*HEADER    PROTEIN BINDING                         25-DEC-13   2MJ5              
*TITLE     STRUCTURE OF THE UBA DOMAIN OF HUMAN NBR1 IN COMPLEX WITH UBIQUITIN   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: POLYUBIQUITIN-C;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUSES 1-76;                                        
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: NEXT TO BRCA1 GENE 1 PROTEIN;                              
*COMPND   8 CHAIN: B;                                                            
*COMPND   9 FRAGMENT: UNP RESIDUES 916-959;                                      
*COMPND  10 SYNONYM: CELL MIGRATION-INDUCING GENE 19 PROTEIN, MEMBRANE COMPONENT 
*COMPND  11 CHROMOSOME 17 SURFACE MARKER 2, NEIGHBOR OF BRCA1 GENE 1 PROTEIN,    
*COMPND  12 PROTEIN 1A1-3B;                                                      
*COMPND  13 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: UBC;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PGEX-6P1;                                  
*SOURCE  10 MOL_ID: 2;                                                           
*SOURCE  11 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  12 ORGANISM_COMMON: HUMAN;                                              
*SOURCE  13 ORGANISM_TAXID: 9606;                                                
*SOURCE  14 GENE: NBR1, 1A13B, KIAA0049, M17S2, MIG19;                           
*SOURCE  15 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  16 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE  17 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE  18 EXPRESSION_SYSTEM_VECTOR: PGEX-6P1                                   
*KEYWDS    AUTOPHAGY, PROTEIN DEGRADATION, UBIQUITIN BINDING, PROTEIN BINDING    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    E.WALINDA, D.MORIMOTO, K.SUGASE, M.KOMATSU, H.TOCHIO, M.SHIRAKAWA     
*REVDAT   1   09-APR-14 2MJ5    0                                                

# unambigtbldata 

assign (segid A and resid 21 and name  HA1)(segid B and resid 46 and name HB# )   4.874  3.000 2.000 ! 
assign (segid A and resid 21 and name  HA1)(segid B and resid 46 and name HA  )   4.343  3.000 2.000 ! 
assign (segid A and resid 20 and name  HE#)(segid B and resid 68 and name HB2 )   3.111  3.000 2.000 ! 
assign (segid A and resid 20 and name  HE#)(segid B and resid 70 and name HG2# )   2.533  3.000 2.000 ! 
assign (segid A and resid 47 and name  HD1#)(segid B and resid 44 and name HD1# )   3.134  3.000 2.000 ! 
assign (segid A and resid 43 and name  HG2#)(segid B and resid 70 and name HA )   3.339  3.000 2.000 ! 
assign (segid A and resid 39 and name  HG2#)(segid B and resid 8 and name HD# )   2.884  3.000 2.000 ! 
assign (segid A and resid 39 and name  HD1#)(segid B and resid 8 and name HD# )   3.459  3.000 2.000 ! 
assign (segid A and resid 39 and name  HD1#)(segid B and resid 8 and name HA )   4.529  3.000 2.000 ! 
assign (segid A and resid 43 and name  HG1#)(segid B and resid 70 and name HG2# )   2.696  3.000 2.000 ! 
assign (segid A and resid 43 and name  HG1#)(segid B and resid 44 and name HG1 )   3.428  3.000 2.000 ! 
assign (segid A and resid 44 and name  HG1)(segid B and resid 72 and name HB# )   3.725  3.000 2.000 ! 
assign (segid A and resid 43 and name  HG2#)(segid B and resid 70 and name HG2# )   2.641  3.000 2.000 ! 
assign (segid A and resid 20 and name  HE# )(segid B and resid 70 and name HG )   3.184  3.000 2.000 ! 
assign (segid A and resid 20 and name  HE# )(segid B and resid 8 and name HA )   3.439  3.000 2.000 ! 
assign (segid A and resid 21 and name  HA1 )(segid B and resid 47 and name HN )   3.439  3.000 2.000 ! 
assign (segid A and resid 39 and name  HB )(segid B and resid 8 and name HD# )   4.223  3.000 2.000 ! 
assign (segid A and resid 39 and name  HG2# )(segid B and resid 8 and name HB# )   3.350  3.000 2.000 !


# rdcdata 
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid    2 and name N and segid A )
     ( resid    2 and name HN and segid A )  -1.247   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid    4 and name N and segid A )
     ( resid    4 and name HN and segid A )  13.457   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid    5 and name N and segid A )
     ( resid    5 and name HN and segid A )   8.371   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid    7 and name N and segid A )
     ( resid    7 and name HN and segid A )  -4.636   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   10 and name N and segid A )
     ( resid   10 and name HN and segid A ) -10.939   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   11 and name N and segid A )
     ( resid   11 and name HN and segid A )  -4.271   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   12 and name N and segid A )
     ( resid   12 and name HN and segid A )  -7.611   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   13 and name N and segid A )
     ( resid   13 and name HN and segid A )   7.392   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   14 and name N and segid A )
     ( resid   14 and name HN and segid A )   7.836   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   15 and name N and segid A )
     ( resid   15 and name HN and segid A )  13.299   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   16 and name N and segid A )
     ( resid   16 and name HN and segid A )   5.926   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   23 and name N and segid A )
     ( resid   23 and name HN and segid A )   0.103   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   25 and name N and segid A )
     ( resid   25 and name HN and segid A )  -1.217   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   26 and name N and segid A )
     ( resid   26 and name HN and segid A )   0.341   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   27 and name N and segid A )
     ( resid   27 and name HN and segid A )  -9.612   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   28 and name N and segid A )
     ( resid   28 and name HN and segid A )  -8.456   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   29 and name N and segid A )
     ( resid   29 and name HN and segid A )   3.973   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   31 and name N and segid A )
     ( resid   31 and name HN and segid A )  -9.716   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   32 and name N and segid A )
     ( resid   32 and name HN and segid A )  -5.348   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   33 and name N and segid A )
     ( resid   33 and name HN and segid A )   3.492   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   39 and name N and segid A )
     ( resid   39 and name HN and segid A )  15.118   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   42 and name N and segid A )
     ( resid   42 and name HN and segid A ) -18.124   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   43 and name N and segid A )
     ( resid   43 and name HN and segid A ) -18.069   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   44 and name N and segid A )
     ( resid   44 and name HN and segid A )  -9.856   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   56 and name N and segid A )
     ( resid   56 and name HN and segid A )  19.322   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   58 and name N and segid A )
     ( resid   58 and name HN and segid A )  12.691   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   66 and name N and segid A )
     ( resid   66 and name HN and segid A )  16.061   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   67 and name N and segid A )
     ( resid   67 and name HN and segid A )  14.771   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   70 and name N and segid A )
     ( resid   70 and name HN and segid A ) -16.949   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   10 and name N and segid B )
     ( resid   10 and name HN and segid B )  -7.945   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   11 and name N and segid B )
     ( resid   11 and name HN and segid B ) -15.301   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   12 and name N and segid B )
     ( resid   12 and name HN and segid B )  -9.679   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   13 and name N and segid B )
     ( resid   13 and name HN and segid B )  -6.437   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   14 and name N and segid B )
     ( resid   14 and name HN and segid B ) -13.470   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   15 and name N and segid B )
     ( resid   15 and name HN and segid B ) -13.354   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   17 and name N and segid B )
     ( resid   17 and name HN and segid B )  -8.578   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   18 and name N and segid B )
     ( resid   18 and name HN and segid B ) -15.623   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   20 and name N and segid B )
     ( resid   20 and name HN and segid B )  -3.005   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   25 and name N and segid B )
     ( resid   25 and name HN and segid B )   2.914   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   26 and name N and segid B )
     ( resid   26 and name HN and segid B )  -3.084   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   27 and name N and segid B )
     ( resid   27 and name HN and segid B )  -2.166   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   28 and name N and segid B )
     ( resid   28 and name HN and segid B )   1.600   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   29 and name N and segid B )
     ( resid   29 and name HN and segid B )   5.932   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   30 and name N and segid B )
     ( resid   30 and name HN and segid B )  -2.227   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   31 and name N and segid B )
     ( resid   31 and name HN and segid B )  -2.519   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   32 and name N and segid B )
     ( resid   32 and name HN and segid B )   4.046   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   33 and name N and segid B )
     ( resid   33 and name HN and segid B )   5.214   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   39 and name N and segid B )
     ( resid   39 and name HN and segid B ) -10.130   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   41 and name N and segid B )
     ( resid   41 and name HN and segid B ) -15.654   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   42 and name N and segid B )
     ( resid   42 and name HN and segid B )  -9.874   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   43 and name N and segid B )
     ( resid   43 and name HN and segid B )  -2.896   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   44 and name N and segid B )
     ( resid   44 and name HN and segid B )  -9.393   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   45 and name N and segid B )
     ( resid   45 and name HN and segid B ) -16.925   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   46 and name N and segid B )
     ( resid   46 and name HN and segid B )  -8.310   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   47 and name N and segid B )
     ( resid   47 and name HN and segid B )  -1.533   0.200
!
