*HEADER    DNA BINDING PROTEIN                     15-OCT-08   2K9I              
*TITLE     NMR STRUCTURE OF PLASMID COPY CONTROL PROTEIN ORF56 FROM              
*TITLE    2 SULFOLOBUS ISLANDICUS                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PLASMID PRN1, COMPLETE SEQUENCE;                           
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SULFOLOBUS ISLANDICUS;                          
*SOURCE   3 ORGANISM_TAXID: 43080;                                               
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET28C                                     
*KEYWDS    PLASMID COPY CONTROL PROTEIN, RIBBON HELIX HELIX PROTEIN,             
*KEYWDS   2 PLASMID, DNA BINDING PROTEIN                                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    U.WEININGER, J.BALBACH                                                
*REVDAT   1   20-OCT-09 2K9I    0                                                


! dihedral angle file generated by Csi2Aria.py

! CSI derived phi restraint:
assign (resid   9 and name C and segid AAAA)
       (resid  10 and name N and segid AAAA)
       (resid  10 and name CA and segid AAAA)
       (resid  10 and name C and segid AAAA)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  10 and name C and segid AAAA)
       (resid  11 and name N and segid AAAA)
       (resid  11 and name CA and segid AAAA)
       (resid  11 and name C and segid AAAA)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  11 and name C and segid AAAA)
       (resid  12 and name N and segid AAAA)
       (resid  12 and name CA and segid AAAA)
       (resid  12 and name C and segid AAAA)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  12 and name C and segid AAAA)
       (resid  13 and name N and segid AAAA)
       (resid  13 and name CA and segid AAAA)
       (resid  13 and name C and segid AAAA)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  13 and name C and segid AAAA)
       (resid  14 and name N and segid AAAA)
       (resid  14 and name CA and segid AAAA)
       (resid  14 and name C and segid AAAA)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  14 and name C and segid AAAA)
       (resid  15 and name N and segid AAAA)
       (resid  15 and name CA and segid AAAA)
       (resid  15 and name C and segid AAAA)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  15 and name C and segid AAAA)
       (resid  16 and name N and segid AAAA)
       (resid  16 and name CA and segid AAAA)
       (resid  16 and name C and segid AAAA)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  16 and name C and segid AAAA)
       (resid  17 and name N and segid AAAA)
       (resid  17 and name CA and segid AAAA)
       (resid  17 and name C and segid AAAA)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  18 and name C and segid AAAA)
       (resid  19 and name N and segid AAAA)
       (resid  19 and name CA and segid AAAA)
       (resid  19 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  19 and name C and segid AAAA)
       (resid  20 and name N and segid AAAA)
       (resid  20 and name CA and segid AAAA)
       (resid  20 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  20 and name C and segid AAAA)
       (resid  21 and name N and segid AAAA)
       (resid  21 and name CA and segid AAAA)
       (resid  21 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  21 and name C and segid AAAA)
       (resid  22 and name N and segid AAAA)
       (resid  22 and name CA and segid AAAA)
       (resid  22 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  22 and name C and segid AAAA)
       (resid  23 and name N and segid AAAA)
       (resid  23 and name CA and segid AAAA)
       (resid  23 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  23 and name C and segid AAAA)
       (resid  24 and name N and segid AAAA)
       (resid  24 and name CA and segid AAAA)
       (resid  24 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  24 and name C and segid AAAA)
       (resid  25 and name N and segid AAAA)
       (resid  25 and name CA and segid AAAA)
       (resid  25 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  25 and name C and segid AAAA)
       (resid  26 and name N and segid AAAA)
       (resid  26 and name CA and segid AAAA)
       (resid  26 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  26 and name C and segid AAAA)
       (resid  27 and name N and segid AAAA)
       (resid  27 and name CA and segid AAAA)
       (resid  27 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  27 and name C and segid AAAA)
       (resid  28 and name N and segid AAAA)
       (resid  28 and name CA and segid AAAA)
       (resid  28 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  28 and name C and segid AAAA)
       (resid  29 and name N and segid AAAA)
       (resid  29 and name CA and segid AAAA)
       (resid  29 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  29 and name C and segid AAAA)
       (resid  30 and name N and segid AAAA)
       (resid  30 and name CA and segid AAAA)
       (resid  30 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  30 and name C and segid AAAA)
       (resid  31 and name N and segid AAAA)
       (resid  31 and name CA and segid AAAA)
       (resid  31 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  31 and name C and segid AAAA)
       (resid  32 and name N and segid AAAA)
       (resid  32 and name CA and segid AAAA)
       (resid  32 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  33 and name C and segid AAAA)
       (resid  34 and name N and segid AAAA)
       (resid  34 and name CA and segid AAAA)
       (resid  34 and name C and segid AAAA)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  34 and name C and segid AAAA)
       (resid  35 and name N and segid AAAA)
       (resid  35 and name CA and segid AAAA)
       (resid  35 and name C and segid AAAA)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  35 and name C and segid AAAA)
       (resid  36 and name N and segid AAAA)
       (resid  36 and name CA and segid AAAA)
       (resid  36 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  36 and name C and segid AAAA)
       (resid  37 and name N and segid AAAA)
       (resid  37 and name CA and segid AAAA)
       (resid  37 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  37 and name C and segid AAAA)
       (resid  38 and name N and segid AAAA)
       (resid  38 and name CA and segid AAAA)
       (resid  38 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  38 and name C and segid AAAA)
       (resid  39 and name N and segid AAAA)
       (resid  39 and name CA and segid AAAA)
       (resid  39 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  39 and name C and segid AAAA)
       (resid  40 and name N and segid AAAA)
       (resid  40 and name CA and segid AAAA)
       (resid  40 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  40 and name C and segid AAAA)
       (resid  41 and name N and segid AAAA)
       (resid  41 and name CA and segid AAAA)
       (resid  41 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  41 and name C and segid AAAA)
       (resid  42 and name N and segid AAAA)
       (resid  42 and name CA and segid AAAA)
       (resid  42 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  42 and name C and segid AAAA)
       (resid  43 and name N and segid AAAA)
       (resid  43 and name CA and segid AAAA)
       (resid  43 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  43 and name C and segid AAAA)
       (resid  44 and name N and segid AAAA)
       (resid  44 and name CA and segid AAAA)
       (resid  44 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  44 and name C and segid AAAA)
       (resid  45 and name N and segid AAAA)
       (resid  45 and name CA and segid AAAA)
       (resid  45 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  45 and name C and segid AAAA)
       (resid  46 and name N and segid AAAA)
       (resid  46 and name CA and segid AAAA)
       (resid  46 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  46 and name C and segid AAAA)
       (resid  47 and name N and segid AAAA)
       (resid  47 and name CA and segid AAAA)
       (resid  47 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  47 and name C and segid AAAA)
       (resid  48 and name N and segid AAAA)
       (resid  48 and name CA and segid AAAA)
       (resid  48 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  48 and name C and segid AAAA)
       (resid  49 and name N and segid AAAA)
       (resid  49 and name CA and segid AAAA)
       (resid  49 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  49 and name C and segid AAAA)
       (resid  50 and name N and segid AAAA)
       (resid  50 and name CA and segid AAAA)
       (resid  50 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  50 and name C and segid AAAA)
       (resid  51 and name N and segid AAAA)
       (resid  51 and name CA and segid AAAA)
       (resid  51 and name C and segid AAAA)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid   9 and name C and segid BBBB)
       (resid  10 and name N and segid BBBB)
       (resid  10 and name CA and segid BBBB)
       (resid  10 and name C and segid BBBB)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  10 and name C and segid BBBB)
       (resid  11 and name N and segid BBBB)
       (resid  11 and name CA and segid BBBB)
       (resid  11 and name C and segid BBBB)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  11 and name C and segid BBBB)
       (resid  12 and name N and segid BBBB)
       (resid  12 and name CA and segid BBBB)
       (resid  12 and name C and segid BBBB)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  12 and name C and segid BBBB)
       (resid  13 and name N and segid BBBB)
       (resid  13 and name CA and segid BBBB)
       (resid  13 and name C and segid BBBB)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  13 and name C and segid BBBB)
       (resid  14 and name N and segid BBBB)
       (resid  14 and name CA and segid BBBB)
       (resid  14 and name C and segid BBBB)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  14 and name C and segid BBBB)
       (resid  15 and name N and segid BBBB)
       (resid  15 and name CA and segid BBBB)
       (resid  15 and name C and segid BBBB)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  15 and name C and segid BBBB)
       (resid  16 and name N and segid BBBB)
       (resid  16 and name CA and segid BBBB)
       (resid  16 and name C and segid BBBB)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  16 and name C and segid BBBB)
       (resid  17 and name N and segid BBBB)
       (resid  17 and name CA and segid BBBB)
       (resid  17 and name C and segid BBBB)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  18 and name C and segid BBBB)
       (resid  19 and name N and segid BBBB)
       (resid  19 and name CA and segid BBBB)
       (resid  19 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  19 and name C and segid BBBB)
       (resid  20 and name N and segid BBBB)
       (resid  20 and name CA and segid BBBB)
       (resid  20 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  20 and name C and segid BBBB)
       (resid  21 and name N and segid BBBB)
       (resid  21 and name CA and segid BBBB)
       (resid  21 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  21 and name C and segid BBBB)
       (resid  22 and name N and segid BBBB)
       (resid  22 and name CA and segid BBBB)
       (resid  22 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  22 and name C and segid BBBB)
       (resid  23 and name N and segid BBBB)
       (resid  23 and name CA and segid BBBB)
       (resid  23 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  23 and name C and segid BBBB)
       (resid  24 and name N and segid BBBB)
       (resid  24 and name CA and segid BBBB)
       (resid  24 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  24 and name C and segid BBBB)
       (resid  25 and name N and segid BBBB)
       (resid  25 and name CA and segid BBBB)
       (resid  25 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  25 and name C and segid BBBB)
       (resid  26 and name N and segid BBBB)
       (resid  26 and name CA and segid BBBB)
       (resid  26 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  26 and name C and segid BBBB)
       (resid  27 and name N and segid BBBB)
       (resid  27 and name CA and segid BBBB)
       (resid  27 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  27 and name C and segid BBBB)
       (resid  28 and name N and segid BBBB)
       (resid  28 and name CA and segid BBBB)
       (resid  28 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  28 and name C and segid BBBB)
       (resid  29 and name N and segid BBBB)
       (resid  29 and name CA and segid BBBB)
       (resid  29 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  29 and name C and segid BBBB)
       (resid  30 and name N and segid BBBB)
       (resid  30 and name CA and segid BBBB)
       (resid  30 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  30 and name C and segid BBBB)
       (resid  31 and name N and segid BBBB)
       (resid  31 and name CA and segid BBBB)
       (resid  31 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  31 and name C and segid BBBB)
       (resid  32 and name N and segid BBBB)
       (resid  32 and name CA and segid BBBB)
       (resid  32 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  33 and name C and segid BBBB)
       (resid  34 and name N and segid BBBB)
       (resid  34 and name CA and segid BBBB)
       (resid  34 and name C and segid BBBB)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  34 and name C and segid BBBB)
       (resid  35 and name N and segid BBBB)
       (resid  35 and name CA and segid BBBB)
       (resid  35 and name C and segid BBBB)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid  35 and name C and segid BBBB)
       (resid  36 and name N and segid BBBB)
       (resid  36 and name CA and segid BBBB)
       (resid  36 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  36 and name C and segid BBBB)
       (resid  37 and name N and segid BBBB)
       (resid  37 and name CA and segid BBBB)
       (resid  37 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  37 and name C and segid BBBB)
       (resid  38 and name N and segid BBBB)
       (resid  38 and name CA and segid BBBB)
       (resid  38 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  38 and name C and segid BBBB)
       (resid  39 and name N and segid BBBB)
       (resid  39 and name CA and segid BBBB)
       (resid  39 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  39 and name C and segid BBBB)
       (resid  40 and name N and segid BBBB)
       (resid  40 and name CA and segid BBBB)
       (resid  40 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  40 and name C and segid BBBB)
       (resid  41 and name N and segid BBBB)
       (resid  41 and name CA and segid BBBB)
       (resid  41 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  41 and name C and segid BBBB)
       (resid  42 and name N and segid BBBB)
       (resid  42 and name CA and segid BBBB)
       (resid  42 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  42 and name C and segid BBBB)
       (resid  43 and name N and segid BBBB)
       (resid  43 and name CA and segid BBBB)
       (resid  43 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  43 and name C and segid BBBB)
       (resid  44 and name N and segid BBBB)
       (resid  44 and name CA and segid BBBB)
       (resid  44 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  44 and name C and segid BBBB)
       (resid  45 and name N and segid BBBB)
       (resid  45 and name CA and segid BBBB)
       (resid  45 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  45 and name C and segid BBBB)
       (resid  46 and name N and segid BBBB)
       (resid  46 and name CA and segid BBBB)
       (resid  46 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  46 and name C and segid BBBB)
       (resid  47 and name N and segid BBBB)
       (resid  47 and name CA and segid BBBB)
       (resid  47 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  47 and name C and segid BBBB)
       (resid  48 and name N and segid BBBB)
       (resid  48 and name CA and segid BBBB)
       (resid  48 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  48 and name C and segid BBBB)
       (resid  49 and name N and segid BBBB)
       (resid  49 and name CA and segid BBBB)
       (resid  49 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  49 and name C and segid BBBB)
       (resid  50 and name N and segid BBBB)
       (resid  50 and name CA and segid BBBB)
       (resid  50 and name C and segid BBBB)
       1.0 -65  30 2

! CSI derived phi restraint:
assign (resid  50 and name C and segid BBBB)
       (resid  51 and name N and segid BBBB)
       (resid  51 and name CA and segid BBBB)
       (resid  51 and name C and segid BBBB)
       1.0 -65  30 2

! dihedral angle file generated by Csi2Aria.py

! CSI derived psi restraint:
assign (resid  10 and name N and segid AAAA)
       (resid  10 and name CA and segid AAAA)
       (resid  10 and name C and segid AAAA)
       (resid  11 and name N and segid AAAA)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  11 and name N and segid AAAA)
       (resid  11 and name CA and segid AAAA)
       (resid  11 and name C and segid AAAA)
       (resid  12 and name N and segid AAAA)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  12 and name N and segid AAAA)
       (resid  12 and name CA and segid AAAA)
       (resid  12 and name C and segid AAAA)
       (resid  13 and name N and segid AAAA)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  13 and name N and segid AAAA)
       (resid  13 and name CA and segid AAAA)
       (resid  13 and name C and segid AAAA)
       (resid  14 and name N and segid AAAA)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  14 and name N and segid AAAA)
       (resid  14 and name CA and segid AAAA)
       (resid  14 and name C and segid AAAA)
       (resid  15 and name N and segid AAAA)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  15 and name N and segid AAAA)
       (resid  15 and name CA and segid AAAA)
       (resid  15 and name C and segid AAAA)
       (resid  16 and name N and segid AAAA)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  16 and name N and segid AAAA)
       (resid  16 and name CA and segid AAAA)
       (resid  16 and name C and segid AAAA)
       (resid  17 and name N and segid AAAA)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  17 and name N and segid AAAA)
       (resid  17 and name CA and segid AAAA)
       (resid  17 and name C and segid AAAA)
       (resid  18 and name N and segid AAAA)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  19 and name N and segid AAAA)
       (resid  19 and name CA and segid AAAA)
       (resid  19 and name C and segid AAAA)
       (resid  20 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  20 and name N and segid AAAA)
       (resid  20 and name CA and segid AAAA)
       (resid  20 and name C and segid AAAA)
       (resid  21 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  21 and name N and segid AAAA)
       (resid  21 and name CA and segid AAAA)
       (resid  21 and name C and segid AAAA)
       (resid  22 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  22 and name N and segid AAAA)
       (resid  22 and name CA and segid AAAA)
       (resid  22 and name C and segid AAAA)
       (resid  23 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  23 and name N and segid AAAA)
       (resid  23 and name CA and segid AAAA)
       (resid  23 and name C and segid AAAA)
       (resid  24 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  24 and name N and segid AAAA)
       (resid  24 and name CA and segid AAAA)
       (resid  24 and name C and segid AAAA)
       (resid  25 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  25 and name N and segid AAAA)
       (resid  25 and name CA and segid AAAA)
       (resid  25 and name C and segid AAAA)
       (resid  26 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  26 and name N and segid AAAA)
       (resid  26 and name CA and segid AAAA)
       (resid  26 and name C and segid AAAA)
       (resid  27 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  27 and name N and segid AAAA)
       (resid  27 and name CA and segid AAAA)
       (resid  27 and name C and segid AAAA)
       (resid  28 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  28 and name N and segid AAAA)
       (resid  28 and name CA and segid AAAA)
       (resid  28 and name C and segid AAAA)
       (resid  29 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  29 and name N and segid AAAA)
       (resid  29 and name CA and segid AAAA)
       (resid  29 and name C and segid AAAA)
       (resid  30 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  30 and name N and segid AAAA)
       (resid  30 and name CA and segid AAAA)
       (resid  30 and name C and segid AAAA)
       (resid  31 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  31 and name N and segid AAAA)
       (resid  31 and name CA and segid AAAA)
       (resid  31 and name C and segid AAAA)
       (resid  32 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  32 and name N and segid AAAA)
       (resid  32 and name CA and segid AAAA)
       (resid  32 and name C and segid AAAA)
       (resid  33 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  34 and name N and segid AAAA)
       (resid  34 and name CA and segid AAAA)
       (resid  34 and name C and segid AAAA)
       (resid  35 and name N and segid AAAA)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  35 and name N and segid AAAA)
       (resid  35 and name CA and segid AAAA)
       (resid  35 and name C and segid AAAA)
       (resid  36 and name N and segid AAAA)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  36 and name N and segid AAAA)
       (resid  36 and name CA and segid AAAA)
       (resid  36 and name C and segid AAAA)
       (resid  37 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  37 and name N and segid AAAA)
       (resid  37 and name CA and segid AAAA)
       (resid  37 and name C and segid AAAA)
       (resid  38 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  38 and name N and segid AAAA)
       (resid  38 and name CA and segid AAAA)
       (resid  38 and name C and segid AAAA)
       (resid  39 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  39 and name N and segid AAAA)
       (resid  39 and name CA and segid AAAA)
       (resid  39 and name C and segid AAAA)
       (resid  40 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  40 and name N and segid AAAA)
       (resid  40 and name CA and segid AAAA)
       (resid  40 and name C and segid AAAA)
       (resid  41 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  41 and name N and segid AAAA)
       (resid  41 and name CA and segid AAAA)
       (resid  41 and name C and segid AAAA)
       (resid  42 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  42 and name N and segid AAAA)
       (resid  42 and name CA and segid AAAA)
       (resid  42 and name C and segid AAAA)
       (resid  43 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  43 and name N and segid AAAA)
       (resid  43 and name CA and segid AAAA)
       (resid  43 and name C and segid AAAA)
       (resid  44 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  44 and name N and segid AAAA)
       (resid  44 and name CA and segid AAAA)
       (resid  44 and name C and segid AAAA)
       (resid  45 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  45 and name N and segid AAAA)
       (resid  45 and name CA and segid AAAA)
       (resid  45 and name C and segid AAAA)
       (resid  46 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  46 and name N and segid AAAA)
       (resid  46 and name CA and segid AAAA)
       (resid  46 and name C and segid AAAA)
       (resid  47 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  47 and name N and segid AAAA)
       (resid  47 and name CA and segid AAAA)
       (resid  47 and name C and segid AAAA)
       (resid  48 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  48 and name N and segid AAAA)
       (resid  48 and name CA and segid AAAA)
       (resid  48 and name C and segid AAAA)
       (resid  49 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  49 and name N and segid AAAA)
       (resid  49 and name CA and segid AAAA)
       (resid  49 and name C and segid AAAA)
       (resid  50 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  50 and name N and segid AAAA)
       (resid  50 and name CA and segid AAAA)
       (resid  50 and name C and segid AAAA)
       (resid  51 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  51 and name N and segid AAAA)
       (resid  51 and name CA and segid AAAA)
       (resid  51 and name C and segid AAAA)
       (resid  52 and name N and segid AAAA)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  10 and name N and segid BBBB)
       (resid  10 and name CA and segid BBBB)
       (resid  10 and name C and segid BBBB)
       (resid  11 and name N and segid BBBB)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  11 and name N and segid BBBB)
       (resid  11 and name CA and segid BBBB)
       (resid  11 and name C and segid BBBB)
       (resid  12 and name N and segid BBBB)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  12 and name N and segid BBBB)
       (resid  12 and name CA and segid BBBB)
       (resid  12 and name C and segid BBBB)
       (resid  13 and name N and segid BBBB)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  13 and name N and segid BBBB)
       (resid  13 and name CA and segid BBBB)
       (resid  13 and name C and segid BBBB)
       (resid  14 and name N and segid BBBB)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  14 and name N and segid BBBB)
       (resid  14 and name CA and segid BBBB)
       (resid  14 and name C and segid BBBB)
       (resid  15 and name N and segid BBBB)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  15 and name N and segid BBBB)
       (resid  15 and name CA and segid BBBB)
       (resid  15 and name C and segid BBBB)
       (resid  16 and name N and segid BBBB)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  16 and name N and segid BBBB)
       (resid  16 and name CA and segid BBBB)
       (resid  16 and name C and segid BBBB)
       (resid  17 and name N and segid BBBB)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  17 and name N and segid BBBB)
       (resid  17 and name CA and segid BBBB)
       (resid  17 and name C and segid BBBB)
       (resid  18 and name N and segid BBBB)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  19 and name N and segid BBBB)
       (resid  19 and name CA and segid BBBB)
       (resid  19 and name C and segid BBBB)
       (resid  20 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  20 and name N and segid BBBB)
       (resid  20 and name CA and segid BBBB)
       (resid  20 and name C and segid BBBB)
       (resid  21 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  21 and name N and segid BBBB)
       (resid  21 and name CA and segid BBBB)
       (resid  21 and name C and segid BBBB)
       (resid  22 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  22 and name N and segid BBBB)
       (resid  22 and name CA and segid BBBB)
       (resid  22 and name C and segid BBBB)
       (resid  23 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  23 and name N and segid BBBB)
       (resid  23 and name CA and segid BBBB)
       (resid  23 and name C and segid BBBB)
       (resid  24 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  24 and name N and segid BBBB)
       (resid  24 and name CA and segid BBBB)
       (resid  24 and name C and segid BBBB)
       (resid  25 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  25 and name N and segid BBBB)
       (resid  25 and name CA and segid BBBB)
       (resid  25 and name C and segid BBBB)
       (resid  26 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  26 and name N and segid BBBB)
       (resid  26 and name CA and segid BBBB)
       (resid  26 and name C and segid BBBB)
       (resid  27 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  27 and name N and segid BBBB)
       (resid  27 and name CA and segid BBBB)
       (resid  27 and name C and segid BBBB)
       (resid  28 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  28 and name N and segid BBBB)
       (resid  28 and name CA and segid BBBB)
       (resid  28 and name C and segid BBBB)
       (resid  29 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  29 and name N and segid BBBB)
       (resid  29 and name CA and segid BBBB)
       (resid  29 and name C and segid BBBB)
       (resid  30 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  30 and name N and segid BBBB)
       (resid  30 and name CA and segid BBBB)
       (resid  30 and name C and segid BBBB)
       (resid  31 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  31 and name N and segid BBBB)
       (resid  31 and name CA and segid BBBB)
       (resid  31 and name C and segid BBBB)
       (resid  32 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  32 and name N and segid BBBB)
       (resid  32 and name CA and segid BBBB)
       (resid  32 and name C and segid BBBB)
       (resid  33 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  34 and name N and segid BBBB)
       (resid  34 and name CA and segid BBBB)
       (resid  34 and name C and segid BBBB)
       (resid  35 and name N and segid BBBB)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  35 and name N and segid BBBB)
       (resid  35 and name CA and segid BBBB)
       (resid  35 and name C and segid BBBB)
       (resid  36 and name N and segid BBBB)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid  36 and name N and segid BBBB)
       (resid  36 and name CA and segid BBBB)
       (resid  36 and name C and segid BBBB)
       (resid  37 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  37 and name N and segid BBBB)
       (resid  37 and name CA and segid BBBB)
       (resid  37 and name C and segid BBBB)
       (resid  38 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  38 and name N and segid BBBB)
       (resid  38 and name CA and segid BBBB)
       (resid  38 and name C and segid BBBB)
       (resid  39 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  39 and name N and segid BBBB)
       (resid  39 and name CA and segid BBBB)
       (resid  39 and name C and segid BBBB)
       (resid  40 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  40 and name N and segid BBBB)
       (resid  40 and name CA and segid BBBB)
       (resid  40 and name C and segid BBBB)
       (resid  41 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  41 and name N and segid BBBB)
       (resid  41 and name CA and segid BBBB)
       (resid  41 and name C and segid BBBB)
       (resid  42 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  42 and name N and segid BBBB)
       (resid  42 and name CA and segid BBBB)
       (resid  42 and name C and segid BBBB)
       (resid  43 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  43 and name N and segid BBBB)
       (resid  43 and name CA and segid BBBB)
       (resid  43 and name C and segid BBBB)
       (resid  44 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  44 and name N and segid BBBB)
       (resid  44 and name CA and segid BBBB)
       (resid  44 and name C and segid BBBB)
       (resid  45 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  45 and name N and segid BBBB)
       (resid  45 and name CA and segid BBBB)
       (resid  45 and name C and segid BBBB)
       (resid  46 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  46 and name N and segid BBBB)
       (resid  46 and name CA and segid BBBB)
       (resid  46 and name C and segid BBBB)
       (resid  47 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  47 and name N and segid BBBB)
       (resid  47 and name CA and segid BBBB)
       (resid  47 and name C and segid BBBB)
       (resid  48 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  48 and name N and segid BBBB)
       (resid  48 and name CA and segid BBBB)
       (resid  48 and name C and segid BBBB)
       (resid  49 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  49 and name N and segid BBBB)
       (resid  49 and name CA and segid BBBB)
       (resid  49 and name C and segid BBBB)
       (resid  50 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  50 and name N and segid BBBB)
       (resid  50 and name CA and segid BBBB)
       (resid  50 and name C and segid BBBB)
       (resid  51 and name N and segid BBBB)
       1.0 -35  30 2

! CSI derived psi restraint:
assign (resid  51 and name N and segid BBBB)
       (resid  51 and name CA and segid BBBB)
       (resid  51 and name C and segid BBBB)
       (resid  52 and name N and segid BBBB)
       1.0 -35  30 2

