H        SER 100  -7.791   1.776   4.584
  788    HA   SER 100           HA       SER 100  -8.454  -0.734   3.466
  789   1HB   SER 100          2HB       SER 100  -7.415   0.041   6.196
  790   2HB   SER 100          1HB       SER 100  -7.616  -1.630   5.676
  791    HG   SER 100           HG       SER 100  -5.981  -1.424   4.303
  792    H    HIS 101           H        HIS 101  -9.898   1.224   6.008
  793    HA   HIS 101           HA       HIS 101 -11.710  -0.765   6.928
  794   1HB   HIS 101          2HB       HIS 101 -10.956   1.787   7.747
  795   2HB   HIS 101          1HB       HIS 101 -12.648   1.967   7.293
  796    HD1  HIS 101           1HD      HIS 101 -11.285  -1.177   8.850
  797    HD2  HIS 101           2HD      HIS 101 -13.606   2.111   9.884
  798    HE1  HIS 101           1HE      HIS 101 -12.248  -1.717  11.110
  799    HE2  HIS 101           2HE      HIS 101 -13.577   0.323  11.753
  800    H    PHE 102           H        PHE 102 -12.012   1.946   4.662
  801    HA   PHE 102           HA       PHE 102 -14.757   1.520   4.088
  802   1HB   PHE 102          2HB       PHE 102 -12.562   3.174   2.986
  803   2HB   PHE 102          1HB       PHE 102 -13.878   2.806   1.875
  804    HD1  PHE 102           1HD      PHE 102 -15.478   4.429   1.727
  805    HD2  PHE 102           2HD      PHE 102 -13.545   3.794   5.464
  806    HE1  PHE 102           1HE      PHE 102 -16.824   6.232   2.724
  807    HE2  PHE 102           2HE      PHE 102 -14.887   5.596   6.469
  808    HZ   PHE 102           HZ       PHE 102 -16.529   6.817   5.098
  809    H    HIS 103           H        HIS 103 -11.765   0.341   2.666
  810    HA   HIS 103           HA       HIS 103 -12.851  -0.786   0.332
  811   1HB   HIS 103          2HB       HIS 103 -10.380  -0.400   0.962
  812   2HB   HIS 103          1HB       HIS 103 -10.490  -1.949   1.792
  813    HD1  HIS 103           1HD      HIS 103  -8.517  -1.964  -0.366
  814    HD2  HIS 103           2HD      HIS 103 -12.542  -2.646  -1.138
  815    HE1  HIS 103           1HE      HIS 103  -8.581  -3.199  -2.555
  816    HE2  HIS 103           2HE      HIS 103 -11.021  -3.677  -2.958
  817    H    SER 104           H        SER 104 -12.101  -2.282   3.476
  818    HA   SER 104           HA       SER 104 -13.092  -4.837   2.819
  819   1HB   SER 104          2HB       SER 104 -13.240  -5.067   5.382
  820   2HB   SER 104          1HB       SER 104 -11.653  -4.748   4.682
  821    HG   SER 104           HG       SER 104 -13.399  -2.827   5.830
  822    H    ALA 105           H        ALA 105 -14.599  -2.057   4.421
  823    HA   ALA 105           HA       ALA 105 -17.057  -3.326   4.997
  824   1HB   ALA 105          1HB       ALA 105 -16.913  -1.442   6.240
  825   2HB   ALA 105          2HB       ALA 105 -17.789  -0.752   4.873
  826   3HB   ALA 105          3HB       ALA 105 -16.040  -0.552   4.992
  827    H    PHE 106           H        PHE 106 -15.997  -1.313   2.274
  828    HA   PHE 106           HA       PHE 106 -18.486  -1.261   0.943
  829   1HB   PHE 106          2HB       PHE 106 -15.649  -0.745   0.113
  830   2HB   PHE 106          1HB       PHE 106 -16.928  -0.783  -1.095
  831    HD1  PHE 106           1HD      PHE 106 -17.063   0.536   2.379
  832    HD2  PHE 106           2HD      PHE 106 -17.095   1.427  -1.781
  833    HE1  PHE 106           1HE      PHE 106 -17.609   2.877   2.889
  834    HE2  PHE 106           2HE      PHE 106 -17.641   3.773  -1.278
  835    HZ   PHE 106           HZ       PHE 106 -17.899   4.501   1.061
  836    H    LYS 107           H        LYS 107 -15.868  -3.570   1.007
  837    HA   LYS 107           HA       LYS 107 -16.683  -5.025  -1.312
  838   1HB   LYS 107          2HB       LYS 107 -14.500  -5.068   0.491
  839   2HB   LYS 107          1HB       LYS 107 -15.219  -6.673   0.527
  840   1HG   LYS 107          2HG       LYS 107 -14.457  -7.182  -1.502
  841   2HG   LYS 107          1HG       LYS 107 -14.921  -5.617  -2.170
  842   1HD   LYS 107          2HD       LYS 107 -12.549  -5.779  -2.332
  843   2HD   LYS 107          1HD       LYS 107 -12.907  -4.643  -1.030
  844   1HE   LYS 107          2HE       LYS 107 -12.542  -6.409   0.617
  845   2HE   LYS 107          1HE       LYS 107 -12.204  -7.556  -0.679
  846   1HZ   LYS 107          1HZ       LYS 107 -10.295  -6.215  -1.314
  847   2HZ   LYS 107          2HZ       LYS 107 -10.169  -6.706   0.301
  848   3HZ   LYS 107          3HZ       LYS 107 -10.620  -5.117  -0.067
  849    H    SER 108           H        SER 108 -17.534  -5.088   2.063
  850    HA   SER 108           HA       SER 108 -19.018  -7.587   1.726
  851   1HB   SER 108          2HB       SER 108 -18.038  -6.021   4.070
  852   2HB   SER 108          1HB       SER 108 -19.477  -7.019   4.285
  853    HG   SER 108           HG       SER 108 -17.668  -8.249   4.757
  854    H    MET 109           H        MET 109 -19.955  -5.331   0.304
  855    HA   MET 109           HA       MET 109 -22.448  -4.717   1.749
  856   1HB   MET 109          2HB       MET 109 -20.773  -2.840   1.006
  857   2HB   MET 109          1HB       MET 109 -21.496  -3.091  -0.578
  858   1HG   MET 109          2HG       MET 109 -23.394  -2.762   1.644
  859   2HG   MET 109          1HG       MET 109 -22.417  -1.347   1.255
  860   1HE   MET 109          1HE       MET 109 -25.331  -1.816   1.381
  861   2HE   MET 109          2HE       MET 109 -26.218  -2.239  -0.082
  862   3HE   MET 109          3HE       MET 109 -25.731  -0.568   0.202