assi ( resid 999 and name OO )
     ( resid 999 and name Z  )
     ( resid 999 and name X  )
     ( resid 999 and name Y  )
     ( resid   49 and name N and segid B )
     ( resid   49 and name HN and segid B ) -11.139   0.200
#

  Entry H atom name         Submitted Coord H atom name
    1    H1   MET   1           HT1      MET   1 -20.452   2.195   7.799
    2    H2   MET   1           HT2      MET   1 -19.288   2.178   6.569
    3    H3   MET   1           HT3      MET   1 -19.689   3.637   7.334
    4    HA   MET   1           HA       MET   1 -18.827   2.802   9.421
    5    HB2  MET   1           HB2      MET   1 -17.490   0.753   9.446
    6    HB3  MET   1           HB1      MET   1 -19.158   0.415   9.017
    7    HG2  MET   1           HG2      MET   1 -18.519   0.268   6.658
    8    HG3  MET   1           HG1      MET   1 -16.844   0.588   7.102
    9    HE1  MET   1           HE1      MET   1 -16.551  -3.151   6.176
   10    HE2  MET   1           HE2      MET   1 -16.020  -1.499   5.865
   11    HE3  MET   1           HE3      MET   1 -17.634  -2.015   5.373
   12    H    GLN   2           HN       GLN   2 -17.057   3.912   9.876
   13    HA   GLN   2           HA       GLN   2 -15.488   4.952   7.712
   14    HB2  GLN   2           HB2      GLN   2 -15.598   5.456  10.659
   15    HB3  GLN   2           HB1      GLN   2 -14.239   6.054   9.718
   16    HG2  GLN   2           HG2      GLN   2 -15.831   7.236   8.246
   17    HG3  GLN   2           HG1      GLN   2 -17.144   6.706   9.295
   18   HE21  GLN   2          HE21      GLN   2 -16.209   9.397   8.625
   19   HE22  GLN   2          HE22      GLN   2 -15.856  10.158  10.137
   20    H    ILE   3           HN       ILE   3 -13.476   4.544   7.156
   21    HA   ILE   3           HA       ILE   3 -11.892   2.609   8.715
   22    HB   ILE   3           HB       ILE   3 -10.991   1.731   6.554
   23   HG12  ILE   3          HG12      ILE   3 -13.396   2.986   5.239
   24   HG13  ILE   3          HG11      ILE   3 -11.831   3.791   5.265
   25   HG21  ILE   3          HG21      ILE   3 -12.924   0.294   6.046
   26   HG22  ILE   3          HG22      ILE   3 -13.951   1.364   7.001
   27   HG23  ILE   3          HG23      ILE   3 -12.649   0.463   7.780
   28   HD11  ILE   3          HD11      ILE   3 -10.831   1.982   4.039
   29   HD12  ILE   3          HD12      ILE   3 -12.263   2.552   3.180
   30   HD13  ILE   3          HD13      ILE   3 -12.329   1.058   4.115
   31    H    PHE   4           HN       PHE   4  -9.481   2.787   8.066
   32    HA   PHE   4           HA       PHE   4  -8.917   5.601   7.406
   33    HB2  PHE   4           HB2      PHE   4  -7.318   3.794   9.232
   34    HB3  PHE   4           HB1      PHE   4  -7.024   5.503   8.924
   35    HD1  PHE   4           HD1      PHE   4  -8.613   7.201   9.782
   36    HD2  PHE   4           HD2      PHE   4  -8.944   3.083  10.806
   37    HE1  PHE   4           HE1      PHE   4 -10.078   7.789  11.670
   38    HE2  PHE   4           HE2      PHE   4 -10.410   3.666  12.692
   39    HZ   PHE   4           HZ       PHE   4 -10.979   6.021  13.126
   40    H    VAL   5           HN       VAL   5  -7.298   6.044   6.005
   41    HA   VAL   5           HA       VAL   5  -5.993   3.747   4.690
   42    HB   VAL   5           HB       VAL   5  -6.706   6.418   3.453
   43   HG11  VAL   5          HG11      VAL   5  -4.707   5.498   2.459
   44   HG12  VAL   5          HG12      VAL   5  -6.053   5.331   1.332
   45   HG13  VAL   5          HG13      VAL   5  -5.493   3.934   2.249
   46   HG21  VAL   5          HG21      VAL   5  -8.346   5.161   2.132
   47   HG22  VAL   5          HG22      VAL   5  -8.699   5.079   3.858
   48   HG23  VAL   5          HG23      VAL   5  -7.955   3.702   3.044
   49    H    LYS   6           HN       LYS   6  -3.880   3.665   5.008
   50    HA   LYS   6           HA       LYS   6  -2.489   6.069   5.947
   51    HB2  LYS   6           HB2      LYS   6  -2.462   3.691   7.086
   52    HB3  LYS   6           HB1      LYS   6  -1.222   3.360   5.886
   53    HG2  LYS   6           HG2      LYS   6   0.167   5.108   6.735
   54    HG3  LYS   6           HG1      LYS   6  -1.115   5.670   7.810
   55    HD2  LYS   6           HD2      LYS   6  -1.026   3.461   8.965
   56    HD3  LYS   6           HD1      LYS   6   0.368   3.046   7.964
   57    HE2  LYS   6           HE2      LYS   6   1.626   4.891   8.884
   58    HE3  LYS   6           HE1      LYS   6   0.222   5.433   9.800
   59    HZ1  LYS   6           HZ1      LYS   6   0.300   3.338  11.039
   60    HZ2  LYS   6           HZ2      LYS   6   1.728   4.223  11.214
   61    HZ3  LYS   6           HZ3      LYS   6   1.691   2.874  10.187
   62    H    THR   7           HN       THR   7  -1.141   7.139   4.675
   63    HA   THR   7           HA       THR   7  -0.415   5.937   2.091
   64    HB   THR   7           HB       THR   7   0.245   8.763   2.452
   65    HG1  THR   7           HG1      THR   7  -2.250   7.823   3.208
   66   HG21  THR   7          HG21      THR   7  -0.978   8.954   0.322
   67   HG22  THR   7          HG22      THR   7  -1.486   7.272   0.475
   68   HG23  THR   7          HG23      THR   7   0.222   7.661   0.275
   69    H    LEU   8           HN       LEU   8   1.762   6.387   1.253
   70    HA   LEU   8           HA       LEU   8   3.791   5.648   3.059
   71    HB2  LEU   8           HB2      LEU   8   3.954   6.844   0.294
   72    HB3  LEU   8           HB1      LEU   8   5.334   6.213   1.168
   73    HG   LEU   8           HG       LEU   8   2.937   4.517   0.510
   74   HD11  LEU   8          HD11      LEU   8   5.459   4.920  -1.089
   75   HD12  LEU   8          HD12      LEU   8   3.817   5.335  -1.582
   76   HD13  LEU   8          HD13      LEU   8   4.273   3.645  -1.370
   77   HD21  LEU   8          HD21      LEU   8   4.366   3.676   2.286
   78   HD22  LEU   8          HD22      LEU   8   5.785   3.863   1.256
   79   HD23  LEU   8          HD23      LEU   8   4.540   2.686   0.837
   80    H    THR   9           HN       THR   9   2.502   8.724   2.235
   81    HA   THR   9           HA       THR   9   4.804  10.262   2.990
   82    HB   THR   9           HB       THR   9   2.768  12.047   3.024
   83    HG1  THR   9           HG1      THR   9   1.427  11.224   1.164
   84   HG21  THR   9          HG21      THR   9   4.767  12.135   1.592
   85   HG22  THR   9          HG22      THR   9   3.304  12.485   0.673
   86   HG23  THR   9          HG23      THR   9   4.067  10.901   0.544
   87    H    GLY  10           HN       GLY  10   2.701   8.485   4.791
   88    HA2  GLY  10           HA2      GLY  10   2.551   8.377   7.110
   89    HA3  GLY  10           HA1      GLY  10   3.406   9.910   7.213
   90    H    LYS  11           HN       LYS  11   0.553   9.383   5.279
   91    HA   LYS  11           HA       LYS  11  -0.917  11.202   7.063
   92    HB2  LYS  11           HB2      LYS  11  -0.470  12.195   4.878
   93    HB3  LYS  11           HB1      LYS  11  -1.192  10.806   4.078
   94    HG2  LYS  11           HG2      LYS  11  -3.360  11.365   4.892
   95    HG3  LYS  11           HG1      LYS  11  -2.701  12.624   5.939
   96    HD2  LYS  11           HD2      LYS  11  -3.714  13.591   3.943
   97    HD3  LYS  11           HD1      LYS  11  -1.974  13.881   3.967
   98    HE2  LYS  11           HE2      LYS  11  -1.613  12.095   2.383
   99    HE3  LYS  11           HE1      LYS  11  -3.320  11.657   2.438
  100    HZ1  LYS  11           HZ1      LYS  11  -2.805  12.964   0.474
  101    HZ2  LYS  11           HZ2      LYS  11  -2.232  14.230   1.441
  102    HZ3  LYS  11           HZ3      LYS  11  -3.865  13.807   1.488
  103    H    THR  12           HN       THR  12  -2.875  10.620   7.803
  104    HA   THR  12           HA       THR  12  -3.907   7.990   6.965
  105    HB   THR  12           HB       THR  12  -4.457   9.355   9.605
  106    HG1  THR  12           HG1      THR  12  -2.184   8.843   9.282
  107   HG21  THR  12          HG21      THR  12  -4.701   6.463   8.763
  108   HG22  THR  12          HG22      THR  12  -6.046   7.600   8.861
  109   HG23  THR  12          HG23      THR  12  -5.164   7.150  10.321
  110    H    ILE  13           HN       ILE  13  -5.500   8.297   5.579
  111    HA   ILE  13           HA       ILE  13  -7.312  10.581   5.886
  112    HB   ILE  13           HB       ILE  13  -7.431   8.549   3.661
  113   HG12  ILE  13          HG12      ILE  13  -5.787  11.092   3.659
  114   HG13  ILE  13          HG11      ILE  13  -5.112   9.478   3.862
  115   HG21  ILE  13          HG21      ILE  13  -9.333  10.055   3.886
  116   HG22  ILE  13          HG22      ILE  13  -8.424  10.415   2.417
  117   HG23  ILE  13          HG23      ILE  13  -8.253  11.449   3.835
  118   HD11  ILE  13          HD11      ILE  13  -6.541  10.547   1.441
  119   HD12  ILE  13          HD12      ILE  13  -6.011   8.877   1.638
  120   HD13  ILE  13          HD13      ILE  13  -4.823  10.179   1.591
  121    H    THR  14           HN       THR  14  -9.501  10.355   6.308
  122    HA   THR  14           HA       THR  14 -10.334   7.671   7.179
  123    HB   THR  14           HB       THR  14 -11.726  10.244   7.909
  124    HG1  THR  14           HG1      THR  14  -9.340  10.023   8.513
  125   HG21  THR  14          HG21      THR  14 -11.581   7.530   9.235
  126   HG22  THR  14          HG22      THR  14 -12.950   8.174   8.332
  127   HG23  THR  14          HG23      THR  14 -12.469   8.925   9.852
  128    H    LEU  15           HN       LEU  15 -12.089   6.720   6.226
  129    HA   LEU  15           HA       LEU  15 -13.644   8.357   4.342
  130    HB2  LEU  15           HB2      LEU  15 -12.378   5.675   3.805
  131    HB3  LEU  15           HB1      LEU  15 -13.682   6.321   2.828
  132    HG   LEU  15           HG       LEU  15 -10.994   7.648   3.193
  133   HD11  LEU  15          HD11      LEU  15 -10.591   6.953   0.872
  134   HD12  LEU  15          HD12      LEU  15 -12.088   6.022   0.906
  135   HD13  LEU  15          HD13      LEU  15 -10.749   5.582   1.967
  136   HD21  LEU  15          HD21      LEU  15 -13.349   8.276   1.420
  137   HD22  LEU  15          HD22      LEU  15 -11.751   9.003   1.252
  138   HD23  LEU  15          HD23      LEU  15 -12.693   9.274   2.718
  139    H    GLU  16           HN       GLU  16 -15.703   7.553   3.839
  140    HA   GLU  16           HA       GLU  16 -16.844   5.829   5.938
  141    HB2  GLU  16           HB2      GLU  16 -17.776   8.086   5.980
  142    HB3  GLU  16           HB1      GLU  16 -18.131   8.005   4.262
  143    HG2  GLU  16           HG2      GLU  16 -20.180   7.659   5.317
  144    HG3  GLU  16           HG1      GLU  16 -19.652   6.053   4.822
  145    H    VAL  17           HN       VAL  17 -16.919   3.822   5.117
  146    HA   VAL  17           HA       VAL  17 -17.920   3.532   2.362