! j-couplings

ASSIGN (resid 4 and name C and segid AAAA) (resid 5 and name N and segid AAAA) (resid 5 and name CA and segid AAAA) (resid 5 and name C and segid AAAA)  8.00 1.00
ASSIGN (resid 5 and name C and segid AAAA) (resid 6 and name N and segid AAAA) (resid 6 and name CA and segid AAAA) (resid 6 and name C and segid AAAA)  8.50 1.00
ASSIGN (resid 6 and name C and segid AAAA) (resid 7 and name N and segid AAAA) (resid 7 and name CA and segid AAAA) (resid 7 and name C and segid AAAA)  8.50 1.00
ASSIGN (resid 7 and name C and segid AAAA) (resid 8 and name N and segid AAAA) (resid 8 and name CA and segid AAAA) (resid 8 and name C and segid AAAA)  8.50 1.00
ASSIGN (resid 8 and name C and segid AAAA) (resid 9 and name N and segid AAAA) (resid 9 and name CA and segid AAAA) (resid 9 and name C and segid AAAA)  7.50 1.00
ASSIGN (resid 9 and name C and segid AAAA) (resid 10 and name N and segid AAAA) (resid 10 and name CA and segid AAAA) (resid 10 and name C and segid AAAA)  6.00 1.00
ASSIGN (resid 10 and name C and segid AAAA) (resid 11 and name N and segid AAAA) (resid 11 and name CA and segid AAAA) (resid 11 and name C and segid AAAA)  10.00 1.00
ASSIGN (resid 11 and name C and segid AAAA) (resid 12 and name N and segid AAAA) (resid 12 and name CA and segid AAAA) (resid 12 and name C and segid AAAA)  8.00 1.00
ASSIGN (resid 12 and name C and segid AAAA) (resid 13 and name N and segid AAAA) (resid 13 and name CA and segid AAAA) (resid 13 and name C and segid AAAA)  10.00 1.00
ASSIGN (resid 13 and name C and segid AAAA) (resid 14 and name N and segid AAAA) (resid 14 and name CA and segid AAAA) (resid 14 and name C and segid AAAA)  8.00 1.00
ASSIGN (resid 14 and name C and segid AAAA) (resid 15 and name N and segid AAAA) (resid 15 and name CA and segid AAAA) (resid 15 and name C and segid AAAA)  9.50 1.00
ASSIGN (resid 15 and name C and segid AAAA) (resid 16 and name N and segid AAAA) (resid 16 and name CA and segid AAAA) (resid 16 and name C and segid AAAA)  9.00 1.00
ASSIGN (resid 19 and name C and segid AAAA) (resid 20 and name N and segid AAAA) (resid 20 and name CA and segid AAAA) (resid 20 and name C and segid AAAA)  3.50 1.00
ASSIGN (resid 20 and name C and segid AAAA) (resid 21 and name N and segid AAAA) (resid 21 and name CA and segid AAAA) (resid 21 and name C and segid AAAA)  8.50 1.00
ASSIGN (resid 22 and name C and segid AAAA) (resid 23 and name N and segid AAAA) (resid 23 and name CA and segid AAAA) (resid 23 and name C and segid AAAA)  4.00 1.00
ASSIGN (resid 23 and name C and segid AAAA) (resid 24 and name N and segid AAAA) (resid 24 and name CA and segid AAAA) (resid 24 and name C and segid AAAA)  7.00 1.00
ASSIGN (resid 24 and name C and segid AAAA) (resid 25 and name N and segid AAAA) (resid 25 and name CA and segid AAAA) (resid 25 and name C and segid AAAA)  5.00 1.00
ASSIGN (resid 25 and name C and segid AAAA) (resid 26 and name N and segid AAAA) (resid 26 and name CA and segid AAAA) (resid 26 and name C and segid AAAA)  4.00 1.00
ASSIGN (resid 26 and name C and segid AAAA) (resid 27 and name N and segid AAAA) (resid 27 and name CA and segid AAAA) (resid 27 and name C and segid AAAA)  5.00 1.00
ASSIGN (resid 27 and name C and segid AAAA) (resid 28 and name N and segid AAAA) (resid 28 and name CA and segid AAAA) (resid 28 and name C and segid AAAA)  4.50 1.00
ASSIGN (resid 28 and name C and segid AAAA) (resid 29 and name N and segid AAAA) (resid 29 and name CA and segid AAAA) (resid 29 and name C and segid AAAA)  4.00 1.00
ASSIGN (resid 29 and name C and segid AAAA) (resid 30 and name N and segid AAAA) (resid 30 and name CA and segid AAAA) (resid 30 and name C and segid AAAA)  8.00 1.00
ASSIGN (resid 30 and name C and segid AAAA) (resid 31 and name N and segid AAAA) (resid 31 and name CA and segid AAAA) (resid 31 and name C and segid AAAA)  4.00 1.00
ASSIGN (resid 31 and name C and segid AAAA) (resid 32 and name N and segid AAAA) (resid 32 and name CA and segid AAAA) (resid 32 and name C and segid AAAA)  9.00 1.00
ASSIGN (resid 32 and name C and segid AAAA) (resid 33 and name N and segid AAAA) (resid 33 and name CA and segid AAAA) (resid 33 and name C and segid AAAA)  9.00 1.00
ASSIGN (resid 33 and name C and segid AAAA) (resid 34 and name N and segid AAAA) (resid 34 and name CA and segid AAAA) (resid 34 and name C and segid AAAA)  10.00 1.00
ASSIGN (resid 34 and name C and segid AAAA) (resid 35 and name N and segid AAAA) (resid 35 and name CA and segid AAAA) (resid 35 and name C and segid AAAA)  10.00 1.00
ASSIGN (resid 35 and name C and segid AAAA) (resid 36 and name N and segid AAAA) (resid 36 and name CA and segid AAAA) (resid 36 and name C and segid AAAA)  4.00 1.00
ASSIGN (resid 36 and name C and segid AAAA) (resid 37 and name N and segid AAAA) (resid 37 and name CA and segid AAAA) (resid 37 and name C and segid AAAA)  3.50 1.00
ASSIGN (resid 37 and name C and segid AAAA) (resid 38 and name N and segid AAAA) (resid 38 and name CA and segid AAAA) (resid 38 and name C and segid AAAA)  5 00 1.00
ASSIGN (resid 38 and name C and segid AAAA) (resid 39 and name N and segid AAAA) (resid 39 and name CA and segid AAAA) (resid 39 and name C and segid AAAA)  5.00 1.00
ASSIGN (resid 39 and name C and segid AAAA) (resid 40 and name N and segid AAAA) (resid 40 and name CA and segid AAAA) (resid 40 and name C and segid AAAA)  5.00 1.00
ASSIGN (resid 40 and name C and segid AAAA) (resid 41 and name N and segid AAAA) (resid 41 and name CA and segid AAAA) (resid 41 and name C and segid AAAA)  4.50 1.00
ASSIGN (resid 41 and name C and segid AAAA) (resid 42 and name N and segid AAAA) (resid 42 and name CA and segid AAAA) (resid 42 and name C and segid AAAA)  5.50 1.00
ASSIGN (resid 42 and name C and segid AAAA) (resid 43 and name N and segid AAAA) (resid 43 and name CA and segid AAAA) (resid 43 and name C and segid AAAA)  6.00 1.00
ASSIGN (resid 43 and name C and segid AAAA) (resid 44 and name N and segid AAAA) (resid 44 and name CA and segid AAAA) (resid 44 and name C and segid AAAA)  5.00 1.00
ASSIGN (resid 44 and name C and segid AAAA) (resid 45 and name N and segid AAAA) (resid 45 and name CA and segid AAAA) (resid 45 and name C and segid AAAA)  3.50 1.00
ASSIGN (resid 45 and name C and segid AAAA) (resid 46 and name N and segid AAAA) (resid 46 and name CA and segid AAAA) (resid 46 and name C and segid AAAA)  5.50 1.00
ASSIGN (resid 46 and name C and segid AAAA) (resid 47 and name N and segid AAAA) (resid 47 and name CA and segid AAAA) (resid 47 and name C and segid AAAA)  5.00 1.00
ASSIGN (resid 47 and name C and segid AAAA) (resid 48 and name N and segid AAAA) (resid 48 and name CA and segid AAAA) (resid 48 and name C and segid AAAA)  5.00 1.00
ASSIGN (resid 48 and name C and segid AAAA) (resid 49 and name N and segid AAAA) (resid 49 and name CA and segid AAAA) (resid 49 and name C and segid AAAA)  4.00 1.00
ASSIGN (resid 49 and name C and segid AAAA) (resid 50 and name N and segid AAAA) (resid 50 and name CA and segid AAAA) (resid 50 and name C and segid AAAA)  7.00 1.00
ASSIGN (resid 50 and name C and segid AAAA) (resid 51 and name N and segid AAAA) (resid 51 and name CA and segid AAAA) (resid 51 and name C and segid AAAA)  8.50 1.00
ASSIGN (resid 51 and name C and segid AAAA) (resid 52 and name N and segid AAAA) (resid 52 and name CA and segid AAAA) (resid 52 and name C and segid AAAA)  9.00 1.00
ASSIGN (resid 53 and name C and segid AAAA) (resid 54 and name N and segid AAAA) (resid 54 and name CA and segid AAAA) (resid 54 and name C and segid AAAA)  8.00 1.00
ASSIGN (resid 55 and name C and segid AAAA) (resid 56 and name N and segid AAAA) (resid 56 and name CA and segid AAAA) (resid 56 and name C and segid AAAA)  9.00 1.00 
ASSIGN (resid 4 and name C and segid BBBB) (resid 5 and name N and segid BBBB) (resid 5 and name CA and segid BBBB) (resid 5 and name C and segid BBBB)  8.00 1.00
ASSIGN (resid 5 and name C and segid BBBB) (resid 6 and name N and segid BBBB) (resid 6 and name CA and segid BBBB) (resid 6 and name C and segid BBBB)  8.50 1.00
ASSIGN (resid 6 and name C and segid BBBB) (resid 7 and name N and segid BBBB) (resid 7 and name CA and segid BBBB) (resid 7 and name C and segid BBBB)  8.50 1.00
ASSIGN (resid 7 and name C and segid BBBB) (resid 8 and name N and segid BBBB) (resid 8 and name CA and segid BBBB) (resid 8 and name C and segid BBBB)  8.50 1.00
ASSIGN (resid 8 and name C and segid BBBB) (resid 9 and name N and segid BBBB) (resid 9 and name CA and segid BBBB) (resid 9 and name C and segid BBBB)  7.50 1.00
ASSIGN (resid 9 and name C and segid BBBB) (resid 10 and name N and segid BBBB) (resid 10 and name CA and segid BBBB) (resid 10 and name C and segid BBBB)  6.00 1.00
ASSIGN (resid 10 and name C and segid BBBB) (resid 11 and name N and segid BBBB) (resid 11 and name CA and segid BBBB) (resid 11 and name C and segid BBBB)  10.00 1.00
ASSIGN (resid 11 and name C and segid BBBB) (resid 12 and name N and segid BBBB) (resid 12 and name CA and segid BBBB) (resid 12 and name C and segid BBBB)  8.00 1.00
ASSIGN (resid 12 and name C and segid BBBB) (resid 13 and name N and segid BBBB) (resid 13 and name CA and segid BBBB) (resid 13 and name C and segid BBBB)  10.00 1.00
ASSIGN (resid 13 and name C and segid BBBB) (resid 14 and name N and segid BBBB) (resid 14 and name CA and segid BBBB) (resid 14 and name C and segid BBBB)  8.00 1.00
ASSIGN (resid 14 and name C and segid BBBB) (resid 15 and name N and segid BBBB) (resid 15 and name CA and segid BBBB) (resid 15 and name C and segid BBBB)  9.50 1.00
ASSIGN (resid 15 and name C and segid BBBB) (resid 16 and name N and segid BBBB) (resid 16 and name CA and segid BBBB) (resid 16 and name C and segid BBBB)  9.00 1.00
ASSIGN (resid 19 and name C and segid BBBB) (resid 20 and name N and segid BBBB) (resid 20 and name CA and segid BBBB) (resid 20 and name C and segid BBBB)  3.50 1.00
ASSIGN (resid 20 and name C and segid BBBB) (resid 21 and name N and segid BBBB) (resid 21 and name CA and segid BBBB) (resid 21 and name C and segid BBBB)  8.50 1.00
ASSIGN (resid 22 and name C and segid BBBB) (resid 23 and name N and segid BBBB) (resid 23 and name CA and segid BBBB) (resid 23 and name C and segid BBBB)  4.00 1.00
ASSIGN (resid 23 and name C and segid BBBB) (resid 24 and name N and segid BBBB) (resid 24 and name CA and segid BBBB) (resid 24 and name C and segid BBBB)  7.00 1.00
ASSIGN (resid 24 and name C and segid BBBB) (resid 25 and name N and segid BBBB) (resid 25 and name CA and segid BBBB) (resid 25 and name C and segid BBBB)  5.00 1.00
ASSIGN (resid 25 and name C and segid BBBB) (resid 26 and name N and segid BBBB) (resid 26 and name CA and segid BBBB) (resid 26 and name C and segid BBBB)  4.00 1.00
ASSIGN (resid 26 and name C and segid BBBB) (resid 27 and name N and segid BBBB) (resid 27 and name CA and segid BBBB) (resid 27 and name C and segid BBBB)  5.00 1.00
ASSIGN (resid 27 and name C and segid BBBB) (resid 28 and name N and segid BBBB) (resid 28 and name CA and segid BBBB) (resid 28 and name C and segid BBBB)  4.50 1.00
ASSIGN (resid 28 and name C and segid BBBB) (resid 29 and name N and segid BBBB) (resid 29 and name CA and segid BBBB) (resid 29 and name C and segid BBBB)  4.00 1.00
ASSIGN (resid 29 and name C and segid BBBB) (resid 30 and name N and segid BBBB) (resid 30 and name CA and segid BBBB) (resid 30 and name C and segid BBBB)  8.00 1.00
ASSIGN (resid 30 and name C and segid BBBB) (resid 31 and name N and segid BBBB) (resid 31 and name CA and segid BBBB) (resid 31 and name C and segid BBBB)  4.00 1.00
ASSIGN (resid 31 and name C and segid BBBB) (resid 32 and name N and segid BBBB) (resid 32 and name CA and segid BBBB) (resid 32 and name C and segid BBBB)  9.00 1.00
ASSIGN (resid 32 and name C and segid BBBB) (resid 33 and name N and segid BBBB) (resid 33 and name CA and segid BBBB) (resid 33 and name C and segid BBBB)  9.00 1.00
ASSIGN (resid 33 and name C and segid BBBB) (resid 34 and name N and segid BBBB) (resid 34 and name CA and segid BBBB) (resid 34 and name C and segid BBBB)  10.00 1.00
ASSIGN (resid 34 and name C and segid BBBB) (resid 35 and name N and segid BBBB) (resid 35 and name CA and segid BBBB) (resid 35 and name C and segid BBBB)  10.00 1.00
ASSIGN (resid 35 and name C and segid BBBB) (resid 36 and name N and segid BBBB) (resid 36 and name CA and segid BBBB) (resid 36 and name C and segid BBBB)  4.00 1.00
ASSIGN (resid 36 and name C and segid BBBB) (resid 37 and name N and segid BBBB) (resid 37 and name CA and segid BBBB) (resid 37 and name C and segid BBBB)  3.50 1.00
ASSIGN (resid 37 and name C and segid BBBB) (resid 38 and name N and segid BBBB) (resid 38 and name CA and segid BBBB) (resid 38 and name C and segid BBBB)  5 00 1.00
ASSIGN (resid 38 and name C and segid BBBB) (resid 39 and name N and segid BBBB) (resid 39 and name CA and segid BBBB) (resid 39 and name C and segid BBBB)  5.00 1.00
ASSIGN (resid 39 and name C and segid BBBB) (resid 40 and name N and segid BBBB) (resid 40 and name CA and segid BBBB) (resid 40 and name C and segid BBBB)  5.00 1.00
ASSIGN (resid 40 and name C and segid BBBB) (resid 41 and name N and segid BBBB) (resid 41 and name CA and segid BBBB) (resid 41 and name C and segid BBBB)  4.50 1.00
ASSIGN (resid 41 and name C and segid BBBB) (resid 42 and name N and segid BBBB) (resid 42 and name CA and segid BBBB) (resid 42 and name C and segid BBBB)  5.50 1.00
ASSIGN (resid 42 and name C and segid BBBB) (resid 43 and name N and segid BBBB) (resid 43 and name CA and segid BBBB) (resid 43 and name C and segid BBBB)  6.00 1.00
ASSIGN (resid 43 and name C and segid BBBB) (resid 44 and name N and segid BBBB) (resid 44 and name CA and segid BBBB) (resid 44 and name C and segid BBBB)  5.00 1.00
ASSIGN (resid 44 and name C and segid BBBB) (resid 45 and name N and segid BBBB) (resid 45 and name CA and segid BBBB) (resid 45 and name C and segid BBBB)  3.50 1.00
ASSIGN (resid 45 and name C and segid BBBB) (resid 46 and name N and segid BBBB) (resid 46 and name CA and segid BBBB) (resid 46 and name C and segid BBBB)  5.50 1.00
ASSIGN (resid 46 and name C and segid BBBB) (resid 47 and name N and segid BBBB) (resid 47 and name CA and segid BBBB) (resid 47 and name C and segid BBBB)  5.00 1.00
ASSIGN (resid 47 and name C and segid BBBB) (resid 48 and name N and segid BBBB) (resid 48 and name CA and segid BBBB) (resid 48 and name C and segid BBBB)  5.00 1.00
ASSIGN (resid 48 and name C and segid BBBB) (resid 49 and name N and segid BBBB) (resid 49 and name CA and segid BBBB) (resid 49 and name C and segid BBBB)  4.00 1.00
ASSIGN (resid 49 and name C and segid BBBB) (resid 50 and name N and segid BBBB) (resid 50 and name CA and segid BBBB) (resid 50 and name C and segid BBBB)  7.00 1.00
ASSIGN (resid 50 and name C and segid BBBB) (resid 51 and name N and segid BBBB) (resid 51 and name CA and segid BBBB) (resid 51 and name C and segid BBBB)  8.50 1.00
ASSIGN (resid 51 and name C and segid BBBB) (resid 52 and name N and segid BBBB) (resid 52 and name CA and segid BBBB) (resid 52 and name C and segid BBBB)  9.00 1.00
ASSIGN (resid 53 and name C and segid BBBB) (resid 54 and name N and segid BBBB) (resid 54 and name CA and segid BBBB) (resid 54 and name C and segid BBBB)  8.00 1.00
ASSIGN (resid 55 and name C and segid BBBB) (resid 56 and name N and segid BBBB) (resid 56 and name CA and segid BBBB) (resid 56 and name C and segid BBBB)  9.00 1.00 

! h-bonds

assign (resid 23 and name HN and segid AAAA)  (resid 19 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 23 and name N and segid AAAA)  (resid 19 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 24 and name HN and segid AAAA)  (resid 20 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 24 and name N and segid AAAA)  (resid 20 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 25 and name HN and segid AAAA)  (resid 21 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 25 and name N and segid AAAA)  (resid 21 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 26 and name HN and segid AAAA)  (resid 22 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 26 and name N and segid AAAA)  (resid 22 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 27 and name HN and segid AAAA)  (resid 23 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 27 and name N and segid AAAA)  (resid 23 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 28 and name HN and segid AAAA)  (resid 24 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 28 and name N and segid AAAA)  (resid 24 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 29 and name HN and segid AAAA)  (resid 25 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 29 and name N and segid AAAA)  (resid 25 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 30 and name HN and segid AAAA)  (resid 26 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 30 and name N and segid AAAA)  (resid 26 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 31 and name HN and segid AAAA)  (resid 27 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 31 and name N and segid AAAA)  (resid 27 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 32 and name HN and segid AAAA)  (resid 28 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 32 and name N and segid AAAA)  (resid 28 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 40 and name HN and segid AAAA)  (resid 36 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 40 and name N and segid AAAA)  (resid 36 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 41 and name HN and segid AAAA)  (resid 37 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 41 and name N and segid AAAA)  (resid 37 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 42 and name HN and segid AAAA)  (resid 38 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 42 and name N and segid AAAA)  (resid 38 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 43 and name HN and segid AAAA)  (resid 39 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 43 and name N and segid AAAA)  (resid 39 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 44 and name HN and segid AAAA)  (resid 40 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 44 and name N and segid AAAA)  (resid 40 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 45 and name HN and segid AAAA)  (resid 41 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 45 and name N and segid AAAA)  (resid 41 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 46 and name HN and segid AAAA)  (resid 42 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 46 and name N and segid AAAA)  (resid 42 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 47 and name HN and segid AAAA)  (resid 43 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 47 and name N and segid AAAA)  (resid 43 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 48 and name HN and segid AAAA)  (resid 44 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 48 and name N and segid AAAA)  (resid 44 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 49 and name HN and segid AAAA)  (resid 45 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 49 and name N and segid AAAA)  (resid 45 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 50 and name HN and segid AAAA)  (resid 46 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 50 and name N and segid AAAA)  (resid 46 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 23 and name HN and segid BBBB)  (resid 19 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 23 and name N and segid BBBB)  (resid 19 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 24 and name HN and segid BBBB)  (resid 20 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 24 and name N and segid BBBB)  (resid 20 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 25 and name HN and segid BBBB)  (resid 21 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 25 and name N and segid BBBB)  (resid 21 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 26 and name HN and segid BBBB)  (resid 22 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 26 and name N and segid BBBB)  (resid 22 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 27 and name HN and segid BBBB)  (resid 23 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 27 and name N and segid BBBB)  (resid 23 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 28 and name HN and segid BBBB)  (resid 24 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 28 and name N and segid BBBB)  (resid 24 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 29 and name HN and segid BBBB)  (resid 25 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 29 and name N and segid BBBB)  (resid 25 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 30 and name HN and segid BBBB)  (resid 26 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 30 and name N and segid BBBB)  (resid 26 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 31 and name HN and segid BBBB)  (resid 27 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 31 and name N and segid BBBB)  (resid 27 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 32 and name HN and segid BBBB)  (resid 28 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 32 and name N and segid BBBB)  (resid 28 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 40 and name HN and segid BBBB)  (resid 36 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 40 and name N and segid BBBB)  (resid 36 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 41 and name HN and segid BBBB)  (resid 37 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 41 and name N and segid BBBB)  (resid 37 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 42 and name HN and segid BBBB)  (resid 38 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 42 and name N and segid BBBB)  (resid 38 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 43 and name HN and segid BBBB)  (resid 39 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 43 and name N and segid BBBB)  (resid 39 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 44 and name HN and segid BBBB)  (resid 40 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 44 and name N and segid BBBB)  (resid 40 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 45 and name HN and segid BBBB)  (resid 41 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 45 and name N and segid BBBB)  (resid 41 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 46 and name HN and segid BBBB)  (resid 42 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 46 and name N and segid BBBB)  (resid 42 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 47 and name HN and segid BBBB)  (resid 43 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 47 and name N and segid BBBB)  (resid 43 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 48 and name HN and segid BBBB)  (resid 44 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 48 and name N and segid BBBB)  (resid 44 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 49 and name HN and segid BBBB)  (resid 45 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 49 and name N and segid BBBB)  (resid 45 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 50 and name HN and segid BBBB)  (resid 46 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 50 and name N and segid BBBB)  (resid 46 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 17 and name HN and segid AAAA)  (resid 11 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 17 and name N and segid AAAA)  (resid 11 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 15 and name HN and segid AAAA)  (resid 13 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 15 and name N and segid AAAA)  (resid 13 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 13 and name HN and segid AAAA)  (resid 15 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 13 and name N and segid AAAA)  (resid 15 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 11 and name HN and segid AAAA)  (resid 17 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 11 and name N and segid AAAA)  (resid 17 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 17 and name HN and segid BBBB)  (resid 11 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 17 and name N and segid BBBB)  (resid 11 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 15 and name HN and segid BBBB)  (resid 13 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 15 and name N and segid BBBB)  (resid 13 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 13 and name HN and segid BBBB)  (resid 15 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 13 and name N and segid BBBB)  (resid 15 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 11 and name HN and segid BBBB)  (resid 17 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 11 and name N and segid BBBB)  (resid 17 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 22 and name HN and segid BBBB)  (resid 18 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 22 and name N and segid BBBB)  (resid 18 and name o and segid BBBB) 2.8 0.0 0.5
assign (resid 34 and name HN and segid BBBB)  (resid 29 and name o and segid BBBB) 1.8 0.0 0.5
assign (resid 34 and name N and segid BBBB)  (resid 29 and name o and segid BBBBB) 2.8 0.0 0.5
assign (resid 22 and name HN and segid AAAA)  (resid 18 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 22 and name N and segid AAAA)  (resid 18 and name o and segid AAAA) 2.8 0.0 0.5
assign (resid 34 and name HN and segid AAAA)  (resid 29 and name o and segid AAAA) 1.8 0.0 0.5
assign (resid 34 and name N and segid AAAA)  (resid 29 and name o and segid AAAA) 2.8 0.0 0.5

! distance restraints

ref_spec: weit, ref_peak: 1, id: 967, d: 4.60, u: 5.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   LYS45   HA    d: 5.11 +/- 0.21, weight: 0.5

      TRP21  HE1 -   LYS45   HA    d: 5.11 +/- 0.21, weight: 0.5

ref_spec: weit, ref_peak: 2, id: 968, d: 3.73, u: 5.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   PRO18  HG3    d: 4.77 +/- 0.48, weight: 0.2

      TRP21  HE1 -   PRO18  HB2    d: 4.39 +/- 0.55, weight: 0.4

      TRP21  HE1 -   PRO18  HG3    d: 4.72 +/- 0.61, weight: 0.2

ref_spec: weit, ref_peak: 3, id: 969, d: 6.17, u: 6.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   ILE17 HG21    d: 7.90 +/- 0.09, weight: 0.4
      TRP21  HE1 -   ILE17 HG22
      TRP21  HE1 -   ILE17 HG23

      TRP21  HE1 -   ALA43  HB1    d: 10.43 +/- 0.25, weight: 0.1
      TRP21  HE1 -   ALA43  HB2
      TRP21  HE1 -   ALA43  HB3

      TRP21  HE1 -   ILE17 HG21    d: 7.90 +/- 0.09, weight: 0.4
      TRP21  HE1 -   ILE17 HG22
      TRP21  HE1 -   ILE17 HG23

      TRP21  HE1 -   ALA43  HB1    d: 10.43 +/- 0.25, weight: 0.1
      TRP21  HE1 -   ALA43  HB2
      TRP21  HE1 -   ALA43  HB3

ref_spec: weit, ref_peak: 4, id: 970, d: 4.20, u: 10.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   GLY10    H    d: 3.63 +/- 0.40, weight: 0.5

      GLN19    H -   GLY10    H    d: 3.63 +/- 0.40, weight: 0.5

ref_spec: weit, ref_peak: 5, id: 971, d: 4.15, u: 8.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -    ASN9  HB2    d: 3.62 +/- 0.79, weight: 0.5
      GLN19    H -    ASN9  HB3

      GLN19    H -    ASN9  HB2    d: 3.61 +/- 0.80, weight: 0.5
      GLN19    H -    ASN9  HB3

ref_spec: weit, ref_peak: 6, id: 972, d: 6.26, u: 6.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36    H -   MET26  HB2    d: 6.58 +/- 0.35, weight: 0.5

      LEU36    H -   MET26  HB2    d: 6.58 +/- 0.35, weight: 0.5

ref_spec: weit, ref_peak: 7, id: 973, d: 4.02, u: 4.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36    H -   THR35 HG21    d: 4.46 +/- 0.08, weight: 0.5
      LEU36    H -   THR35 HG22
      LEU36    H -   THR35 HG23

      LEU36    H -   THR35 HG21    d: 4.46 +/- 0.08, weight: 0.5
      LEU36    H -   THR35 HG22
      LEU36    H -   THR35 HG23

ref_spec: weit, ref_peak: 8, id: 974, d: 5.85, u: 7.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36    H -   LEU34 HD11    d: 8.67 +/- 0.05, weight: 0.1
      LEU36    H -   LEU34 HD12
      LEU36    H -   LEU34 HD13

      LEU36    H -   ILE44 HD11    d: 8.00 +/- 0.28, weight: 0.2
      LEU36    H -   ILE44 HD12
      LEU36    H -   ILE44 HD13

      LEU36    H -   ILE44 HD11    d: 7.99 +/- 0.28, weight: 0.2
      LEU36    H -   ILE44 HD12
      LEU36    H -   ILE44 HD13

      LEU36    H -   LEU25 HD21    d: 9.39 +/- 0.60, weight: 0.1
      LEU36    H -   LEU25 HD22
      LEU36    H -   LEU25 HD23

      LEU36    H -   LEU34 HD11    d: 8.67 +/- 0.05, weight: 0.1
      LEU36    H -   LEU34 HD12
      LEU36    H -   LEU34 HD13

ref_spec: weit, ref_peak: 9, id: 975, d: 1.89, u: 3.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13    H -   LYS12   HA    d: 2.16 +/- 0.14, weight: 0.5

      LEU13    H -   LYS12   HA    d: 2.16 +/- 0.14, weight: 0.5

ref_spec: weit, ref_peak: 10, id: 976, d: 3.74, u: 4.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13    H -   LYS12  HB2    d: 4.09 +/- 0.28, weight: 0.5

      LEU13    H -   LYS12  HB2    d: 4.13 +/- 0.27, weight: 0.5

ref_spec: weit, ref_peak: 11, id: 977, d: 4.73, u: 5.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -   GLN19   HA    d: 5.53 +/- 0.49, weight: 0.4

      ILE11    H -   GLN19   HA    d: 5.54 +/- 0.49, weight: 0.4

ref_spec: weit, ref_peak: 12, id: 978, d: 6.06, u: 6.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -    ASN9  HB2    d: 6.63 +/- 0.51, weight: 0.4
      ILE11    H -    ASN9  HB3

      ILE11    H -    ASN9  HB2    d: 6.63 +/- 0.51, weight: 0.4
      ILE11    H -    ASN9  HB3

      ILE11    H -   LYS12  HE2    d: 7.98 +/- 0.67, weight: 0.1
      ILE11    H -   LYS12  HE3

ref_spec: weit, ref_peak: 13, id: 979, d: 5.42, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   ARG24  HG2    d: 6.25 +/- 0.47, weight: 0.4
      ASP23    H -   ARG24  HG3

      ASP23    H -   ARG24  HG2    d: 6.25 +/- 0.47, weight: 0.4
      ASP23    H -   ARG24  HG3

ref_spec: weit, ref_peak: 14, id: 980, d: 4.64, u: 5.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   ILE11 HG13    d: 5.26 +/- 0.71, weight: 0.5

      ILE17    H -   ILE11 HG13    d: 5.28 +/- 0.77, weight: 0.5

ref_spec: weit, ref_peak: 15, id: 981, d: 2.75, u: 5.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3    H -    PRO4  HD3    d: 3.40 +/- 0.69, weight: 0.4

       ARG3    H -    PRO4  HD3    d: 3.08 +/- 0.60, weight: 0.6

ref_spec: weit, ref_peak: 16, id: 982, d: 4.46, u: 8.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3    H -    ARG3  HD2    d: 4.99 +/- 0.48, weight: 0.5
       ARG3    H -    ARG3  HD3

       ARG3    H -    ARG3  HD2    d: 4.99 +/- 0.48, weight: 0.5
       ARG3    H -    ARG3  HD3

ref_spec: weit, ref_peak: 17, id: 983, d: 3.09, u: 7.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35    H -   ASP38  HB3    d: 3.12 +/- 0.13, weight: 0.5

      THR35    H -   ASP38  HB3    d: 3.12 +/- 0.13, weight: 0.5

ref_spec: weit, ref_peak: 18, id: 984, d: 4.66, u: 7.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37    H -   CYS40  HB3    d: 5.30 +/- 0.54, weight: 0.4

      SER37    H -   CYS40  HB3    d: 5.24 +/- 0.53, weight: 0.5

ref_spec: weit, ref_peak: 19, id: 985, d: 2.75, u: 5.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35    H -   THR35 HG21    d: 3.10 +/- 0.13, weight: 0.5
      THR35    H -   THR35 HG22
      THR35    H -   THR35 HG23

      THR35    H -   THR35 HG21    d: 3.10 +/- 0.13, weight: 0.5
      THR35    H -   THR35 HG22
      THR35    H -   THR35 HG23

ref_spec: weit, ref_peak: 20, id: 986, d: 5.48, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25    H -   ARG24 HH11    d: 5.97 +/- 0.19, weight: 0.5
      LEU25    H -   ARG24 HH12

      LEU25    H -   ARG24 HH11    d: 5.97 +/- 0.19, weight: 0.5
      LEU25    H -   ARG24 HH12

ref_spec: weit, ref_peak: 21, id: 987, d: 3.53, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12    H -   ILE11    H    d: 4.34 +/- 0.16, weight: 0.3

      LEU13    H -   LYS12    H    d: 4.38 +/- 0.05, weight: 0.2

      LYS12    H -   ILE11    H    d: 4.34 +/- 0.16, weight: 0.3

      LEU13    H -   LYS12    H    d: 4.38 +/- 0.05, weight: 0.2

ref_spec: weit, ref_peak: 22, id: 988, d: 2.23, u: 5.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45    H -   ILE44    H    d: 2.45 +/- 0.02, weight: 0.5

      LYS45    H -   ILE44    H    d: 2.45 +/- 0.02, weight: 0.5

ref_spec: weit, ref_peak: 23, id: 989, d: 3.41, u: 3.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45    H -   ARG41   HA    d: 4.56 +/- 0.16, weight: 0.2

      LEU48    H -   GLU46   HA    d: 4.46 +/- 0.06, weight: 0.2

      LYS45    H -   ARG41   HA    d: 4.56 +/- 0.16, weight: 0.2

      LEU48    H -   GLU46   HA    d: 4.46 +/- 0.06, weight: 0.2

ref_spec: weit, ref_peak: 24, id: 990, d: 2.61, u: 4.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12    H -   LYS12   HA    d: 2.92 +/- 0.02, weight: 0.5

      LYS12    H -   LYS12   HA    d: 2.92 +/- 0.02, weight: 0.5

ref_spec: weit, ref_peak: 25, id: 991, d: 2.58, u: 3.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48    H -   TYR47  HB3    d: 3.14 +/- 0.57, weight: 0.3

      LEU48    H -   TYR47  HB3    d: 2.77 +/- 0.59, weight: 0.6

ref_spec: weit, ref_peak: 26, id: 992, d: 2.44, u: 3.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48    H -   TYR47  HB2    d: 2.75 +/- 0.58, weight: 0.7

      LEU48    H -   TYR47  HB2    d: 3.11 +/- 0.58, weight: 0.3

ref_spec: weit, ref_peak: 27, id: 993, d: 4.45, u: 5.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45    H -   GLU46  HG2    d: 6.38 +/- 0.35, weight: 0.1

      LEU48    H -   GLU46  HG2    d: 5.34 +/- 0.41, weight: 0.2

      LEU48    H -   ASN50  HB2    d: 6.25 +/- 0.88, weight: 0.1

      LYS45    H -   GLU46  HG2    d: 6.43 +/- 0.33, weight: 0.1

      LEU48    H -   GLU46  HG2    d: 7.21 +/- 0.35, weight: 0.0

      LEU48    H -   GLU46  HG2    d: 5.33 +/- 0.40, weight: 0.2

      LEU48    H -   ASN50  HB2    d: 6.18 +/- 0.85, weight: 0.1

ref_spec: weit, ref_peak: 28, id: 994, d: 4.02, u: 4.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45    H -   GLU46  HB2    d: 4.82 +/- 0.09, weight: 0.3
      LYS45    H -   GLU46  HB3

      LEU48    H -   GLU46  HB2    d: 5.60 +/- 0.06, weight: 0.1
      LEU48    H -   GLU46  HB3

      LYS45    H -   ARG41  HG2    d: 6.15 +/- 0.49, weight: 0.1
      LYS45    H -   ARG41  HG3

      LYS45    H -   GLU46  HB2    d: 4.82 +/- 0.09, weight: 0.3
      LYS45    H -   GLU46  HB3

      LEU48    H -   GLU46  HB2    d: 5.60 +/- 0.06, weight: 0.1
      LEU48    H -   GLU46  HB3

ref_spec: weit, ref_peak: 29, id: 995, d: 2.64, u: 3.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45    H -   ILE44   HB    d: 3.07 +/- 0.13, weight: 0.5

      LYS45    H -   ILE44   HB    d: 3.07 +/- 0.13, weight: 0.5

ref_spec: weit, ref_peak: 30, id: 996, d: 2.31, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45    H -   ILE44 HG13    d: 3.18 +/- 0.21, weight: 0.2

      LEU48    H -   LEU48  HB3    d: 3.05 +/- 0.48, weight: 0.3

      LYS45    H -   ILE44 HG13    d: 3.21 +/- 0.25, weight: 0.2

      LEU48    H -   LEU48  HB3    d: 3.16 +/- 0.49, weight: 0.2

ref_spec: weit, ref_peak: 31, id: 997, d: 2.28, u: 2.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45    H -   LYS45  HB2    d: 2.55 +/- 0.05, weight: 0.5

      LYS45    H -   LYS45  HB2    d: 2.53 +/- 0.05, weight: 0.5

ref_spec: weit, ref_peak: 32, id: 998, d: 3.85, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48    H -   ILE44 HG21    d: 4.87 +/- 0.25, weight: 0.2
      LEU48    H -   ILE44 HG22
      LEU48    H -   ILE44 HG23

      LEU48    H -   LEU25   HG    d: 6.95 +/- 0.21, weight: 0.0

      LYS45    H -   LEU25   HG    d: 6.57 +/- 0.21, weight: 0.0

      LYS45    H -   ILE44 HG21    d: 5.05 +/- 0.10, weight: 0.2
      LYS45    H -   ILE44 HG22
      LYS45    H -   ILE44 HG23

      LEU48    H -   ILE44 HG21    d: 4.87 +/- 0.25, weight: 0.2
      LEU48    H -   ILE44 HG22
      LEU48    H -   ILE44 HG23

      LYS45    H -   ILE44 HG21    d: 5.05 +/- 0.10, weight: 0.2
      LYS45    H -   ILE44 HG22
      LYS45    H -   ILE44 HG23

      LYS45    H -   LEU25   HG    d: 6.57 +/- 0.21, weight: 0.0

ref_spec: weit, ref_peak: 33, id: 999, d: 4.45, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45    H -   ILE44 HD11    d: 5.47 +/- 0.17, weight: 0.4
      LYS45    H -   ILE44 HD12
      LYS45    H -   ILE44 HD13

      LYS45    H -   ILE44 HD11    d: 5.47 +/- 0.17, weight: 0.4
      LYS45    H -   ILE44 HD12
      LYS45    H -   ILE44 HD13

ref_spec: weit, ref_peak: 34, id: 1000, d: 3.21, u: 3.45, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48    H -   LEU48 HD21    d: 3.52 +/- 0.12, weight: 0.5
      LEU48    H -   LEU48 HD22
      LEU48    H -   LEU48 HD23

      LEU48    H -   LEU48 HD21    d: 3.52 +/- 0.12, weight: 0.5
      LEU48    H -   LEU48 HD22
      LEU48    H -   LEU48 HD23

ref_spec: weit, ref_peak: 35, id: 1001, d: 3.76, u: 3.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48    H -   LEU48 HD11    d: 4.37 +/- 0.03, weight: 0.4
      LEU48    H -   LEU48 HD12
      LEU48    H -   LEU48 HD13

      LEU48    H -   LEU48 HD11    d: 4.37 +/- 0.03, weight: 0.4
      LEU48    H -   LEU48 HD12
      LEU48    H -   LEU48 HD13

ref_spec: weit, ref_peak: 36, id: 1002, d: 3.13, u: 3.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   LYS45  HB3    d: 3.55 +/- 0.54, weight: 0.3

      GLU46    H -   LYS45  HB3    d: 3.12 +/- 0.57, weight: 0.7

ref_spec: weit, ref_peak: 37, id: 1003, d: 3.85, u: 4.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   ASP38   HA    d: 4.33 +/- 0.11, weight: 0.5

      CYS40    H -   ASP38   HA    d: 4.33 +/- 0.10, weight: 0.5

ref_spec: weit, ref_peak: 38, id: 1004, d: 3.66, u: 6.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54    H -   ASP52   HA    d: 4.32 +/- 0.86, weight: 0.5

      GLN54    H -   ASP52   HA    d: 4.32 +/- 0.86, weight: 0.5

ref_spec: weit, ref_peak: 39, id: 1005, d: 2.57, u: 3.75, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54    H -   LYS53  HB2    d: 3.79 +/- 0.51, weight: 0.5

      GLN54    H -   LYS53  HB2    d: 3.72 +/- 0.69, weight: 0.5

ref_spec: weit, ref_peak: 40, id: 1006, d: 3.77, u: 4.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54    H -   LYS53  HG2    d: 4.93 +/- 0.44, weight: 0.4
      GLN54    H -   LYS53  HG3

      GLN54    H -   LYS53  HG2    d: 4.93 +/- 0.44, weight: 0.4
      GLN54    H -   LYS53  HG3

      GLN54    H -   LYS56  HG2    d: 5.86 +/- 0.86, weight: 0.1
      GLN54    H -   LYS56  HG3

ref_spec: weit, ref_peak: 41, id: 1007, d: 4.52, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54    H -   LYS53  HD2    d: 4.85 +/- 0.36, weight: 0.5
      GLN54    H -   LYS53  HD3

      GLN54    H -   LYS53  HD2    d: 4.86 +/- 0.36, weight: 0.5
      GLN54    H -   LYS53  HD3

ref_spec: weit, ref_peak: 42, id: 1008, d: 4.56, u: 6.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5    H -    LYS6  HG2    d: 5.97 +/- 1.33, weight: 0.4

       TYR5    H -    LYS6  HG2    d: 5.86 +/- 1.28, weight: 0.5

ref_spec: weit, ref_peak: 43, id: 1009, d: 3.74, u: 5.39, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6    H -    PRO4  HB2    d: 5.09 +/- 1.18, weight: 0.4

       LYS6    H -    PRO4  HB2    d: 4.88 +/- 1.04, weight: 0.6

ref_spec: weit, ref_peak: 44, id: 1010, d: 2.17, u: 3.57, u_viol: 0.00, %_viol: 5.0, viol: no, reliable: no, a_type: A
       LYS6    H -    LEU7    H    d: 3.00 +/- 0.69, weight: 0.3

       LEU8    H -    LEU7    H    d: 3.45 +/- 0.94, weight: 0.2

       LYS6    H -    LEU7    H    d: 3.00 +/- 0.69, weight: 0.3

ref_spec: weit, ref_peak: 45, id: 1011, d: 4.72, u: 4.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31    H -   LYS32   HA    d: 5.29 +/- 0.01, weight: 0.5

      GLU31    H -   LYS32   HA    d: 5.29 +/- 0.01, weight: 0.5

ref_spec: weit, ref_peak: 46, id: 1012, d: 3.58, u: 3.90, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53    H -   ASP52  HB2    d: 3.81 +/- 0.67, weight: 0.5

      LYS53    H -   ASP52  HB2    d: 3.80 +/- 0.69, weight: 0.5

ref_spec: weit, ref_peak: 47, id: 1013, d: 2.11, u: 2.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53    H -   GLN54    H    d: 2.56 +/- 0.61, weight: 0.5

      LYS53    H -   GLN54    H    d: 2.56 +/- 0.61, weight: 0.5

ref_spec: weit, ref_peak: 48, id: 1014, d: 2.06, u: 3.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53    H -   ASP52   HA    d: 2.57 +/- 0.51, weight: 0.5

      LYS53    H -   ASP52   HA    d: 2.57 +/- 0.51, weight: 0.5

ref_spec: weit, ref_peak: 49, id: 1015, d: 3.04, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP52    H -   HIS51   HA    d: 3.55 +/- 0.01, weight: 0.5

      ASP52    H -   HIS51   HA    d: 3.55 +/- 0.01, weight: 0.5

ref_spec: weit, ref_peak: 50, id: 1016, d: 2.44, u: 3.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26    H -   LEU25    H    d: 2.88 +/- 0.02, weight: 0.5

      MET26    H -   LEU25    H    d: 2.88 +/- 0.02, weight: 0.5

ref_spec: weit, ref_peak: 51, id: 1017, d: 3.63, u: 4.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44    H -   TRP21  HH2    d: 4.14 +/- 0.30, weight: 0.5

      ILE44    H -   TRP21  HH2    d: 4.14 +/- 0.30, weight: 0.5

ref_spec: weit, ref_peak: 52, id: 1018, d: 2.85, u: 3.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44    H -   ILE44   HB    d: 3.30 +/- 0.12, weight: 0.4

      ILE44    H -   ILE44   HB    d: 3.30 +/- 0.12, weight: 0.4

ref_spec: weit, ref_peak: 53, id: 1019, d: 2.41, u: 3.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26    H -   LEU25  HB3    d: 2.51 +/- 0.15, weight: 0.5

      MET26    H -   LEU25  HB3    d: 2.48 +/- 0.07, weight: 0.5

ref_spec: weit, ref_peak: 54, id: 1020, d: 2.25, u: 2.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30    H -   LYS30  HB3    d: 2.58 +/- 0.03, weight: 0.5

      LYS30    H -   LYS30  HB3    d: 2.58 +/- 0.03, weight: 0.5

ref_spec: weit, ref_peak: 55, id: 1021, d: 4.24, u: 5.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39    H -   LEU36    H    d: 4.75 +/- 0.08, weight: 0.5

      VAL39    H -   LEU36    H    d: 4.75 +/- 0.08, weight: 0.5

ref_spec: weit, ref_peak: 56, id: 1022, d: 2.37, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38    H -   SER37    H    d: 2.65 +/- 0.03, weight: 0.4

      ASP38    H -   SER37    H    d: 2.65 +/- 0.03, weight: 0.4

ref_spec: weit, ref_peak: 57, id: 1023, d: 3.15, u: 3.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38    H -   SER37   HA    d: 3.49 +/- 0.01, weight: 0.5

      ASP38    H -   SER37   HA    d: 3.49 +/- 0.01, weight: 0.5

ref_spec: weit, ref_peak: 58, id: 1024, d: 2.15, u: 4.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38    H -   ASP38  HB2    d: 2.11 +/- 0.02, weight: 0.5

      ASP38    H -   ASP38  HB2    d: 2.11 +/- 0.02, weight: 0.5

ref_spec: weit, ref_peak: 59, id: 1025, d: 2.49, u: 3.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33    H -   LYS30   HA    d: 3.05 +/- 0.02, weight: 0.3

       LEU7    H -    LYS6   HA    d: 3.13 +/- 0.52, weight: 0.2

      ASN33    H -   LYS30   HA    d: 3.05 +/- 0.02, weight: 0.3

       LEU7    H -    LYS6   HA    d: 3.13 +/- 0.52, weight: 0.2

ref_spec: weit, ref_peak: 60, id: 1026, d: 4.00, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24 HH11 -   ARG24  HG2    d: 4.59 +/- 0.74, weight: 0.5
      ARG24 HH11 -   ARG24  HG3
      ARG24 HH12 -   ARG24  HG2
      ARG24 HH12 -   ARG24  HG3

      ARG24 HH11 -   ARG24  HG2    d: 4.59 +/- 0.74, weight: 0.5
      ARG24 HH11 -   ARG24  HG3
      ARG24 HH12 -   ARG24  HG2
      ARG24 HH12 -   ARG24  HG3

ref_spec: weit, ref_peak: 61, id: 1027, d: 3.91, u: 4.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10    H -   PRO18   HA    d: 3.38 +/- 0.42, weight: 0.5

      GLY10    H -   PRO18   HA    d: 3.38 +/- 0.42, weight: 0.5

ref_spec: weit, ref_peak: 62, id: 1028, d: 3.81, u: 4.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10    H -    ASN9  HB2    d: 4.08 +/- 0.56, weight: 0.5
      GLY10    H -    ASN9  HB3

      GLY10    H -    ASN9  HB2    d: 4.08 +/- 0.56, weight: 0.5
      GLY10    H -    ASN9  HB3

ref_spec: weit, ref_peak: 63, id: 1029, d: 4.54, u: 4.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10    H -   GLN19  HB3    d: 5.24 +/- 0.89, weight: 0.4

      GLY10    H -   GLN19  HB3    d: 5.13 +/- 0.86, weight: 0.5

ref_spec: weit, ref_peak: 64, id: 1030, d: 5.06, u: 5.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10    H -   PRO18  HG3    d: 5.80 +/- 0.64, weight: 0.2

      GLY10    H -   PRO18  HB2    d: 5.21 +/- 0.72, weight: 0.4

      GLY10    H -   PRO18  HG3    d: 5.77 +/- 0.59, weight: 0.2

      GLY10    H -   PRO18  HB2    d: 5.73 +/- 0.58, weight: 0.2

ref_spec: weit, ref_peak: 65, id: 1031, d: 3.47, u: 4.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28    H -   LEU25   HA    d: 3.62 +/- 0.06, weight: 0.5

      ILE28    H -   LEU25   HA    d: 3.62 +/- 0.06, weight: 0.5

ref_spec: weit, ref_peak: 66, id: 1032, d: 1.97, u: 2.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HB -   ILE28    H    d: 2.95 +/- 0.11, weight: 0.3

      ILE28   HB -   ILE28    H    d: 2.95 +/- 0.11, weight: 0.3

      LEU42    H -   LEU42  HB3    d: 3.00 +/- 0.50, weight: 0.3

ref_spec: weit, ref_peak: 67, id: 1033, d: 4.39, u: 5.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51    H -   LEU48  HB2    d: 4.92 +/- 0.15, weight: 0.4

      HIS51    H -   LEU48  HB2    d: 4.89 +/- 0.17, weight: 0.4

ref_spec: weit, ref_peak: 68, id: 1034, d: 4.26, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   ASN50    H    d: 4.67 +/- 0.05, weight: 0.5

      TYR47    H -   ASN50    H    d: 4.67 +/- 0.05, weight: 0.5

ref_spec: weit, ref_peak: 69, id: 1035, d: 3.38, u: 4.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   ILE28 HG12    d: 4.18 +/- 0.41, weight: 0.3

      TYR47    H -   ILE44 HG21    d: 5.04 +/- 0.07, weight: 0.1
      TYR47    H -   ILE44 HG22
      TYR47    H -   ILE44 HG23

      GLU27    H -   ILE28 HG12    d: 4.19 +/- 0.43, weight: 0.3

      ARG41 HH11 -   LEU42 HD11    d: 5.63 +/- 0.38, weight: 0.0
      ARG41 HH11 -   LEU42 HD12
      ARG41 HH11 -   LEU42 HD13
      ARG41 HH12 -   LEU42 HD11
      ARG41 HH12 -   LEU42 HD12
      ARG41 HH12 -   LEU42 HD13

      TYR47    H -   ILE44 HG21    d: 5.04 +/- 0.07, weight: 0.1
      TYR47    H -   ILE44 HG22
      TYR47    H -   ILE44 HG23

ref_spec: weit, ref_peak: 70, id: 1036, d: 5.83, u: 6.00, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   ILE44 HD11    d: 10.02 +/- 0.29, weight: 0.0
      GLU27    H -   ILE44 HD12
      GLU27    H -   ILE44 HD13

      ARG41 HH11 -   ILE44 HD11    d: 8.75 +/- 0.47, weight: 0.1
      ARG41 HH11 -   ILE44 HD12
      ARG41 HH11 -   ILE44 HD13
      ARG41 HH12 -   ILE44 HD11
      ARG41 HH12 -   ILE44 HD12
      ARG41 HH12 -   ILE44 HD13

      TYR47    H -   ILE44 HD11    d: 7.30 +/- 0.18, weight: 0.3
      TYR47    H -   ILE44 HD12
      TYR47    H -   ILE44 HD13

      TYR47    H -   ILE44 HD11    d: 10.21 +/- 0.31, weight: 0.0
      TYR47    H -   ILE44 HD12
      TYR47    H -   ILE44 HD13

      GLU27    H -   ILE44 HD11    d: 10.02 +/- 0.29, weight: 0.0
      GLU27    H -   ILE44 HD12
      GLU27    H -   ILE44 HD13

      ARG41 HH11 -   ILE44 HD11    d: 8.75 +/- 0.47, weight: 0.1
      ARG41 HH11 -   ILE44 HD12
      ARG41 HH11 -   ILE44 HD13
      ARG41 HH12 -   ILE44 HD11
      ARG41 HH12 -   ILE44 HD12
      ARG41 HH12 -   ILE44 HD13

      TYR47    H -   ILE44 HD11    d: 7.30 +/- 0.18, weight: 0.3
      TYR47    H -   ILE44 HD12
      TYR47    H -   ILE44 HD13

ref_spec: weit, ref_peak: 71, id: 1037, d: 4.61, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   LEU48 HD21    d: 5.94 +/- 0.13, weight: 0.2
      TYR47    H -   LEU48 HD22
      TYR47    H -   LEU48 HD23

      GLU27    H -   LEU25 HD11    d: 6.03 +/- 0.26, weight: 0.1
      GLU27    H -   LEU25 HD12
      GLU27    H -   LEU25 HD13

      GLU27    H -   ILE28 HD11    d: 6.08 +/- 0.23, weight: 0.1
      GLU27    H -   ILE28 HD12
      GLU27    H -   ILE28 HD13

      TYR47    H -   LEU48 HD21    d: 5.94 +/- 0.13, weight: 0.2
      TYR47    H -   LEU48 HD22
      TYR47    H -   LEU48 HD23

      GLU27    H -   LEU25 HD11    d: 6.03 +/- 0.26, weight: 0.1
      GLU27    H -   LEU25 HD12
      GLU27    H -   LEU25 HD13

      GLU27    H -   ILE28 HD11    d: 6.08 +/- 0.23, weight: 0.1
      GLU27    H -   ILE28 HD12
      GLU27    H -   ILE28 HD13

ref_spec: weit, ref_peak: 72, id: 1038, d: 2.46, u: 5.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ2 -   LYS45  HB3    d: 3.90 +/- 0.88, weight: 0.2

      TRP21  HZ2 -   LYS45  HB3    d: 3.28 +/- 0.76, weight: 0.7

ref_spec: weit, ref_peak: 73, id: 1039, d: 2.16, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   TRP21  HZ3    d: 2.43 +/- 0.01, weight: 0.5

      TRP21  HE3 -   TRP21  HZ3    d: 2.43 +/- 0.01, weight: 0.5

ref_spec: weit, ref_peak: 74, id: 1040, d: 4.11, u: 4.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   TRP21   HA    d: 4.89 +/- 0.05, weight: 0.4

      TRP21  HE3 -   TRP21   HA    d: 4.89 +/- 0.05, weight: 0.4

ref_spec: weit, ref_peak: 75, id: 1041, d: 3.36, u: 5.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ2 -   LYS45   HA    d: 4.00 +/- 0.26, weight: 0.5

      TRP21  HZ2 -   LYS45   HA    d: 4.00 +/- 0.26, weight: 0.5

ref_spec: weit, ref_peak: 76, id: 1042, d: 2.09, u: 5.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   ILE17   HB    d: 2.51 +/- 0.10, weight: 0.5

      TRP21  HE3 -   ILE17   HB    d: 2.51 +/- 0.10, weight: 0.5

ref_spec: weit, ref_peak: 77, id: 1043, d: 3.43, u: 4.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   ILE17 HG13    d: 3.29 +/- 0.57, weight: 0.4

      TRP21  HE3 -   ILE17 HG13    d: 3.17 +/- 0.54, weight: 0.5

ref_spec: weit, ref_peak: 78, id: 1044, d: 3.48, u: 4.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   LEU25   HG    d: 3.37 +/- 0.20, weight: 0.4

      TRP21  HE3 -   LEU25   HG    d: 3.37 +/- 0.20, weight: 0.4

ref_spec: weit, ref_peak: 79, id: 1045, d: 3.35, u: 5.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   ILE44 HD11    d: 2.97 +/- 0.33, weight: 0.5
      TRP21  HE3 -   ILE44 HD12
      TRP21  HE3 -   ILE44 HD13

      TRP21  HE3 -   ILE44 HD11    d: 2.97 +/- 0.33, weight: 0.5
      TRP21  HE3 -   ILE44 HD12
      TRP21  HE3 -   ILE44 HD13

ref_spec: weit, ref_peak: 80, id: 1046, d: 2.43, u: 4.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ASN9 HD22 -    ASN9  HB2    d: 2.82 +/- 0.50, weight: 0.5
       ASN9 HD22 -    ASN9  HB3

       ASN9 HD22 -    ASN9  HB2    d: 2.77 +/- 0.48, weight: 0.5
       ASN9 HD22 -    ASN9  HB3

ref_spec: weit, ref_peak: 81, id: 1047, d: 4.56, u: 6.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3 HH11 -    ARG3  HB2    d: 5.07 +/- 0.14, weight: 0.5
       ARG3 HH11 -    ARG3  HB3
       ARG3 HH12 -    ARG3  HB2
       ARG3 HH12 -    ARG3  HB3

       ARG3 HH11 -    ARG3  HB2    d: 5.07 +/- 0.14, weight: 0.5
       ARG3 HH11 -    ARG3  HB3
       ARG3 HH12 -    ARG3  HB2
       ARG3 HH12 -    ARG3  HB3

ref_spec: weit, ref_peak: 82, id: 1048, d: 3.03, u: 3.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   LYS45    H    d: 3.42 +/- 0.17, weight: 0.5

      TRP21  HH2 -   LYS45    H    d: 3.42 +/- 0.17, weight: 0.5

ref_spec: weit, ref_peak: 83, id: 1049, d: 4.59, u: 4.39, u_viol: 0.20, %_viol: 100.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   ARG41    H    d: 5.05 +/- 0.13, weight: 0.5

      TRP21  HH2 -   ARG41    H    d: 5.05 +/- 0.13, weight: 0.5

ref_spec: weit, ref_peak: 84, id: 1050, d: 3.17, u: 5.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21    H -   GLN19   HA    d: 3.65 +/- 0.05, weight: 0.4

      TRP21    H -   GLN19   HA    d: 3.66 +/- 0.05, weight: 0.4

ref_spec: weit, ref_peak: 85, id: 1051, d: 6.26, u: 7.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21    H -   GLY10  HA2    d: 6.80 +/- 0.37, weight: 0.4

      TRP21  HH2 -   GLY10  HA2    d: 8.60 +/- 0.28, weight: 0.1

      TRP21    H -   GLY10  HA2    d: 6.79 +/- 0.32, weight: 0.4

ref_spec: weit, ref_peak: 86, id: 1052, d: 4.23, u: 4.29, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   LYS45   HA    d: 4.78 +/- 0.11, weight: 0.5

      TRP21  HH2 -   LYS45   HA    d: 4.78 +/- 0.11, weight: 0.5

ref_spec: weit, ref_peak: 87, id: 1053, d: 3.44, u: 3.69, u_viol: 0.09, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   TRP21  HH2    d: 4.54 +/- 0.28, weight: 0.2

      TRP21    H -   GLU20  HG2    d: 4.41 +/- 0.05, weight: 0.2
      TRP21    H -   GLU20  HG3

      PRO18  HD2 -   TRP21  HH2    d: 4.49 +/- 0.27, weight: 0.2

      PRO18  HD2 -   TRP21    H    d: 4.65 +/- 0.80, weight: 0.1

      TRP21    H -   GLU20  HG2    d: 4.41 +/- 0.05, weight: 0.2
      TRP21    H -   GLU20  HG3

ref_spec: weit, ref_peak: 88, id: 1054, d: 3.08, u: 4.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   LYS45  HB3    d: 4.05 +/- 0.63, weight: 0.3

      TRP21  HH2 -   LYS45  HB3    d: 3.60 +/- 0.60, weight: 0.6

ref_spec: weit, ref_peak: 89, id: 1055, d: 5.01, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21    H -   ILE17 HG13    d: 4.64 +/- 0.68, weight: 0.4

      TRP21    H -   ILE17 HG13    d: 4.50 +/- 0.62, weight: 0.5

ref_spec: weit, ref_peak: 90, id: 1056, d: 3.86, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   ILE17 HG21    d: 4.95 +/- 0.18, weight: 0.4
      TRP21  HH2 -   ILE17 HG22
      TRP21  HH2 -   ILE17 HG23

      TRP21  HH2 -   ALA43  HB1    d: 7.01 +/- 0.25, weight: 0.0
      TRP21  HH2 -   ALA43  HB2
      TRP21  HH2 -   ALA43  HB3

      TRP21  HH2 -   ALA43  HB1    d: 7.01 +/- 0.25, weight: 0.0
      TRP21  HH2 -   ALA43  HB2
      TRP21  HH2 -   ALA43  HB3

      TRP21  HH2 -   ILE17 HG21    d: 4.95 +/- 0.18, weight: 0.4
      TRP21  HH2 -   ILE17 HG22
      TRP21  HH2 -   ILE17 HG23

ref_spec: weit, ref_peak: 91, id: 1057, d: 2.82, u: 2.85, u_viol: 0.07, %_viol: 10.0, viol: no, reliable: no, a_type: A
      TRP21  HD1 -   TRP21    H    d: 2.60 +/- 0.13, weight: 0.5

      TRP21  HD1 -   TRP21    H    d: 2.60 +/- 0.13, weight: 0.5

ref_spec: weit, ref_peak: 92, id: 1058, d: 4.50, u: 4.58, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   LYS45    H    d: 4.64 +/- 0.23, weight: 0.5

      TRP21  HZ3 -   LYS45    H    d: 4.63 +/- 0.23, weight: 0.5

ref_spec: weit, ref_peak: 93, id: 1059, d: 4.50, u: 4.38, u_viol: 0.12, %_viol: 75.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   PRO18  HD2    d: 4.51 +/- 0.33, weight: 0.5

      TRP21  HZ3 -   PRO18  HD2    d: 4.65 +/- 0.35, weight: 0.5

ref_spec: weit, ref_peak: 94, id: 1060, d: 4.71, u: 5.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   LEU36  HB2    d: 6.86 +/- 0.48, weight: 0.1

      TRP21  HZ3 -   LEU42   HG    d: 6.47 +/- 0.48, weight: 0.1

      TRP21  HZ3 -   LYS45  HB3    d: 6.09 +/- 0.61, weight: 0.2

      TRP21  HZ3 -   LEU42   HG    d: 6.47 +/- 0.48, weight: 0.1

      TRP21  HZ3 -   LYS45  HB3    d: 5.69 +/- 0.63, weight: 0.3

ref_spec: weit, ref_peak: 95, id: 1061, d: 5.54, u: 6.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   PRO18  HG3    d: 6.86 +/- 0.28, weight: 0.3

      TRP21  HZ3 -   PRO18  HB2    d: 7.51 +/- 0.44, weight: 0.1

      TRP21  HZ3 -   LYS45  HG2    d: 7.86 +/- 0.33, weight: 0.1
      TRP21  HZ3 -   LYS45  HG3

      TRP21  HZ3 -   LYS45  HG2    d: 7.86 +/- 0.33, weight: 0.1
      TRP21  HZ3 -   LYS45  HG3

      TRP21  HZ3 -   PRO18  HG3    d: 6.82 +/- 0.39, weight: 0.3

ref_spec: weit, ref_peak: 96, id: 1062, d: 4.22, u: 6.06, u_viol: 0.59, %_viol: 5.0, viol: no, reliable: no, a_type: A
       TYR5  HD1 -    PRO4  HB3    d: 4.78 +/- 1.40, weight: 0.5
       TYR5  HD2 -    PRO4  HB3

       TYR5  HD1 -    PRO4  HB3    d: 4.88 +/- 1.30, weight: 0.5
       TYR5  HD2 -    PRO4  HB3

ref_spec: weit, ref_peak: 97, id: 1063, d: 5.27, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HD2 -   GLN19 HE22    d: 5.86 +/- 0.31, weight: 0.4

      HIS22  HD2 -   GLN19 HE22    d: 5.83 +/- 0.26, weight: 0.4

      HIS22  HD2 -   ARG24    H    d: 7.24 +/- 0.34, weight: 0.1

ref_spec: weit, ref_peak: 98, id: 1064, d: 4.40, u: 4.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HD2 -   TRP21  HE3    d: 5.83 +/- 0.51, weight: 0.4

      HIS22  HD2 -   TRP21  HE3    d: 5.83 +/- 0.51, weight: 0.4

ref_spec: weit, ref_peak: 99, id: 1065, d: 3.34, u: 9.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   LYS12   HA    d: 4.01 +/- 0.72, weight: 0.5
      TYR16  HD2 -   LYS12   HA

      TYR16  HD1 -   LYS12   HA    d: 4.01 +/- 0.72, weight: 0.5
      TYR16  HD2 -   LYS12   HA

ref_spec: weit, ref_peak: 100, id: 1066, d: 5.57, u: 5.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   VAL15   HB    d: 6.96 +/- 0.66, weight: 0.3
      TYR16  HD2 -   VAL15   HB

      TYR16  HD1 -   ILE17   HB    d: 7.56 +/- 0.34, weight: 0.2
      TYR16  HD2 -   ILE17   HB

      TYR16  HD1 -   VAL15   HB    d: 6.96 +/- 0.66, weight: 0.3
      TYR16  HD2 -   VAL15   HB

      TYR16  HD1 -   ILE17   HB    d: 7.56 +/- 0.34, weight: 0.2
      TYR16  HD2 -   ILE17   HB

ref_spec: weit, ref_peak: 101, id: 1067, d: 1.54, u: 2.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ASN9 HD21 -    ASN9 HD22    d: 1.73 +/- 0.00, weight: 0.5

       ASN9 HD21 -    ASN9 HD22    d: 1.73 +/- 0.00, weight: 0.5

ref_spec: weit, ref_peak: 102, id: 1068, d: 5.03, u: 4.77, u_viol: 0.42, %_viol: 75.0, viol: no, reliable: no, a_type: A
      TYR47  HD1 -   HIS51  HB3    d: 4.42 +/- 0.40, weight: 0.5
      TYR47  HD2 -   HIS51  HB3

      TYR47  HD1 -   HIS51  HB3    d: 4.42 +/- 0.40, weight: 0.5
      TYR47  HD2 -   HIS51  HB3

ref_spec: weit, ref_peak: 103, id: 1069, d: 3.16, u: 4.23, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HD1 -   GLU46  HG3    d: 3.72 +/- 0.52, weight: 0.5
      TYR47  HD2 -   GLU46  HG3

      TYR47  HD1 -   GLU46  HG3    d: 3.80 +/- 0.75, weight: 0.4
      TYR47  HD2 -   GLU46  HG3

ref_spec: weit, ref_peak: 104, id: 1070, d: 5.23, u: 5.50, u_viol: 0.31, %_viol: 40.0, viol: no, reliable: no, a_type: A
      GLN19 HE21 -    LYS6  HD2    d: 5.75 +/- 1.06, weight: 0.5
      GLN19 HE21 -    LYS6  HD3

      GLN19 HE21 -    LYS6  HD2    d: 5.77 +/- 1.00, weight: 0.5
      GLN19 HE21 -    LYS6  HD3

ref_spec: weit, ref_peak: 105, id: 1071, d: 5.58, u: 6.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19 HE21 -    LYS6  HG2    d: 6.76 +/- 1.32, weight: 0.3

      GLN19 HE21 -    LYS6  HG2    d: 6.73 +/- 1.31, weight: 0.3

      GLN19 HE21 -   PRO18  HB2    d: 7.45 +/- 0.49, weight: 0.2

      GLN19 HE21 -   PRO18  HB2    d: 7.26 +/- 0.42, weight: 0.2

ref_spec: weit, ref_peak: 106, id: 1072, d: 3.44, u: 8.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HE1 -   LYS12   HA    d: 4.52 +/- 0.80, weight: 0.5
      TYR16  HE2 -   LYS12   HA

      TYR16  HE1 -   LYS12   HA    d: 4.52 +/- 0.80, weight: 0.5
      TYR16  HE2 -   LYS12   HA

ref_spec: weit, ref_peak: 107, id: 1073, d: 4.68, u: 4.99, u_viol: 0.41, %_viol: 15.0, viol: no, reliable: no, a_type: A
      TYR16  HE1 -   LYS12  HE2    d: 4.95 +/- 1.20, weight: 0.5
      TYR16  HE1 -   LYS12  HE3
      TYR16  HE2 -   LYS12  HE2
      TYR16  HE2 -   LYS12  HE3

      TYR16  HE1 -   LYS12  HE2    d: 4.95 +/- 1.20, weight: 0.5
      TYR16  HE1 -   LYS12  HE3
      TYR16  HE2 -   LYS12  HE2
      TYR16  HE2 -   LYS12  HE3

ref_spec: weit, ref_peak: 108, id: 1074, d: 5.60, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HE1 -   ALA43    H    d: 5.88 +/- 0.27, weight: 0.5
      TYR47  HE2 -   ALA43    H

      TYR47  HE1 -   ALA43    H    d: 5.88 +/- 0.26, weight: 0.5
      TYR47  HE2 -   ALA43    H

ref_spec: weit, ref_peak: 109, id: 1075, d: 2.56, u: 6.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35   HA -   THR35 HG21    d: 2.88 +/- 0.20, weight: 0.5
      THR35   HA -   THR35 HG22
      THR35   HA -   THR35 HG23

      THR35   HA -   THR35 HG21    d: 2.88 +/- 0.20, weight: 0.5
      THR35   HA -   THR35 HG22
      THR35   HA -   THR35 HG23

ref_spec: weit, ref_peak: 110, id: 1076, d: 2.51, u: 5.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38   HA -   ASP38    H    d: 2.81 +/- 0.01, weight: 0.5

      ASP38   HA -   ASP38    H    d: 2.81 +/- 0.01, weight: 0.5

ref_spec: weit, ref_peak: 111, id: 1077, d: 3.54, u: 6.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32   HA -   LEU34    H    d: 4.55 +/- 0.05, weight: 0.2

      TYR47   HA -   ASP49    H    d: 4.19 +/- 0.10, weight: 0.3

      TYR47   HA -   ASP49    H    d: 4.19 +/- 0.10, weight: 0.3

ref_spec: weit, ref_peak: 112, id: 1078, d: 2.94, u: 4.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32   HA -   ASN33    H    d: 3.28 +/- 0.01, weight: 0.5

      LYS32   HA -   ASN33    H    d: 3.28 +/- 0.01, weight: 0.5

ref_spec: weit, ref_peak: 113, id: 1079, d: 4.19, u: 7.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47   HA -   HIS51    H    d: 4.87 +/- 0.19, weight: 0.4

      TYR47   HA -   HIS51    H    d: 4.87 +/- 0.19, weight: 0.4

ref_spec: weit, ref_peak: 114, id: 1080, d: 4.04, u: 6.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32   HA -   ASN33  HB2    d: 4.89 +/- 0.48, weight: 0.5

      LYS32   HA -   ASN33  HB2    d: 4.89 +/- 0.48, weight: 0.5

ref_spec: weit, ref_peak: 115, id: 1081, d: 4.34, u: 5.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32   HA -   GLU31  HB2    d: 4.94 +/- 0.58, weight: 0.5

      LYS32   HA -   GLU31  HB2    d: 5.04 +/- 0.61, weight: 0.5

ref_spec: weit, ref_peak: 116, id: 1082, d: 2.21, u: 3.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54   HA -   LYS55    H    d: 3.29 +/- 0.39, weight: 0.5

      GLN54   HA -   LYS55    H    d: 3.29 +/- 0.39, weight: 0.5

ref_spec: weit, ref_peak: 117, id: 1083, d: 2.25, u: 3.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54   HA -   GLN54  HB3    d: 2.65 +/- 0.26, weight: 0.5

      GLN54   HA -   GLN54  HB3    d: 2.71 +/- 0.27, weight: 0.5

ref_spec: weit, ref_peak: 118, id: 1084, d: 4.55, u: 6.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20   HA -   PRO18  HB2    d: 5.03 +/- 0.48, weight: 0.5

      GLU20   HA -   PRO18  HB2    d: 5.46 +/- 0.38, weight: 0.3

ref_spec: weit, ref_peak: 119, id: 1085, d: 2.59, u: 3.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU7   HA -    LEU8    H    d: 2.86 +/- 0.52, weight: 0.5

       LEU7   HA -    LEU8    H    d: 2.86 +/- 0.52, weight: 0.5

ref_spec: weit, ref_peak: 120, id: 1086, d: 2.40, u: 3.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24   HA -   ARG24  HG2    d: 2.75 +/- 0.30, weight: 0.5
      ARG24   HA -   ARG24  HG3

      ARG24   HA -   ARG24  HG2    d: 2.75 +/- 0.30, weight: 0.5
      ARG24   HA -   ARG24  HG3

ref_spec: weit, ref_peak: 121, id: 1087, d: 5.18, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37   HA -   ASP38  HB2    d: 5.53 +/- 0.02, weight: 0.5

      SER37   HA -   ASP38  HB2    d: 5.53 +/- 0.02, weight: 0.5

ref_spec: weit, ref_peak: 122, id: 1088, d: 2.98, u: 3.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31   HA -   LYS32    H    d: 3.52 +/- 0.01, weight: 0.4