  147    HB   VAL  17           HB       VAL  17 -16.629   1.381   2.272
  148   HG11  VAL  17          HG11      VAL  17 -15.825   3.348   1.118
  149   HG12  VAL  17          HG12      VAL  17 -14.462   2.477   1.822
  150   HG13  VAL  17          HG13      VAL  17 -15.068   3.942   2.596
  151   HG21  VAL  17          HG21      VAL  17 -14.694   1.200   3.834
  152   HG22  VAL  17          HG22      VAL  17 -16.265   0.963   4.601
  153   HG23  VAL  17          HG23      VAL  17 -15.412   2.495   4.793
  154    H    GLU  18           HN       GLU  18 -19.102   1.629   1.891
  155    HA   GLU  18           HA       GLU  18 -20.576   0.616   4.232
  156    HB2  GLU  18           HB2      GLU  18 -21.404   0.901   1.335
  157    HB3  GLU  18           HB1      GLU  18 -22.390   0.134   2.575
  158    HG2  GLU  18           HG2      GLU  18 -22.760   2.137   3.694
  159    HG3  GLU  18           HG1      GLU  18 -21.396   2.934   2.915
  160    HA   PRO  19           HA       PRO  19 -19.135  -3.508   3.665
  161    HB2  PRO  19           HB2      PRO  19 -21.572  -4.895   3.541
  162    HB3  PRO  19           HB1      PRO  19 -20.676  -4.493   5.015
  163    HG2  PRO  19           HG2      PRO  19 -23.006  -3.129   3.796
  164    HG3  PRO  19           HG1      PRO  19 -22.588  -3.353   5.506
  165    HD2  PRO  19           HD2      PRO  19 -22.254  -0.996   4.286
  166    HD3  PRO  19           HD1      PRO  19 -21.113  -1.576   5.517
  167    H    SER  20           HN       SER  20 -21.602  -2.340   1.447
  168    HA   SER  20           HA       SER  20 -20.852  -4.391  -0.499
  169    HB2  SER  20           HB2      SER  20 -23.293  -3.807   0.086
  170    HB3  SER  20           HB1      SER  20 -23.034  -2.350  -0.873
  171    HG   SER  20           HG       SER  20 -22.412  -3.757  -2.617
  172    H    ASP  21           HN       ASP  21 -19.230  -1.926   0.262
  173    HA   ASP  21           HA       ASP  21 -19.249  -0.378  -2.195
  174    HB2  ASP  21           HB2      ASP  21 -17.990  -0.128   0.460
  175    HB3  ASP  21           HB1      ASP  21 -16.991   0.424  -0.878
  176    H    THR  22           HN       THR  22 -18.162  -0.939  -3.938
  177    HA   THR  22           HA       THR  22 -16.338  -3.142  -3.938
  178    HB   THR  22           HB       THR  22 -16.388  -1.346  -6.290
  179    HG1  THR  22           HG1      THR  22 -18.491  -1.469  -6.651
  180   HG21  THR  22          HG21      THR  22 -16.932  -4.297  -5.953
  181   HG22  THR  22          HG22      THR  22 -15.356  -3.587  -6.303
  182   HG23  THR  22          HG23      THR  22 -16.666  -3.450  -7.476
  183    H    ILE  23           HN       ILE  23 -14.099  -3.098  -4.365
  184    HA   ILE  23           HA       ILE  23 -12.592  -1.123  -3.136
  185    HB   ILE  23           HB       ILE  23 -11.720  -3.045  -5.297
  186   HG12  ILE  23          HG12      ILE  23 -12.653  -4.179  -3.354
  187   HG13  ILE  23          HG11      ILE  23 -10.910  -4.410  -3.404
  188   HG21  ILE  23          HG21      ILE  23 -10.068  -1.422  -3.366
  189   HG22  ILE  23          HG22      ILE  23 -10.090  -1.279  -5.124
  190   HG23  ILE  23          HG23      ILE  23  -9.445  -2.734  -4.366
  191   HD11  ILE  23          HD11      ILE  23 -10.686  -2.589  -1.729
  192   HD12  ILE  23          HD12      ILE  23 -11.562  -4.006  -1.148
  193   HD13  ILE  23          HD13      ILE  23 -12.444  -2.551  -1.609
  194    H    GLU  24           HN       GLU  24 -13.570  -1.397  -6.507
  195    HA   GLU  24           HA       GLU  24 -11.937   0.619  -7.576
  196    HB2  GLU  24           HB2      GLU  24 -13.215  -0.994  -8.949
  197    HB3  GLU  24           HB1      GLU  24 -14.709  -0.197  -8.471
  198    HG2  GLU  24           HG2      GLU  24 -13.678   1.921  -9.463
  199    HG3  GLU  24           HG1      GLU  24 -12.512   0.838 -10.222
  200    H    ASN  25           HN       ASN  25 -15.065   0.761  -5.950
  201    HA   ASN  25           HA       ASN  25 -15.478   3.539  -6.547
  202    HB2  ASN  25           HB2      ASN  25 -17.360   1.954  -6.088
  203    HB3  ASN  25           HB1      ASN  25 -16.837   1.889  -4.407
  204   HD21  ASN  25          HD21      ASN  25 -18.098   3.979  -6.927
  205   HD22  ASN  25          HD22      ASN  25 -18.759   5.176  -5.864
  206    H    VAL  26           HN       VAL  26 -14.000   1.687  -3.995
  207    HA   VAL  26           HA       VAL  26 -13.809   3.712  -2.046
  208    HB   VAL  26           HB       VAL  26 -11.856   1.456  -2.564
  209   HG11  VAL  26          HG11      VAL  26 -12.316   3.106  -0.079
  210   HG12  VAL  26          HG12      VAL  26 -10.914   3.211  -1.144
  211   HG13  VAL  26          HG13      VAL  26 -11.213   1.737  -0.223
  212   HG21  VAL  26          HG21      VAL  26 -14.085   0.588  -2.210
  213   HG22  VAL  26          HG22      VAL  26 -14.280   1.594  -0.774
  214   HG23  VAL  26          HG23      VAL  26 -13.098   0.284  -0.779
  215    H    LYS  27           HN       LYS  27 -11.740   2.794  -4.755
  216    HA   LYS  27           HA       LYS  27  -9.659   4.627  -4.336
  217    HB2  LYS  27           HB2      LYS  27 -10.745   3.405  -6.876
  218    HB3  LYS  27           HB1      LYS  27  -9.287   4.385  -6.820
  219    HG2  LYS  27           HG2      LYS  27  -8.194   2.779  -5.411
  220    HG3  LYS  27           HG1      LYS  27  -9.683   1.838  -5.269
  221    HD2  LYS  27           HD2      LYS  27  -9.621   1.231  -7.560
  222    HD3  LYS  27           HD1      LYS  27  -8.354   2.408  -7.907
  223    HE2  LYS  27           HE2      LYS  27  -6.826   1.123  -6.443
  224    HE3  LYS  27           HE1      LYS  27  -8.093  -0.086  -6.233
  225    HZ1  LYS  27           HZ1      LYS  27  -6.527  -0.736  -7.953
  226    HZ2  LYS  27           HZ2      LYS  27  -6.849   0.680  -8.819
  227    HZ3  LYS  27           HZ3      LYS  27  -8.066  -0.484  -8.616
  228    H    ALA  28           HN       ALA  28 -12.806   4.940  -5.795
  229    HA   ALA  28           HA       ALA  28 -12.390   7.465  -7.040
  230    HB1  ALA  28           HB1      ALA  28 -14.807   7.552  -7.267
  231    HB2  ALA  28           HB2      ALA  28 -14.980   6.216  -6.129
  232    HB3  ALA  28           HB3      ALA  28 -14.211   5.946  -7.693
  233    H    LYS  29           HN       LYS  29 -13.432   6.418  -3.862
  234    HA   LYS  29           HA       LYS  29 -14.255   8.982  -2.934
  235    HB2  LYS  29           HB2      LYS  29 -13.464   6.486  -1.417
  236    HB3  LYS  29           HB1      LYS  29 -14.160   7.921  -0.674
  237    HG2  LYS  29           HG2      LYS  29 -16.173   7.634  -2.070
  238    HG3  LYS  29           HG1      LYS  29 -15.476   6.152  -2.726
  239    HD2  LYS  29           HD2      LYS  29 -15.480   5.138  -0.523
  240    HD3  LYS  29           HD1      LYS  29 -16.065   6.641   0.196
  241    HE2  LYS  29           HE2      LYS  29 -18.092   6.448  -1.256
  242    HE3  LYS  29           HE1      LYS  29 -17.520   4.858  -1.753
  243    HZ1  LYS  29           HZ1      LYS  29 -17.677   5.284   1.114
  244    HZ2  LYS  29           HZ2      LYS  29 -18.138   3.934   0.188
  245    HZ3  LYS  29           HZ3      LYS  29 -19.157   5.278   0.302
  246    H    ILE  30           HN       ILE  30 -11.245   7.587  -3.515
  247    HA   ILE  30           HA       ILE  30  -9.838   9.384  -1.676
  248    HB   ILE  30           HB       ILE  30  -8.726   7.237  -3.507
  249   HG12  ILE  30          HG12      ILE  30  -9.072   7.171  -0.504
  250   HG13  ILE  30          HG11      ILE  30 -10.169   6.394  -1.640
  251   HG21  ILE  30          HG21      ILE  30  -7.107   8.994  -3.045
  252   HG22  ILE  30          HG22      ILE  30  -6.657   7.502  -2.221
  253   HG23  ILE  30          HG23      ILE  30  -7.395   8.823  -1.314
  254   HD11  ILE  30          HD11      ILE  30  -7.242   5.759  -1.343
  255   HD12  ILE  30          HD12      ILE  30  -8.390   4.944  -2.405
  256   HD13  ILE  30          HD13      ILE  30  -8.570   4.826  -0.654
  257    H    GLN  31           HN       GLN  31 -10.231   8.591  -5.060
  258    HA   GLN  31           HA       GLN  31  -8.439  10.287  -6.278
  259    HB2  GLN  31           HB2      GLN  31  -9.693   8.601  -7.489
  260    HB3  GLN  31           HB1      GLN  31 -11.190   9.481  -7.215
  261    HG2  GLN  31           HG2      GLN  31 -10.046  11.405  -8.478
  262    HG3  GLN  31           HG1      GLN  31  -8.909  10.172  -9.022
  263   HE21  GLN  31          HE21      GLN  31 -12.162  11.349  -9.195
  264   HE22  GLN  31          HE22      GLN  31 -12.664  10.371 -10.529
  265    H    ASP  32           HN       ASP  32 -11.749  11.080  -5.219
  266    HA   ASP  32           HA       ASP  32 -11.830  13.633  -6.393
  267    HB2  ASP  32           HB2      ASP  32 -13.768  14.062  -5.061
  268    HB3  ASP  32           HB1      ASP  32 -13.808  12.368  -5.532
  269    H    LYS  33           HN       LYS  33 -10.592  12.623  -3.253
  270    HA   LYS  33           HA       LYS  33 -10.137  15.408  -2.529
  271    HB2  LYS  33           HB2      LYS  33  -9.205  14.256  -0.381
  272    HB3  LYS  33           HB1      LYS  33 -10.936  14.347  -0.663
  273    HG2  LYS  33           HG2      LYS  33 -10.776  12.028  -1.645
  274    HG3  LYS  33           HG1      LYS  33  -9.129  11.974  -1.017
  275    HD2  LYS  33           HD2      LYS  33 -10.643  10.908   0.547
  276    HD3  LYS  33           HD1      LYS  33 -10.007  12.397   1.250
  277    HE2  LYS  33           HE2      LYS  33 -12.435  12.075   1.642
  278    HE3  LYS  33           HE1      LYS  33 -12.058  13.559   0.777
  279    HZ1  LYS  33           HZ1      LYS  33 -13.977  12.075  -0.041
  280    HZ2  LYS  33           HZ2      LYS  33 -12.760  11.120  -0.725
  281    HZ3  LYS  33           HZ3      LYS  33 -12.927  12.743  -1.187
  282    H    GLU  34           HN       GLU  34  -8.220  12.507  -3.199
  283    HA   GLU  34           HA       GLU  34  -5.764  13.963  -2.698
  284    HB2  GLU  34           HB2      GLU  34  -6.371  11.129  -3.492
  285    HB3  GLU  34           HB1      GLU  34  -4.728  11.759  -3.506
  286    HG2  GLU  34           HG2      GLU  34  -6.569  11.600  -1.132
  287    HG3  GLU  34           HG1      GLU  34  -5.148  10.600  -1.438
  288    H    GLY  35           HN       GLY  35  -7.562  12.775  -5.486
  289    HA2  GLY  35           HA2      GLY  35  -7.464  13.683  -7.642
  290    HA3  GLY  35           HA1      GLY  35  -5.993  14.535  -7.192
  291    H    ILE  36           HN       ILE  36  -5.667  11.439  -6.170
  292    HA   ILE  36           HA       ILE  36  -3.812  10.800  -8.281
  293    HB   ILE  36           HB       ILE  36  -4.596   9.187  -5.844
  294   HG12  ILE  36          HG12      ILE  36  -2.149  10.919  -6.231
  295   HG13  ILE  36          HG11      ILE  36  -3.601  11.473  -5.406
  296   HG21  ILE  36          HG21      ILE  36  -2.463   8.018  -6.212