      GLU31   HA -   LYS32    H    d: 3.52 +/- 0.01, weight: 0.4

      SER37   HA -   VAL39    H    d: 4.71 +/- 0.15, weight: 0.1

ref_spec: weit, ref_peak: 123, id: 1089, d: 2.75, u: 5.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41   HA -   TRP21  HH2    d: 3.15 +/- 0.31, weight: 0.5

      ARG41   HA -   TRP21  HH2    d: 3.15 +/- 0.30, weight: 0.5

ref_spec: weit, ref_peak: 124, id: 1090, d: 3.18, u: 5.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25   HA -   MET26    H    d: 3.62 +/- 0.00, weight: 0.5

      LEU25   HA -   MET26    H    d: 3.62 +/- 0.00, weight: 0.5

ref_spec: weit, ref_peak: 125, id: 1091, d: 5.34, u: 10.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25   HA -   ILE28   HA    d: 5.86 +/- 0.09, weight: 0.5

      LEU25   HA -   ILE28   HA    d: 5.86 +/- 0.09, weight: 0.5

ref_spec: weit, ref_peak: 126, id: 1092, d: 2.81, u: 4.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25   HA -   ILE28 HG12    d: 2.93 +/- 0.60, weight: 0.4

      LEU25   HA -   LEU25   HG    d: 3.64 +/- 0.13, weight: 0.1

      LEU25   HA -   ILE28 HG12    d: 2.93 +/- 0.55, weight: 0.4

ref_spec: weit, ref_peak: 127, id: 1093, d: 3.37, u: 5.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22   HA -   LEU25    H    d: 4.80 +/- 0.08, weight: 0.5

      HIS22   HA -   LEU25    H    d: 4.80 +/- 0.08, weight: 0.5

ref_spec: weit, ref_peak: 128, id: 1094, d: 2.52, u: 5.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22   HA -   LEU25  HB2    d: 4.97 +/- 0.13, weight: 0.5

      HIS22   HA -   LEU25  HB2    d: 4.92 +/- 0.30, weight: 0.5

ref_spec: weit, ref_peak: 129, id: 1095, d: 4.46, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   LEU42    H    d: 5.12 +/- 0.04, weight: 0.5

      ALA43   HA -   LEU42    H    d: 5.11 +/- 0.04, weight: 0.5

ref_spec: weit, ref_peak: 130, id: 1096, d: 3.27, u: 5.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HD2 -    ARG3    H    d: 3.93 +/- 0.53, weight: 0.4

       PRO4  HD2 -    ARG3    H    d: 3.61 +/- 0.72, weight: 0.6

ref_spec: weit, ref_peak: 131, id: 1097, d: 3.69, u: 4.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA2 -   ILE11   HB    d: 4.69 +/- 0.21, weight: 0.2

      ALA29   HA -   LYS32  HD2    d: 4.63 +/- 0.57, weight: 0.2
      ALA29   HA -   LYS32  HD3

      GLY10  HA2 -   ILE11   HB    d: 4.69 +/- 0.19, weight: 0.2

      ALA29   HA -   LYS32  HD2    d: 4.63 +/- 0.57, weight: 0.2
      ALA29   HA -   LYS32  HD3

ref_spec: weit, ref_peak: 132, id: 1098, d: 3.16, u: 3.25, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29   HA -   LYS32  HB3    d: 3.82 +/- 0.75, weight: 0.5

      ALA29   HA -   LYS32  HB3    d: 3.97 +/- 0.72, weight: 0.4

ref_spec: weit, ref_peak: 133, id: 1099, d: 9.96, u: 10.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HA -   ASN50  HB3    d: 14.75 +/- 0.82, weight: 0.1

      VAL39   HA -   ASN50  HB3    d: 12.23 +/- 0.76, weight: 0.4

      VAL39   HA -   ASN50  HB3    d: 12.15 +/- 0.74, weight: 0.4

ref_spec: weit, ref_peak: 134, id: 1100, d: 2.56, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HD3 -   ARG24  HB2    d: 2.84 +/- 0.28, weight: 0.6
      ARG24  HD3 -   ARG24  HB3

      ARG24  HD3 -   ARG24  HB2    d: 2.97 +/- 0.26, weight: 0.4
      ARG24  HD3 -   ARG24  HB3

ref_spec: weit, ref_peak: 135, id: 1101, d: 3.25, u: 4.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38  HB3 -   LEU34  HB2    d: 2.89 +/- 0.69, weight: 0.8

      ASP38  HB3 -   LEU34  HB2    d: 3.61 +/- 0.65, weight: 0.2

ref_spec: weit, ref_peak: 136, id: 1102, d: 3.38, u: 4.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB2 -   PRO18  HD2    d: 5.39 +/- 1.18, weight: 0.3

      TRP21  HB2 -   PRO18  HD2    d: 4.73 +/- 1.17, weight: 0.7

ref_spec: weit, ref_peak: 137, id: 1103, d: 3.97, u: 5.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB2 -   LEU25  HB2    d: 2.71 +/- 0.75, weight: 0.6

      TRP21  HB2 -   LEU25  HB2    d: 2.87 +/- 0.75, weight: 0.4

ref_spec: weit, ref_peak: 138, id: 1104, d: 3.16, u: 3.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB2 -   ILE44 HG21    d: 3.60 +/- 0.36, weight: 0.4
      TYR47  HB2 -   ILE44 HG22
      TYR47  HB2 -   ILE44 HG23

      TYR47  HB2 -   ILE44 HG21    d: 3.38 +/- 0.28, weight: 0.6
      TYR47  HB2 -   ILE44 HG22
      TYR47  HB2 -   ILE44 HG23

ref_spec: weit, ref_peak: 139, id: 1105, d: 2.94, u: 2.90, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45   HA -   LEU48   HG    d: 3.31 +/- 0.02, weight: 0.5

      LYS45   HA -   LEU48   HG    d: 3.31 +/- 0.02, weight: 0.5

ref_spec: weit, ref_peak: 140, id: 1106, d: 2.61, u: 3.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45   HA -   LYS45  HB2    d: 2.87 +/- 0.25, weight: 0.4

      LYS45   HA -   LYS45  HB2    d: 2.67 +/- 0.27, weight: 0.6

ref_spec: weit, ref_peak: 141, id: 1107, d: 5.47, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12  HE2 -   TYR16    H    d: 4.92 +/- 0.28, weight: 0.5
      LYS12  HE3 -   TYR16    H

      LYS12  HE2 -   TYR16    H    d: 4.92 +/- 0.28, weight: 0.5
      LYS12  HE3 -   TYR16    H

ref_spec: weit, ref_peak: 142, id: 1108, d: 2.42, u: 3.85, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP52  HB2 -   ASP52   HA    d: 2.77 +/- 0.14, weight: 0.5

      ASP52  HB2 -   ASP52   HA    d: 2.77 +/- 0.14, weight: 0.5

ref_spec: weit, ref_peak: 143, id: 1109, d: 2.36, u: 3.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ASN9  HB2 -    ASN9   HA    d: 2.63 +/- 0.09, weight: 0.5
       ASN9  HB3 -    ASN9   HA

       ASN9  HB2 -    ASN9   HA    d: 2.63 +/- 0.09, weight: 0.5
       ASN9  HB3 -    ASN9   HA

ref_spec: weit, ref_peak: 144, id: 1110, d: 2.57, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ASN9  HB2 -   PRO18   HA    d: 3.32 +/- 0.38, weight: 0.2
       ASN9  HB3 -   PRO18   HA

      ASP38  HB2 -   ASP38   HA    d: 2.95 +/- 0.01, weight: 0.3

      ASP38  HB2 -   ASP38   HA    d: 2.95 +/- 0.01, weight: 0.3

ref_spec: weit, ref_peak: 145, id: 1111, d: 4.76, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP52  HB2 -   HIS51  HB2    d: 2.96 +/- 0.33, weight: 0.5

      ASP52  HB2 -   HIS51  HB2    d: 2.96 +/- 0.37, weight: 0.5

ref_spec: weit, ref_peak: 146, id: 1112, d: 5.44, u: 6.00, u_viol: 0.25, %_viol: 35.0, viol: no, reliable: no, a_type: A
      ASP52  HB2 -   GLN54  HG2    d: 5.28 +/- 0.32, weight: 0.5
      ASP52  HB2 -   GLN54  HG3

      ASP52  HB2 -   GLN54  HG2    d: 5.28 +/- 0.32, weight: 0.5
      ASP52  HB2 -   GLN54  HG3

ref_spec: weit, ref_peak: 147, id: 1113, d: 2.90, u: 4.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38  HB2 -   LEU34  HB2    d: 3.77 +/- 0.59, weight: 0.2

      ASP38  HB2 -   LEU34  HB2    d: 3.14 +/- 0.59, weight: 0.6

ref_spec: weit, ref_peak: 148, id: 1114, d: 7.11, u: 7.22, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB2 -   TRP21  HZ2    d: 9.89 +/- 0.62, weight: 0.1

      TYR16  HB2 -   TRP21  HE3    d: 9.00 +/- 0.38, weight: 0.2

      TYR16  HB2 -    ASN9 HD22    d: 10.11 +/- 1.51, weight: 0.1

      TYR16  HB2 -   TRP21  HZ2    d: 9.99 +/- 0.60, weight: 0.1

      TYR16  HB2 -   TRP21  HE3    d: 9.07 +/- 0.37, weight: 0.2

ref_spec: weit, ref_peak: 149, id: 1115, d: 3.05, u: 3.27, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG3 -   MET26    H    d: 2.09 +/- 0.37, weight: 0.6

      MET26  HG3 -   MET26    H    d: 2.23 +/- 0.55, weight: 0.4

ref_spec: weit, ref_peak: 150, id: 1116, d: 4.61, u: 5.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG3 -   LEU25  HB3    d: 3.42 +/- 0.44, weight: 0.6

      MET26  HG3 -   LEU25  HB3    d: 3.57 +/- 0.59, weight: 0.4

ref_spec: weit, ref_peak: 151, id: 1117, d: 4.77, u: 5.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG3 -   LEU25 HD11    d: 5.38 +/- 0.61, weight: 0.2
      MET26  HG3 -   LEU25 HD12
      MET26  HG3 -   LEU25 HD13

      MET26  HG3 -   LEU36 HD11    d: 5.51 +/- 0.55, weight: 0.2
      MET26  HG3 -   LEU36 HD12
      MET26  HG3 -   LEU36 HD13

      MET26  HG3 -   LEU25 HD11    d: 5.46 +/- 0.59, weight: 0.2
      MET26  HG3 -   LEU25 HD12
      MET26  HG3 -   LEU25 HD13

      MET26  HG3 -   LEU36 HD11    d: 5.45 +/- 0.55, weight: 0.2
      MET26  HG3 -   LEU36 HD12
      MET26  HG3 -   LEU36 HD13

ref_spec: weit, ref_peak: 152, id: 1118, d: 4.68, u: 6.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HG -   CYS40  HB2    d: 5.63 +/- 0.39, weight: 0.3

      CYS40  HB2 -   LEU13  HB2    d: 7.62 +/- 1.09, weight: 0.0

      GLU46  HG2 -   LYS45  HB2    d: 6.73 +/- 0.81, weight: 0.1

      CYS40  HB2 -   LEU13  HB2    d: 7.63 +/- 0.86, weight: 0.0

      LEU36   HG -   CYS40  HB2    d: 5.69 +/- 0.30, weight: 0.3

      GLU46  HG2 -   LYS45  HB2    d: 7.24 +/- 0.93, weight: 0.1

ref_spec: weit, ref_peak: 153, id: 1119, d: 5.71, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   LYS12  HE2    d: 9.33 +/- 1.80, weight: 0.1
      CYS40  HB2 -   LYS12  HE3

      CYS40  HB2 -   ASP38  HB2    d: 7.36 +/- 0.43, weight: 0.2

      ASN50  HB2 -   ASP52  HB2    d: 8.58 +/- 0.38, weight: 0.1

      CYS40  HB2 -   LYS12  HE2    d: 9.32 +/- 1.75, weight: 0.1
      CYS40  HB2 -   LYS12  HE3

      CYS40  HB2 -   ASP38  HB2    d: 7.32 +/- 0.44, weight: 0.3

      ASN50  HB2 -   ASP52  HB2    d: 8.62 +/- 0.32, weight: 0.1

ref_spec: weit, ref_peak: 154, id: 1120, d: 3.33, u: 3.30, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG2 -   LEU25  HB3    d: 3.88 +/- 0.45, weight: 0.5

      MET26  HG2 -   LEU25  HB3    d: 3.76 +/- 0.44, weight: 0.5

ref_spec: weit, ref_peak: 155, id: 1121, d: 2.19, u: 2.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   PRO18  HG3    d: 2.77 +/- 0.32, weight: 0.3

      PRO18  HD2 -   PRO18  HG3    d: 2.56 +/- 0.31, weight: 0.5

ref_spec: weit, ref_peak: 156, id: 1122, d: 4.93, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20  HG2 -    ASN9  HB2    d: 4.40 +/- 0.63, weight: 0.4
      GLU20  HG2 -    ASN9  HB3
      GLU20  HG3 -    ASN9  HB2
      GLU20  HG3 -    ASN9  HB3

      GLU20  HG2 -    ASN9  HB2    d: 4.39 +/- 0.63, weight: 0.4
      GLU20  HG2 -    ASN9  HB3
      GLU20  HG3 -    ASN9  HB2
      GLU20  HG3 -    ASN9  HB3

ref_spec: weit, ref_peak: 157, id: 1123, d: 2.29, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27  HB2 -   GLU27  HG2    d: 2.59 +/- 0.07, weight: 0.5
      GLU27  HB2 -   GLU27  HG3

      GLU27  HB2 -   GLU27  HG2    d: 2.60 +/- 0.07, weight: 0.5
      GLU27  HB2 -   GLU27  HG3

ref_spec: weit, ref_peak: 158, id: 1124, d: 4.01, u: 6.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HB2 -   ASN50 HD21    d: 5.08 +/- 0.69, weight: 0.3
      GLU46  HB3 -   ASN50 HD21

      GLU46  HB2 -   ASN50 HD21    d: 5.64 +/- 0.95, weight: 0.2
      GLU46  HB3 -   ASN50 HD21

      GLU46  HB2 -   ASN50 HD21    d: 5.24 +/- 0.84, weight: 0.3
      GLU46  HB3 -   ASN50 HD21

ref_spec: weit, ref_peak: 159, id: 1125, d: 3.59, u: 5.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HB -   ILE44 HD11    d: 4.00 +/- 0.26, weight: 0.4
      VAL39   HB -   ILE44 HD12
      VAL39   HB -   ILE44 HD13

      VAL39   HB -   ILE44 HD11    d: 4.00 +/- 0.26, weight: 0.4
      VAL39   HB -   ILE44 HD12
      VAL39   HB -   ILE44 HD13

ref_spec: weit, ref_peak: 160, id: 1126, d: 4.59, u: 5.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HB2 -   LEU25  HB2    d: 6.13 +/- 0.12, weight: 0.3

      GLU20  HB2 -   LEU25  HB2    d: 6.50 +/- 0.32, weight: 0.2
      GLU20  HB3 -   LEU25  HB2

      MET26  HB2 -   LEU25  HB2    d: 6.11 +/- 0.20, weight: 0.3

ref_spec: weit, ref_peak: 161, id: 1127, d: 3.71, u: 3.70, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HB -   LEU13    H    d: 4.40 +/- 0.64, weight: 0.3

      ILE17   HB -   ILE11    H    d: 5.25 +/- 0.16, weight: 0.1

      VAL15   HB -   LEU13    H    d: 4.40 +/- 0.64, weight: 0.3

      ILE17   HB -   ILE11    H    d: 5.25 +/- 0.16, weight: 0.1

ref_spec: weit, ref_peak: 162, id: 1128, d: 3.26, u: 3.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HB -   TYR16    H    d: 3.67 +/- 0.36, weight: 0.5

      VAL15   HB -   TYR16    H    d: 3.67 +/- 0.36, weight: 0.5

ref_spec: weit, ref_peak: 163, id: 1129, d: 5.37, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HB -   LEU13   HA    d: 6.30 +/- 0.57, weight: 0.3

      VAL15   HB -   LEU13   HA    d: 6.30 +/- 0.56, weight: 0.3

      VAL15   HB -   LEU13   HA    d: 7.62 +/- 0.60, weight: 0.1

ref_spec: weit, ref_peak: 164, id: 1130, d: 2.62, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17   HB -   ILE17 HD11    d: 3.04 +/- 0.05, weight: 0.5
      ILE17   HB -   ILE17 HD12
      ILE17   HB -   ILE17 HD13

      ILE17   HB -   ILE17 HD11    d: 3.04 +/- 0.05, weight: 0.5
      ILE17   HB -   ILE17 HD12
      ILE17   HB -   ILE17 HD13

ref_spec: weit, ref_peak: 165, id: 1131, d: 2.76, u: 3.22, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS55  HB3 -   LYS55    H    d: 3.27 +/- 0.51, weight: 0.5

      LYS55  HB3 -   LYS55    H    d: 3.35 +/- 0.51, weight: 0.4

ref_spec: weit, ref_peak: 166, id: 1132, d: 5.77, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36  HB2 -   MET26  HB2    d: 6.31 +/- 0.28, weight: 0.5

      LEU36  HB2 -   MET26  HB2    d: 6.43 +/- 0.43, weight: 0.5

ref_spec: weit, ref_peak: 167, id: 1133, d: 2.42, u: 2.39, u_viol: 0.03, %_viol: 20.0, viol: no, reliable: no, a_type: A
      LEU36  HB2 -   LEU36   HG    d: 2.61 +/- 0.16, weight: 0.5

      LEU36  HB2 -   LEU36   HG    d: 2.56 +/- 0.09, weight: 0.5

ref_spec: weit, ref_peak: 168, id: 1134, d: 2.69, u: 2.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HG -   LEU42  HB2    d: 2.70 +/- 0.25, weight: 0.6

      LEU42   HG -   LEU42  HB2    d: 2.81 +/- 0.25, weight: 0.4

ref_spec: weit, ref_peak: 169, id: 1135, d: 2.33, u: 3.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45  HB3 -   LYS45  HG2    d: 2.63 +/- 0.04, weight: 0.5
      LYS45  HB3 -   LYS45  HG3

      LYS45  HB3 -   LYS45  HG2    d: 2.59 +/- 0.08, weight: 0.5
      LYS45  HB3 -   LYS45  HG3

ref_spec: weit, ref_peak: 170, id: 1136, d: 2.42, u: 2.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36  HB2 -   LEU36 HD11    d: 2.76 +/- 0.23, weight: 0.4
      LEU36  HB2 -   LEU36 HD12
      LEU36  HB2 -   LEU36 HD13

      LEU36  HB2 -   LEU36 HD11    d: 2.70 +/- 0.15, weight: 0.5
      LEU36  HB2 -   LEU36 HD12
      LEU36  HB2 -   LEU36 HD13

ref_spec: weit, ref_peak: 171, id: 1137, d: 2.32, u: 3.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41  HB2 -   ARG41    H    d: 2.91 +/- 0.57, weight: 0.3

      ARG41  HB2 -   ARG41    H    d: 2.82 +/- 0.52, weight: 0.4

      LYS55  HB2 -   LYS55    H    d: 3.35 +/- 0.60, weight: 0.1

ref_spec: weit, ref_peak: 172, id: 1138, d: 4.56, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6  HB2 -    ASN9  HB2    d: 6.93 +/- 1.65, weight: 0.1
       LYS6  HB2 -    ASN9  HB3
       LYS6  HB3 -    ASN9  HB2
       LYS6  HB3 -    ASN9  HB3

      LEU34   HG -   ASP38  HB2    d: 5.81 +/- 0.06, weight: 0.4

      LEU34   HG -   ASP38  HB2    d: 5.81 +/- 0.06, weight: 0.4

ref_spec: weit, ref_peak: 173, id: 1139, d: 7.11, u: 11.40, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34   HG -   GLU31  HB3    d: 7.12 +/- 0.59, weight: 0.4

      LEU34   HG -   GLU31  HB3    d: 7.13 +/- 0.64, weight: 0.4

ref_spec: weit, ref_peak: 174, id: 1140, d: 6.41, u: 11.40, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6  HB2 -   GLU20  HG2    d: 6.78 +/- 1.53, weight: 0.3
       LYS6  HB2 -   GLU20  HG3
       LYS6  HB3 -   GLU20  HG2
       LYS6  HB3 -   GLU20  HG3

      LEU34   HG -   GLU31  HB2    d: 7.48 +/- 0.68, weight: 0.2

       LYS6  HB2 -   GLU20  HG2    d: 6.78 +/- 1.53, weight: 0.3
       LYS6  HB2 -   GLU20  HG3
       LYS6  HB3 -   GLU20  HG2
       LYS6  HB3 -   GLU20  HG3

      LEU34   HG -   GLU31  HB2    d: 7.47 +/- 0.63, weight: 0.2

ref_spec: weit, ref_peak: 176, id: 1142, d: 4.02, u: 4.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS55  HD2 -   LYS55    H    d: 4.72 +/- 0.48, weight: 0.5
      LYS55  HD3 -   LYS55    H

      LYS55  HD2 -   LYS55    H    d: 4.72 +/- 0.48, weight: 0.5
      LYS55  HD3 -   LYS55    H

ref_spec: weit, ref_peak: 177, id: 1143, d: 1.57, u: 2.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45  HB2 -   LYS45  HB3    d: 1.76 +/- 0.00, weight: 0.5

      LYS45  HB2 -   LYS45  HB3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: weit, ref_peak: 178, id: 1144, d: 5.49, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45  HB2 -   ALA43  HB1    d: 7.41 +/- 0.17, weight: 0.2
      LYS45  HB2 -   ALA43  HB2
      LYS45  HB2 -   ALA43  HB3

      LYS45  HB2 -   ALA43  HB1    d: 7.17 +/- 0.36, weight: 0.2
      LYS45  HB2 -   ALA43  HB2
      LYS45  HB2 -   ALA43  HB3

      LYS45  HB2 -   ALA43  HB1    d: 6.90 +/- 0.34, weight: 0.3
      LYS45  HB2 -   ALA43  HB2
      LYS45  HB2 -   ALA43  HB3

      LYS45  HB2 -   ALA43  HB1    d: 7.28 +/- 0.17, weight: 0.2
      LYS45  HB2 -   ALA43  HB2
      LYS45  HB2 -   ALA43  HB3

ref_spec: weit, ref_peak: 179, id: 1145, d: 2.21, u: 3.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU8  HB2 -    LEU8   HA    d: 2.66 +/- 0.05, weight: 0.3
       LEU8  HB3 -    LEU8   HA

       LEU8   HG -    LEU8   HA    d: 3.05 +/- 0.22, weight: 0.1

       LEU8  HB2 -    LEU8   HA    d: 2.66 +/- 0.05, weight: 0.3
       LEU8  HB3 -    LEU8   HA

ref_spec: weit, ref_peak: 180, id: 1146, d: 4.41, u: 4.93, u_viol: 0.13, %_viol: 10.0, viol: no, reliable: no, a_type: A
       LEU8  HB2 -    ASN9  HB2    d: 5.99 +/- 0.59, weight: 0.2
       LEU8  HB2 -    ASN9  HB3
       LEU8  HB3 -    ASN9  HB2
       LEU8  HB3 -    ASN9  HB3

       LEU8   HG -    ASN9  HB2    d: 7.19 +/- 0.81, weight: 0.1
       LEU8   HG -    ASN9  HB3

      LEU36   HG -   ASP38  HB2    d: 6.43 +/- 0.13, weight: 0.1

       LEU8  HB2 -    ASN9  HB2    d: 5.99 +/- 0.59, weight: 0.2
       LEU8  HB2 -    ASN9  HB3
       LEU8  HB3 -    ASN9  HB2
       LEU8  HB3 -    ASN9  HB3

       LEU8   HG -    ASN9  HB2    d: 7.19 +/- 0.81, weight: 0.1
       LEU8   HG -    ASN9  HB3

      LEU36   HG -   ASP38  HB2    d: 6.43 +/- 0.13, weight: 0.1

ref_spec: weit, ref_peak: 181, id: 1147, d: 3.16, u: 5.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HB2 -   ALA29   HA    d: 4.04 +/- 0.74, weight: 0.4

      LYS32  HB2 -   ALA29   HA    d: 3.89 +/- 0.78, weight: 0.5

ref_spec: weit, ref_peak: 182, id: 1148, d: 4.26, u: 5.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HG2 -   GLU31  HB2    d: 5.43 +/- 0.75, weight: 0.3
      LYS32  HG3 -   GLU31  HB2

      LYS32  HB2 -   GLU31  HB2    d: 5.87 +/- 0.87, weight: 0.2

      LYS32  HG2 -   GLU31  HB2    d: 5.53 +/- 0.84, weight: 0.3
      LYS32  HG3 -   GLU31  HB2

      LYS32  HB2 -   GLU31  HB2    d: 5.75 +/- 0.94, weight: 0.2

ref_spec: weit, ref_peak: 183, id: 1149, d: 3.13, u: 3.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34  HB2 -   ALA29   HA    d: 3.07 +/- 0.74, weight: 0.8

ref_spec: weit, ref_peak: 184, id: 1150, d: 1.56, u: 2.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34  HB2 -   LEU34  HB3    d: 1.76 +/- 0.00, weight: 0.5

      LEU34  HB2 -   LEU34  HB3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: weit, ref_peak: 185, id: 1151, d: 5.33, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35 HG21 -   LEU34    H    d: 6.27 +/- 0.18, weight: 0.5
      THR35 HG22 -   LEU34    H
      THR35 HG23 -   LEU34    H

      THR35 HG21 -   LEU34    H    d: 6.27 +/- 0.18, weight: 0.5
      THR35 HG22 -   LEU34    H
      THR35 HG23 -   LEU34    H

ref_spec: weit, ref_peak: 186, id: 1152, d: 5.81, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35 HG21 -   LYS30    H    d: 9.03 +/- 0.25, weight: 0.1
      THR35 HG22 -   LYS30    H
      THR35 HG23 -   LYS30    H

      THR35 HG21 -   VAL39    H    d: 6.64 +/- 0.47, weight: 0.4
      THR35 HG22 -   VAL39    H
      THR35 HG23 -   VAL39    H

      THR35 HG21 -   VAL39    H    d: 6.64 +/- 0.47, weight: 0.4
      THR35 HG22 -   VAL39    H
      THR35 HG23 -   VAL39    H

ref_spec: weit, ref_peak: 187, id: 1153, d: 3.63, u: 3.88, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35 HG21 -   LEU34   HA    d: 4.21 +/- 0.12, weight: 0.5
      THR35 HG22 -   LEU34   HA
      THR35 HG23 -   LEU34   HA

      THR35 HG21 -   LEU34   HA    d: 4.21 +/- 0.12, weight: 0.5
      THR35 HG22 -   LEU34   HA
      THR35 HG23 -   LEU34   HA

ref_spec: weit, ref_peak: 188, id: 1154, d: 2.28, u: 2.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35 HG21 -   THR35   HB    d: 2.56 +/- 0.00, weight: 0.5
      THR35 HG22 -   THR35   HB
      THR35 HG23 -   THR35   HB

      THR35 HG21 -   THR35   HB    d: 2.56 +/- 0.00, weight: 0.5
      THR35 HG22 -   THR35   HB
      THR35 HG23 -   THR35   HB

ref_spec: weit, ref_peak: 189, id: 1155, d: 2.98, u: 4.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6  HG2 -    LYS6   HA    d: 3.55 +/- 0.45, weight: 0.5

       LYS6  HG2 -    LYS6   HA    d: 3.50 +/- 0.48, weight: 0.5

ref_spec: weit, ref_peak: 190, id: 1156, d: 2.52, u: 4.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB2 -   GLU20    H    d: 2.79 +/- 0.34, weight: 0.6

      PRO18  HB2 -   GLU20    H    d: 3.05 +/- 0.27, weight: 0.4

ref_spec: weit, ref_peak: 191, id: 1157, d: 3.60, u: 4.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG3 -   TRP21  HZ2    d: 5.15 +/- 0.43, weight: 0.1

      PRO18  HG3 -    ASN9 HD22    d: 5.71 +/- 1.30, weight: 0.1

      PRO18  HB2 -   TRP21  HZ2    d: 6.00 +/- 0.40, weight: 0.0

      PRO18  HB2 -    ASN9 HD22    d: 5.11 +/- 1.53, weight: 0.1

      PRO18  HG3 -    ASN9 HD22    d: 5.71 +/- 1.26, weight: 0.1

      PRO18  HG3 -   TRP21  HZ2    d: 5.13 +/- 0.53, weight: 0.1

      PRO18  HB2 -    ASN9 HD22    d: 4.47 +/- 1.29, weight: 0.3

ref_spec: weit, ref_peak: 192, id: 1158, d: 2.63, u: 3.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB2 -   TRP21    H    d: 3.40 +/- 0.73, weight: 0.7

      PRO18  HB2 -   TRP21    H    d: 4.08 +/- 0.58, weight: 0.2

ref_spec: weit, ref_peak: 193, id: 1159, d: 2.15, u: 4.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG3 -   PRO18   HA    d: 3.13 +/- 0.27, weight: 0.1

      PRO18  HB2 -   PRO18   HA    d: 2.69 +/- 0.32, weight: 0.3

      PRO18  HB2 -   PRO18   HA    d: 2.39 +/- 0.25, weight: 0.5

ref_spec: weit, ref_peak: 194, id: 1160, d: 2.59, u: 4.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6  HG2 -    LYS6  HE2    d: 2.98 +/- 0.37, weight: 0.5
       LYS6  HG2 -    LYS6  HE3

       LYS6  HG2 -    LYS6  HE2    d: 3.09 +/- 0.40, weight: 0.4
       LYS6  HG2 -    LYS6  HE3

ref_spec: weit, ref_peak: 195, id: 1161, d: 2.20, u: 4.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG3 -   PRO18  HD3    d: 2.73 +/- 0.33, weight: 0.3

      PRO18  HG3 -   PRO18  HD3    d: 2.53 +/- 0.31, weight: 0.5

ref_spec: weit, ref_peak: 196, id: 1162, d: 2.60, u: 4.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB2 -   GLN19    H    d: 3.39 +/- 0.18, weight: 0.4

      PRO18  HB2 -   GLN19    H    d: 3.25 +/- 0.15, weight: 0.5

ref_spec: weit, ref_peak: 197, id: 1163, d: 2.41, u: 3.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25  HB2 -   MET26    H    d: 3.50 +/- 0.08, weight: 0.5

      LEU25  HB2 -   MET26    H    d: 3.47 +/- 0.19, weight: 0.5

ref_spec: weit, ref_peak: 198, id: 1164, d: 5.67, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25  HB2 -   TRP21    H    d: 4.65 +/- 0.20, weight: 0.5

      LEU25  HB2 -   TRP21    H    d: 4.72 +/- 0.52, weight: 0.5

ref_spec: weit, ref_peak: 199, id: 1165, d: 2.90, u: 5.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB2 -   TRP21  HD1    d: 3.91 +/- 0.77, weight: 0.6

      PRO18  HB2 -   TRP21  HD1    d: 4.65 +/- 0.73, weight: 0.2

ref_spec: weit, ref_peak: 200, id: 1166, d: 5.41, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25  HB2 -   ASP23   HA    d: 7.01 +/- 0.16, weight: 0.4

      LEU25  HB2 -   PRO18   HA    d: 8.75 +/- 0.17, weight: 0.1

      LEU25  HB2 -   ASP23   HA    d: 6.95 +/- 0.15, weight: 0.4

ref_spec: weit, ref_peak: 201, id: 1167, d: 4.99, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25  HB2 -   PRO18  HD2    d: 7.66 +/- 0.96, weight: 0.1

      LEU25  HB2 -   MET26  HB3    d: 6.88 +/- 0.21, weight: 0.2

      LEU25  HB2 -   PRO18  HD2    d: 7.08 +/- 0.92, weight: 0.2

      LEU25  HB2 -   MET26  HB3    d: 6.88 +/- 0.21, weight: 0.2

ref_spec: weit, ref_peak: 202, id: 1168, d: 2.79, u: 3.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25  HB2 -   LEU25 HD21    d: 2.97 +/- 0.23, weight: 0.5
      LEU25  HB2 -   LEU25 HD22
      LEU25  HB2 -   LEU25 HD23

      LEU25  HB2 -   LEU25 HD21    d: 2.93 +/- 0.14, weight: 0.5
      LEU25  HB2 -   LEU25 HD22
      LEU25  HB2 -   LEU25 HD23

ref_spec: weit, ref_peak: 203, id: 1169, d: 2.60, u: 3.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25  HB2 -   LEU25 HD11    d: 3.82 +/- 0.12, weight: 0.4
      LEU25  HB2 -   LEU25 HD12
      LEU25  HB2 -   LEU25 HD13

      LEU25  HB2 -   LEU25 HD11    d: 3.78 +/- 0.23, weight: 0.4
      LEU25  HB2 -   LEU25 HD12
      LEU25  HB2 -   LEU25 HD13

ref_spec: weit, ref_peak: 204, id: 1170, d: 4.29, u: 5.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   CYS40  HB2    d: 6.27 +/- 0.36, weight: 0.1
      ALA43  HB2 -   CYS40  HB2
      ALA43  HB3 -   CYS40  HB2

      ALA43  HB1 -   CYS40  HB2    d: 5.34 +/- 0.25, weight: 0.2
      ALA43  HB2 -   CYS40  HB2
      ALA43  HB3 -   CYS40  HB2

      ILE17 HG21 -   CYS40  HB2    d: 6.18 +/- 0.45, weight: 0.1
      ILE17 HG22 -   CYS40  HB2
      ILE17 HG23 -   CYS40  HB2

      ILE17 HG21 -   CYS40  HB2    d: 5.73 +/- 0.49, weight: 0.1
      ILE17 HG22 -   CYS40  HB2
      ILE17 HG23 -   CYS40  HB2

      ALA43  HB1 -   CYS40  HB2    d: 5.34 +/- 0.23, weight: 0.2
      ALA43  HB2 -   CYS40  HB2
      ALA43  HB3 -   CYS40  HB2

      ALA43  HB1 -   GLU46  HG2    d: 6.35 +/- 0.47, weight: 0.1
      ALA43  HB2 -   GLU46  HG2
      ALA43  HB3 -   GLU46  HG2

      ALA43  HB1 -   CYS40  HB2    d: 6.23 +/- 0.39, weight: 0.1
      ALA43  HB2 -   CYS40  HB2
      ALA43  HB3 -   CYS40  HB2

      ILE17 HG21 -   CYS40  HB2    d: 5.80 +/- 0.57, weight: 0.1
      ILE17 HG22 -   CYS40  HB2
      ILE17 HG23 -   CYS40  HB2

      ILE17 HG21 -   CYS40  HB2    d: 6.22 +/- 0.44, weight: 0.1
      ILE17 HG22 -   CYS40  HB2
      ILE17 HG23 -   CYS40  HB2

ref_spec: weit, ref_peak: 205, id: 1171, d: 4.49, u: 5.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG21 -   LEU36    H    d: 5.23 +/- 0.17, weight: 0.5
      VAL39 HG22 -   LEU36    H
      VAL39 HG23 -   LEU36    H

      VAL39 HG21 -   LEU36    H    d: 5.23 +/- 0.17, weight: 0.5
      VAL39 HG22 -   LEU36    H
      VAL39 HG23 -   LEU36    H

ref_spec: weit, ref_peak: 206, id: 1172, d: 3.32, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD21 -   THR35    H    d: 4.36 +/- 0.05, weight: 0.5
      LEU34 HD22 -   THR35    H
      LEU34 HD23 -   THR35    H

      LEU34 HD21 -   THR35    H    d: 4.36 +/- 0.05, weight: 0.5
      LEU34 HD22 -   THR35    H
      LEU34 HD23 -   THR35    H

ref_spec: weit, ref_peak: 207, id: 1173, d: 3.22, u: 13.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD21 -   ASP38  HB2    d: 4.93 +/- 0.09, weight: 0.5
      LEU34 HD22 -   ASP38  HB2
      LEU34 HD23 -   ASP38  HB2

      LEU34 HD21 -   ASP38  HB2    d: 4.93 +/- 0.09, weight: 0.5
      LEU34 HD22 -   ASP38  HB2
      LEU34 HD23 -   ASP38  HB2

ref_spec: weit, ref_peak: 208, id: 1174, d: 4.08, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG21 -   ILE28   HB    d: 4.58 +/- 0.14, weight: 0.4
      VAL39 HG22 -   ILE28   HB
      VAL39 HG23 -   ILE28   HB

      VAL39 HG21 -   LEU36  HB3    d: 5.87 +/- 0.22, weight: 0.1
      VAL39 HG22 -   LEU36  HB3
      VAL39 HG23 -   LEU36  HB3

      VAL39 HG21 -   ILE28   HB    d: 4.58 +/- 0.14, weight: 0.4
      VAL39 HG22 -   ILE28   HB
      VAL39 HG23 -   ILE28   HB

      VAL39 HG21 -   LEU36  HB3    d: 5.88 +/- 0.20, weight: 0.1
      VAL39 HG22 -   LEU36  HB3
      VAL39 HG23 -   LEU36  HB3

ref_spec: weit, ref_peak: 209, id: 1175, d: 2.89, u: 4.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD21 -   ASP38  HB3    d: 4.06 +/- 0.13, weight: 0.5
      LEU34 HD22 -   ASP38  HB3
      LEU34 HD23 -   ASP38  HB3

      LEU34 HD21 -   ASP38  HB3    d: 4.06 +/- 0.13, weight: 0.5
      LEU34 HD22 -   ASP38  HB3
      LEU34 HD23 -   ASP38  HB3

ref_spec: weit, ref_peak: 210, id: 1176, d: 2.56, u: 4.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42 HD11 -   ASP38  HB3    d: 3.42 +/- 1.13, weight: 0.3
      LEU42 HD12 -   ASP38  HB3
      LEU42 HD13 -   ASP38  HB3

      ILE44 HG21 -   TYR47  HB3    d: 3.62 +/- 0.36, weight: 0.2
      ILE44 HG22 -   TYR47  HB3
      ILE44 HG23 -   TYR47  HB3

      LEU42 HD11 -   ASP38  HB3    d: 3.42 +/- 1.13, weight: 0.3
      LEU42 HD12 -   ASP38  HB3
      LEU42 HD13 -   ASP38  HB3

      ILE44 HG21 -   TYR47  HB3    d: 3.40 +/- 0.29, weight: 0.3
      ILE44 HG22 -   TYR47  HB3
      ILE44 HG23 -   TYR47  HB3

ref_spec: weit, ref_peak: 211, id: 1177, d: 3.07, u: 3.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25   HG -   TRP21  HB2    d: 3.38 +/- 0.81, weight: 0.4

      LEU25   HG -   TRP21  HB2    d: 3.15 +/- 0.80, weight: 0.6

ref_spec: weit, ref_peak: 212, id: 1178, d: 2.25, u: 2.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG21 -   VAL15   HB    d: 2.55 +/- 0.00, weight: 0.5
      VAL15 HG22 -   VAL15   HB
      VAL15 HG23 -   VAL15   HB

      VAL15 HG21 -   VAL15   HB    d: 2.55 +/- 0.00, weight: 0.5
      VAL15 HG22 -   VAL15   HB
      VAL15 HG23 -   VAL15   HB

ref_spec: weit, ref_peak: 213, id: 1179, d: 4.93, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG21 -   LEU13    H    d: 5.53 +/- 0.84, weight: 0.3
      VAL15 HG22 -   LEU13    H
      VAL15 HG23 -   LEU13    H

      VAL15 HG21 -   LEU13    H    d: 6.48 +/- 1.40, weight: 0.1
      VAL15 HG22 -   LEU13    H
      VAL15 HG23 -   LEU13    H

      VAL15 HG21 -   LEU13    H    d: 6.48 +/- 1.40, weight: 0.1
      VAL15 HG22 -   LEU13    H
      VAL15 HG23 -   LEU13    H

      VAL15 HG21 -   LEU13    H    d: 5.53 +/- 0.84, weight: 0.3
      VAL15 HG22 -   LEU13    H
      VAL15 HG23 -   LEU13    H

ref_spec: weit, ref_peak: 215, id: 1181, d: 3.48, u: 4.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG21 -   GLY14  HA3    d: 4.67 +/- 0.93, weight: 0.4
      VAL15 HG22 -   GLY14  HA3
      VAL15 HG23 -   GLY14  HA3

      VAL15 HG21 -   GLY14  HA3    d: 4.67 +/- 0.90, weight: 0.4
      VAL15 HG22 -   GLY14  HA3
      VAL15 HG23 -   GLY14  HA3

      VAL15 HG21 -   GLY14  HA3    d: 5.74 +/- 1.17, weight: 0.1
      VAL15 HG22 -   GLY14  HA3
      VAL15 HG23 -   GLY14  HA3

ref_spec: weit, ref_peak: 216, id: 1182, d: 3.65, u: 13.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG21 -   LYS12  HE2    d: 6.01 +/- 1.02, weight: 0.1
      VAL15 HG21 -   LYS12  HE3
      VAL15 HG22 -   LYS12  HE2
      VAL15 HG22 -   LYS12  HE3
      VAL15 HG23 -   LYS12  HE2
      VAL15 HG23 -   LYS12  HE3

      LEU42 HD11 -   ASP38  HB2    d: 5.15 +/- 1.11, weight: 0.3
      LEU42 HD12 -   ASP38  HB2
      LEU42 HD13 -   ASP38  HB2

      VAL15 HG21 -   LYS12  HE2    d: 6.01 +/- 1.02, weight: 0.1
      VAL15 HG21 -   LYS12  HE3
      VAL15 HG22 -   LYS12  HE2
      VAL15 HG22 -   LYS12  HE3
      VAL15 HG23 -   LYS12  HE2
      VAL15 HG23 -   LYS12  HE3

      LEU42 HD11 -   ASP38  HB2    d: 5.15 +/- 1.11, weight: 0.3
      LEU42 HD12 -   ASP38  HB2
      LEU42 HD13 -   ASP38  HB2

ref_spec: weit, ref_peak: 217, id: 1183, d: 4.79, u: 5.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13 HD21 -   GLY14  HA3    d: 7.15 +/- 0.19, weight: 0.1
      LEU13 HD22 -   GLY14  HA3
      LEU13 HD23 -   GLY14  HA3

      LEU13 HD21 -   GLY14  HA3    d: 6.88 +/- 0.30, weight: 0.1
      LEU13 HD22 -   GLY14  HA3
      LEU13 HD23 -   GLY14  HA3

      VAL15 HG11 -   GLY14  HA3    d: 6.02 +/- 0.96, weight: 0.2
      VAL15 HG12 -   GLY14  HA3
      VAL15 HG13 -   GLY14  HA3

      LEU13 HD21 -   GLY14  HA3    d: 6.90 +/- 0.35, weight: 0.1
      LEU13 HD22 -   GLY14  HA3
      LEU13 HD23 -   GLY14  HA3

      LEU13 HD21 -   GLY14  HA3    d: 7.13 +/- 0.17, weight: 0.1
      LEU13 HD22 -   GLY14  HA3
      LEU13 HD23 -   GLY14  HA3

      VAL15 HG11 -   GLY14  HA3    d: 6.04 +/- 0.92, weight: 0.2
      VAL15 HG12 -   GLY14  HA3
      VAL15 HG13 -   GLY14  HA3

ref_spec: weit, ref_peak: 218, id: 1184, d: 3.42, u: 4.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG11 -   CYS40  HB2    d: 3.73 +/- 0.95, weight: 0.4
      VAL15 HG12 -   CYS40  HB2
      VAL15 HG13 -   CYS40  HB2

      VAL15 HG11 -   CYS40  HB2    d: 3.67 +/- 0.84, weight: 0.5
      VAL15 HG12 -   CYS40  HB2
      VAL15 HG13 -   CYS40  HB2

ref_spec: weit, ref_peak: 219, id: 1185, d: 2.25, u: 2.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG11 -   VAL15   HB    d: 2.54 +/- 0.01, weight: 0.5
      VAL15 HG12 -   VAL15   HB
      VAL15 HG13 -   VAL15   HB

      VAL15 HG11 -   VAL15   HB    d: 2.54 +/- 0.01, weight: 0.5
      VAL15 HG12 -   VAL15   HB
      VAL15 HG13 -   VAL15   HB

ref_spec: weit, ref_peak: 220, id: 1186, d: 5.19, u: 6.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HD11 -   ARG41  HD2    d: 7.28 +/- 0.51, weight: 0.1
      ILE44 HD12 -   ARG41  HD2
      ILE44 HD13 -   ARG41  HD2

      ILE44 HD11 -   TYR47  HB3    d: 6.48 +/- 0.21, weight: 0.3
      ILE44 HD12 -   TYR47  HB3
      ILE44 HD13 -   TYR47  HB3

      ILE44 HD11 -   ARG41  HD2    d: 7.28 +/- 0.51, weight: 0.1
      ILE44 HD12 -   ARG41  HD2
      ILE44 HD13 -   ARG41  HD2

      ILE44 HD11 -   TYR47  HB3    d: 6.46 +/- 0.18, weight: 0.3
      ILE44 HD12 -   TYR47  HB3
      ILE44 HD13 -   TYR47  HB3

ref_spec: weit, ref_peak: 221, id: 1187, d: 2.52, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD11 -   LEU34  HB3    d: 2.81 +/- 0.03, weight: 0.5
      LEU34 HD12 -   LEU34  HB3
      LEU34 HD13 -   LEU34  HB3

      LEU34 HD11 -   LEU34  HB3    d: 2.84 +/- 0.03, weight: 0.5
      LEU34 HD12 -   LEU34  HB3
      LEU34 HD13 -   LEU34  HB3

ref_spec: weit, ref_peak: 222, id: 1188, d: 2.93, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28 HG21 -   ALA29    H    d: 4.76 +/- 0.13, weight: 0.2
      ILE28 HG22 -   ALA29    H
      ILE28 HG23 -   ALA29    H

      LEU25    H -   LEU25 HD21    d: 4.27 +/- 0.39, weight: 0.3
      LEU25    H -   LEU25 HD22
      LEU25    H -   LEU25 HD23

      ILE28 HG21 -   ALA29    H    d: 4.76 +/- 0.13, weight: 0.2
      ILE28 HG22 -   ALA29    H
      ILE28 HG23 -   ALA29    H

      LEU25    H -   LEU25 HD21    d: 4.27 +/- 0.39, weight: 0.3
      LEU25    H -   LEU25 HD22
      LEU25    H -   LEU25 HD23

ref_spec: weit, ref_peak: 223, id: 1189, d: 6.19, u: 6.00, u_viol: 0.51, %_viol: 50.0, viol: no, reliable: no, a_type: A
      LEU25 HD21 -   TYR47  HD1    d: 5.99 +/- 0.38, weight: 0.3
      LEU25 HD21 -   TYR47  HD2
      LEU25 HD22 -   TYR47  HD1
      LEU25 HD22 -   TYR47  HD2
      LEU25 HD23 -   TYR47  HD1
      LEU25 HD23 -   TYR47  HD2

      LEU25 HD21 -   TYR47  HD1    d: 5.99 +/- 0.38, weight: 0.3
      LEU25 HD21 -   TYR47  HD2
      LEU25 HD22 -   TYR47  HD1
      LEU25 HD22 -   TYR47  HD2
      LEU25 HD23 -   TYR47  HD1
      LEU25 HD23 -   TYR47  HD2

      ILE28 HG21 -   TYR47  HD1    d: 6.90 +/- 0.37, weight: 0.1
      ILE28 HG21 -   TYR47  HD2
      ILE28 HG22 -   TYR47  HD1
      ILE28 HG22 -   TYR47  HD2
      ILE28 HG23 -   TYR47  HD1
      ILE28 HG23 -   TYR47  HD2

ref_spec: weit, ref_peak: 224, id: 1190, d: 6.35, u: 7.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HD11 -   TRP21   HA    d: 6.93 +/- 0.33, weight: 0.4
      ILE44 HD12 -   TRP21   HA
      ILE44 HD13 -   TRP21   HA

      ILE44 HD11 -   TRP21   HA    d: 6.93 +/- 0.32, weight: 0.4
      ILE44 HD12 -   TRP21   HA
      ILE44 HD13 -   TRP21   HA

ref_spec: weit, ref_peak: 225, id: 1191, d: 4.74, u: 4.80, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HD11 -   ALA43    H    d: 6.12 +/- 0.29, weight: 0.2
      ILE44 HD12 -   ALA43    H
      ILE44 HD13 -   ALA43    H

      ILE44 HD11 -   ALA43    H    d: 5.79 +/- 0.23, weight: 0.3
      ILE44 HD12 -   ALA43    H
      ILE44 HD13 -   ALA43    H

      ILE44 HD11 -   ALA43    H    d: 5.79 +/- 0.23, weight: 0.3
      ILE44 HD12 -   ALA43    H
      ILE44 HD13 -   ALA43    H

      ILE44 HD11 -   ALA43    H    d: 6.13 +/- 0.29, weight: 0.2
      ILE44 HD12 -   ALA43    H
      ILE44 HD13 -   ALA43    H

ref_spec: weit, ref_peak: 226, id: 1192, d: 2.70, u: 3.60, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU7 HD21 -    LEU7   HA    d: 3.22 +/- 0.96, weight: 0.4
       LEU7 HD22 -    LEU7   HA
       LEU7 HD23 -    LEU7   HA

       LEU7 HD21 -    LEU7   HA    d: 3.22 +/- 0.96, weight: 0.4
       LEU7 HD22 -    LEU7   HA
       LEU7 HD23 -    LEU7   HA

ref_spec: weit, ref_peak: 227, id: 1193, d: 2.51, u: 3.09, u_viol: 0.17, %_viol: 20.0, viol: no, reliable: no, a_type: A
      ILE44 HD11 -   ARG41   HA    d: 2.99 +/- 0.39, weight: 0.5
      ILE44 HD12 -   ARG41   HA
      ILE44 HD13 -   ARG41   HA

      ILE44 HD11 -   ARG41   HA    d: 2.99 +/- 0.39, weight: 0.5
      ILE44 HD12 -   ARG41   HA
      ILE44 HD13 -   ARG41   HA

ref_spec: weit, ref_peak: 228, id: 1194, d: 2.61, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25 HD11 -   LEU25  HB3    d: 2.82 +/- 0.22, weight: 0.5
      LEU25 HD12 -   LEU25  HB3
      LEU25 HD13 -   LEU25  HB3

      LEU25 HD11 -   LEU25  HB3    d: 2.78 +/- 0.04, weight: 0.5
      LEU25 HD12 -   LEU25  HB3
      LEU25 HD13 -   LEU25  HB3

ref_spec: weit, ref_peak: 229, id: 1195, d: 1.91, u: 3.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36 HD11 -   LEU36   HG    d: 2.56 +/- 0.00, weight: 0.2
      LEU36 HD12 -   LEU36   HG
      LEU36 HD13 -   LEU36   HG

      ILE28 HD11 -   ILE28 HG13    d: 2.55 +/- 0.00, weight: 0.2
      ILE28 HD12 -   ILE28 HG13
      ILE28 HD13 -   ILE28 HG13

      LEU36 HD11 -   LEU36   HG    d: 2.56 +/- 0.00, weight: 0.2
      LEU36 HD12 -   LEU36   HG
      LEU36 HD13 -   LEU36   HG

      ILE28 HD11 -   ILE28 HG13    d: 2.55 +/- 0.00, weight: 0.2
      ILE28 HD12 -   ILE28 HG13
      ILE28 HD13 -   ILE28 HG13

ref_spec: weit, ref_peak: 230, id: 1196, d: 5.35, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25 HD11 -   ASP23   HA    d: 9.22 +/- 0.10, weight: 0.0
      LEU25 HD12 -   ASP23   HA
      LEU25 HD13 -   ASP23   HA

      LEU25 HD11 -   ASP38   HA    d: 8.84 +/- 0.31, weight: 0.1
      LEU25 HD12 -   ASP38   HA
      LEU25 HD13 -   ASP38   HA

      ILE28 HD11 -   ASP23   HA    d: 9.69 +/- 0.23, weight: 0.0
      ILE28 HD12 -   ASP23   HA
      ILE28 HD13 -   ASP23   HA

      LEU36 HD11 -   VAL15   HA    d: 8.95 +/- 0.33, weight: 0.1
      LEU36 HD12 -   VAL15   HA
      LEU36 HD13 -   VAL15   HA

      LEU36 HD11 -   PRO18   HA    d: 9.47 +/- 0.56, weight: 0.0
      LEU36 HD12 -   PRO18   HA
      LEU36 HD13 -   PRO18   HA

      LEU36 HD11 -   ASP23   HA    d: 9.99 +/- 0.60, weight: 0.0
      LEU36 HD12 -   ASP23   HA
      LEU36 HD13 -   ASP23   HA

      LEU36 HD11 -   ASP38   HA    d: 9.33 +/- 0.37, weight: 0.0
      LEU36 HD12 -   ASP38   HA
      LEU36 HD13 -   ASP38   HA

      LEU36 HD11 -   VAL15   HA    d: 7.78 +/- 0.89, weight: 0.1
      LEU36 HD12 -   VAL15   HA
      LEU36 HD13 -   VAL15   HA

      LEU25 HD11 -   ASP23   HA    d: 9.22 +/- 0.10, weight: 0.0
      LEU25 HD12 -   ASP23   HA
      LEU25 HD13 -   ASP23   HA

      LEU25 HD11 -   ASP38   HA    d: 8.84 +/- 0.31, weight: 0.1
      LEU25 HD12 -   ASP38   HA
      LEU25 HD13 -   ASP38   HA

      ILE28 HD11 -   ASP23   HA    d: 9.69 +/- 0.23, weight: 0.0
      ILE28 HD12 -   ASP23   HA
      ILE28 HD13 -   ASP23   HA

      LEU36 HD11 -   VAL15   HA    d: 7.78 +/- 0.89, weight: 0.1
      LEU36 HD12 -   VAL15   HA
      LEU36 HD13 -   VAL15   HA

      LEU36 HD11 -   VAL15   HA    d: 8.95 +/- 0.33, weight: 0.1
      LEU36 HD12 -   VAL15   HA
      LEU36 HD13 -   VAL15   HA

      LEU36 HD11 -   PRO18   HA    d: 9.47 +/- 0.56, weight: 0.0
      LEU36 HD12 -   PRO18   HA
      LEU36 HD13 -   PRO18   HA

      LEU36 HD11 -   ASP23   HA    d: 10.00 +/- 0.60, weight: 0.0
      LEU36 HD12 -   ASP23   HA
      LEU36 HD13 -   ASP23   HA

      LEU36 HD11 -   ASP38   HA    d: 9.33 +/- 0.37, weight: 0.0
      LEU36 HD12 -   ASP38   HA
      LEU36 HD13 -   ASP38   HA

ref_spec: weit, ref_peak: 231, id: 1197, d: 2.67, u: 3.42, u_viol: 0.29, %_viol: 30.0, viol: no, reliable: no, a_type: A
       LEU7 HD11 -    LEU7   HA    d: 3.87 +/- 1.03, weight: 0.3
       LEU7 HD12 -    LEU7   HA
       LEU7 HD13 -    LEU7   HA

      LEU25 HD11 -   MET26   HA    d: 4.26 +/- 0.51, weight: 0.2
      LEU25 HD12 -   MET26   HA
      LEU25 HD13 -   MET26   HA

       LEU7 HD11 -    LEU7   HA    d: 3.87 +/- 1.03, weight: 0.3
       LEU7 HD12 -    LEU7   HA
       LEU7 HD13 -    LEU7   HA

      LEU25 HD11 -   MET26   HA    d: 4.26 +/- 0.51, weight: 0.2
      LEU25 HD12 -   MET26   HA
      LEU25 HD13 -   MET26   HA

ref_spec: weit, ref_peak: 232, id: 1198, d: 2.27, u: 3.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   ILE11   HB    d: 2.55 +/- 0.00, weight: 0.5
      ILE11 HG22 -   ILE11   HB
      ILE11 HG23 -   ILE11   HB

      ILE11 HG21 -   ILE11   HB    d: 2.55 +/- 0.00, weight: 0.5
      ILE11 HG22 -   ILE11   HB
      ILE11 HG23 -   ILE11   HB

ref_spec: weit, ref_peak: 233, id: 1199, d: 4.80, u: 7.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   TRP21  HZ2    d: 5.55 +/- 0.42, weight: 0.4
      LEU48 HD12 -   TRP21  HZ2
      LEU48 HD13 -   TRP21  HZ2

      LEU48 HD11 -   TRP21  HE3    d: 6.54 +/- 0.19, weight: 0.1
      LEU48 HD12 -   TRP21  HE3
      LEU48 HD13 -   TRP21  HE3

      LEU48 HD11 -   TRP21  HZ2    d: 5.54 +/- 0.41, weight: 0.4
      LEU48 HD12 -   TRP21  HZ2
      LEU48 HD13 -   TRP21  HZ2

ref_spec: weit, ref_peak: 234, id: 1200, d: 7.24, u: 8.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   ARG24   HA    d: 7.77 +/- 0.33, weight: 0.4
      LEU48 HD12 -   ARG24   HA
      LEU48 HD13 -   ARG24   HA

      LEU48 HD11 -   MET26   HA    d: 9.63 +/- 0.28, weight: 0.1
      LEU48 HD12 -   MET26   HA
      LEU48 HD13 -   MET26   HA

      LEU48 HD11 -   ARG24   HA    d: 7.78 +/- 0.33, weight: 0.4
      LEU48 HD12 -   ARG24   HA
      LEU48 HD13 -   ARG24   HA

ref_spec: eng, ref_peak: 1, id: 0, d: 2.52, u: 4.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   TRP21  HZ2    d: 2.83 +/- 0.01, weight: 0.5

      TRP21  HE1 -   TRP21  HZ2    d: 2.83 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 2, id: 1, d: 4.14, u: 4.11, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   TRP21  HH2    d: 4.95 +/- 0.01, weight: 0.2

      TRP21  HE1 -   TRP21    H    d: 4.78 +/- 0.14, weight: 0.3

      TRP21  HE1 -   TRP21  HH2    d: 4.95 +/- 0.01, weight: 0.2

      TRP21  HE1 -   TRP21    H    d: 4.77 +/- 0.14, weight: 0.3

ref_spec: eng, ref_peak: 3, id: 2, d: 5.25, u: 12.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   TRP21  HZ3    d: 5.86 +/- 0.00, weight: 0.5

      TRP21  HE1 -   TRP21  HZ3    d: 5.86 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 4, id: 3, d: 2.30, u: 3.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   TRP21  HD1    d: 2.58 +/- 0.00, weight: 0.5

      TRP21  HE1 -   TRP21  HD1    d: 2.58 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 5, id: 4, d: 4.15, u: 5.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   TRP21   HA    d: 4.89 +/- 0.06, weight: 0.5

      TRP21  HE1 -   TRP21   HA    d: 4.89 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 6, id: 5, d: 5.08, u: 6.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   GLU20  HB2    d: 4.20 +/- 0.26, weight: 0.5
      TRP21  HE1 -   GLU20  HB3

      TRP21  HE1 -   GLU20  HB2    d: 4.20 +/- 0.26, weight: 0.5
      TRP21  HE1 -   GLU20  HB3

ref_spec: eng, ref_peak: 7, id: 6, d: 4.65, u: 5.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   PRO18  HB3    d: 4.16 +/- 0.62, weight: 0.5

      TRP21  HE1 -   PRO18  HB3    d: 4.72 +/- 0.89, weight: 0.3

ref_spec: eng, ref_peak: 8, id: 7, d: 6.04, u: 6.00, u_viol: 0.05, %_viol: 15.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   ILE44 HG13    d: 6.43 +/- 0.11, weight: 0.5

      TRP21  HE1 -   ILE44 HG13    d: 6.43 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 9, id: 8, d: 6.59, u: 6.61, u_viol: 0.24, %_viol: 5.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   ILE44 HD11    d: 7.48 +/- 0.23, weight: 0.5
      TRP21  HE1 -   ILE44 HD12
      TRP21  HE1 -   ILE44 HD13

      TRP21  HE1 -   ILE44 HD11    d: 7.48 +/- 0.23, weight: 0.5
      TRP21  HE1 -   ILE44 HD12
      TRP21  HE1 -   ILE44 HD13

ref_spec: eng, ref_peak: 10, id: 9, d: 3.64, u: 5.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   PRO18  HG2    d: 3.22 +/- 0.48, weight: 0.5

      TRP21  HE1 -   PRO18  HG2    d: 3.27 +/- 0.49, weight: 0.5

ref_spec: eng, ref_peak: 11, id: 10, d: 4.21, u: 6.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20    H -   ASP23    H    d: 4.98 +/- 0.08, weight: 0.5

      GLU20    H -   ASP23    H    d: 4.98 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 12, id: 11, d: 3.88, u: 7.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20    H -   HIS22    H    d: 4.00 +/- 0.05, weight: 0.5

      GLU20    H -   HIS22    H    d: 4.00 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 13, id: 12, d: 4.42, u: 6.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20    H -   TRP21  HD1    d: 4.30 +/- 0.18, weight: 0.5

      GLU20    H -   TRP21  HD1    d: 4.30 +/- 0.18, weight: 0.5

ref_spec: eng, ref_peak: 14, id: 13, d: 2.48, u: 3.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20    H -   GLU20   HA    d: 2.77 +/- 0.01, weight: 0.5

      GLU20    H -   GLU20   HA    d: 2.77 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 15, id: 14, d: 4.16, u: 6.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20    H -   TRP21  HB3    d: 5.25 +/- 0.66, weight: 0.6

      GLU20    H -   TRP21  HB3    d: 5.44 +/- 0.72, weight: 0.4

ref_spec: eng, ref_peak: 16, id: 15, d: 2.32, u: 3.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   GLU20    H    d: 2.58 +/- 0.03, weight: 0.5

      GLN19    H -   GLU20    H    d: 2.58 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 17, id: 16, d: 3.54, u: 7.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   TRP21    H    d: 4.16 +/- 0.06, weight: 0.5

      GLN19    H -   TRP21    H    d: 4.16 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 18, id: 17, d: 4.63, u: 5.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   GLU20   HA    d: 5.16 +/- 0.03, weight: 0.5

      GLN19    H -   GLU20   HA    d: 5.16 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 19, id: 18, d: 5.26, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   GLY10  HA3    d: 5.34 +/- 0.18, weight: 0.5

      GLN19    H -   GLY10  HA3    d: 5.33 +/- 0.17, weight: 0.5

ref_spec: eng, ref_peak: 20, id: 19, d: 2.27, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   GLN19  HB3    d: 2.96 +/- 0.59, weight: 0.4

      GLN19    H -   GLN19  HB3    d: 2.87 +/- 0.58, weight: 0.5

ref_spec: eng, ref_peak: 21, id: 20, d: 4.21, u: 7.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   ILE11 HG12    d: 4.65 +/- 0.84, weight: 0.5

      GLN19    H -   ILE11 HG12    d: 4.57 +/- 0.73, weight: 0.5

ref_spec: eng, ref_peak: 22, id: 21, d: 2.22, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36    H -   THR35   HB    d: 2.51 +/- 0.27, weight: 0.5

      LEU36    H -   THR35   HB    d: 2.51 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 23, id: 22, d: 2.10, u: 3.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36    H -   THR35   HA    d: 2.41 +/- 0.03, weight: 0.5

      LEU36    H -   THR35   HA    d: 2.41 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 24, id: 23, d: 3.94, u: 4.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13    H -   LYS12    H    d: 4.38 +/- 0.05, weight: 0.5

      LEU13    H -   LYS12    H    d: 4.38 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 25, id: 24, d: 2.79, u: 4.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13    H -   VAL15    H    d: 2.69 +/- 0.70, weight: 0.5

      LEU13    H -   VAL15    H    d: 2.68 +/- 0.70, weight: 0.5

ref_spec: eng, ref_peak: 26, id: 25, d: 3.31, u: 3.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13    H -   TYR16   HA    d: 3.89 +/- 0.15, weight: 0.5

      LEU13    H -   TYR16   HA    d: 3.89 +/- 0.15, weight: 0.5

ref_spec: eng, ref_peak: 27, id: 26, d: 2.62, u: 3.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13    H -   LEU13   HA    d: 2.92 +/- 0.00, weight: 0.5

      LEU13    H -   LEU13   HA    d: 2.92 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 28, id: 27, d: 3.15, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13    H -   LEU13  HB3    d: 3.51 +/- 0.21, weight: 0.5

      LEU13    H -   LEU13  HB3    d: 3.45 +/- 0.29, weight: 0.5

ref_spec: eng, ref_peak: 29, id: 28, d: 2.13, u: 3.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13    H -   LEU13 HD21    d: 2.99 +/- 0.41, weight: 0.5
      LEU13    H -   LEU13 HD22
      LEU13    H -   LEU13 HD23

      LEU13    H -   LEU13 HD21    d: 2.99 +/- 0.41, weight: 0.5
      LEU13    H -   LEU13 HD22
      LEU13    H -   LEU13 HD23

ref_spec: eng, ref_peak: 30, id: 29, d: 4.65, u: 4.65, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -   GLN19    H    d: 4.89 +/- 0.35, weight: 0.5

      ILE11    H -   GLN19    H    d: 4.90 +/- 0.36, weight: 0.5

ref_spec: eng, ref_peak: 31, id: 30, d: 2.34, u: 5.08, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -   ILE17    H    d: 2.31 +/- 0.17, weight: 0.5

      ILE11    H -   ILE17    H    d: 2.31 +/- 0.17, weight: 0.5

ref_spec: eng, ref_peak: 32, id: 31, d: 3.67, u: 4.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -   GLY10    H    d: 4.05 +/- 0.16, weight: 0.5

      ILE11    H -   GLY10    H    d: 4.05 +/- 0.16, weight: 0.5

ref_spec: eng, ref_peak: 33, id: 32, d: 2.84, u: 5.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -   TYR16  HD1    d: 3.09 +/- 0.71, weight: 0.5
      ILE11    H -   TYR16  HD2

      ILE11    H -   TYR16  HD1    d: 3.08 +/- 0.71, weight: 0.5
      ILE11    H -   TYR16  HD2

ref_spec: eng, ref_peak: 34, id: 33, d: 4.21, u: 7.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -   TYR16  HE1    d: 4.96 +/- 0.81, weight: 0.5
      ILE11    H -   TYR16  HE2