  297   HG22  ILE  36          HG22      ILE  36  -2.235   8.930  -7.704
  298   HG23  ILE  36          HG23      ILE  36  -3.582   7.802  -7.558
  299   HD11  ILE  36          HD11      ILE  36  -1.903   9.136  -4.568
  300   HD12  ILE  36          HD12      ILE  36  -3.320   9.754  -3.720
  301   HD13  ILE  36          HD13      ILE  36  -1.867  10.745  -3.850
  302    HA   PRO  37           HA       PRO  37  -6.727   8.533 -10.797
  303    HB2  PRO  37           HB2      PRO  37  -4.273   7.100 -11.673
  304    HB3  PRO  37           HB1      PRO  37  -5.486   7.957 -12.641
  305    HG2  PRO  37           HG2      PRO  37  -3.088   9.000 -12.246
  306    HG3  PRO  37           HG1      PRO  37  -4.545  10.014 -12.270
  307    HD2  PRO  37           HD2      PRO  37  -2.926   9.096  -9.939
  308    HD3  PRO  37           HD1      PRO  37  -3.739  10.651 -10.215
  309    HA   PRO  38           HA       PRO  38  -7.460   4.907  -8.290
  310    HB2  PRO  38           HB2      PRO  38  -9.002   3.992 -10.655
  311    HB3  PRO  38           HB1      PRO  38  -9.534   4.218  -8.980
  312    HG2  PRO  38           HG2      PRO  38 -10.279   5.908 -10.877
  313    HG3  PRO  38           HG1      PRO  38  -9.890   6.469  -9.237
  314    HD2  PRO  38           HD2      PRO  38  -8.255   6.646 -11.729
  315    HD3  PRO  38           HD1      PRO  38  -8.449   7.822 -10.413
  316    H    ASP  39           HN       ASP  39  -6.533   4.630 -11.672
  317    HA   ASP  39           HA       ASP  39  -5.853   1.884 -11.628
  318    HB2  ASP  39           HB2      ASP  39  -4.383   2.598 -13.656
  319    HB3  ASP  39           HB1      ASP  39  -6.133   2.718 -13.783
  320    H    GLN  40           HN       GLN  40  -4.150   4.762 -10.673
  321    HA   GLN  40           HA       GLN  40  -1.619   3.351 -10.409
  322    HB2  GLN  40           HB2      GLN  40  -2.415   6.191  -9.732
  323    HB3  GLN  40           HB1      GLN  40  -0.789   5.543  -9.550
  324    HG2  GLN  40           HG2      GLN  40  -0.741   5.085 -11.976
  325    HG3  GLN  40           HG1      GLN  40  -2.329   5.838 -12.121
  326   HE21  GLN  40          HE21      GLN  40  -1.592   7.442 -13.484
  327   HE22  GLN  40          HE22      GLN  40  -0.584   8.736 -12.942
  328    H    GLN  41           HN       GLN  41  -4.364   4.207  -8.549
  329    HA   GLN  41           HA       GLN  41  -3.207   4.089  -5.955
  330    HB2  GLN  41           HB2      GLN  41  -6.047   3.773  -6.918
  331    HB3  GLN  41           HB1      GLN  41  -5.599   3.745  -5.223
  332    HG2  GLN  41           HG2      GLN  41  -4.655   6.038  -5.518
  333    HG3  GLN  41           HG1      GLN  41  -5.350   6.043  -7.142
  334   HE21  GLN  41          HE21      GLN  41  -6.809   7.686  -6.746
  335   HE22  GLN  41          HE22      GLN  41  -8.171   7.485  -5.697
  336    H    ARG  42           HN       ARG  42  -2.490   2.338  -4.928
  337    HA   ARG  42           HA       ARG  42  -3.811  -0.234  -5.463
  338    HB2  ARG  42           HB2      ARG  42  -0.861   0.226  -4.941
  339    HB3  ARG  42           HB1      ARG  42  -1.629  -1.349  -5.091
  340    HG2  ARG  42           HG2      ARG  42  -1.552   0.731  -7.269
  341    HG3  ARG  42           HG1      ARG  42  -0.434  -0.627  -7.131
  342    HD2  ARG  42           HD2      ARG  42  -2.029  -2.176  -7.698
  343    HD3  ARG  42           HD1      ARG  42  -3.360  -1.183  -7.111
  344    HE   ARG  42           HE       ARG  42  -2.645   0.260  -9.179
  345   HH11  ARG  42          HH11      ARG  42  -2.890  -3.229  -8.952
  346   HH12  ARG  42          HH12      ARG  42  -3.251  -3.439 -10.638
  347   HH21  ARG  42          HH21      ARG  42  -3.129  -0.019 -11.398
  348   HH22  ARG  42          HH22      ARG  42  -3.381  -1.623 -12.024
  349    H    LEU  43           HN       LEU  43  -4.706  -1.075  -3.688
  350    HA   LEU  43           HA       LEU  43  -3.943   0.072  -1.100
  351    HB2  LEU  43           HB2      LEU  43  -6.485  -1.249  -2.043
  352    HB3  LEU  43           HB1      LEU  43  -6.169  -0.869  -0.360
  353    HG   LEU  43           HG       LEU  43  -6.116   1.255  -2.491
  354   HD11  LEU  43          HD11      LEU  43  -8.482   0.297  -0.886
  355   HD12  LEU  43          HD12      LEU  43  -8.292   0.217  -2.637
  356   HD13  LEU  43          HD13      LEU  43  -8.434   1.782  -1.837
  357   HD21  LEU  43          HD21      LEU  43  -6.543   1.322   0.495
  358   HD22  LEU  43          HD22      LEU  43  -6.575   2.720  -0.579
  359   HD23  LEU  43          HD23      LEU  43  -5.080   1.812  -0.359
  360    H    ILE  44           HN       ILE  44  -2.983  -1.153   0.360
  361    HA   ILE  44           HA       ILE  44  -2.864  -4.057  -0.105
  362    HB   ILE  44           HB       ILE  44  -0.998  -2.356   1.559
  363   HG12  ILE  44          HG12      ILE  44   0.570  -3.187  -0.432
  364   HG13  ILE  44          HG11      ILE  44  -0.955  -3.137  -1.310
  365   HG21  ILE  44          HG21      ILE  44  -1.074  -4.636   2.331
  366   HG22  ILE  44          HG22      ILE  44   0.455  -4.351   1.498
  367   HG23  ILE  44          HG23      ILE  44  -0.840  -5.234   0.690
  368   HD11  ILE  44          HD11      ILE  44   0.323  -1.073  -1.550
  369   HD12  ILE  44          HD12      ILE  44   0.267  -0.841   0.197
  370   HD13  ILE  44          HD13      ILE  44  -1.223  -0.796  -0.745
  371    H    PHE  45           HN       PHE  45  -3.772  -5.378   1.332
  372    HA   PHE  45           HA       PHE  45  -4.413  -4.310   4.000
  373    HB2  PHE  45           HB2      PHE  45  -6.418  -4.518   2.465
  374    HB3  PHE  45           HB1      PHE  45  -6.146  -6.257   2.471
  375    HD1  PHE  45           HD1      PHE  45  -6.559  -3.429   4.867
  376    HD2  PHE  45           HD2      PHE  45  -7.295  -7.529   3.995
  377    HE1  PHE  45           HE1      PHE  45  -7.893  -3.621   6.924
  378    HE2  PHE  45           HE2      PHE  45  -8.633  -7.731   6.051
  379    HZ   PHE  45           HZ       PHE  45  -8.934  -5.775   7.519
  380    H    ALA  46           HN       ALA  46  -3.073  -5.311   5.339
  381    HA   ALA  46           HA       ALA  46  -1.965  -6.930   6.480
  382    HB1  ALA  46           HB1      ALA  46  -4.188  -7.904   6.756
  383    HB2  ALA  46           HB2      ALA  46  -2.955  -9.157   6.617
  384    HB3  ALA  46           HB3      ALA  46  -3.995  -8.786   5.242
  385    H    GLY  47           HN       GLY  47  -1.107  -6.207   3.800
  386    HA2  GLY  47           HA2      GLY  47   0.752  -6.809   2.551
  387    HA3  GLY  47           HA1      GLY  47   0.799  -8.336   3.418
  388    H    LYS  48           HN       LYS  48  -2.195  -7.434   1.997
  389    HA   LYS  48           HA       LYS  48  -1.688  -9.248  -0.269
  390    HB2  LYS  48           HB2      LYS  48  -4.226  -8.990   1.361
  391    HB3  LYS  48           HB1      LYS  48  -4.052  -9.973  -0.086
  392    HG2  LYS  48           HG2      LYS  48  -2.473 -11.409   1.013
  393    HG3  LYS  48           HG1      LYS  48  -2.454 -10.365   2.436
  394    HD2  LYS  48           HD2      LYS  48  -4.947 -11.723   1.426
  395    HD3  LYS  48           HD1      LYS  48  -3.867 -12.457   2.612
  396    HE2  LYS  48           HE2      LYS  48  -4.212 -10.550   4.104
  397    HE3  LYS  48           HE1      LYS  48  -5.283  -9.809   2.918
  398    HZ1  LYS  48           HZ1      LYS  48  -6.498 -10.956   4.677
  399    HZ2  LYS  48           HZ2      LYS  48  -5.761 -12.414   4.252
  400    HZ3  LYS  48           HZ3      LYS  48  -6.803 -11.650   3.166
  401    H    GLN  49           HN       GLN  49  -2.950  -8.818  -2.179
  402    HA   GLN  49           HA       GLN  49  -3.407  -5.973  -2.562
  403    HB2  GLN  49           HB2      GLN  49  -3.386  -8.306  -4.483
  404    HB3  GLN  49           HB1      GLN  49  -3.747  -6.657  -4.966
  405    HG2  GLN  49           HG2      GLN  49  -1.498  -5.997  -4.115
  406    HG3  GLN  49           HG1      GLN  49  -1.158  -7.709  -3.862
  407   HE21  GLN  49          HE21      GLN  49   0.112  -5.749  -5.637
  408   HE22  GLN  49          HE22      GLN  49   0.009  -6.421  -7.225
  409    H    LEU  50           HN       LEU  50  -5.355  -5.086  -3.291
  410    HA   LEU  50           HA       LEU  50  -7.713  -6.757  -2.761
  411    HB2  LEU  50           HB2      LEU  50  -7.568  -3.743  -2.831
  412    HB3  LEU  50           HB1      LEU  50  -8.925  -4.719  -2.307
  413    HG   LEU  50           HG       LEU  50  -6.276  -4.406  -0.895
  414   HD11  LEU  50          HD11      LEU  50  -7.560  -3.359   0.838
  415   HD12  LEU  50          HD12      LEU  50  -9.066  -3.694  -0.015
  416   HD13  LEU  50          HD13      LEU  50  -7.907  -2.548  -0.689
  417   HD21  LEU  50          HD21      LEU  50  -7.364  -5.810   0.872
  418   HD22  LEU  50          HD22      LEU  50  -6.921  -6.676  -0.598
  419   HD23  LEU  50          HD23      LEU  50  -8.603  -6.225  -0.312
  420    H    GLU  51           HN       GLU  51  -8.740  -7.452  -4.496
  421    HA   GLU  51           HA       GLU  51  -8.228  -6.433  -7.103
  422    HB2  GLU  51           HB2      GLU  51 -10.274  -8.380  -6.048
  423    HB3  GLU  51           HB1      GLU  51 -10.117  -7.983  -7.753
  424    HG2  GLU  51           HG2      GLU  51  -7.898  -9.113  -6.067
  425    HG3  GLU  51           HG1      GLU  51  -8.976 -10.081  -7.072
  426    H    ASP  52           HN       ASP  52  -9.347  -5.041  -8.338
  427    HA   ASP  52           HA       ASP  52 -11.036  -3.146  -7.131
  428    HB2  ASP  52           HB2      ASP  52 -10.362  -3.754  -9.998
  429    HB3  ASP  52           HB1      ASP  52 -11.506  -2.487  -9.573
  430    H    GLY  53           HN       GLY  53 -11.699  -6.141  -8.755
  431    HA2  GLY  53           HA2      GLY  53 -14.545  -5.537  -8.990
  432    HA3  GLY  53           HA1      GLY  53 -13.735  -6.980  -9.578
  433    H    ARG  54           HN       ARG  54 -13.101  -5.964  -6.334
  434    HA   ARG  54           HA       ARG  54 -14.908  -8.074  -5.345
  435    HB2  ARG  54           HB2      ARG  54 -12.091  -7.404  -4.508
  436    HB3  ARG  54           HB1      ARG  54 -13.174  -8.329  -3.478
  437    HG2  ARG  54           HG2      ARG  54 -12.536  -9.156  -6.294
  438    HG3  ARG  54           HG1      ARG  54 -11.555  -9.643  -4.910
  439    HD2  ARG  54           HD2      ARG  54 -12.946 -11.356  -4.650
  440    HD3  ARG  54           HD1      ARG  54 -14.165 -10.190  -4.137
  441    HE   ARG  54           HE       ARG  54 -14.042 -10.464  -6.983
  442   HH11  ARG  54          HH11      ARG  54 -15.354 -11.865  -4.041
  443   HH12  ARG  54          HH12      ARG  54 -16.644 -12.685  -4.868
  444   HH21  ARG  54          HH21      ARG  54 -15.758 -11.518  -8.053
  445   HH22  ARG  54          HH22      ARG  54 -16.875 -12.484  -7.144
  446    H    THR  55           HN       THR  55 -15.483  -7.793  -3.011