      ILE11    H -   TYR16  HE1    d: 4.96 +/- 0.81, weight: 0.5
      ILE11    H -   TYR16  HE2

ref_spec: eng, ref_peak: 35, id: 34, d: 2.63, u: 3.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -   ILE11   HA    d: 2.92 +/- 0.01, weight: 0.5

      ILE11    H -   ILE11   HA    d: 2.92 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 36, id: 35, d: 3.48, u: 3.44, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11    H -   PRO18   HA    d: 3.87 +/- 0.13, weight: 0.5

      ILE11    H -   PRO18   HA    d: 3.87 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 37, id: 36, d: 3.56, u: 4.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   TRP21   HA    d: 4.43 +/- 0.10, weight: 0.5

      ASP23    H -   TRP21   HA    d: 4.44 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 38, id: 37, d: 3.10, u: 3.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   HIS22   HA    d: 3.53 +/- 0.01, weight: 0.5

      ASP23    H -   HIS22   HA    d: 3.53 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 39, id: 38, d: 2.85, u: 3.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   HIS22  HB3    d: 2.85 +/- 0.34, weight: 0.5

      ASP23    H -   HIS22  HB3    d: 2.90 +/- 0.34, weight: 0.5

ref_spec: eng, ref_peak: 40, id: 39, d: 4.27, u: 5.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   TRP21  HB3    d: 5.40 +/- 0.26, weight: 0.5

      ASP23    H -   TRP21  HB3    d: 5.46 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 41, id: 40, d: 2.26, u: 3.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   ASP23  HB3    d: 2.47 +/- 0.31, weight: 0.5

      ASP23    H -   ASP23  HB3    d: 2.47 +/- 0.31, weight: 0.5

ref_spec: eng, ref_peak: 42, id: 41, d: 5.12, u: 5.02, u_viol: 0.10, %_viol: 55.0, viol: no, reliable: no, a_type: A
      ASP23    H -   GLN19  HG2    d: 5.73 +/- 0.51, weight: 0.5

      ASP23    H -   GLN19  HG2    d: 5.88 +/- 0.53, weight: 0.5

ref_spec: eng, ref_peak: 43, id: 42, d: 4.70, u: 5.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   GLN19  HB3    d: 5.32 +/- 0.68, weight: 0.4

      ASP23    H -   GLN19  HB3    d: 5.22 +/- 0.72, weight: 0.4

ref_spec: eng, ref_peak: 44, id: 43, d: 4.31, u: 4.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   MET26  HB2    d: 5.25 +/- 0.04, weight: 0.3

      ASP23    H -   GLU20  HB2    d: 5.84 +/- 0.13, weight: 0.2
      ASP23    H -   GLU20  HB3

      ASP23    H -   MET26  HB2    d: 5.25 +/- 0.04, weight: 0.3

ref_spec: eng, ref_peak: 45, id: 44, d: 4.66, u: 5.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   GLN19  HB2    d: 5.19 +/- 0.71, weight: 0.5

      ASP23    H -   GLN19  HB2    d: 5.29 +/- 0.67, weight: 0.5

ref_spec: eng, ref_peak: 46, id: 45, d: 6.06, u: 6.00, u_viol: 0.06, %_viol: 5.0, viol: no, reliable: no, a_type: A
      ILE17    H -   GLN19    H    d: 6.50 +/- 0.10, weight: 0.5

      ILE17    H -   GLN19    H    d: 6.50 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 47, id: 46, d: 5.44, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   VAL15   HA    d: 5.89 +/- 0.19, weight: 0.5

      ILE17    H -   VAL15   HA    d: 5.89 +/- 0.19, weight: 0.5

ref_spec: eng, ref_peak: 48, id: 47, d: 3.20, u: 3.79, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   ILE17 HG21    d: 3.03 +/- 0.13, weight: 0.5
      ILE17    H -   ILE17 HG22
      ILE17    H -   ILE17 HG23

      ILE17    H -   ILE17 HG21    d: 3.03 +/- 0.13, weight: 0.5
      ILE17    H -   ILE17 HG22
      ILE17    H -   ILE17 HG23

ref_spec: eng, ref_peak: 49, id: 48, d: 4.33, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   ILE17 HD11    d: 4.70 +/- 0.13, weight: 0.5
      ILE17    H -   ILE17 HD12
      ILE17    H -   ILE17 HD13

      ILE17    H -   ILE17 HD11    d: 4.70 +/- 0.13, weight: 0.5
      ILE17    H -   ILE17 HD12
      ILE17    H -   ILE17 HD13

ref_spec: eng, ref_peak: 50, id: 49, d: 1.94, u: 3.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   TYR16   HA    d: 2.16 +/- 0.05, weight: 0.5

      ILE17    H -   TYR16   HA    d: 2.16 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 51, id: 50, d: 2.60, u: 3.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   ILE17   HA    d: 2.93 +/- 0.01, weight: 0.5

      ILE17    H -   ILE17   HA    d: 2.93 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 52, id: 51, d: 3.82, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   LYS12   HA    d: 3.96 +/- 0.26, weight: 0.5

      ILE17    H -   LYS12   HA    d: 3.96 +/- 0.26, weight: 0.5

ref_spec: eng, ref_peak: 53, id: 52, d: 3.57, u: 5.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   GLY10  HA2    d: 3.70 +/- 0.22, weight: 0.5

      ILE17    H -   GLY10  HA2    d: 3.70 +/- 0.19, weight: 0.5

ref_spec: eng, ref_peak: 54, id: 53, d: 3.28, u: 3.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   TYR16  HB3    d: 4.13 +/- 0.47, weight: 0.5

      ILE17    H -   TYR16  HB3    d: 4.05 +/- 0.45, weight: 0.5

ref_spec: eng, ref_peak: 55, id: 54, d: 3.41, u: 4.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   ILE17   HB    d: 3.90 +/- 0.04, weight: 0.4

      ILE17    H -   ILE17   HB    d: 3.90 +/- 0.04, weight: 0.4

ref_spec: eng, ref_peak: 56, id: 55, d: 3.95, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16    H -   ILE17    H    d: 4.32 +/- 0.05, weight: 0.5

      TYR16    H -   ILE17    H    d: 4.32 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 57, id: 56, d: 3.74, u: 4.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16    H -   TYR16  HD1    d: 4.19 +/- 0.38, weight: 0.5
      TYR16    H -   TYR16  HD2

      TYR16    H -   TYR16  HD1    d: 4.20 +/- 0.38, weight: 0.5
      TYR16    H -   TYR16  HD2

ref_spec: eng, ref_peak: 58, id: 57, d: 5.69, u: 7.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16    H -   TYR16  HE1    d: 6.36 +/- 0.23, weight: 0.5
      TYR16    H -   TYR16  HE2

      TYR16    H -   TYR16  HE1    d: 6.36 +/- 0.23, weight: 0.5
      TYR16    H -   TYR16  HE2

ref_spec: eng, ref_peak: 59, id: 58, d: 2.62, u: 3.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16    H -   TYR16   HA    d: 2.93 +/- 0.00, weight: 0.5

      TYR16    H -   TYR16   HA    d: 2.93 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 60, id: 59, d: 2.05, u: 2.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16    H -   VAL15   HA    d: 2.27 +/- 0.06, weight: 0.5

      TYR16    H -   VAL15   HA    d: 2.27 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 61, id: 60, d: 2.35, u: 4.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3    H -    ARG3   HA    d: 2.77 +/- 0.28, weight: 0.5

       ARG3    H -    ARG3   HA    d: 2.77 +/- 0.28, weight: 0.5

ref_spec: eng, ref_peak: 62, id: 61, d: 2.38, u: 3.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3    H -    GLY2  HA2    d: 2.73 +/- 0.31, weight: 0.5
       ARG3    H -    GLY2  HA3

       ARG3    H -    GLY2  HA2    d: 2.73 +/- 0.31, weight: 0.5
       ARG3    H -    GLY2  HA3

ref_spec: eng, ref_peak: 63, id: 62, d: 2.24, u: 2.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16    H -   VAL15 HG11    d: 3.03 +/- 0.74, weight: 0.5
      TYR16    H -   VAL15 HG12
      TYR16    H -   VAL15 HG13

      TYR16    H -   VAL15 HG11    d: 3.03 +/- 0.74, weight: 0.5
      TYR16    H -   VAL15 HG12
      TYR16    H -   VAL15 HG13

ref_spec: eng, ref_peak: 64, id: 63, d: 2.47, u: 3.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37    H -   LEU36    H    d: 2.67 +/- 0.03, weight: 0.5

      SER37    H -   LEU36    H    d: 2.67 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 65, id: 64, d: 2.56, u: 6.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35    H -   THR35   HB    d: 3.69 +/- 0.14, weight: 0.1

      SER37    H -   THR35   HB    d: 2.96 +/- 0.34, weight: 0.4

      SER37    H -   THR35   HB    d: 2.96 +/- 0.34, weight: 0.4

ref_spec: eng, ref_peak: 66, id: 65, d: 2.59, u: 3.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      THR35    H -   THR35   HA    d: 2.94 +/- 0.00, weight: 0.5

      THR35    H -   THR35   HA    d: 2.94 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 67, id: 66, d: 2.48, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37    H -   SER37   HA    d: 2.78 +/- 0.01, weight: 0.5

      SER37    H -   SER37   HA    d: 2.78 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 68, id: 67, d: 3.11, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37    H -   LEU36   HA    d: 3.51 +/- 0.01, weight: 0.5

      SER37    H -   LEU36   HA    d: 3.51 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 69, id: 68, d: 3.39, u: 3.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37    H -   LEU36  HB2    d: 3.82 +/- 0.11, weight: 0.5

      SER37    H -   LEU36  HB2    d: 3.80 +/- 0.14, weight: 0.5

ref_spec: eng, ref_peak: 70, id: 69, d: 2.36, u: 3.23, u_viol: 0.44, %_viol: 10.0, viol: no, reliable: no, a_type: A
      SER37    H -   LEU36 HD21    d: 2.32 +/- 0.49, weight: 0.5
      SER37    H -   LEU36 HD22
      SER37    H -   LEU36 HD23

      SER37    H -   LEU36 HD21    d: 2.32 +/- 0.49, weight: 0.5
      SER37    H -   LEU36 HD22
      SER37    H -   LEU36 HD23

ref_spec: eng, ref_peak: 71, id: 70, d: 3.90, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14    H -   LEU13    H    d: 4.43 +/- 0.03, weight: 0.5

      GLY14    H -   LEU13    H    d: 4.43 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 72, id: 71, d: 2.32, u: 3.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14    H -   GLY14  HA3    d: 2.86 +/- 0.20, weight: 0.3

      LEU34    H -   LEU34   HA    d: 2.93 +/- 0.00, weight: 0.2

      GLY14    H -   GLY14  HA3    d: 2.86 +/- 0.20, weight: 0.3

      LEU34    H -   LEU34   HA    d: 2.93 +/- 0.00, weight: 0.2

ref_spec: eng, ref_peak: 73, id: 72, d: 5.05, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14    H -   LEU13 HD21    d: 5.66 +/- 0.48, weight: 0.5
      GLY14    H -   LEU13 HD22
      GLY14    H -   LEU13 HD23

      GLY14    H -   LEU13 HD21    d: 5.66 +/- 0.48, weight: 0.5
      GLY14    H -   LEU13 HD22
      GLY14    H -   LEU13 HD23

ref_spec: eng, ref_peak: 74, id: 73, d: 2.62, u: 3.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34    H -   LEU34   HA    d: 2.93 +/- 0.00, weight: 0.5

      LEU34    H -   LEU34   HA    d: 2.93 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 75, id: 74, d: 3.79, u: 4.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34    H -   LYS30   HA    d: 4.07 +/- 0.04, weight: 0.5

      LEU34    H -   LYS30   HA    d: 4.07 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 76, id: 75, d: 3.77, u: 4.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34    H -   ASN33  HB3    d: 4.14 +/- 0.07, weight: 0.5

      LEU34    H -   ASN33  HB3    d: 4.14 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 77, id: 76, d: 2.44, u: 3.19, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34    H -   LEU34  HB3    d: 2.86 +/- 0.49, weight: 0.7

      LEU34    H -   LEU34  HB3    d: 3.40 +/- 0.50, weight: 0.3

ref_spec: eng, ref_peak: 78, id: 77, d: 2.73, u: 2.80, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34    H -   LEU34   HG    d: 2.57 +/- 0.04, weight: 0.5

      LEU34    H -   LEU34   HG    d: 2.58 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 79, id: 78, d: 2.39, u: 2.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34    H -   LEU34  HB2    d: 3.39 +/- 0.50, weight: 0.3

      LEU34    H -   LEU34  HB2    d: 2.86 +/- 0.49, weight: 0.7

ref_spec: eng, ref_peak: 80, id: 79, d: 4.25, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34    H -   LEU34 HD21    d: 4.16 +/- 0.05, weight: 0.5
      LEU34    H -   LEU34 HD22
      LEU34    H -   LEU34 HD23

      LEU34    H -   LEU34 HD21    d: 4.17 +/- 0.04, weight: 0.5
      LEU34    H -   LEU34 HD22
      LEU34    H -   LEU34 HD23

ref_spec: eng, ref_peak: 81, id: 80, d: 4.16, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34    H -   LEU34 HD11    d: 4.59 +/- 0.04, weight: 0.5
      LEU34    H -   LEU34 HD12
      LEU34    H -   LEU34 HD13

      LEU34    H -   LEU34 HD11    d: 4.60 +/- 0.04, weight: 0.5
      LEU34    H -   LEU34 HD12
      LEU34    H -   LEU34 HD13

ref_spec: eng, ref_peak: 82, id: 81, d: 2.28, u: 4.82, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49    H -   LEU48    H    d: 2.44 +/- 0.03, weight: 0.5

      ASP49    H -   LEU48    H    d: 2.44 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 83, id: 82, d: 2.36, u: 3.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49    H -   ASP49  HB2    d: 2.81 +/- 0.13, weight: 0.5

      ASP49    H -   ASP49  HB2    d: 2.81 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 84, id: 83, d: 4.89, u: 5.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49    H -   GLU46  HB2    d: 5.22 +/- 0.06, weight: 0.5
      ASP49    H -   GLU46  HB3

      ASP49    H -   GLU46  HB2    d: 5.22 +/- 0.06, weight: 0.5
      ASP49    H -   GLU46  HB3

ref_spec: eng, ref_peak: 85, id: 84, d: 2.51, u: 2.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49    H -   LEU48  HB3    d: 3.31 +/- 0.57, weight: 0.6

      ASP49    H -   LEU48  HB3    d: 3.45 +/- 0.57, weight: 0.4

ref_spec: eng, ref_peak: 86, id: 85, d: 4.84, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49    H -   LEU48 HD21    d: 5.39 +/- 0.05, weight: 0.5
      ASP49    H -   LEU48 HD22
      ASP49    H -   LEU48 HD23

      ASP49    H -   LEU48 HD21    d: 5.40 +/- 0.05, weight: 0.5
      ASP49    H -   LEU48 HD22
      ASP49    H -   LEU48 HD23

ref_spec: eng, ref_peak: 87, id: 86, d: 4.72, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49    H -   LEU48 HD11    d: 5.57 +/- 0.07, weight: 0.5
      ASP49    H -   LEU48 HD12
      ASP49    H -   LEU48 HD13

      ASP49    H -   LEU48 HD11    d: 5.57 +/- 0.08, weight: 0.5
      ASP49    H -   LEU48 HD12
      ASP49    H -   LEU48 HD13

ref_spec: eng, ref_peak: 88, id: 87, d: 2.33, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   LYS30    H    d: 2.64 +/- 0.01, weight: 0.5

      ALA29    H -   LYS30    H    d: 2.65 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 89, id: 88, d: 3.26, u: 5.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   GLU27    H    d: 3.84 +/- 0.03, weight: 0.5

      ALA29    H -   GLU27    H    d: 3.84 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 90, id: 89, d: 2.93, u: 3.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   MET26   HA    d: 2.85 +/- 0.04, weight: 0.5

      ALA29    H -   MET26   HA    d: 2.85 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 91, id: 90, d: 3.51, u: 3.51, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   GLU27   HA    d: 4.19 +/- 0.02, weight: 0.4

      ALA29    H -   LYS30   HA    d: 5.25 +/- 0.01, weight: 0.1

      ALA29    H -   GLU27   HA    d: 4.19 +/- 0.02, weight: 0.4

ref_spec: eng, ref_peak: 92, id: 91, d: 3.08, u: 3.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   ILE28   HA    d: 3.48 +/- 0.01, weight: 0.5

      ALA29    H -   ILE28   HA    d: 3.48 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 93, id: 92, d: 5.16, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   MET26  HG3    d: 5.85 +/- 0.19, weight: 0.4

      ALA29    H -   MET26  HG3    d: 5.88 +/- 0.26, weight: 0.4

      ALA29    H -   GLU31  HG2    d: 6.92 +/- 1.02, weight: 0.1
      ALA29    H -   GLU31  HG3

ref_spec: eng, ref_peak: 94, id: 93, d: 3.99, u: 4.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   GLU27  HB3    d: 5.14 +/- 0.41, weight: 0.3

      ALA29    H -   GLU31  HB3    d: 5.73 +/- 0.59, weight: 0.2

      ALA29    H -   GLU27  HB3    d: 5.13 +/- 0.43, weight: 0.3

ref_spec: eng, ref_peak: 95, id: 94, d: 2.37, u: 2.75, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   ALA29  HB1    d: 2.54 +/- 0.02, weight: 0.5
      ALA29    H -   ALA29  HB2
      ALA29    H -   ALA29  HB3

      ALA29    H -   ALA29  HB1    d: 2.54 +/- 0.02, weight: 0.5
      ALA29    H -   ALA29  HB2
      ALA29    H -   ALA29  HB3

ref_spec: eng, ref_peak: 96, id: 95, d: 3.77, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   ILE28 HG12    d: 3.69 +/- 0.45, weight: 0.5

      ALA29    H -   ILE28 HG12    d: 3.69 +/- 0.45, weight: 0.5

ref_spec: eng, ref_peak: 97, id: 96, d: 1.91, u: 2.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15    H -   GLY14  HA3    d: 2.31 +/- 0.26, weight: 0.5

      VAL15    H -   GLY14  HA3    d: 2.31 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 98, id: 97, d: 4.23, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15    H -   LEU13   HA    d: 4.41 +/- 0.14, weight: 0.4

      VAL15    H -   LEU13   HA    d: 4.41 +/- 0.14, weight: 0.4

ref_spec: eng, ref_peak: 99, id: 98, d: 2.48, u: 2.85, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15    H -   VAL15   HB    d: 3.01 +/- 0.27, weight: 0.5

      VAL15    H -   VAL15   HB    d: 3.02 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 100, id: 99, d: 5.63, u: 6.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   LEU42    H    d: 6.22 +/- 0.09, weight: 0.5

      GLU46    H -   LEU42    H    d: 6.22 +/- 0.09, weight: 0.5

ref_spec: eng, ref_peak: 101, id: 100, d: 4.15, u: 5.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   TYR47  HD1    d: 5.01 +/- 0.23, weight: 0.4
      GLU46    H -   TYR47  HD2

      GLU46    H -   TYR47  HD1    d: 5.01 +/- 0.23, weight: 0.4
      GLU46    H -   TYR47  HD2

ref_spec: eng, ref_peak: 102, id: 101, d: 4.31, u: 4.25, u_viol: 0.06, %_viol: 5.0, viol: no, reliable: no, a_type: A
      GLU46    H -   TYR47   HA    d: 4.98 +/- 0.02, weight: 0.4

      GLU46    H -   TYR47   HA    d: 4.97 +/- 0.02, weight: 0.4

ref_spec: eng, ref_peak: 103, id: 102, d: 2.54, u: 3.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   GLU46   HA    d: 2.85 +/- 0.01, weight: 0.5

      GLU46    H -   GLU46   HA    d: 2.85 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 104, id: 103, d: 3.09, u: 4.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   ALA43   HA    d: 3.32 +/- 0.06, weight: 0.5

      GLU46    H -   ALA43   HA    d: 3.31 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 105, id: 104, d: 3.83, u: 4.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   ILE44   HA    d: 3.96 +/- 0.06, weight: 0.5

      GLU46    H -   ILE44   HA    d: 3.96 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 106, id: 105, d: 3.16, u: 3.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   LYS45   HA    d: 3.48 +/- 0.01, weight: 0.5

      GLU46    H -   LYS45   HA    d: 3.48 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 107, id: 106, d: 3.82, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   GLU46  HG3    d: 4.28 +/- 0.31, weight: 0.2

      GLU46    H -   ASP49  HB3    d: 4.32 +/- 0.13, weight: 0.2

      GLU46    H -   GLU46  HG3    d: 4.25 +/- 0.34, weight: 0.3

      GLU46    H -   ASP49  HB3    d: 4.33 +/- 0.17, weight: 0.2

ref_spec: eng, ref_peak: 108, id: 107, d: 4.66, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   ILE44   HB    d: 5.02 +/- 0.03, weight: 0.5

      GLU46    H -   ILE44   HB    d: 5.02 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 109, id: 108, d: 3.56, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   LYS45  HG2    d: 4.24 +/- 0.06, weight: 0.5
      GLU46    H -   LYS45  HG3

      GLU46    H -   LYS45  HG2    d: 4.24 +/- 0.06, weight: 0.5
      GLU46    H -   LYS45  HG3

ref_spec: eng, ref_peak: 110, id: 109, d: 4.46, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46    H -   ALA43  HB1    d: 5.32 +/- 0.06, weight: 0.2
      GLU46    H -   ALA43  HB2
      GLU46    H -   ALA43  HB3

      GLU46    H -   ALA43  HB1    d: 5.23 +/- 0.06, weight: 0.3
      GLU46    H -   ALA43  HB2
      GLU46    H -   ALA43  HB3

      GLU46    H -   ALA43  HB1    d: 5.23 +/- 0.06, weight: 0.3
      GLU46    H -   ALA43  HB2
      GLU46    H -   ALA43  HB3

      GLU46    H -   ALA43  HB1    d: 5.32 +/- 0.06, weight: 0.2
      GLU46    H -   ALA43  HB2
      GLU46    H -   ALA43  HB3

ref_spec: eng, ref_peak: 111, id: 110, d: 4.23, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   SER37    H    d: 4.77 +/- 0.06, weight: 0.4

      CYS40    H -   SER37    H    d: 4.77 +/- 0.06, weight: 0.4

ref_spec: eng, ref_peak: 112, id: 111, d: 3.53, u: 3.68, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   LEU42    H    d: 4.05 +/- 0.11, weight: 0.5

      CYS40    H -   LEU42    H    d: 4.05 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 113, id: 112, d: 3.96, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   ALA43    H    d: 4.32 +/- 0.03, weight: 0.5

      CYS40    H -   ALA43    H    d: 4.33 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 114, id: 113, d: 3.21, u: 3.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   SER37   HA    d: 3.61 +/- 0.09, weight: 0.5

      CYS40    H -   SER37   HA    d: 3.61 +/- 0.09, weight: 0.5

ref_spec: eng, ref_peak: 115, id: 114, d: 3.70, u: 4.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   LEU36   HA    d: 4.08 +/- 0.08, weight: 0.5

      CYS40    H -   LEU36   HA    d: 4.08 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 116, id: 115, d: 2.52, u: 3.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   CYS40   HA    d: 2.84 +/- 0.00, weight: 0.5

      CYS40    H -   CYS40   HA    d: 2.84 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 117, id: 116, d: 4.57, u: 5.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   ASP38  HB3    d: 5.15 +/- 0.11, weight: 0.4

      CYS40    H -   ARG41  HD2    d: 6.56 +/- 0.61, weight: 0.1

      CYS40    H -   ASP38  HB3    d: 5.15 +/- 0.11, weight: 0.4

ref_spec: eng, ref_peak: 118, id: 117, d: 4.84, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   LEU36   HG    d: 5.13 +/- 0.15, weight: 0.5

      CYS40    H -   LEU36   HG    d: 5.13 +/- 0.15, weight: 0.5

ref_spec: eng, ref_peak: 119, id: 118, d: 4.06, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   VAL39 HG21    d: 4.60 +/- 0.05, weight: 0.5
      CYS40    H -   VAL39 HG22
      CYS40    H -   VAL39 HG23

      CYS40    H -   VAL39 HG21    d: 4.60 +/- 0.05, weight: 0.5
      CYS40    H -   VAL39 HG22
      CYS40    H -   VAL39 HG23

ref_spec: eng, ref_peak: 120, id: 119, d: 3.88, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   VAL39 HG11    d: 4.54 +/- 0.07, weight: 0.5
      CYS40    H -   VAL39 HG12
      CYS40    H -   VAL39 HG13

      CYS40    H -   VAL39 HG11    d: 4.54 +/- 0.07, weight: 0.5
      CYS40    H -   VAL39 HG12
      CYS40    H -   VAL39 HG13

ref_spec: eng, ref_peak: 121, id: 120, d: 3.66, u: 3.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   ILE44 HD11    d: 3.92 +/- 0.17, weight: 0.5
      CYS40    H -   ILE44 HD12
      CYS40    H -   ILE44 HD13

      CYS40    H -   ILE44 HD11    d: 3.92 +/- 0.17, weight: 0.5
      CYS40    H -   ILE44 HD12
      CYS40    H -   ILE44 HD13

ref_spec: eng, ref_peak: 122, id: 121, d: 5.50, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40    H -   LEU25 HD11    d: 5.38 +/- 0.28, weight: 0.5
      CYS40    H -   LEU25 HD12
      CYS40    H -   LEU25 HD13

      CYS40    H -   LEU25 HD11    d: 5.38 +/- 0.28, weight: 0.5
      CYS40    H -   LEU25 HD12
      CYS40    H -   LEU25 HD13

ref_spec: eng, ref_peak: 123, id: 122, d: 2.72, u: 3.21, u_viol: 0.12, %_viol: 5.0, viol: no, reliable: no, a_type: A
      GLN54    H -   GLN54  HG2    d: 3.00 +/- 0.48, weight: 0.5
      GLN54    H -   GLN54  HG3

      GLN54    H -   GLN54  HG2    d: 3.00 +/- 0.48, weight: 0.5
      GLN54    H -   GLN54  HG3

ref_spec: eng, ref_peak: 124, id: 123, d: 2.44, u: 3.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41    H -   ARG41   HA    d: 2.74 +/- 0.03, weight: 0.5

      ARG41    H -   ARG41   HA    d: 2.74 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 125, id: 124, d: 3.16, u: 4.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41    H -   CYS40   HA    d: 3.56 +/- 0.02, weight: 0.5

      ARG41    H -   CYS40   HA    d: 3.56 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 126, id: 125, d: 4.60, u: 5.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41    H -   VAL39   HA    d: 5.04 +/- 0.16, weight: 0.5

      ARG41    H -   VAL39   HA    d: 5.04 +/- 0.16, weight: 0.5

ref_spec: eng, ref_peak: 127, id: 126, d: 2.96, u: 3.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41    H -   CYS40  HB3    d: 3.27 +/- 0.31, weight: 0.5

      ARG41    H -   CYS40  HB3    d: 3.30 +/- 0.20, weight: 0.5

ref_spec: eng, ref_peak: 128, id: 127, d: 1.92, u: 3.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41    H -   CYS40  HB2    d: 2.32 +/- 0.59, weight: 0.5

      ARG41    H -   CYS40  HB2    d: 2.29 +/- 0.59, weight: 0.5

ref_spec: eng, ref_peak: 129, id: 128, d: 2.93, u: 3.34, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS55    H -   GLN54  HB3    d: 3.60 +/- 0.58, weight: 0.4

      LYS55    H -   GLN54  HB3    d: 3.47 +/- 0.66, weight: 0.6

ref_spec: eng, ref_peak: 130, id: 129, d: 4.22, u: 4.14, u_viol: 0.09, %_viol: 30.0, viol: no, reliable: no, a_type: A
      ARG41    H -   ALA43  HB1    d: 5.33 +/- 0.06, weight: 0.2
      ARG41    H -   ALA43  HB2
      ARG41    H -   ALA43  HB3

      ARG41    H -   ILE17 HG21    d: 4.78 +/- 0.14, weight: 0.3
      ARG41    H -   ILE17 HG22
      ARG41    H -   ILE17 HG23

      ARG41    H -   ILE17 HG21    d: 4.78 +/- 0.14, weight: 0.3
      ARG41    H -   ILE17 HG22
      ARG41    H -   ILE17 HG23

      ARG41    H -   ALA43  HB1    d: 5.33 +/- 0.06, weight: 0.2
      ARG41    H -   ALA43  HB2
      ARG41    H -   ALA43  HB3

ref_spec: eng, ref_peak: 131, id: 130, d: 5.02, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41    H -   ILE44 HG21    d: 6.77 +/- 0.39, weight: 0.2
      ARG41    H -   ILE44 HG22
      ARG41    H -   ILE44 HG23

      ARG41    H -   ILE44 HG21    d: 6.76 +/- 0.39, weight: 0.2
      ARG41    H -   ILE44 HG22
      ARG41    H -   ILE44 HG23

      ARG41    H -   LEU36 HD21    d: 8.56 +/- 0.20, weight: 0.0
      ARG41    H -   LEU36 HD22
      ARG41    H -   LEU36 HD23

      ARG41    H -   LEU42 HD11    d: 6.59 +/- 0.42, weight: 0.2
      ARG41    H -   LEU42 HD12
      ARG41    H -   LEU42 HD13

      ARG41    H -   ILE44 HG21    d: 7.84 +/- 0.19, weight: 0.1
      ARG41    H -   ILE44 HG22
      ARG41    H -   ILE44 HG23

      ARG41    H -   LEU42 HD11    d: 6.59 +/- 0.42, weight: 0.2
      ARG41    H -   LEU42 HD12
      ARG41    H -   LEU42 HD13

      ARG41    H -   ILE44 HG21    d: 7.84 +/- 0.19, weight: 0.1
      ARG41    H -   ILE44 HG22
      ARG41    H -   ILE44 HG23

ref_spec: eng, ref_peak: 132, id: 131, d: 4.08, u: 5.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5    H -    PRO4  HD2    d: 4.08 +/- 1.13, weight: 0.6

       TYR5    H -    PRO4  HD2    d: 4.26 +/- 1.11, weight: 0.4

ref_spec: eng, ref_peak: 133, id: 132, d: 2.92, u: 5.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5    H -    PRO4  HB3    d: 3.46 +/- 0.78, weight: 0.5

       TYR5    H -    PRO4  HB3    d: 3.58 +/- 0.73, weight: 0.5

ref_spec: eng, ref_peak: 134, id: 133, d: 2.74, u: 4.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5    H -    PRO4  HB2    d: 3.29 +/- 0.85, weight: 0.4

       TYR5    H -    PRO4  HB2    d: 3.18 +/- 0.86, weight: 0.6

ref_spec: eng, ref_peak: 135, id: 134, d: 3.85, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6    H -    TYR5  HD1    d: 4.21 +/- 0.52, weight: 0.5
       LYS6    H -    TYR5  HD2

       LYS6    H -    TYR5  HD1    d: 4.21 +/- 0.52, weight: 0.5
       LYS6    H -    TYR5  HD2

ref_spec: eng, ref_peak: 136, id: 135, d: 4.42, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31    H -   ILE28    H    d: 4.80 +/- 0.02, weight: 0.5

      GLU31    H -   ILE28    H    d: 4.80 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 137, id: 136, d: 2.50, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31    H -   GLU31   HA    d: 2.81 +/- 0.00, weight: 0.5

      GLU31    H -   GLU31   HA    d: 2.81 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 138, id: 137, d: 4.90, u: 6.00, u_viol: 0.52, %_viol: 10.0, viol: no, reliable: no, a_type: A
      GLU31    H -   GLU27  HG2    d: 5.04 +/- 0.12, weight: 0.5
      GLU31    H -   GLU27  HG3

      GLU31    H -   GLU27  HG2    d: 5.04 +/- 0.12, weight: 0.5
      GLU31    H -   GLU27  HG3

ref_spec: eng, ref_peak: 139, id: 138, d: 2.48, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26    H -   MET26   HA    d: 2.84 +/- 0.01, weight: 0.5

      MET26    H -   MET26   HA    d: 2.84 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 140, id: 139, d: 2.95, u: 3.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP52    H -   HIS51  HB3    d: 2.64 +/- 0.12, weight: 0.5

      ASP52    H -   HIS51  HB3    d: 2.64 +/- 0.12, weight: 0.5

ref_spec: eng, ref_peak: 141, id: 140, d: 2.97, u: 3.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44    H -   ARG41   HA    d: 3.33 +/- 0.18, weight: 0.5

      ILE44    H -   ARG41   HA    d: 3.33 +/- 0.18, weight: 0.5

ref_spec: eng, ref_peak: 142, id: 141, d: 4.46, u: 4.38, u_viol: 0.08, %_viol: 45.0, viol: no, reliable: no, a_type: A
      ILE44    H -   LYS45   HA    d: 5.08 +/- 0.02, weight: 0.4