  447    HA   THR  55           HA       THR  55 -15.951  -4.936  -2.484
  448    HB   THR  55           HB       THR  55 -17.775  -5.734  -0.967
  449    HG1  THR  55           HG1      THR  55 -16.961  -8.249  -2.033
  450   HG21  THR  55          HG21      THR  55 -19.343  -6.273  -2.746
  451   HG22  THR  55          HG22      THR  55 -18.008  -6.678  -3.825
  452   HG23  THR  55          HG23      THR  55 -18.228  -5.015  -3.279
  453    H    LEU  56           HN       LEU  56 -16.101  -4.368  -0.116
  454    HA   LEU  56           HA       LEU  56 -13.704  -4.896   1.196
  455    HB2  LEU  56           HB2      LEU  56 -16.294  -3.989   2.455
  456    HB3  LEU  56           HB1      LEU  56 -14.683  -3.754   3.102
  457    HG   LEU  56           HG       LEU  56 -15.716  -2.516   0.551
  458   HD11  LEU  56          HD11      LEU  56 -16.838  -1.579   2.471
  459   HD12  LEU  56          HD12      LEU  56 -15.666  -0.422   1.839
  460   HD13  LEU  56          HD13      LEU  56 -15.295  -1.347   3.294
  461   HD21  LEU  56          HD21      LEU  56 -13.674  -1.149   0.699
  462   HD22  LEU  56          HD22      LEU  56 -13.323  -2.861   0.471
  463   HD23  LEU  56          HD23      LEU  56 -13.137  -2.127   2.064
  464    H    SER  57           HN       SER  57 -16.840  -6.452   1.452
  465    HA   SER  57           HA       SER  57 -16.339  -7.965   3.773
  466    HB2  SER  57           HB2      SER  57 -18.116  -9.346   2.002
  467    HB3  SER  57           HB1      SER  57 -18.506  -8.435   3.462
  468    HG   SER  57           HG       SER  57 -19.034  -7.784   0.949
  469    H    ASP  58           HN       ASP  58 -15.374  -8.379   0.459
  470    HA   ASP  58           HA       ASP  58 -14.918 -11.174   0.471
  471    HB2  ASP  58           HB2      ASP  58 -13.941  -8.889  -1.201
  472    HB3  ASP  58           HB1      ASP  58 -13.149 -10.453  -1.346
  473    H    TYR  59           HN       TYR  59 -13.100  -8.434   1.588
  474    HA   TYR  59           HA       TYR  59 -10.871 -10.208   2.312
  475    HB2  TYR  59           HB2      TYR  59 -10.881  -7.206   1.944
  476    HB3  TYR  59           HB1      TYR  59  -9.481  -8.170   2.406
  477    HD1  TYR  59           HD1      TYR  59  -8.557  -9.834   0.769
  478    HD2  TYR  59           HD2      TYR  59 -11.527  -6.991  -0.317
  479    HE1  TYR  59           HE1      TYR  59  -8.029 -10.198  -1.604
  480    HE2  TYR  59           HE2      TYR  59 -11.005  -7.343  -2.690
  481    HH   TYR  59           HH       TYR  59  -8.954  -9.914  -3.759
  482    H    ASN  60           HN       ASN  60 -13.395  -9.821   3.721
  483    HA   ASN  60           HA       ASN  60 -14.295  -9.342   5.748
  484    HB2  ASN  60           HB2      ASN  60 -12.954 -10.229   7.662
  485    HB3  ASN  60           HB1      ASN  60 -13.125 -11.341   6.313
  486   HD21  ASN  60          HD21      ASN  60 -10.930  -9.220   8.014
  487   HD22  ASN  60          HD22      ASN  60  -9.478  -9.927   7.397
  488    H    ILE  61           HN       ILE  61 -13.256  -6.988   4.635
  489    HA   ILE  61           HA       ILE  61 -11.761  -5.568   6.629
  490    HB   ILE  61           HB       ILE  61 -13.304  -4.520   4.249
  491   HG12  ILE  61          HG12      ILE  61 -10.345  -5.045   4.625
  492   HG13  ILE  61          HG11      ILE  61 -11.442  -6.032   3.665
  493   HG21  ILE  61          HG21      ILE  61 -12.085  -2.447   4.545
  494   HG22  ILE  61          HG22      ILE  61 -11.240  -3.114   5.941
  495   HG23  ILE  61          HG23      ILE  61 -12.978  -2.828   6.019
  496   HD11  ILE  61          HD11      ILE  61 -10.717  -3.161   3.126
  497   HD12  ILE  61          HD12      ILE  61 -11.812  -4.147   2.158
  498   HD13  ILE  61          HD13      ILE  61 -10.104  -4.572   2.263
  499    H    GLN  62           HN       GLN  62 -12.564  -4.804   8.456
  500    HA   GLN  62           HA       GLN  62 -15.466  -4.378   8.655
  501    HB2  GLN  62           HB2      GLN  62 -13.396  -5.029  10.755
  502    HB3  GLN  62           HB1      GLN  62 -15.064  -4.615  11.128
  503    HG2  GLN  62           HG2      GLN  62 -15.833  -6.636  10.542
  504    HG3  GLN  62           HG1      GLN  62 -14.753  -6.759   9.156
  505   HE21  GLN  62          HE21      GLN  62 -12.802  -7.770   9.371
  506   HE22  GLN  62          HE22      GLN  62 -12.338  -8.641  10.795
  507    H    LYS  63           HN       LYS  63 -15.416  -2.905  11.050
  508    HA   LYS  63           HA       LYS  63 -14.976  -0.288  10.002
  509    HB2  LYS  63           HB2      LYS  63 -15.796   0.481  12.201
  510    HB3  LYS  63           HB1      LYS  63 -16.863  -0.712  11.471
  511    HG2  LYS  63           HG2      LYS  63 -16.055  -2.425  12.938
  512    HG3  LYS  63           HG1      LYS  63 -14.795  -1.362  13.565
  513    HD2  LYS  63           HD2      LYS  63 -16.455  -1.329  15.214
  514    HD3  LYS  63           HD1      LYS  63 -16.720   0.162  14.308
  515    HE2  LYS  63           HE2      LYS  63 -18.529  -0.859  13.082
  516    HE3  LYS  63           HE1      LYS  63 -18.209  -2.417  13.839
  517    HZ1  LYS  63           HZ1      LYS  63 -20.042  -1.431  14.948
  518    HZ2  LYS  63           HZ2      LYS  63 -19.228   0.037  15.151
  519    HZ3  LYS  63           HZ3      LYS  63 -18.724  -1.330  16.003
  520    H    GLU  64           HN       GLU  64 -13.548   1.275  10.672
  521    HA   GLU  64           HA       GLU  64 -11.608   2.188  11.363
  522    HB2  GLU  64           HB2      GLU  64 -11.942   0.183  13.588
  523    HB3  GLU  64           HB1      GLU  64 -10.695   1.423  13.572
  524    HG2  GLU  64           HG2      GLU  64 -12.343   3.164  13.589
  525    HG3  GLU  64           HG1      GLU  64 -13.643   1.988  13.416
  526    H    SER  65           HN       SER  65 -11.573  -0.327   9.634
  527    HA   SER  65           HA       SER  65  -9.085  -1.603  10.244
  528    HB2  SER  65           HB2      SER  65 -10.572  -1.551   7.603
  529    HB3  SER  65           HB1      SER  65  -9.334  -2.709   8.093
  530    HG   SER  65           HG       SER  65 -12.013  -2.551   8.801
  531    H    THR  66           HN       THR  66  -7.056  -1.308   9.165
  532    HA   THR  66           HA       THR  66  -6.799   1.362   7.965
  533    HB   THR  66           HB       THR  66  -4.551  -0.268   9.137
  534    HG1  THR  66           HG1      THR  66  -6.522   0.471  10.539
  535   HG21  THR  66          HG21      THR  66  -4.892   2.700   8.673
  536   HG22  THR  66          HG22      THR  66  -3.923   1.610   7.681
  537   HG23  THR  66          HG23      THR  66  -3.467   1.914   9.358
  538    H    LEU  67           HN       LEU  67  -6.514   1.423   5.873
  539    HA   LEU  67           HA       LEU  67  -5.337  -0.896   4.491
  540    HB2  LEU  67           HB2      LEU  67  -7.183   1.304   3.566
  541    HB3  LEU  67           HB1      LEU  67  -6.324   0.280   2.434
  542    HG   LEU  67           HG       LEU  67  -7.461  -1.692   3.631
  543   HD11  LEU  67          HD11      LEU  67  -9.330   0.502   4.509
  544   HD12  LEU  67          HD12      LEU  67  -8.228  -0.362   5.579
  545   HD13  LEU  67          HD13      LEU  67  -9.529  -1.232   4.766
  546   HD21  LEU  67          HD21      LEU  67  -8.013  -0.937   1.371
  547   HD22  LEU  67          HD22      LEU  67  -9.125   0.256   2.043
  548   HD23  LEU  67          HD23      LEU  67  -9.450  -1.466   2.246
  549    H    HIS  68           HN       HIS  68  -3.468  -0.657   3.345
  550    HA   HIS  68           HA       HIS  68  -2.107   1.917   3.598
  551    HB2  HIS  68           HB2      HIS  68  -1.168  -0.864   2.905
  552    HB3  HIS  68           HB1      HIS  68  -0.135   0.546   2.695
  553    HD2  HIS  68           HD2      HIS  68   0.716   1.779   5.069
  554    HE1  HIS  68           HE1      HIS  68  -0.587  -1.395   7.544
  555    HE2  HIS  68           HE2      HIS  68   0.961   0.604   7.369
  556    H    LEU  69           HN       LEU  69  -1.558   3.191   1.893
  557    HA   LEU  69           HA       LEU  69  -2.465   2.285  -0.760
  558    HB2  LEU  69           HB2      LEU  69  -3.749   4.171   0.164
  559    HB3  LEU  69           HB1      LEU  69  -2.271   5.103   0.306
  560    HG   LEU  69           HG       LEU  69  -2.026   4.920  -2.197
  561   HD11  LEU  69          HD11      LEU  69  -4.002   4.358  -3.496
  562   HD12  LEU  69          HD12      LEU  69  -4.865   3.932  -2.018
  563   HD13  LEU  69          HD13      LEU  69  -3.471   2.982  -2.530
  564   HD21  LEU  69          HD21      LEU  69  -4.466   6.303  -1.096
  565   HD22  LEU  69          HD22      LEU  69  -3.729   6.640  -2.662
  566   HD23  LEU  69          HD23      LEU  69  -2.831   6.957  -1.179
  567    H    VAL  70           HN       VAL  70  -0.922   1.892  -2.156
  568    HA   VAL  70           HA       VAL  70   1.550   3.494  -2.079
  569    HB   VAL  70           HB       VAL  70   1.327   0.500  -2.488
  570   HG11  VAL  70          HG11      VAL  70   3.778   2.229  -2.817
  571   HG12  VAL  70          HG12      VAL  70   2.882   1.462  -4.128
  572   HG13  VAL  70          HG13      VAL  70   3.716   0.471  -2.931
  573   HG21  VAL  70          HG21      VAL  70   2.693   2.210  -0.420
  574   HG22  VAL  70          HG22      VAL  70   3.019   0.490  -0.626
  575   HG23  VAL  70          HG23      VAL  70   1.403   1.031  -0.173
  576    H    LEU  71           HN       LEU  71   2.392   4.024  -4.119
  577    HA   LEU  71           HA       LEU  71   0.641   3.348  -6.390
  578    HB2  LEU  71           HB2      LEU  71   2.254   5.871  -6.288
  579    HB3  LEU  71           HB1      LEU  71   0.831   5.511  -7.244
  580    HG   LEU  71           HG       LEU  71   0.753   5.861  -4.249
  581   HD11  LEU  71          HD11      LEU  71  -0.037   8.112  -4.638
  582   HD12  LEU  71          HD12      LEU  71   0.132   7.899  -6.380
  583   HD13  LEU  71          HD13      LEU  71   1.564   7.908  -5.349
  584   HD21  LEU  71          HD21      LEU  71  -1.653   6.261  -4.702
  585   HD22  LEU  71          HD22      LEU  71  -1.126   4.628  -5.109
  586   HD23  LEU  71          HD23      LEU  71  -1.374   5.819  -6.386
  587    H    ARG  72           HN       ARG  72   1.594   2.586  -8.205
  588    HA   ARG  72           HA       ARG  72   4.523   2.368  -8.183
  589    HB2  ARG  72           HB2      ARG  72   3.185   0.247  -8.345
  590    HB3  ARG  72           HB1      ARG  72   2.561   0.816  -9.888
  591    HG2  ARG  72           HG2      ARG  72   4.824   0.847 -10.803
  592    HG3  ARG  72           HG1      ARG  72   5.460   0.293  -9.253
  593    HD2  ARG  72           HD2      ARG  72   3.411  -1.503  -9.967
  594    HD3  ARG  72           HD1      ARG  72   4.374  -1.239 -11.421
  595    HE   ARG  72           HE       ARG  72   6.176  -1.660  -9.362
  596   HH11  ARG  72          HH11      ARG  72   3.644  -3.490 -10.961
  597   HH12  ARG  72          HH12      ARG  72   4.369  -5.025 -10.607
  598   HH21  ARG  72          HH21      ARG  72   7.111  -3.674  -8.899
  599   HH22  ARG  72          HH22      ARG  72   6.330  -5.136  -9.428
  600    H    LEU  73           HN       LEU  73   5.118   4.300  -9.034
  601    HA   LEU  73           HA       LEU  73   3.828   5.412 -11.343
  602    HB2  LEU  73           HB2      LEU  73   6.391   6.221  -9.968
  603    HB3  LEU  73           HB1      LEU  73   5.522   7.169 -11.161
  604    HG   LEU  73           HG       LEU  73   4.330   6.373  -8.507
  605   HD11  LEU  73          HD11      LEU  73   6.249   7.738  -8.037
  606   HD12  LEU  73          HD12      LEU  73   4.791   8.707  -7.822
  607   HD13  LEU  73          HD13      LEU  73   5.773   8.901  -9.273
  608   HD21  LEU  73          HD21      LEU  73   2.760   8.194  -9.005
  609   HD22  LEU  73          HD22      LEU  73   2.704   6.921 -10.224
  610   HD23  LEU  73          HD23      LEU  73   3.545   8.433 -10.566
  611    H    ARG  74           HN       ARG  74   4.606   5.588 -13.407
  612    HA   ARG  74           HA       ARG  74   6.859   3.816 -14.092
  613    HB2  ARG  74           HB2      ARG  74   4.742   2.927 -14.903
  614    HB3  ARG  74           HB1      ARG  74   4.362   4.459 -15.675
  615    HG2  ARG  74           HG2      ARG  74   6.334   4.145 -17.147
  616    HG3  ARG  74           HG1      ARG  74   6.564   2.550 -16.428
  617    HD2  ARG  74           HD2      ARG  74   4.042   3.445 -17.810
  618    HD3  ARG  74           HD1      ARG  74   5.329   2.533 -18.594
  619    HE   ARG  74           HE       ARG  74   4.870   0.798 -16.825
  620   HH11  ARG  74          HH11      ARG  74   2.385   3.000 -17.941
  621   HH12  ARG  74          HH12      ARG  74   1.084   1.908 -17.594
  622   HH21  ARG  74          HH21      ARG  74   3.150  -0.648 -16.380
  623   HH22  ARG  74          HH22      ARG  74   1.519  -0.166 -16.721
  624    H    GLY  75           HN       GLY  75   8.437   4.591 -15.422
  625    HA2  GLY  75           HA2      GLY  75   8.234   7.446 -16.124
  626    HA3  GLY  75           HA1      GLY  75   9.736   6.591 -15.808
  627    H    GLY  76           HN       GLY  76   9.816   4.485 -17.368
  628    HA2  GLY  76           HA2      GLY  76   8.852   5.059 -20.027
  629    HA3  GLY  76           HA1      GLY  76  10.582   5.298 -19.830
  630    H1   GLY   1           HT1      GLY   1  28.321  17.081  -3.556
  631    H2   GLY   1           HT2      GLY   1  29.306  18.363  -3.061
  632    H3   GLY   1           HT3      GLY   1  28.402  18.490  -4.484
  633    HA2  GLY   1           HA1      GLY   1  27.416  19.753  -2.649
  634    HA3  GLY   1           HA2      GLY   1  26.350  18.511  -3.289
  635    HA   PRO   2           HA       PRO   2  25.837  17.281   0.946
  636    HB2  PRO   2           HB2      PRO   2  24.726  14.818   0.486
  637    HB3  PRO   2           HB1      PRO   2  23.821  16.338   0.344
  638    HG2  PRO   2           HG2      PRO   2  25.040  14.663  -1.794
  639    HG3  PRO   2           HG1      PRO   2  23.482  15.513  -1.770
  640    HD2  PRO   2           HD2      PRO   2  25.630  16.496  -3.071
  641    HD3  PRO   2           HD1      PRO   2  24.417  17.543  -2.304
  642    H    LEU   3           HN       LEU   3  26.602  15.670   2.433
  643    HA   LEU   3           HA       LEU   3  29.120  14.501   1.567
  644    HB2  LEU   3           HB2      LEU   3  27.880  15.156   4.194
  645    HB3  LEU   3           HB1      LEU   3  29.096  13.895   4.146
  646    HG   LEU   3           HG       LEU   3  30.642  15.569   3.046
  647   HD11  LEU   3          HD11      LEU   3  28.543  17.527   3.966
  648   HD12  LEU   3          HD12      LEU   3  28.909  17.131   2.287
  649   HD13  LEU   3          HD13      LEU   3  30.123  17.924   3.291
  650   HD21  LEU   3          HD21      LEU   3  31.126  16.735   5.178
  651   HD22  LEU   3          HD22      LEU   3  30.917  14.994   5.360
  652   HD23  LEU   3          HD23      LEU   3  29.619  16.092   5.831
  653    H    GLY   4           HN       GLY   4  25.989  13.497   2.855
  654    HA2  GLY   4           HA2      GLY   4  26.056  10.989   1.608
  655    HA3  GLY   4           HA1      GLY   4  26.612  10.785   3.262
  656    H    SER   5           HN       SER   5  24.145   9.889   1.804
  657    HA   SER   5           HA       SER   5  21.965  11.315   3.013
  658    HB2  SER   5           HB2      SER   5  21.771   8.545   1.848
  659    HB3  SER   5           HB1      SER   5  20.563   9.827   1.852
  660    HG   SER   5           HG       SER   5  21.770  10.936   0.328
  661    H    SER 913           HN       SER 913  20.636  10.616   4.698
  662    HA   SER 913           HA       SER 913  21.911   9.179   6.782
  663    HB2  SER 913           HB2      SER 913  19.017   9.469   7.052
  664    HB3  SER 913           HB1      SER 913  20.310  10.136   8.050
  665    HG   SER 913           HG       SER 913  18.787  11.433   6.358
  666    H    GLU 914           HN       GLU 914  22.207   7.062   6.700
  667    HA   GLU 914           HA       GLU 914  20.628   5.288   5.135
  668    HB2  GLU 914           HB2      GLU 914  23.135   5.182   6.099
  669    HB3  GLU 914           HB1      GLU 914  22.323   4.202   7.312
  670    HG2  GLU 914           HG2      GLU 914  21.624   2.621   5.711
  671    HG3  GLU 914           HG1      GLU 914  22.045   3.685   4.368
  672    H    ASP 915           HN       ASP 915  20.180   6.640   8.188
  673    HA   ASP 915           HA       ASP 915  18.861   4.519   9.527
  674    HB2  ASP 915           HB2      ASP 915  19.754   6.603  10.615
  675    HB3  ASP 915           HB1      ASP 915  18.396   7.480   9.920
  676    H    GLN 916           HN       GLN 916  17.947   6.610   6.983
  677    HA   GLN 916           HA       GLN 916  15.169   6.752   7.265
  678    HB2  GLN 916           HB2      GLN 916  16.680   7.948   5.579
  679    HB3  GLN 916           HB1      GLN 916  16.601   6.474   4.625
  680    HG2  GLN 916           HG2      GLN 916  14.952   7.779   3.684
  681    HG3  GLN 916           HG1      GLN 916  14.046   6.761   4.804
  682   HE21  GLN 916          HE21      GLN 916  13.150   7.681   6.647
  683   HE22  GLN 916          HE22      GLN 916  13.000   9.392   6.847
  684    H    THR 917           HN       THR 917  17.262   4.210   6.110
  685    HA   THR 917           HA       THR 917  15.442   2.573   4.782
  686    HB   THR 917           HB       THR 917  17.633   1.410   6.469
  687    HG1  THR 917           HG1      THR 917  18.885   2.903   5.587
  688   HG21  THR 917          HG21      THR 917  17.930  -0.054   4.557
  689   HG22  THR 917          HG22      THR 917  16.734   0.862   3.640
  690   HG23  THR 917          HG23      THR 917  16.239  -0.064   5.058
  691    H    ALA 918           HN       ALA 918  16.102   2.942   8.226
  692    HA   ALA 918           HA       ALA 918  14.709   0.639   9.103
  693    HB1  ALA 918           HB1      ALA 918  16.323   1.760  10.529
  694    HB2  ALA 918           HB2      ALA 918  14.744   1.716  11.315
  695    HB3  ALA 918           HB3      ALA 918  15.316   3.207  10.565
  696    H    ALA 919           HN       ALA 919  13.756   3.995   8.575
  697    HA   ALA 919           HA       ALA 919  11.145   3.792   9.627
  698    HB1  ALA 919           HB1      ALA 919  12.189   5.948   9.282
  699    HB2  ALA 919           HB2      ALA 919  10.693   5.855   8.352
  700    HB3  ALA 919           HB3      ALA 919  12.248   5.669   7.542
  701    H    LEU 920           HN       LEU 920  12.492   3.241   6.420
  702    HA   LEU 920           HA       LEU 920  10.028   2.859   5.076
  703    HB2  LEU 920           HB2      LEU 920  12.746   1.738   4.387
  704    HB3  LEU 920           HB1      LEU 920  11.377   1.845   3.301
  705    HG   LEU 920           HG       LEU 920  12.796   4.222   4.502
  706   HD11  LEU 920          HD11      LEU 920  13.715   4.556   2.265
  707   HD12  LEU 920          HD12      LEU 920  12.971   3.051   1.730
  708   HD13  LEU 920          HD13      LEU 920  14.241   3.019   2.953
  709   HD21  LEU 920          HD21      LEU 920  10.634   3.986   2.419
  710   HD22  LEU 920          HD22      LEU 920  11.530   5.465   2.769
  711   HD23  LEU 920          HD23      LEU 920  10.506   4.739   4.008
  712    H    MET 921           HN       MET 921  12.313   0.680   6.635
  713    HA   MET 921           HA       MET 921  11.141  -1.772   5.988
  714    HB2  MET 921           HB2      MET 921  12.779  -0.845   8.338
  715    HB3  MET 921           HB1      MET 921  12.183  -2.494   8.244
  716    HG2  MET 921           HG2      MET 921  13.700  -1.368   5.946
  717    HG3  MET 921           HG1      MET 921  14.568  -1.872   7.394
  718    HE1  MET 921           HE1      MET 921  15.326  -4.862   5.062
  719    HE2  MET 921           HE2      MET 921  15.984  -3.646   6.154
  720    HE3  MET 921           HE3      MET 921  15.251  -3.155   4.626
  721    H    ALA 922           HN       ALA 922  10.538   0.411   8.702
  722    HA   ALA 922           HA       ALA 922   8.735  -1.179  10.124
  723    HB1  ALA 922           HB1      ALA 922   8.712   1.829   9.970
  724    HB2  ALA 922           HB2      ALA 922   9.834   0.893  10.957
  725    HB3  ALA 922           HB3      ALA 922   8.102   0.817  11.281
  726    H    HIS 923           HN       HIS 923   8.186   1.130   7.504
  727    HA   HIS 923           HA       HIS 923   5.371   1.094   7.598
  728    HB2  HIS 923           HB2      HIS 923   7.098   2.629   6.288
  729    HB3  HIS 923           HB1      HIS 923   6.763   1.488   4.990
  730    HD2  HIS 923           HD2      HIS 923   4.265   1.682   3.828
  731    HE1  HIS 923           HE1      HIS 923   3.052   5.052   6.081
  732    HE2  HIS 923           HE2      HIS 923   2.617   3.676   4.000
  733    H    LEU 924           HN       LEU 924   7.708  -1.046   6.092
  734    HA   LEU 924           HA       LEU 924   5.811  -2.418   4.450
  735    HB2  LEU 924           HB2      LEU 924   8.663  -2.803   5.237
  736    HB3  LEU 924           HB1      LEU 924   7.795  -4.167   4.561
  737    HG   LEU 924           HG       LEU 924   7.614  -1.646   3.025
  738   HD11  LEU 924          HD11      LEU 924   9.825  -2.022   1.995
  739   HD12  LEU 924          HD12      LEU 924  10.176  -3.221   3.240
  740   HD13  LEU 924          HD13      LEU 924   9.934  -1.532   3.687
  741   HD21  LEU 924          HD21      LEU 924   8.172  -4.517   2.281
  742   HD22  LEU 924          HD22      LEU 924   7.840  -3.199   1.158
  743   HD23  LEU 924          HD23      LEU 924   6.589  -3.740   2.276
  744    H    PHE 925           HN       PHE 925   7.189  -2.880   7.653
  745    HA   PHE 925           HA       PHE 925   6.191  -5.507   8.056
  746    HB2  PHE 925           HB2      PHE 925   7.002  -3.409  10.076