      ILE44    H -   LYS45   HA    d: 5.08 +/- 0.02, weight: 0.4

ref_spec: eng, ref_peak: 143, id: 142, d: 3.36, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26    H -   LEU25   HG    d: 4.93 +/- 0.07, weight: 0.1

      MET26    H -   ILE28 HG12    d: 5.13 +/- 0.60, weight: 0.1

      ILE44    H -   ILE44 HG21    d: 4.25 +/- 0.12, weight: 0.3
      ILE44    H -   ILE44 HG22
      ILE44    H -   ILE44 HG23

      MET26    H -   LEU25   HG    d: 4.93 +/- 0.07, weight: 0.1

      MET26    H -   ILE28 HG12    d: 5.13 +/- 0.64, weight: 0.1

      ILE44    H -   ILE44 HG21    d: 4.25 +/- 0.12, weight: 0.3
      ILE44    H -   ILE44 HG22
      ILE44    H -   ILE44 HG23

ref_spec: eng, ref_peak: 144, id: 143, d: 3.74, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44    H -   ILE44 HD11    d: 4.21 +/- 0.30, weight: 0.5
      ILE44    H -   ILE44 HD12
      ILE44    H -   ILE44 HD13

      ILE44    H -   ILE44 HD11    d: 4.21 +/- 0.30, weight: 0.5
      ILE44    H -   ILE44 HD12
      ILE44    H -   ILE44 HD13

ref_spec: eng, ref_peak: 145, id: 144, d: 4.58, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26    H -   LEU25 HD11    d: 4.49 +/- 0.25, weight: 0.4
      MET26    H -   LEU25 HD12
      MET26    H -   LEU25 HD13

      MET26    H -   LEU25 HD11    d: 4.49 +/- 0.25, weight: 0.4
      MET26    H -   LEU25 HD12
      MET26    H -   LEU25 HD13

ref_spec: eng, ref_peak: 146, id: 145, d: 2.49, u: 2.56, u_viol: 0.20, %_viol: 5.0, viol: no, reliable: no, a_type: A
      LYS32    H -   LYS32  HD2    d: 2.69 +/- 0.24, weight: 0.5
      LYS32    H -   LYS32  HD3

      LYS32    H -   LYS32  HD2    d: 2.69 +/- 0.24, weight: 0.5
      LYS32    H -   LYS32  HD3

ref_spec: eng, ref_peak: 147, id: 146, d: 2.25, u: 2.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32    H -   LYS32  HB2    d: 3.07 +/- 0.62, weight: 0.4

      LYS32    H -   LYS32  HB2    d: 2.95 +/- 0.63, weight: 0.5

ref_spec: eng, ref_peak: 148, id: 147, d: 5.04, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS56    H -   GLN54    H    d: 2.85 +/- 0.23, weight: 0.5

      LYS56    H -   GLN54    H    d: 2.85 +/- 0.23, weight: 0.5

ref_spec: eng, ref_peak: 149, id: 148, d: 2.51, u: 3.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39    H -   VAL39   HA    d: 2.80 +/- 0.02, weight: 0.5

      VAL39    H -   VAL39   HA    d: 2.80 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 150, id: 149, d: 2.33, u: 2.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39    H -   VAL39   HB    d: 2.68 +/- 0.04, weight: 0.5

      VAL39    H -   VAL39   HB    d: 2.68 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 151, id: 150, d: 2.09, u: 2.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39    H -   VAL39 HG21    d: 2.26 +/- 0.07, weight: 0.5
      VAL39    H -   VAL39 HG22
      VAL39    H -   VAL39 HG23

      VAL39    H -   VAL39 HG21    d: 2.26 +/- 0.07, weight: 0.5
      VAL39    H -   VAL39 HG22
      VAL39    H -   VAL39 HG23

ref_spec: eng, ref_peak: 152, id: 151, d: 4.02, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39    H -   VAL39 HG11    d: 4.52 +/- 0.01, weight: 0.5
      VAL39    H -   VAL39 HG12
      VAL39    H -   VAL39 HG13

      VAL39    H -   VAL39 HG11    d: 4.52 +/- 0.01, weight: 0.5
      VAL39    H -   VAL39 HG12
      VAL39    H -   VAL39 HG13

ref_spec: eng, ref_peak: 153, id: 152, d: 2.39, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22    H -   ASP23    H    d: 2.90 +/- 0.04, weight: 0.5

      HIS22    H -   ASP23    H    d: 2.90 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 154, id: 153, d: 3.49, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30    H -   ILE28    H    d: 3.85 +/- 0.03, weight: 0.4

      LYS30    H -   ILE28    H    d: 3.84 +/- 0.03, weight: 0.4

      VAL39    H -   LEU42    H    d: 4.84 +/- 0.05, weight: 0.1

ref_spec: eng, ref_peak: 155, id: 154, d: 2.25, u: 3.79, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22    H -   TRP21    H    d: 2.31 +/- 0.03, weight: 0.5

      HIS22    H -   TRP21    H    d: 2.31 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 156, id: 155, d: 3.18, u: 3.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22    H -   TRP21   HA    d: 3.54 +/- 0.01, weight: 0.5

      HIS22    H -   TRP21   HA    d: 3.54 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 157, id: 156, d: 2.48, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22    H -   HIS22   HA    d: 2.76 +/- 0.01, weight: 0.5

      HIS22    H -   HIS22   HA    d: 2.76 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 158, id: 157, d: 2.21, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22    H -   GLN19   HA    d: 2.68 +/- 0.07, weight: 0.4

      HIS22    H -   HIS22  HB3    d: 3.00 +/- 0.67, weight: 0.2

      HIS22    H -   GLN19   HA    d: 2.68 +/- 0.07, weight: 0.4

ref_spec: eng, ref_peak: 159, id: 158, d: 4.64, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38    H -   ARG41    H    d: 5.13 +/- 0.11, weight: 0.5

      ASP38    H -   ARG41    H    d: 5.13 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 160, id: 159, d: 3.83, u: 4.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38    H -   LEU36    H    d: 4.03 +/- 0.07, weight: 0.5

      ASP38    H -   LEU36    H    d: 4.03 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 161, id: 160, d: 2.96, u: 3.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38    H -   ASP38  HB3    d: 3.43 +/- 0.02, weight: 0.5

      ASP38    H -   ASP38  HB3    d: 3.43 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 162, id: 161, d: 2.33, u: 2.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33    H -   LEU34    H    d: 2.63 +/- 0.03, weight: 0.5

      ASN33    H -   LEU34    H    d: 2.62 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 163, id: 162, d: 2.39, u: 2.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU7    H -    LEU7   HA    d: 2.62 +/- 0.32, weight: 0.5

       LEU7    H -    LEU7   HA    d: 2.62 +/- 0.32, weight: 0.5

ref_spec: eng, ref_peak: 164, id: 163, d: 4.54, u: 4.80, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU7    H -    PRO4  HD2    d: 4.84 +/- 0.79, weight: 0.6

       LEU7    H -    PRO4  HD2    d: 5.23 +/- 0.85, weight: 0.4

ref_spec: eng, ref_peak: 165, id: 164, d: 3.27, u: 3.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33    H -   ASN33  HB3    d: 3.64 +/- 0.13, weight: 0.5

      ASN33    H -   ASN33  HB3    d: 3.64 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 166, id: 165, d: 2.85, u: 3.23, u_viol: 0.35, %_viol: 40.0, viol: no, reliable: no, a_type: A
       LEU7    H -    LYS6  HB2    d: 3.34 +/- 0.96, weight: 0.4
       LEU7    H -    LYS6  HB3

       LEU7    H -    LYS6  HB2    d: 3.34 +/- 0.96, weight: 0.4
       LEU7    H -    LYS6  HB3

      ASN33    H -   LEU34   HG    d: 4.09 +/- 0.05, weight: 0.1

ref_spec: eng, ref_peak: 167, id: 166, d: 3.35, u: 3.62, u_viol: 0.05, %_viol: 10.0, viol: no, reliable: no, a_type: A
       LEU7    H -    LYS6  HG3    d: 4.04 +/- 0.36, weight: 0.5

       LEU7    H -    LYS6  HG3    d: 4.09 +/- 0.51, weight: 0.5

ref_spec: eng, ref_peak: 168, id: 167, d: 4.24, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU7    H -    LEU7 HD21    d: 4.28 +/- 1.01, weight: 0.5
       LEU7    H -    LEU7 HD22
       LEU7    H -    LEU7 HD23

       LEU7    H -    LEU7 HD21    d: 4.28 +/- 1.01, weight: 0.5
       LEU7    H -    LEU7 HD22
       LEU7    H -    LEU7 HD23

ref_spec: eng, ref_peak: 169, id: 168, d: 4.26, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU7    H -    LEU7 HD11    d: 4.81 +/- 0.65, weight: 0.5
       LEU7    H -    LEU7 HD12
       LEU7    H -    LEU7 HD13

       LEU7    H -    LEU7 HD11    d: 4.81 +/- 0.65, weight: 0.5
       LEU7    H -    LEU7 HD12
       LEU7    H -    LEU7 HD13

ref_spec: eng, ref_peak: 170, id: 169, d: 4.19, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24 HH11 -   ASP23    H    d: 4.19 +/- 0.10, weight: 0.5
      ARG24 HH12 -   ASP23    H

      ARG24 HH11 -   ASP23    H    d: 4.19 +/- 0.10, weight: 0.5
      ARG24 HH12 -   ASP23    H

ref_spec: eng, ref_peak: 171, id: 170, d: 2.49, u: 2.91, u_viol: 0.27, %_viol: 15.0, viol: no, reliable: no, a_type: A
      ARG24 HH11 -   GLU20   HA    d: 2.39 +/- 0.24, weight: 0.5
      ARG24 HH12 -   GLU20   HA

      ARG24 HH11 -   GLU20   HA    d: 2.39 +/- 0.24, weight: 0.5
      ARG24 HH12 -   GLU20   HA

ref_spec: eng, ref_peak: 172, id: 171, d: 2.26, u: 5.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24 HH11 -   ARG24  HD3    d: 2.59 +/- 0.33, weight: 0.5
      ARG24 HH12 -   ARG24  HD3

      ARG24 HH11 -   ARG24  HD3    d: 2.60 +/- 0.28, weight: 0.5
      ARG24 HH12 -   ARG24  HD3

ref_spec: eng, ref_peak: 173, id: 172, d: 2.25, u: 4.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24 HH11 -   ARG24  HD2    d: 2.58 +/- 0.34, weight: 0.5
      ARG24 HH12 -   ARG24  HD2

      ARG24 HH11 -   ARG24  HD2    d: 2.60 +/- 0.28, weight: 0.5
      ARG24 HH12 -   ARG24  HD2

ref_spec: eng, ref_peak: 174, id: 173, d: 4.32, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HE1 -   HIS22  HB2    d: 5.01 +/- 0.23, weight: 0.4

      HIS22  HE1 -   HIS22  HB2    d: 5.09 +/- 0.22, weight: 0.4

      ARG24 HH11 -   HIS22  HB2    d: 6.29 +/- 0.38, weight: 0.1
      ARG24 HH12 -   HIS22  HB2

ref_spec: eng, ref_peak: 175, id: 174, d: 2.48, u: 3.36, u_viol: 0.14, %_viol: 5.0, viol: no, reliable: no, a_type: A
      ARG24 HH11 -   ASP23  HB2    d: 3.28 +/- 0.43, weight: 0.5
      ARG24 HH12 -   ASP23  HB2

      ARG24 HH11 -   ASP23  HB2    d: 3.27 +/- 0.44, weight: 0.5
      ARG24 HH12 -   ASP23  HB2

ref_spec: eng, ref_peak: 176, id: 175, d: 2.40, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50    H -   ASP49    H    d: 2.56 +/- 0.02, weight: 0.5

      ASN50    H -   ASP49    H    d: 2.56 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 177, id: 176, d: 2.20, u: 4.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50    H -   HIS51    H    d: 2.36 +/- 0.02, weight: 0.5

      ASN50    H -   HIS51    H    d: 2.35 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 178, id: 177, d: 2.56, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50    H -   ASN50   HA    d: 2.88 +/- 0.00, weight: 0.5

      ASN50    H -   ASN50   HA    d: 2.88 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 179, id: 178, d: 3.55, u: 3.96, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50    H -   LEU48   HA    d: 4.07 +/- 0.11, weight: 0.5

      ASN50    H -   LEU48   HA    d: 4.07 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 180, id: 179, d: 2.26, u: 2.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50    H -   ASN50  HB3    d: 2.94 +/- 0.61, weight: 0.5

      ASN50    H -   ASN50  HB3    d: 2.98 +/- 0.62, weight: 0.5

ref_spec: eng, ref_peak: 182, id: 181, d: 2.36, u: 3.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10    H -    ASN9   HA    d: 2.50 +/- 0.17, weight: 0.5

      GLY10    H -    ASN9   HA    d: 2.50 +/- 0.17, weight: 0.5

ref_spec: eng, ref_peak: 183, id: 182, d: 3.72, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51    H -   ASP49    H    d: 3.73 +/- 0.03, weight: 0.5

      HIS51    H -   ASP49    H    d: 3.73 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 184, id: 183, d: 2.27, u: 2.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28    H -   ALA29    H    d: 2.43 +/- 0.02, weight: 0.5

      ILE28    H -   ALA29    H    d: 2.43 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 185, id: 184, d: 2.07, u: 2.30, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51    H -   ASP52    H    d: 2.63 +/- 0.02, weight: 0.5

      HIS51    H -   ASP52    H    d: 2.63 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 186, id: 185, d: 3.10, u: 3.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51    H -   ASN50   HA    d: 3.38 +/- 0.02, weight: 0.5

      HIS51    H -   ASN50   HA    d: 3.38 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 187, id: 186, d: 2.58, u: 3.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51    H -   HIS51   HA    d: 2.91 +/- 0.00, weight: 0.5

      HIS51    H -   HIS51   HA    d: 2.91 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 188, id: 187, d: 3.31, u: 3.33, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28    H -   ARG24   HA    d: 4.46 +/- 0.03, weight: 0.2

      ILE28    H -   MET26   HA    d: 4.13 +/- 0.07, weight: 0.3

      ILE28    H -   MET26   HA    d: 4.13 +/- 0.07, weight: 0.3

ref_spec: eng, ref_peak: 189, id: 188, d: 2.48, u: 2.99, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51    H -   HIS51  HB2    d: 3.34 +/- 0.09, weight: 0.3

      ILE28    H -   GLU27  HG2    d: 3.95 +/- 0.04, weight: 0.1
      ILE28    H -   GLU27  HG3

      HIS51    H -   HIS51  HB2    d: 3.34 +/- 0.09, weight: 0.3

      ILE28    H -   GLU27  HG2    d: 3.95 +/- 0.04, weight: 0.1
      ILE28    H -   GLU27  HG3

ref_spec: eng, ref_peak: 190, id: 189, d: 3.16, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51    H -   ASN50  HB2    d: 3.68 +/- 0.44, weight: 0.5

      HIS51    H -   ASN50  HB2    d: 3.63 +/- 0.43, weight: 0.5

ref_spec: eng, ref_peak: 191, id: 190, d: 2.51, u: 2.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28    H -   ILE28   HA    d: 2.84 +/- 0.00, weight: 0.5

      ILE28    H -   ILE28   HA    d: 2.84 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 192, id: 191, d: 2.22, u: 3.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28    H -   GLU27  HB3    d: 3.20 +/- 0.67, weight: 0.5

      ILE28    H -   GLU27  HB3    d: 3.20 +/- 0.66, weight: 0.5

ref_spec: eng, ref_peak: 193, id: 192, d: 3.92, u: 4.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28    H -   ILE28 HG21    d: 4.44 +/- 0.06, weight: 0.3
      ILE28    H -   ILE28 HG22
      ILE28    H -   ILE28 HG23

      HIS51  HE1 -   ILE28 HG21    d: 5.46 +/- 0.53, weight: 0.1
      HIS51  HE1 -   ILE28 HG22
      HIS51  HE1 -   ILE28 HG23

      ILE28    H -   ILE28 HG21    d: 4.44 +/- 0.06, weight: 0.3
      ILE28    H -   ILE28 HG22
      ILE28    H -   ILE28 HG23

      HIS51  HE1 -   ILE28 HG21    d: 5.46 +/- 0.53, weight: 0.1
      HIS51  HE1 -   ILE28 HG22
      HIS51  HE1 -   ILE28 HG23

ref_spec: eng, ref_peak: 194, id: 193, d: 3.54, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28    H -   LEU25 HD11    d: 5.33 +/- 0.38, weight: 0.1
      ILE28    H -   LEU25 HD12
      ILE28    H -   LEU25 HD13

      ILE28    H -   ILE28 HD11    d: 4.01 +/- 0.35, weight: 0.3
      ILE28    H -   ILE28 HD12
      ILE28    H -   ILE28 HD13

      ILE28    H -   LEU25 HD11    d: 5.34 +/- 0.37, weight: 0.1
      ILE28    H -   LEU25 HD12
      ILE28    H -   LEU25 HD13

      ILE28    H -   ILE28 HD11    d: 4.01 +/- 0.35, weight: 0.3
      ILE28    H -   ILE28 HD12
      ILE28    H -   ILE28 HD13

ref_spec: eng, ref_peak: 195, id: 194, d: 2.56, u: 2.62, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42    H -   ARG41    H    d: 2.94 +/- 0.09, weight: 0.5

      LEU42    H -   ARG41    H    d: 2.94 +/- 0.09, weight: 0.5

ref_spec: eng, ref_peak: 196, id: 195, d: 2.23, u: 3.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42    H -   ALA43    H    d: 2.51 +/- 0.06, weight: 0.5

      LEU42    H -   ALA43    H    d: 2.51 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 197, id: 196, d: 3.38, u: 3.75, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42    H -   VAL39   HA    d: 3.70 +/- 0.08, weight: 0.5

      LEU42    H -   VAL39   HA    d: 3.70 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 198, id: 197, d: 2.14, u: 2.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42    H -   LEU42  HB3    d: 3.17 +/- 0.48, weight: 0.4

      LEU42    H -   LEU42  HB3    d: 3.00 +/- 0.50, weight: 0.6

ref_spec: eng, ref_peak: 199, id: 198, d: 2.22, u: 2.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42    H -   LEU42   HG    d: 2.15 +/- 0.61, weight: 0.5

      LEU42    H -   LEU42   HG    d: 2.15 +/- 0.61, weight: 0.5

ref_spec: eng, ref_peak: 200, id: 199, d: 5.77, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42    H -   VAL39 HG21    d: 6.48 +/- 0.06, weight: 0.5
      LEU42    H -   VAL39 HG22
      LEU42    H -   VAL39 HG23

      LEU42    H -   VAL39 HG21    d: 6.47 +/- 0.06, weight: 0.5
      LEU42    H -   VAL39 HG22
      LEU42    H -   VAL39 HG23

ref_spec: eng, ref_peak: 201, id: 200, d: 3.77, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42    H -   LEU42 HD11    d: 4.22 +/- 0.28, weight: 0.4
      LEU42    H -   LEU42 HD12
      LEU42    H -   LEU42 HD13

      LEU42    H -   LEU42 HD11    d: 4.22 +/- 0.28, weight: 0.4
      LEU42    H -   LEU42 HD12
      LEU42    H -   LEU42 HD13

ref_spec: eng, ref_peak: 202, id: 201, d: 3.56, u: 3.63, u_viol: 0.05, %_viol: 5.0, viol: no, reliable: no, a_type: A
      GLN19 HE22 -   ASP23    H    d: 3.38 +/- 0.36, weight: 0.5

      GLN19 HE22 -   ASP23    H    d: 3.40 +/- 0.37, weight: 0.5

ref_spec: eng, ref_peak: 203, id: 202, d: 4.71, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19 HE22 -   ARG24 HH11    d: 3.46 +/- 0.30, weight: 0.5
      GLN19 HE22 -   ARG24 HH12

      GLN19 HE22 -   ARG24 HH11    d: 3.45 +/- 0.30, weight: 0.5
      GLN19 HE22 -   ARG24 HH12

ref_spec: eng, ref_peak: 204, id: 203, d: 1.54, u: 2.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19 HE22 -   GLN19 HE21    d: 1.73 +/- 0.00, weight: 0.5

      GLN19 HE22 -   GLN19 HE21    d: 1.73 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 205, id: 204, d: 5.85, u: 6.00, u_viol: 0.73, %_viol: 35.0, viol: no, reliable: no, a_type: A
      GLN19 HE22 -   ILE11 HD11    d: 6.61 +/- 0.40, weight: 0.5
      GLN19 HE22 -   ILE11 HD12
      GLN19 HE22 -   ILE11 HD13

      GLN19 HE22 -   ILE11 HD11    d: 6.63 +/- 0.40, weight: 0.5
      GLN19 HE22 -   ILE11 HD12
      GLN19 HE22 -   ILE11 HD13

ref_spec: eng, ref_peak: 206, id: 205, d: 2.26, u: 3.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   ILE44    H    d: 2.62 +/- 0.03, weight: 0.5

      ALA43    H -   ILE44    H    d: 2.62 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 207, id: 206, d: 3.17, u: 3.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24    H -   ASP23   HA    d: 3.59 +/- 0.00, weight: 0.5

      ARG24    H -   ASP23   HA    d: 3.59 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 208, id: 207, d: 2.56, u: 4.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24    H -   ARG24   HA    d: 2.87 +/- 0.00, weight: 0.5

      ARG24    H -   ARG24   HA    d: 2.87 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 209, id: 208, d: 3.04, u: 3.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   LEU42   HA    d: 3.44 +/- 0.01, weight: 0.5

      ALA43    H -   LEU42   HA    d: 3.44 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 210, id: 209, d: 3.00, u: 3.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   CYS40   HA    d: 3.37 +/- 0.02, weight: 0.5

      ALA43    H -   CYS40   HA    d: 3.38 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 211, id: 210, d: 3.75, u: 4.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   VAL39   HA    d: 3.95 +/- 0.04, weight: 0.5

      ALA43    H -   VAL39   HA    d: 3.95 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 212, id: 211, d: 4.64, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   ARG41  HB3    d: 5.06 +/- 0.39, weight: 0.5

      ALA43    H -   ARG41  HB3    d: 5.13 +/- 0.38, weight: 0.5

ref_spec: eng, ref_peak: 213, id: 212, d: 2.75, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   LEU42  HB3    d: 3.62 +/- 0.56, weight: 0.4

      ALA43    H -   LEU42  HB3    d: 3.40 +/- 0.54, weight: 0.6

ref_spec: eng, ref_peak: 214, id: 213, d: 3.60, u: 4.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   ILE44 HG13    d: 4.36 +/- 0.11, weight: 0.5

      ALA43    H -   ILE44 HG13    d: 4.40 +/- 0.19, weight: 0.5

ref_spec: eng, ref_peak: 215, id: 214, d: 3.49, u: 3.48, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   LEU42  HB2    d: 3.40 +/- 0.53, weight: 0.6

      ALA43    H -   LEU42  HB2    d: 3.62 +/- 0.55, weight: 0.4

ref_spec: eng, ref_peak: 216, id: 215, d: 2.39, u: 2.82, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   ALA43  HB1    d: 2.70 +/- 0.01, weight: 0.5
      ALA43    H -   ALA43  HB2
      ALA43    H -   ALA43  HB3

      ALA43    H -   ALA43  HB1    d: 2.70 +/- 0.01, weight: 0.5
      ALA43    H -   ALA43  HB2
      ALA43    H -   ALA43  HB3

ref_spec: eng, ref_peak: 217, id: 216, d: 4.06, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   LEU42 HD11    d: 5.48 +/- 0.11, weight: 0.2
      ALA43    H -   LEU42 HD12
      ALA43    H -   LEU42 HD13

      ALA43    H -   ILE44 HG21    d: 5.07 +/- 0.37, weight: 0.3
      ALA43    H -   ILE44 HG22
      ALA43    H -   ILE44 HG23

      ALA43    H -   ILE44 HG21    d: 5.06 +/- 0.37, weight: 0.3
      ALA43    H -   ILE44 HG22
      ALA43    H -   ILE44 HG23

      ALA43    H -   LEU42 HD11    d: 5.48 +/- 0.11, weight: 0.2
      ALA43    H -   LEU42 HD12
      ALA43    H -   LEU42 HD13

ref_spec: eng, ref_peak: 218, id: 217, d: 5.38, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24    H -   LEU25 HD11    d: 7.71 +/- 0.16, weight: 0.1
      ARG24    H -   LEU25 HD12
      ARG24    H -   LEU25 HD13

      ARG24    H -   LEU48 HD21    d: 8.33 +/- 0.45, weight: 0.1
      ARG24    H -   LEU48 HD22
      ARG24    H -   LEU48 HD23

      ALA43    H -   LEU25 HD11    d: 7.57 +/- 0.16, weight: 0.2
      ALA43    H -   LEU25 HD12
      ALA43    H -   LEU25 HD13

      ARG24    H -   LEU48 HD21    d: 8.33 +/- 0.44, weight: 0.1
      ARG24    H -   LEU48 HD22
      ARG24    H -   LEU48 HD23

      ARG24    H -   LEU25 HD11    d: 7.71 +/- 0.16, weight: 0.1
      ARG24    H -   LEU25 HD12
      ARG24    H -   LEU25 HD13

      ALA43    H -   LEU25 HD11    d: 7.56 +/- 0.16, weight: 0.2
      ALA43    H -   LEU25 HD12
      ALA43    H -   LEU25 HD13

ref_spec: eng, ref_peak: 220, id: 219, d: 3.55, u: 3.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   ASP49    H    d: 3.63 +/- 0.07, weight: 0.5

      TYR47    H -   ASP49    H    d: 3.63 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 221, id: 220, d: 2.30, u: 2.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   LEU48    H    d: 2.69 +/- 0.02, weight: 0.4

      TYR47    H -   LEU48    H    d: 2.69 +/- 0.02, weight: 0.4

ref_spec: eng, ref_peak: 222, id: 221, d: 2.14, u: 2.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   GLU46    H    d: 2.33 +/- 0.03, weight: 0.5

      TYR47    H -   GLU46    H    d: 2.33 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 223, id: 222, d: 3.87, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   ILE44    H    d: 4.45 +/- 0.05, weight: 0.4

      TYR47    H -   ILE44    H    d: 4.45 +/- 0.05, weight: 0.4

ref_spec: eng, ref_peak: 224, id: 223, d: 2.53, u: 3.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   ILE28    H    d: 2.78 +/- 0.03, weight: 0.5

      GLU27    H -   ILE28    H    d: 2.78 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 225, id: 224, d: 4.91, u: 5.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41 HH11 -   TRP21  HZ3    d: 6.01 +/- 0.39, weight: 0.3
      ARG41 HH12 -   TRP21  HZ3

      ARG41 HH21 -   TRP21  HZ3    d: 7.52 +/- 1.03, weight: 0.1
      ARG41 HH22 -   TRP21  HZ3

      ARG41 HH11 -   TRP21  HZ3    d: 6.00 +/- 0.39, weight: 0.3
      ARG41 HH12 -   TRP21  HZ3

      ARG41 HH21 -   TRP21  HZ3    d: 7.52 +/- 1.03, weight: 0.1
      ARG41 HH22 -   TRP21  HZ3

ref_spec: eng, ref_peak: 226, id: 225, d: 3.95, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   TYR47  HD1    d: 4.64 +/- 0.01, weight: 0.4
      TYR47    H -   TYR47  HD2

      TYR47    H -   TYR47  HD1    d: 4.64 +/- 0.01, weight: 0.4
      TYR47    H -   TYR47  HD2

ref_spec: eng, ref_peak: 227, id: 226, d: 5.49, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   TYR47  HE1    d: 6.92 +/- 0.01, weight: 0.3
      TYR47    H -   TYR47  HE2

      TYR47    H -   TYR47  HE1    d: 7.69 +/- 0.26, weight: 0.2
      TYR47    H -   TYR47  HE2

      TYR47    H -   TYR47  HE1    d: 7.68 +/- 0.26, weight: 0.2
      TYR47    H -   TYR47  HE2

      TYR47    H -   TYR47  HE1    d: 6.92 +/- 0.01, weight: 0.3
      TYR47    H -   TYR47  HE2

ref_spec: eng, ref_peak: 228, id: 227, d: 2.50, u: 3.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   GLU27   HA    d: 2.77 +/- 0.00, weight: 0.5

      GLU27    H -   GLU27   HA    d: 2.77 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 229, id: 228, d: 3.04, u: 3.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   GLU46   HA    d: 3.49 +/- 0.01, weight: 0.5

      TYR47    H -   GLU46   HA    d: 3.49 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 230, id: 229, d: 3.63, u: 3.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   ALA43   HA    d: 4.34 +/- 0.08, weight: 0.3

      TYR47    H -   ALA43   HA    d: 4.88 +/- 0.08, weight: 0.2

      TYR47    H -   ALA43   HA    d: 4.34 +/- 0.08, weight: 0.3

ref_spec: eng, ref_peak: 231, id: 230, d: 4.40, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   MET26  HG3    d: 4.09 +/- 0.22, weight: 0.5

      GLU27    H -   MET26  HG3    d: 4.17 +/- 0.34, weight: 0.5

ref_spec: eng, ref_peak: 232, id: 231, d: 2.89, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   GLU46  HB2    d: 3.16 +/- 0.06, weight: 0.5
      TYR47    H -   GLU46  HB3

      TYR47    H -   GLU46  HB2    d: 3.16 +/- 0.06, weight: 0.5
      TYR47    H -   GLU46  HB3

ref_spec: eng, ref_peak: 233, id: 232, d: 2.55, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   MET26  HB2    d: 2.81 +/- 0.03, weight: 0.5

      GLU27    H -   MET26  HB2    d: 2.81 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 234, id: 233, d: 5.62, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   ARG24  HG2    d: 6.34 +/- 0.08, weight: 0.5
      GLU27    H -   ARG24  HG3

      GLU27    H -   ARG24  HG2    d: 6.34 +/- 0.08, weight: 0.5
      GLU27    H -   ARG24  HG3

ref_spec: eng, ref_peak: 235, id: 234, d: 4.47, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   ILE28   HB    d: 5.43 +/- 0.14, weight: 0.5

      GLU27    H -   ILE28   HB    d: 5.43 +/- 0.14, weight: 0.5

ref_spec: eng, ref_peak: 236, id: 235, d: 4.84, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   ILE44 HG12    d: 5.59 +/- 0.14, weight: 0.4

      ARG41 HH11 -   ILE44 HG12    d: 8.05 +/- 0.68, weight: 0.0
      ARG41 HH12 -   ILE44 HG12

      TYR47    H -   ILE44 HG12    d: 5.57 +/- 0.04, weight: 0.4

ref_spec: eng, ref_peak: 237, id: 236, d: 3.79, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47    H -   ALA43  HB1    d: 4.25 +/- 0.08, weight: 0.4
      TYR47    H -   ALA43  HB2
      TYR47    H -   ALA43  HB3

      TYR47    H -   ALA43  HB1    d: 4.25 +/- 0.08, weight: 0.4
      TYR47    H -   ALA43  HB2
      TYR47    H -   ALA43  HB3

ref_spec: eng, ref_peak: 238, id: 237, d: 2.86, u: 3.07, u_viol: 0.06, %_viol: 10.0, viol: no, reliable: no, a_type: A
      ASN50 HD22 -   ASN50    H    d: 3.33 +/- 0.73, weight: 0.6

      ASN50 HD22 -   ASN50    H    d: 3.54 +/- 0.53, weight: 0.4

ref_spec: eng, ref_peak: 239, id: 238, d: 1.50, u: 2.53, u_viol: 0.00, %_viol: 15.0, viol: no, reliable: no, a_type: A
      ASN50 HD22 -   ASN50 HD21    d: 1.73 +/- 0.00, weight: 0.5

      ASN50 HD22 -   ASN50 HD21    d: 1.73 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 240, id: 239, d: 3.34, u: 5.17, u_viol: 0.00, %_viol: 5.0, viol: no, reliable: no, a_type: A
      ASN50 HD22 -   ASN50   HA    d: 4.10 +/- 0.78, weight: 0.5

      ASN50 HD22 -   ASN50   HA    d: 4.21 +/- 0.53, weight: 0.4

ref_spec: eng, ref_peak: 241, id: 240, d: 2.76, u: 4.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50 HD22 -   TYR47   HA    d: 3.40 +/- 0.90, weight: 0.5

      ASN50 HD22 -   TYR47   HA    d: 3.57 +/- 1.03, weight: 0.4

ref_spec: eng, ref_peak: 242, id: 241, d: 4.14, u: 6.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50 HD22 -   GLU46   HA    d: 4.73 +/- 0.83, weight: 0.4

      ASN50 HD22 -   GLU46   HA    d: 4.70 +/- 0.57, weight: 0.4

ref_spec: eng, ref_peak: 243, id: 242, d: 4.03, u: 4.06, u_viol: 0.38, %_viol: 35.0, viol: no, reliable: no, a_type: A
      ASN50 HD22 -   GLU46  HB2    d: 5.24 +/- 0.84, weight: 0.3
      ASN50 HD22 -   GLU46  HB3

      ASN50 HD22 -   GLU46  HB2    d: 5.64 +/- 0.95, weight: 0.2
      ASN50 HD22 -   GLU46  HB3