  747    HB3  PHE 925           HB1      PHE 925   6.698  -5.101  10.446
  748    HD1  PHE 925           HD2      PHE 925   8.073  -5.992   7.723
  749    HD2  PHE 925           HD1      PHE 925   9.231  -3.545  11.009
  750    HE1  PHE 925           HE2      PHE 925  10.434  -6.497   7.264
  751    HE2  PHE 925           HE1      PHE 925  11.595  -4.051  10.553
  752    HZ   PHE 925           HZ       PHE 925  12.198  -5.527   8.679
  753    H    GLU 926           HN       GLU 926   4.805  -2.336   8.442
  754    HA   GLU 926           HA       GLU 926   2.676  -3.088  10.163
  755    HB2  GLU 926           HB2      GLU 926   2.971  -0.763   8.263
  756    HB3  GLU 926           HB1      GLU 926   1.623  -0.950   9.375
  757    HG2  GLU 926           HG2      GLU 926   3.350  -1.049  11.225
  758    HG3  GLU 926           HG1      GLU 926   4.513  -0.497  10.021
  759    H    MET 927           HN       MET 927   3.205  -3.486   6.793
  760    HA   MET 927           HA       MET 927   0.421  -3.698   6.101
  761    HB2  MET 927           HB2      MET 927   2.883  -4.500   4.542
  762    HB3  MET 927           HB1      MET 927   1.247  -4.433   3.900
  763    HG2  MET 927           HG2      MET 927   1.181  -2.027   4.344
  764    HG3  MET 927           HG1      MET 927   2.832  -2.104   4.956
  765    HE1  MET 927           HE1      MET 927   3.678  -0.260   3.360
  766    HE2  MET 927           HE2      MET 927   2.047  -0.045   2.723
  767    HE3  MET 927           HE3      MET 927   3.407  -0.239   1.617
  768    H    GLY 928           HN       GLY 928   2.881  -6.160   5.415
  769    HA2  GLY 928           HA2      GLY 928   1.999  -8.159   7.127
  770    HA3  GLY 928           HA1      GLY 928   1.009  -8.276   5.679
  771    H    PHE 929           HN       PHE 929   4.424  -7.821   6.520
  772    HA   PHE 929           HA       PHE 929   5.100 -10.002   4.675
  773    HB2  PHE 929           HB2      PHE 929   6.571  -7.358   4.849
  774    HB3  PHE 929           HB1      PHE 929   7.059  -8.740   3.873
  775    HD1  PHE 929           HD1      PHE 929   5.393  -9.545   2.083
  776    HD2  PHE 929           HD2      PHE 929   5.180  -5.732   3.962
  777    HE1  PHE 929           HE1      PHE 929   4.013  -8.710   0.224
  778    HE2  PHE 929           HE2      PHE 929   3.801  -4.890   2.107
  779    HZ   PHE 929           HZ       PHE 929   3.213  -6.380   0.236
  780    H    CYS 930           HN       CYS 930   6.558  -7.743   6.994
  781    HA   CYS 930           HA       CYS 930   7.938  -8.009   8.765
  782    HB2  CYS 930           HB2      CYS 930   6.761 -10.781   8.976
  783    HB3  CYS 930           HB1      CYS 930   7.460  -9.814  10.273
  784    HG   CYS 930           HG       CYS 930   5.132  -9.055  11.049
  785    H    ASP 931           HN       ASP 931   9.045  -8.655   6.202
  786    HA   ASP 931           HA       ASP 931  11.086 -10.594   7.056
  787    HB2  ASP 931           HB2      ASP 931   9.528 -11.347   5.161
  788    HB3  ASP 931           HB1      ASP 931  10.349 -10.143   4.172
  789    H    ARG 932           HN       ARG 932  12.482  -9.058   7.818
  790    HA   ARG 932           HA       ARG 932  13.176  -6.676   6.495
  791    HB2  ARG 932           HB2      ARG 932  15.033  -6.549   8.055
  792    HB3  ARG 932           HB1      ARG 932  13.589  -7.099   8.894
  793    HG2  ARG 932           HG2      ARG 932  14.389  -9.391   8.818
  794    HG3  ARG 932           HG1      ARG 932  15.821  -8.871   7.931
  795    HD2  ARG 932           HD2      ARG 932  16.323  -7.362   9.905
  796    HD3  ARG 932           HD1      ARG 932  15.062  -8.241  10.771
  797    HE   ARG 932           HE       ARG 932  16.379 -10.234  10.570
  798   HH11  ARG 932          HH11      ARG 932  18.034  -7.255   9.756
  799   HH12  ARG 932          HH12      ARG 932  19.616  -7.953   9.868
  800   HH21  ARG 932          HH21      ARG 932  18.463 -11.152  10.725
  801   HH22  ARG 932          HH22      ARG 932  19.859 -10.172  10.409
  802    H    GLN 933           HN       GLN 933  14.260  -9.951   6.097
  803    HA   GLN 933           HA       GLN 933  16.708  -9.332   4.764
  804    HB2  GLN 933           HB2      GLN 933  15.075 -11.878   4.708
  805    HB3  GLN 933           HB1      GLN 933  16.731 -11.709   4.146
  806    HG2  GLN 933           HG2      GLN 933  15.845 -11.236   6.980
  807    HG3  GLN 933           HG1      GLN 933  16.513 -12.753   6.383
  808   HE21  GLN 933          HE21      GLN 933  18.242 -12.629   7.815
  809   HE22  GLN 933          HE22      GLN 933  19.553 -11.525   7.586
  810    H    LEU 934           HN       LEU 934  13.486 -10.360   3.666
  811    HA   LEU 934           HA       LEU 934  14.059 -10.274   0.909
  812    HB2  LEU 934           HB2      LEU 934  12.080 -11.363   2.045
  813    HB3  LEU 934           HB1      LEU 934  11.383  -9.763   2.201
  814    HG   LEU 934           HG       LEU 934  11.372  -9.546  -0.262
  815   HD11  LEU 934          HD11      LEU 934  12.402 -12.372  -0.156
  816   HD12  LEU 934          HD12      LEU 934  13.187 -10.971  -0.884
  817   HD13  LEU 934          HD13      LEU 934  11.711 -11.625  -1.595
  818   HD21  LEU 934          HD21      LEU 934   9.563 -11.160  -0.667
  819   HD22  LEU 934          HD22      LEU 934   9.383 -10.330   0.878
  820   HD23  LEU 934          HD23      LEU 934   9.985 -11.987   0.833
  821    H    ASN 935           HN       ASN 935  12.953  -7.848   3.196
  822    HA   ASN 935           HA       ASN 935  12.356  -5.834   1.299
  823    HB2  ASN 935           HB2      ASN 935  13.062  -5.699   4.232
  824    HB3  ASN 935           HB1      ASN 935  12.679  -4.268   3.284
  825   HD21  ASN 935          HD21      ASN 935  11.258  -5.008   5.523
  826   HD22  ASN 935          HD22      ASN 935   9.659  -5.454   5.051
  827    H    LEU 936           HN       LEU 936  15.291  -6.655   3.104
  828    HA   LEU 936           HA       LEU 936  16.790  -4.391   2.327
  829    HB2  LEU 936           HB2      LEU 936  17.176  -6.169   4.203
  830    HB3  LEU 936           HB1      LEU 936  18.036  -7.043   2.953
  831    HG   LEU 936           HG       LEU 936  19.312  -5.470   4.618
  832   HD11  LEU 936          HD11      LEU 936  19.854  -5.540   1.657
  833   HD12  LEU 936          HD12      LEU 936  20.402  -6.703   2.864
  834   HD13  LEU 936          HD13      LEU 936  21.016  -5.051   2.890
  835   HD21  LEU 936          HD21      LEU 936  18.616  -3.491   2.459
  836   HD22  LEU 936          HD22      LEU 936  19.598  -3.222   3.900
  837   HD23  LEU 936          HD23      LEU 936  17.865  -3.508   4.054
  838    H    ARG 937           HN       ARG 937  16.502  -7.654   0.953
  839    HA   ARG 937           HA       ARG 937  18.479  -7.188  -1.053
  840    HB2  ARG 937           HB2      ARG 937  17.818  -9.311  -1.987
  841    HB3  ARG 937           HB1      ARG 937  17.892  -9.452  -0.238
  842    HG2  ARG 937           HG2      ARG 937  15.906 -10.445  -0.442
  843    HG3  ARG 937           HG1      ARG 937  15.275  -8.807  -0.619
  844    HD2  ARG 937           HD2      ARG 937  14.390 -10.096  -2.411
  845    HD3  ARG 937           HD1      ARG 937  15.630  -9.043  -3.092
  846    HE   ARG 937           HE       ARG 937  16.164 -11.868  -2.433
  847   HH11  ARG 937          HH11      ARG 937  16.271  -9.177  -4.681
  848   HH12  ARG 937          HH12      ARG 937  17.158 -10.053  -5.883
  849   HH21  ARG 937          HH21      ARG 937  17.325 -13.018  -4.014
  850   HH22  ARG 937          HH22      ARG 937  17.747 -12.243  -5.509
  851    H    LEU 938           HN       LEU 938  15.197  -6.318  -0.731
  852    HA   LEU 938           HA       LEU 938  14.772  -6.029  -3.591
  853    HB2  LEU 938           HB2      LEU 938  13.082  -6.383  -1.403
  854    HB3  LEU 938           HB1      LEU 938  12.814  -4.723  -1.894
  855    HG   LEU 938           HG       LEU 938  11.193  -6.145  -2.969
  856   HD11  LEU 938          HD11      LEU 938  11.547  -5.562  -5.278
  857   HD12  LEU 938          HD12      LEU 938  13.270  -5.322  -4.989
  858   HD13  LEU 938          HD13      LEU 938  12.093  -4.239  -4.248
  859   HD21  LEU 938          HD21      LEU 938  13.526  -7.652  -4.137
  860   HD22  LEU 938          HD22      LEU 938  11.818  -7.946  -4.462
  861   HD23  LEU 938          HD23      LEU 938  12.472  -8.234  -2.850
  862    H    LEU 939           HN       LEU 939  15.279  -4.026  -0.731
  863    HA   LEU 939           HA       LEU 939  14.981  -1.518  -1.935
  864    HB2  LEU 939           HB2      LEU 939  16.616  -2.449   0.416
  865    HB3  LEU 939           HB1      LEU 939  16.585  -0.769  -0.083
  866    HG   LEU 939           HG       LEU 939  14.056  -2.260   0.573
  867   HD11  LEU 939          HD11      LEU 939  15.825  -0.715   2.461
  868   HD12  LEU 939          HD12      LEU 939  15.498  -2.447   2.514
  869   HD13  LEU 939          HD13      LEU 939  14.200  -1.295   2.822
  870   HD21  LEU 939          HD21      LEU 939  13.825  -0.164  -0.655
  871   HD22  LEU 939          HD22      LEU 939  14.780   0.669   0.571
  872   HD23  LEU 939          HD23      LEU 939  13.205  -0.007   0.989
  873    H    LYS 940           HN       LYS 940  17.790  -3.648  -1.681
  874    HA   LYS 940           HA       LYS 940  19.597  -1.790  -2.887
  875    HB2  LYS 940           HB2      LYS 940  19.790  -4.782  -2.510
  876    HB3  LYS 940           HB1      LYS 940  21.103  -3.764  -3.079
  877    HG2  LYS 940           HG2      LYS 940  19.756  -3.463  -0.406
  878    HG3  LYS 940           HG1      LYS 940  21.258  -4.346  -0.682
  879    HD2  LYS 940           HD2      LYS 940  22.230  -2.237  -1.611
  880    HD3  LYS 940           HD1      LYS 940  20.763  -1.402  -1.096
  881    HE2  LYS 940           HE2      LYS 940  21.191  -2.068   1.214
  882    HE3  LYS 940           HE1      LYS 940  22.650  -2.915   0.704
  883    HZ1  LYS 940           HZ1      LYS 940  23.451  -0.903   1.439
  884    HZ2  LYS 940           HZ2      LYS 940  22.140  -0.018   0.844
  885    HZ3  LYS 940           HZ3      LYS 940  23.312  -0.616  -0.222
  886    H    LYS 941           HN       LYS 941  17.204  -3.888  -4.108
  887    HA   LYS 941           HA       LYS 941  18.388  -4.376  -6.667
  888    HB2  LYS 941           HB2      LYS 941  16.424  -5.597  -5.317
  889    HB3  LYS 941           HB1      LYS 941  15.441  -4.529  -6.305
  890    HG2  LYS 941           HG2      LYS 941  17.541  -6.202  -7.600
  891    HG3  LYS 941           HG1      LYS 941  16.012  -6.935  -7.119
  892    HD2  LYS 941           HD2      LYS 941  15.502  -4.465  -8.477
  893    HD3  LYS 941           HD1      LYS 941  16.577  -5.461  -9.458
  894    HE2  LYS 941           HE2      LYS 941  14.335  -5.997 -10.072
  895    HE3  LYS 941           HE1      LYS 941  14.971  -7.355  -9.147
  896    HZ1  LYS 941           HZ1      LYS 941  13.368  -5.217  -7.881
  897    HZ2  LYS 941           HZ2      LYS 941  13.693  -6.773  -7.295
  898    HZ3  LYS 941           HZ3      LYS 941  12.634  -6.562  -8.601
  899    H    HIS 942           HN       HIS 942  16.276  -1.919  -5.305
  900    HA   HIS 942           HA       HIS 942  16.246  -0.610  -7.946
  901    HB2  HIS 942           HB2      HIS 942  14.094  -0.677  -5.836
  902    HB3  HIS 942           HB1      HIS 942  14.082   0.462  -7.180
  903    HD1  HIS 942           HD1      HIS 942  13.660  -0.556  -9.583
  904    HD2  HIS 942           HD2      HIS 942  13.382  -3.261  -6.438
  905    HE1  HIS 942           HE1      HIS 942  12.606  -2.644 -10.536
  906    H    ASN 943           HN       ASN 943  18.091  -0.354  -5.592
  907    HA   ASN 943           HA       ASN 943  19.227   1.245  -4.448
  908    HB2  ASN 943           HB2      ASN 943  18.219   2.790  -6.821
  909    HB3  ASN 943           HB1      ASN 943  19.224   3.553  -5.595
  910   HD21  ASN 943          HD21      ASN 943  20.886   1.340  -5.023
  911   HD22  ASN 943          HD22      ASN 943  21.889   1.060  -6.402
  912    H    TYR 944           HN       TYR 944  17.151   0.749  -3.034
  913    HA   TYR 944           HA       TYR 944  15.760   1.480  -1.413
  914    HB2  TYR 944           HB2      TYR 944  17.165   4.119  -1.853
  915    HB3  TYR 944           HB1      TYR 944  16.120   3.745  -0.487
  916    HD1  TYR 944           HD1      TYR 944  16.805   1.619   0.894
  917    HD2  TYR 944           HD2      TYR 944  19.450   3.784  -1.640
  918    HE1  TYR 944           HE1      TYR 944  18.727   0.692   2.115
  919    HE2  TYR 944           HE2      TYR 944  21.375   2.862  -0.424
  920    HH   TYR 944           HH       TYR 944  21.816   1.920   1.888
  921    H    ASN 945           HN       ASN 945  14.037   1.076  -2.902
  922    HA   ASN 945           HA       ASN 945  12.529   3.524  -3.480
  923    HB2  ASN 945           HB2      ASN 945  13.612   2.431  -5.560
  924    HB3  ASN 945           HB1      ASN 945  12.425   1.150  -5.333
  925   HD21  ASN 945          HD21      ASN 945  12.991   4.344  -6.425
  926   HD22  ASN 945          HD22      ASN 945  11.383   4.682  -6.966
  927    H    ILE 946           HN       ILE 946  11.276   3.225  -1.678
  928    HA   ILE 946           HA       ILE 946  10.197   0.830  -0.752
  929    HB   ILE 946           HB       ILE 946  10.274   2.800   0.642
  930   HG12  ILE 946          HG12      ILE 946   7.855   2.829   1.450
  931   HG13  ILE 946          HG11      ILE 946   7.504   1.730   0.120
  932   HG21  ILE 946          HG21      ILE 946   8.676   4.668   0.316
  933   HG22  ILE 946          HG22      ILE 946   8.259   3.983  -1.255
  934   HG23  ILE 946          HG23      ILE 946   9.901   4.549  -0.947
  935   HD11  ILE 946          HD11      ILE 946   7.849   0.571   2.252
  936   HD12  ILE 946          HD12      ILE 946   9.493   1.207   2.315
  937   HD13  ILE 946          HD13      ILE 946   9.026   0.094   1.029
  938    H    LEU 947           HN       LEU 947   8.954   3.072  -3.165
  939    HA   LEU 947           HA       LEU 947   6.336   2.068  -3.343
  940    HB2  LEU 947           HB2      LEU 947   7.954   3.296  -5.574
  941    HB3  LEU 947           HB1      LEU 947   6.206   3.235  -5.450
  942    HG   LEU 947           HG       LEU 947   7.057   4.553  -3.126
  943   HD11  LEU 947          HD11      LEU 947   9.257   4.847  -4.155
  944   HD12  LEU 947          HD12      LEU 947   8.417   6.385  -3.965
  945   HD13  LEU 947          HD13      LEU 947   8.500   5.617  -5.550
  946   HD21  LEU 947          HD21      LEU 947   5.968   6.497  -4.179
  947   HD22  LEU 947          HD22      LEU 947   5.014   5.022  -4.335
  948   HD23  LEU 947          HD23      LEU 947   5.936   5.627  -5.713
  949    H    GLN 948           HN       GLN 948   9.326   1.135  -4.964
  950    HA   GLN 948           HA       GLN 948   8.004  -0.775  -6.655
  951    HB2  GLN 948           HB2      GLN 948  10.513   0.468  -6.635
  952    HB3  GLN 948           HB1      GLN 948  10.842  -1.240  -6.377
  953    HG2  GLN 948           HG2      GLN 948   9.441   0.053  -8.695
  954    HG3  GLN 948           HG1      GLN 948  10.929  -0.893  -8.701
  955   HE21  GLN 948          HE21      GLN 948  10.808  -3.143  -8.541
  956   HE22  GLN 948          HE22      GLN 948   9.336  -4.010  -8.833
  957    H    VAL 949           HN       VAL 949   9.817  -0.875  -3.640
  958    HA   VAL 949           HA       VAL 949  10.210  -3.639  -3.458
  959    HB   VAL 949           HB       VAL 949   9.841  -1.614  -1.248
  960   HG11  VAL 949          HG11      VAL 949  10.868  -3.252   0.242
  961   HG12  VAL 949          HG12      VAL 949  10.902  -4.434  -1.067
  962   HG13  VAL 949          HG13      VAL 949   9.359  -3.870  -0.427
  963   HG21  VAL 949          HG21      VAL 949  12.307  -1.793  -1.087
  964   HG22  VAL 949          HG22      VAL 949  11.757  -1.141  -2.631
  965   HG23  VAL 949          HG23      VAL 949  12.295  -2.817  -2.523
  966    H    VAL 950           HN       VAL 950   7.564  -1.681  -2.079
  967    HA   VAL 950           HA       VAL 950   6.153  -3.810  -0.928
  968    HB   VAL 950           HB       VAL 950   5.069  -1.189  -1.971
  969   HG11  VAL 950          HG11      VAL 950   3.865  -3.156  -0.025
  970   HG12  VAL 950          HG12      VAL 950   3.289  -2.816  -1.657
  971   HG13  VAL 950          HG13      VAL 950   3.211  -1.566  -0.416
  972   HG21  VAL 950          HG21      VAL 950   6.853  -0.935  -0.299
  973   HG22  VAL 950          HG22      VAL 950   5.942  -1.959   0.812
  974   HG23  VAL 950          HG23      VAL 950   5.289  -0.399   0.313
  975    H    THR 951           HN       THR 951   5.820  -2.311  -4.119
  976    HA   THR 951           HA       THR 951   3.578  -3.903  -4.863
  977    HB   THR 951           HB       THR 951   5.359  -2.582  -6.882
  978    HG1  THR 951           HG1      THR 951   5.108  -0.865  -5.571
  979   HG21  THR 951          HG21      THR 951   3.398  -3.901  -7.620
  980   HG22  THR 951          HG22      THR 951   3.243  -2.189  -8.016
  981   HG23  THR 951          HG23      THR 951   2.358  -2.861  -6.647
  982    H    GLU 952           HN       GLU 952   7.055  -4.321  -5.161
  983    HA   GLU 952           HA       GLU 952   6.919  -6.421  -7.099
  984    HB2  GLU 952           HB2      GLU 952   8.948  -4.948  -6.500
  985    HB3  GLU 952           HB1      GLU 952   9.155  -6.016  -5.119
  986    HG2  GLU 952           HG2      GLU 952  10.495  -7.134  -6.525
  987    HG3  GLU 952           HG1      GLU 952   8.978  -7.837  -7.081
  988    H    LEU 953           HN       LEU 953   7.173  -6.237  -3.578
  989    HA   LEU 953           HA       LEU 953   7.328  -8.997  -3.072
  990    HB2  LEU 953           HB2      LEU 953   6.787  -6.553  -1.524
  991    HB3  LEU 953           HB1      LEU 953   6.084  -8.011  -0.853
  992    HG   LEU 953           HG       LEU 953   8.290  -9.061  -0.755
  993   HD11  LEU 953          HD11      LEU 953   9.294  -7.943  -2.690
  994   HD12  LEU 953          HD12      LEU 953  10.305  -7.797  -1.253
  995   HD13  LEU 953          HD13      LEU 953   9.332  -6.427  -1.791
  996   HD21  LEU 953          HD21      LEU 953   8.159  -6.318   0.490
  997   HD22  LEU 953          HD22      LEU 953   9.280  -7.594   0.967
  998   HD23  LEU 953          HD23      LEU 953   7.543  -7.821   1.178
  999    H    LEU 954           HN       LEU 954   4.588  -6.832  -3.515
 1000    HA   LEU 954           HA       LEU 954   2.573  -8.620  -2.673
 1001    HB2  LEU 954           HB2      LEU 954   2.551  -6.248  -4.521
 1002    HB3  LEU 954           HB1      LEU 954   1.101  -7.172  -4.179
 1003    HG   LEU 954           HG       LEU 954   2.751  -5.843  -2.037
 1004   HD11  LEU 954          HD11      LEU 954   0.233  -4.812  -3.329
 1005   HD12  LEU 954          HD12      LEU 954   1.853  -4.218  -3.687
 1006   HD13  LEU 954          HD13      LEU 954   1.186  -4.032  -2.068
 1007   HD21  LEU 954          HD21      LEU 954   0.709  -6.116  -0.706
 1008   HD22  LEU 954          HD22      LEU 954   1.334  -7.669  -1.260
 1009   HD23  LEU 954          HD23      LEU 954  -0.061  -6.944  -2.058
 1010    H    GLN 955           HN       GLN 955   4.308  -8.244  -5.676
 1011    HA   GLN 955           HA       GLN 955   2.509  -9.786  -7.262
 1012    HB2  GLN 955           HB2      GLN 955   5.320  -8.808  -7.633
 1013    HB3  GLN 955           HB1      GLN 955   4.625  -9.959  -8.766
 1014    HG2  GLN 955           HG2      GLN 955   2.756  -8.364  -9.139
 1015    HG3  GLN 955           HG1      GLN 955   3.612  -7.199  -8.129
 1016   HE21  GLN 955          HE21      GLN 955   3.593  -8.908 -11.154
 1017   HE22  GLN 955          HE22      GLN 955   4.773  -7.923 -11.951
 1018    H    LEU 956           HN       LEU 956   4.800 -10.583  -4.896
 1019    HA   LEU 956           HA       LEU 956   5.374 -13.223  -5.924
 1020    HB2  LEU 956           HB2      LEU 956   7.074 -12.038  -4.649
 1021    HB3  LEU 956           HB1      LEU 956   5.991 -11.904  -3.279
 1022    HG   LEU 956           HG       LEU 956   6.006 -14.452  -3.193
 1023   HD11  LEU 956          HD11      LEU 956   8.038 -15.495  -4.173
 1024   HD12  LEU 956          HD12      LEU 956   8.319 -14.004  -5.070
 1025   HD13  LEU 956          HD13      LEU 956   6.864 -14.953  -5.372
 1026   HD21  LEU 956          HD21      LEU 956   7.195 -13.054  -1.586
 1027   HD22  LEU 956          HD22      LEU 956   8.578 -12.964  -2.676
 1028   HD23  LEU 956          HD23      LEU 956   8.117 -14.510  -1.964
 1029    H    ASN 957           HN       ASN 957   3.347 -11.734  -3.456
 1030    HA   ASN 957           HA       ASN 957   1.903 -14.282  -3.204
 1031    HB2  ASN 957           HB2      ASN 957   3.398 -13.865  -1.225
 1032    HB3  ASN 957           HB1      ASN 957   2.459 -12.414  -0.892
 1033   HD21  ASN 957          HD21      ASN 957   1.520 -12.963   0.986
 1034   HD22  ASN 957          HD22      ASN 957   0.460 -14.313   1.193
 1035    H    ASN 958           HN       ASN 958   0.429 -13.307  -4.751
 1036    HA   ASN 958           HA       ASN 958  -1.400 -11.410  -3.439
 1037    HB2  ASN 958           HB2      ASN 958  -1.822 -10.275  -5.498
 1038    HB3  ASN 958           HB1      ASN 958  -0.078 -10.363  -5.308
 1039   HD21  ASN 958          HD21      ASN 958  -1.487  -9.899  -7.710
 1040   HD22  ASN 958          HD22      ASN 958  -1.129 -11.203  -8.790
 1041    H    ASN 959           HN       ASN 959  -1.171 -14.439  -3.986
 1042    HA   ASN 959           HA       ASN 959  -3.949 -14.770  -4.883
 1043    HB2  ASN 959           HB2      ASN 959  -2.079 -15.584  -6.505
 1044    HB3  ASN 959           HB1      ASN 959  -1.859 -16.885  -5.342
 1045   HD21  ASN 959          HD21      ASN 959  -4.747 -16.912  -4.677
 1046   HD22  ASN 959          HD22      ASN 959  -5.514 -17.699  -6.019