      ASN50 HD22 -   GLU46  HB2    d: 5.08 +/- 0.69, weight: 0.3
      ASN50 HD22 -   GLU46  HB3

ref_spec: eng, ref_peak: 244, id: 243, d: 3.33, u: 4.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33 HD22 -   ASN33   HA    d: 3.99 +/- 0.66, weight: 0.5

      ASN33 HD22 -   ASN33   HA    d: 3.97 +/- 0.69, weight: 0.5

ref_spec: eng, ref_peak: 245, id: 244, d: 2.72, u: 5.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54 HE22 -   GLN54  HG2    d: 3.41 +/- 0.55, weight: 0.4
      GLN54 HE22 -   GLN54  HG3

      GLN54 HE22 -   GLN54  HG2    d: 3.26 +/- 0.56, weight: 0.6
      GLN54 HE22 -   GLN54  HG3

ref_spec: eng, ref_peak: 246, id: 245, d: 3.60, u: 5.79, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54 HE22 -   GLN54  HB3    d: 3.94 +/- 0.71, weight: 0.6

      GLN54 HE22 -   GLN54  HB3    d: 4.28 +/- 0.57, weight: 0.4

ref_spec: eng, ref_peak: 247, id: 246, d: 3.69, u: 4.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   ILE44 HG13    d: 3.62 +/- 0.27, weight: 0.4

      TRP21  HE3 -   ILE44 HG13    d: 3.60 +/- 0.30, weight: 0.4

ref_spec: eng, ref_peak: 248, id: 247, d: 2.60, u: 4.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   ILE17 HG21    d: 3.59 +/- 0.12, weight: 0.5
      TRP21  HE3 -   ILE17 HG22
      TRP21  HE3 -   ILE17 HG23

      TRP21  HE3 -   ILE17 HG21    d: 3.59 +/- 0.12, weight: 0.5
      TRP21  HE3 -   ILE17 HG22
      TRP21  HE3 -   ILE17 HG23

ref_spec: eng, ref_peak: 249, id: 248, d: 3.46, u: 5.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE3 -   LEU25 HD11    d: 5.26 +/- 0.44, weight: 0.3
      TRP21  HE3 -   LEU25 HD12
      TRP21  HE3 -   LEU25 HD13

      TRP21  HE3 -   LEU36 HD11    d: 6.12 +/- 0.63, weight: 0.1
      TRP21  HE3 -   LEU36 HD12
      TRP21  HE3 -   LEU36 HD13

      TRP21  HE3 -   LEU25 HD11    d: 5.26 +/- 0.44, weight: 0.3
      TRP21  HE3 -   LEU25 HD12
      TRP21  HE3 -   LEU25 HD13

      TRP21  HE3 -   LEU36 HD11    d: 6.12 +/- 0.63, weight: 0.1
      TRP21  HE3 -   LEU36 HD12
      TRP21  HE3 -   LEU36 HD13

ref_spec: eng, ref_peak: 250, id: 249, d: 4.31, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3 HH11 -    ARG3  HG2    d: 4.79 +/- 0.29, weight: 0.5
       ARG3 HH11 -    ARG3  HG3
       ARG3 HH12 -    ARG3  HG2
       ARG3 HH12 -    ARG3  HG3

       ARG3 HH11 -    ARG3  HG2    d: 4.80 +/- 0.29, weight: 0.5
       ARG3 HH11 -    ARG3  HG3
       ARG3 HH12 -    ARG3  HG2
       ARG3 HH12 -    ARG3  HG3

ref_spec: eng, ref_peak: 251, id: 250, d: 2.32, u: 3.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21    H -   GLU20    H    d: 2.66 +/- 0.03, weight: 0.5

      TRP21    H -   GLU20    H    d: 2.67 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 252, id: 251, d: 3.24, u: 4.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21    H -   ASP23    H    d: 4.15 +/- 0.11, weight: 0.5

      TRP21    H -   ASP23    H    d: 4.16 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 253, id: 252, d: 3.85, u: 4.06, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   LEU42    H    d: 3.93 +/- 0.12, weight: 0.5

      TRP21  HH2 -   LEU42    H    d: 3.93 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 254, id: 253, d: 3.71, u: 3.69, u_viol: 0.15, %_viol: 30.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   ARG41 HH11    d: 3.89 +/- 0.55, weight: 0.4
      TRP21  HH2 -   ARG41 HH12

      TRP21  HH2 -   ARG41 HH11    d: 3.89 +/- 0.55, weight: 0.4
      TRP21  HH2 -   ARG41 HH12

ref_spec: eng, ref_peak: 255, id: 254, d: 2.18, u: 2.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   TRP21  HZ2    d: 2.46 +/- 0.01, weight: 0.5

      TRP21  HH2 -   TRP21  HZ2    d: 2.46 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 256, id: 255, d: 2.15, u: 3.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   TRP21  HZ3    d: 2.43 +/- 0.00, weight: 0.5

      TRP21  HH2 -   TRP21  HZ3    d: 2.43 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 257, id: 256, d: 2.55, u: 3.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21    H -   TRP21   HA    d: 2.88 +/- 0.01, weight: 0.5

      TRP21    H -   TRP21   HA    d: 2.88 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 258, id: 257, d: 3.06, u: 3.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21    H -   GLU20   HA    d: 3.47 +/- 0.02, weight: 0.5

      TRP21    H -   GLU20   HA    d: 3.47 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 259, id: 258, d: 5.93, u: 6.00, u_viol: 0.04, %_viol: 5.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   LEU48 HD11    d: 6.84 +/- 0.28, weight: 0.3
      TRP21  HH2 -   LEU48 HD12
      TRP21  HH2 -   LEU48 HD13

      TRP21    H -   LEU48 HD11    d: 7.26 +/- 0.28, weight: 0.2
      TRP21    H -   LEU48 HD12
      TRP21    H -   LEU48 HD13

      TRP21  HH2 -   LEU48 HD11    d: 6.84 +/- 0.28, weight: 0.3
      TRP21  HH2 -   LEU48 HD12
      TRP21  HH2 -   LEU48 HD13

      TRP21    H -   LEU48 HD11    d: 7.25 +/- 0.28, weight: 0.2
      TRP21    H -   LEU48 HD12
      TRP21    H -   LEU48 HD13

ref_spec: eng, ref_peak: 260, id: 259, d: 3.02, u: 3.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HD1 -   TRP21  HB3    d: 3.58 +/- 0.10, weight: 0.5

      TRP21  HD1 -   TRP21  HB3    d: 3.60 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 261, id: 260, d: 3.28, u: 4.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HD1 -   TRP21  HB2    d: 3.67 +/- 0.10, weight: 0.5

      TRP21  HD1 -   TRP21  HB2    d: 3.65 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 262, id: 261, d: 5.14, u: 5.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HD1 -   ARG24  HB2    d: 5.25 +/- 0.22, weight: 0.5
      TRP21  HD1 -   ARG24  HB3

      TRP21  HD1 -   ARG24  HB2    d: 5.25 +/- 0.22, weight: 0.5
      TRP21  HD1 -   ARG24  HB3

ref_spec: eng, ref_peak: 263, id: 262, d: 4.76, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HD1 -   ILE17   HB    d: 5.79 +/- 0.07, weight: 0.5

      TRP21  HD1 -   ILE17   HB    d: 5.79 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 264, id: 263, d: 6.51, u: 7.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HD1 -   ILE17 HG21    d: 8.12 +/- 0.07, weight: 0.4
      TRP21  HD1 -   ILE17 HG22
      TRP21  HD1 -   ILE17 HG23

      TRP21  HD1 -   ILE17 HG21    d: 8.12 +/- 0.07, weight: 0.4
      TRP21  HD1 -   ILE17 HG22
      TRP21  HD1 -   ILE17 HG23

ref_spec: eng, ref_peak: 265, id: 264, d: 4.88, u: 5.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HD1 -   LEU25   HG    d: 5.47 +/- 0.25, weight: 0.4

      TRP21  HD1 -   LEU25   HG    d: 5.47 +/- 0.25, weight: 0.4

ref_spec: eng, ref_peak: 267, id: 266, d: 5.68, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   ILE44   HA    d: 5.90 +/- 0.11, weight: 0.5

      TRP21  HZ3 -   ILE44   HA    d: 5.90 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 268, id: 267, d: 4.43, u: 4.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   TRP21  HB2    d: 5.03 +/- 0.14, weight: 0.5

      TRP21  HZ3 -   TRP21  HB2    d: 5.06 +/- 0.15, weight: 0.5

ref_spec: eng, ref_peak: 269, id: 268, d: 3.20, u: 5.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   ILE17   HB    d: 2.74 +/- 0.10, weight: 0.5

      TRP21  HZ3 -   ILE17   HB    d: 2.74 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 270, id: 269, d: 2.31, u: 4.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   ILE17 HG21    d: 3.06 +/- 0.21, weight: 0.5
      TRP21  HZ3 -   ILE17 HG22
      TRP21  HZ3 -   ILE17 HG23

      TRP21  HZ3 -   ILE17 HG21    d: 3.05 +/- 0.20, weight: 0.5
      TRP21  HZ3 -   ILE17 HG22
      TRP21  HZ3 -   ILE17 HG23

ref_spec: eng, ref_peak: 271, id: 270, d: 4.21, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   LEU25   HG    d: 4.93 +/- 0.27, weight: 0.3

      TRP21  HZ3 -   ILE44 HG21    d: 5.20 +/- 0.23, weight: 0.2
      TRP21  HZ3 -   ILE44 HG22
      TRP21  HZ3 -   ILE44 HG23

      TRP21  HZ3 -   ILE44 HG21    d: 5.20 +/- 0.23, weight: 0.2
      TRP21  HZ3 -   ILE44 HG22
      TRP21  HZ3 -   ILE44 HG23

      TRP21  HZ3 -   LEU25   HG    d: 4.93 +/- 0.27, weight: 0.3

ref_spec: eng, ref_peak: 272, id: 271, d: 2.51, u: 3.93, u_viol: 0.14, %_viol: 5.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   ILE44 HD11    d: 2.82 +/- 0.19, weight: 0.5
      TRP21  HZ3 -   ILE44 HD12
      TRP21  HZ3 -   ILE44 HD13

      TRP21  HZ3 -   ILE44 HD11    d: 2.82 +/- 0.19, weight: 0.5
      TRP21  HZ3 -   ILE44 HD12
      TRP21  HZ3 -   ILE44 HD13

ref_spec: eng, ref_peak: 273, id: 272, d: 6.85, u: 8.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   LEU48 HD11    d: 7.26 +/- 0.17, weight: 0.5
      TRP21  HZ3 -   LEU48 HD12
      TRP21  HZ3 -   LEU48 HD13

      TRP21  HZ3 -   LEU48 HD11    d: 7.26 +/- 0.16, weight: 0.5
      TRP21  HZ3 -   LEU48 HD12
      TRP21  HZ3 -   LEU48 HD13

ref_spec: eng, ref_peak: 274, id: 273, d: 2.80, u: 3.46, u_viol: 0.35, %_viol: 5.0, viol: no, reliable: no, a_type: A
       TYR5  HD1 -    TYR5    H    d: 3.72 +/- 0.63, weight: 0.5
       TYR5  HD2 -    TYR5    H

       TYR5  HD1 -    TYR5    H    d: 3.72 +/- 0.63, weight: 0.5
       TYR5  HD2 -    TYR5    H

ref_spec: eng, ref_peak: 275, id: 274, d: 2.45, u: 3.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5  HD1 -    TYR5  HE1    d: 2.75 +/- 0.00, weight: 0.5
       TYR5  HD1 -    TYR5  HE2
       TYR5  HD2 -    TYR5  HE1
       TYR5  HD2 -    TYR5  HE2

       TYR5  HD1 -    TYR5  HE1    d: 2.75 +/- 0.00, weight: 0.5
       TYR5  HD1 -    TYR5  HE2
       TYR5  HD2 -    TYR5  HE1
       TYR5  HD2 -    TYR5  HE2

ref_spec: eng, ref_peak: 276, id: 275, d: 2.92, u: 3.44, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50 HD21 -   ASN50    H    d: 3.54 +/- 0.53, weight: 0.4

      ASN50 HD21 -   ASN50    H    d: 3.33 +/- 0.73, weight: 0.6

ref_spec: eng, ref_peak: 277, id: 276, d: 4.09, u: 4.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50 HD21 -   GLU46   HA    d: 4.73 +/- 0.83, weight: 0.4

      ASN50 HD21 -   GLU46   HA    d: 4.70 +/- 0.57, weight: 0.4

ref_spec: eng, ref_peak: 278, id: 277, d: 3.02, u: 4.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   ILE17    H    d: 3.68 +/- 0.54, weight: 0.5
      TYR16  HD2 -   ILE17    H

      TYR16  HD1 -   ILE17    H    d: 3.68 +/- 0.54, weight: 0.5
      TYR16  HD2 -   ILE17    H

ref_spec: eng, ref_peak: 279, id: 278, d: 2.35, u: 3.34, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HD2 -   HIS22    H    d: 2.64 +/- 0.51, weight: 0.5

      HIS22  HD2 -   HIS22    H    d: 2.64 +/- 0.51, weight: 0.5

ref_spec: eng, ref_peak: 280, id: 279, d: 2.75, u: 4.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HD2 -   ILE17 HG13    d: 3.47 +/- 0.40, weight: 0.5

      HIS22  HD2 -   ILE17 HG13    d: 3.46 +/- 0.44, weight: 0.5

ref_spec: eng, ref_peak: 281, id: 280, d: 3.17, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HD2 -   ILE17 HD11    d: 4.50 +/- 0.56, weight: 0.5
      HIS22  HD2 -   ILE17 HD12
      HIS22  HD2 -   ILE17 HD13

      HIS22  HD2 -   ILE17 HD11    d: 4.50 +/- 0.56, weight: 0.5
      HIS22  HD2 -   ILE17 HD12
      HIS22  HD2 -   ILE17 HD13

ref_spec: eng, ref_peak: 282, id: 281, d: 4.41, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HD2 -   ILE11 HD11    d: 3.93 +/- 0.88, weight: 0.5
      HIS22  HD2 -   ILE11 HD12
      HIS22  HD2 -   ILE11 HD13

      HIS22  HD2 -   ILE11 HD11    d: 3.93 +/- 0.87, weight: 0.5
      HIS22  HD2 -   ILE11 HD12
      HIS22  HD2 -   ILE11 HD13

ref_spec: eng, ref_peak: 283, id: 282, d: 4.11, u: 4.47, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   LYS12    H    d: 4.12 +/- 0.38, weight: 0.5
      TYR16  HD2 -   LYS12    H

      TYR16  HD1 -   LYS12    H    d: 4.13 +/- 0.38, weight: 0.5
      TYR16  HD2 -   LYS12    H

ref_spec: eng, ref_peak: 284, id: 283, d: 2.45, u: 2.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   TYR16  HE1    d: 2.75 +/- 0.00, weight: 0.5
      TYR16  HD1 -   TYR16  HE2
      TYR16  HD2 -   TYR16  HE1
      TYR16  HD2 -   TYR16  HE2

      TYR16  HD1 -   TYR16  HE1    d: 2.75 +/- 0.00, weight: 0.5
      TYR16  HD1 -   TYR16  HE2
      TYR16  HD2 -   TYR16  HE1
      TYR16  HD2 -   TYR16  HE2

ref_spec: eng, ref_peak: 285, id: 284, d: 2.54, u: 3.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   TYR16   HA    d: 2.60 +/- 0.25, weight: 0.5
      TYR16  HD2 -   TYR16   HA

      TYR16  HD1 -   TYR16   HA    d: 2.60 +/- 0.25, weight: 0.5
      TYR16  HD2 -   TYR16   HA

ref_spec: eng, ref_peak: 286, id: 285, d: 3.76, u: 4.15, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   ILE11   HA    d: 3.34 +/- 0.49, weight: 0.5
      TYR16  HD2 -   ILE11   HA

      TYR16  HD1 -   ILE11   HA    d: 3.35 +/- 0.49, weight: 0.5
      TYR16  HD2 -   ILE11   HA

ref_spec: eng, ref_peak: 287, id: 286, d: 3.41, u: 3.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   GLY10  HA3    d: 3.95 +/- 0.42, weight: 0.5
      TYR16  HD2 -   GLY10  HA3

      TYR16  HD1 -   GLY10  HA3    d: 3.96 +/- 0.44, weight: 0.5
      TYR16  HD2 -   GLY10  HA3

ref_spec: eng, ref_peak: 288, id: 287, d: 3.71, u: 5.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   GLY10  HA2    d: 4.20 +/- 0.55, weight: 0.5
      TYR16  HD2 -   GLY10  HA2

      TYR16  HD1 -   GLY10  HA2    d: 4.20 +/- 0.53, weight: 0.5
      TYR16  HD2 -   GLY10  HA2

ref_spec: eng, ref_peak: 289, id: 288, d: 6.93, u: 8.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   PRO18  HD2    d: 7.69 +/- 0.66, weight: 0.6
      TYR16  HD2 -   PRO18  HD2

      TYR16  HD1 -   PRO18  HD2    d: 8.06 +/- 0.64, weight: 0.4
      TYR16  HD2 -   PRO18  HD2

ref_spec: eng, ref_peak: 290, id: 289, d: 4.49, u: 5.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   ILE11   HB    d: 5.07 +/- 0.22, weight: 0.4
      TYR16  HD2 -   ILE11   HB

      TYR16  HD1 -   ILE11   HB    d: 5.07 +/- 0.22, weight: 0.4
      TYR16  HD2 -   ILE11   HB

ref_spec: eng, ref_peak: 291, id: 290, d: 4.37, u: 4.43, u_viol: 0.43, %_viol: 15.0, viol: no, reliable: no, a_type: A
      TYR16  HD1 -   LYS12  HB3    d: 4.91 +/- 0.73, weight: 0.5
      TYR16  HD2 -   LYS12  HB3

      TYR16  HD1 -   LYS12  HB3    d: 5.02 +/- 0.72, weight: 0.4
      TYR16  HD2 -   LYS12  HB3

ref_spec: eng, ref_peak: 292, id: 291, d: 2.57, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51  HD2 -   HIS51    H    d: 3.78 +/- 0.22, weight: 0.3

      HIS51  HD2 -   HIS51  HE1    d: 4.24 +/- 0.00, weight: 0.2

      HIS51  HD2 -   HIS51    H    d: 3.78 +/- 0.23, weight: 0.3

ref_spec: eng, ref_peak: 293, id: 292, d: 1.54, u: 2.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54 HE21 -   GLN54 HE22    d: 1.73 +/- 0.00, weight: 0.5

      GLN54 HE21 -   GLN54 HE22    d: 1.73 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 294, id: 293, d: 3.53, u: 5.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51  HD2 -   TYR47   HA    d: 4.62 +/- 0.45, weight: 0.5

      HIS51  HD2 -   TYR47   HA    d: 4.62 +/- 0.45, weight: 0.5

ref_spec: eng, ref_peak: 295, id: 294, d: 3.29, u: 6.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51  HD2 -   LEU48   HA    d: 4.00 +/- 0.56, weight: 0.5

      HIS51  HD2 -   LEU48   HA    d: 4.00 +/- 0.56, weight: 0.5

ref_spec: eng, ref_peak: 296, id: 295, d: 2.35, u: 13.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54 HE21 -   GLN54  HG2    d: 3.01 +/- 0.61, weight: 0.4
      GLN54 HE21 -   GLN54  HG3

      GLN54 HE21 -   GLN54  HG2    d: 2.86 +/- 0.51, weight: 0.6
      GLN54 HE21 -   GLN54  HG3

ref_spec: eng, ref_peak: 297, id: 296, d: 1.54, u: 1.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33 HD21 -   ASN33 HD22    d: 1.73 +/- 0.00, weight: 0.5

      ASN33 HD21 -   ASN33 HD22    d: 1.73 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 298, id: 297, d: 2.73, u: 4.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33 HD21 -   ASN33  HB3    d: 3.30 +/- 0.65, weight: 0.5

      ASN33 HD21 -   ASN33  HB3    d: 3.34 +/- 0.60, weight: 0.5

ref_spec: eng, ref_peak: 299, id: 298, d: 2.82, u: 4.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33 HD21 -   ASN33  HB2    d: 3.17 +/- 0.50, weight: 0.5

      ASN33 HD21 -   ASN33  HB2    d: 3.18 +/- 0.51, weight: 0.5

ref_spec: eng, ref_peak: 300, id: 299, d: 3.48, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HD1 -   LEU48    H    d: 4.06 +/- 0.07, weight: 0.5
      TYR47  HD2 -   LEU48    H

      TYR47  HD1 -   LEU48    H    d: 4.06 +/- 0.07, weight: 0.5
      TYR47  HD2 -   LEU48    H

ref_spec: eng, ref_peak: 301, id: 300, d: 5.25, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HD1 -   ILE44    H    d: 6.77 +/- 0.19, weight: 0.2
      TYR47  HD2 -   ILE44    H

      TYR47  HD1 -   ILE44    H    d: 6.27 +/- 0.13, weight: 0.3
      TYR47  HD2 -   ILE44    H

      TYR47  HD1 -   ILE44    H    d: 6.27 +/- 0.12, weight: 0.3
      TYR47  HD2 -   ILE44    H

      TYR47  HD1 -   ILE44    H    d: 6.77 +/- 0.19, weight: 0.2
      TYR47  HD2 -   ILE44    H

ref_spec: eng, ref_peak: 302, id: 301, d: 4.76, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HD1 -   HIS51  HE1    d: 6.66 +/- 0.37, weight: 0.1
      TYR47  HD2 -   HIS51  HE1

      TYR47  HD1 -   HIS51    H    d: 5.55 +/- 0.20, weight: 0.3
      TYR47  HD2 -   HIS51    H

      TYR47  HD1 -   HIS51  HE1    d: 6.66 +/- 0.37, weight: 0.1
      TYR47  HD2 -   HIS51  HE1

      TYR47  HD1 -   HIS51    H    d: 5.55 +/- 0.20, weight: 0.3
      TYR47  HD2 -   HIS51    H

ref_spec: eng, ref_peak: 303, id: 302, d: 2.45, u: 3.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HD1 -   TYR47  HE1    d: 2.75 +/- 0.00, weight: 0.5
      TYR47  HD1 -   TYR47  HE2
      TYR47  HD2 -   TYR47  HE1
      TYR47  HD2 -   TYR47  HE2

      TYR47  HD1 -   TYR47  HE1    d: 2.75 +/- 0.00, weight: 0.5
      TYR47  HD1 -   TYR47  HE2
      TYR47  HD2 -   TYR47  HE1
      TYR47  HD2 -   TYR47  HE2

ref_spec: eng, ref_peak: 304, id: 303, d: 5.26, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HD1 -   ILE44   HB    d: 6.43 +/- 0.22, weight: 0.4
      TYR47  HD2 -   ILE44   HB

      TYR47  HD1 -   ILE44   HB    d: 6.43 +/- 0.22, weight: 0.4
      TYR47  HD2 -   ILE44   HB

ref_spec: eng, ref_peak: 305, id: 304, d: 5.91, u: 6.00, u_viol: 0.62, %_viol: 60.0, viol: yes, reliable: no, a_type: A
       TYR5  HE1 -    LYS6  HG2    d: 7.40 +/- 1.81, weight: 0.4
       TYR5  HE2 -    LYS6  HG2

       TYR5  HE1 -    LYS6  HG2    d: 7.32 +/- 1.76, weight: 0.4
       TYR5  HE2 -    LYS6  HG2

ref_spec: eng, ref_peak: 306, id: 305, d: 4.01, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HD1 -   ILE44 HG21    d: 4.97 +/- 0.20, weight: 0.4
      TYR47  HD1 -   ILE44 HG22
      TYR47  HD1 -   ILE44 HG23
      TYR47  HD2 -   ILE44 HG21
      TYR47  HD2 -   ILE44 HG22
      TYR47  HD2 -   ILE44 HG23

      TYR47  HD1 -   ILE44 HG21    d: 4.97 +/- 0.20, weight: 0.4
      TYR47  HD1 -   ILE44 HG22
      TYR47  HD1 -   ILE44 HG23
      TYR47  HD2 -   ILE44 HG21
      TYR47  HD2 -   ILE44 HG22
      TYR47  HD2 -   ILE44 HG23

ref_spec: eng, ref_peak: 307, id: 306, d: 6.72, u: 6.00, u_viol: 0.76, %_viol: 90.0, viol: yes, reliable: no, a_type: A
      TYR47  HD1 -   ILE28 HD11    d: 6.13 +/- 1.12, weight: 0.5
      TYR47  HD1 -   ILE28 HD12
      TYR47  HD1 -   ILE28 HD13
      TYR47  HD2 -   ILE28 HD11
      TYR47  HD2 -   ILE28 HD12
      TYR47  HD2 -   ILE28 HD13

      TYR47  HD1 -   ILE28 HD11    d: 6.13 +/- 1.12, weight: 0.5
      TYR47  HD1 -   ILE28 HD12
      TYR47  HD1 -   ILE28 HD13
      TYR47  HD2 -   ILE28 HD11
      TYR47  HD2 -   ILE28 HD12
      TYR47  HD2 -   ILE28 HD13

ref_spec: eng, ref_peak: 308, id: 307, d: 4.41, u: 4.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5  HE1 -    TYR5  HB2    d: 4.96 +/- 0.01, weight: 0.5
       TYR5  HE1 -    TYR5  HB3
       TYR5  HE2 -    TYR5  HB2
       TYR5  HE2 -    TYR5  HB3

       TYR5  HE1 -    TYR5  HB2    d: 4.96 +/- 0.01, weight: 0.5
       TYR5  HE1 -    TYR5  HB3
       TYR5  HE2 -    TYR5  HB2
       TYR5  HE2 -    TYR5  HB3

ref_spec: eng, ref_peak: 309, id: 308, d: 4.28, u: 11.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19 HE21 -   HIS22  HB2    d: 4.97 +/- 0.67, weight: 0.4

      GLN19 HE21 -   HIS22  HB2    d: 4.84 +/- 0.45, weight: 0.5

ref_spec: eng, ref_peak: 310, id: 309, d: 3.56, u: 5.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19 HE21 -   GLN19  HB3    d: 4.38 +/- 0.70, weight: 0.5

      GLN19 HE21 -   GLN19  HB3    d: 4.25 +/- 0.80, weight: 0.5

ref_spec: eng, ref_peak: 311, id: 310, d: 3.15, u: 5.65, u_viol: 0.00, %_viol: 5.0, viol: no, reliable: no, a_type: A
      GLN19 HE21 -   GLN19  HB2    d: 4.17 +/- 0.80, weight: 0.5

      GLN19 HE21 -   GLN19  HB2    d: 4.27 +/- 0.71, weight: 0.5

ref_spec: eng, ref_peak: 312, id: 311, d: 5.09, u: 6.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HE1 -   ILE17    H    d: 5.93 +/- 0.35, weight: 0.5
      TYR16  HE2 -   ILE17    H

      TYR16  HE1 -   ILE17    H    d: 5.93 +/- 0.35, weight: 0.5
      TYR16  HE2 -   ILE17    H

ref_spec: eng, ref_peak: 313, id: 312, d: 3.33, u: 4.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HE1 -   LYS12    H    d: 3.45 +/- 0.35, weight: 0.5
      TYR16  HE2 -   LYS12    H

      TYR16  HE1 -   LYS12    H    d: 3.44 +/- 0.35, weight: 0.5
      TYR16  HE2 -   LYS12    H

ref_spec: eng, ref_peak: 314, id: 313, d: 4.29, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HE1 -   TYR16   HA    d: 4.71 +/- 0.13, weight: 0.5
      TYR16  HE2 -   TYR16   HA

      TYR16  HE1 -   TYR16   HA    d: 4.71 +/- 0.13, weight: 0.5
      TYR16  HE2 -   TYR16   HA

ref_spec: eng, ref_peak: 315, id: 314, d: 3.23, u: 7.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HE1 -   ILE11   HA    d: 3.10 +/- 0.47, weight: 0.5
      TYR16  HE2 -   ILE11   HA

      TYR16  HE1 -   ILE11   HA    d: 3.11 +/- 0.47, weight: 0.5
      TYR16  HE2 -   ILE11   HA

ref_spec: eng, ref_peak: 316, id: 315, d: 4.22, u: 12.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HE1 -   GLY10  HA3    d: 5.37 +/- 0.86, weight: 0.5
      TYR16  HE2 -   GLY10  HA3

      TYR16  HE1 -   GLY10  HA3    d: 5.36 +/- 0.89, weight: 0.5
      TYR16  HE2 -   GLY10  HA3

ref_spec: eng, ref_peak: 317, id: 316, d: 2.94, u: 4.88, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HE1 -   LYS12  HB3    d: 4.11 +/- 1.06, weight: 0.5
      TYR16  HE2 -   LYS12  HB3

      TYR16  HE1 -   LYS12  HB3    d: 4.25 +/- 1.01, weight: 0.4
      TYR16  HE2 -   LYS12  HB3

ref_spec: eng, ref_peak: 318, id: 317, d: 5.27, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HE1 -   LEU48    H    d: 6.57 +/- 0.05, weight: 0.3
      TYR47  HE2 -   LEU48    H

      TYR47  HE1 -   LYS45    H    d: 7.44 +/- 0.16, weight: 0.1
      TYR47  HE2 -   LYS45    H

      TYR47  HE1 -   LYS45    H    d: 7.45 +/- 0.15, weight: 0.1
      TYR47  HE2 -   LYS45    H

      TYR47  HE1 -   LEU48    H    d: 6.57 +/- 0.05, weight: 0.3
      TYR47  HE2 -   LEU48    H

ref_spec: eng, ref_peak: 320, id: 319, d: 4.29, u: 4.43, u_viol: 0.09, %_viol: 10.0, viol: no, reliable: no, a_type: A
      TYR47  HE1 -   HIS51  HE1    d: 5.20 +/- 0.56, weight: 0.4
      TYR47  HE2 -   HIS51  HE1

      TYR47  HE1 -   HIS51  HE1    d: 5.20 +/- 0.56, weight: 0.4
      TYR47  HE2 -   HIS51  HE1

      TYR47  HE1 -   HIS51    H    d: 7.06 +/- 0.16, weight: 0.1
      TYR47  HE2 -   HIS51    H

ref_spec: eng, ref_peak: 321, id: 320, d: 5.47, u: 6.24, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HE1 -   VAL39   HA    d: 5.60 +/- 0.41, weight: 0.5
      TYR47  HE2 -   VAL39   HA

      TYR47  HE1 -   VAL39   HA    d: 5.60 +/- 0.41, weight: 0.5
      TYR47  HE2 -   VAL39   HA

ref_spec: eng, ref_peak: 322, id: 321, d: 5.49, u: 7.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HE1 -   ILE44   HA    d: 6.43 +/- 0.13, weight: 0.4
      TYR47  HE2 -   ILE44   HA

      TYR47  HE1 -   ILE44   HA    d: 6.43 +/- 0.13, weight: 0.4
      TYR47  HE2 -   ILE44   HA

ref_spec: eng, ref_peak: 323, id: 322, d: 5.05, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HE1 -   LEU42  HB3    d: 4.55 +/- 0.17, weight: 0.5
      TYR47  HE2 -   LEU42  HB3

      TYR47  HE1 -   LEU42  HB3    d: 4.60 +/- 0.23, weight: 0.5
      TYR47  HE2 -   LEU42  HB3

ref_spec: eng, ref_peak: 324, id: 323, d: 5.46, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HE1 -   ALA43  HB1    d: 6.22 +/- 0.25, weight: 0.4
      TYR47  HE1 -   ALA43  HB2
      TYR47  HE1 -   ALA43  HB3
      TYR47  HE2 -   ALA43  HB1
      TYR47  HE2 -   ALA43  HB2
      TYR47  HE2 -   ALA43  HB3

      TYR47  HE1 -   ALA43  HB1    d: 6.21 +/- 0.25, weight: 0.4
      TYR47  HE1 -   ALA43  HB2
      TYR47  HE1 -   ALA43  HB3
      TYR47  HE2 -   ALA43  HB1
      TYR47  HE2 -   ALA43  HB2
      TYR47  HE2 -   ALA43  HB3

ref_spec: eng, ref_peak: 325, id: 324, d: 5.71, u: 6.00, u_viol: 0.30, %_viol: 25.0, viol: no, reliable: no, a_type: A
      TYR47  HE1 -   ILE28 HG21    d: 5.48 +/- 0.50, weight: 0.4
      TYR47  HE1 -   ILE28 HG22
      TYR47  HE1 -   ILE28 HG23
      TYR47  HE2 -   ILE28 HG21
      TYR47  HE2 -   ILE28 HG22
      TYR47  HE2 -   ILE28 HG23

      TYR47  HE1 -   ILE28 HG21    d: 5.48 +/- 0.51, weight: 0.4
      TYR47  HE1 -   ILE28 HG22
      TYR47  HE1 -   ILE28 HG23
      TYR47  HE2 -   ILE28 HG21
      TYR47  HE2 -   ILE28 HG22
      TYR47  HE2 -   ILE28 HG23

ref_spec: eng, ref_peak: 326, id: 325, d: 6.32, u: 6.00, u_viol: 0.54, %_viol: 70.0, viol: yes, reliable: no, a_type: A
      TYR47  HE1 -   ILE28 HD11    d: 5.97 +/- 1.02, weight: 0.5
      TYR47  HE1 -   ILE28 HD12
      TYR47  HE1 -   ILE28 HD13
      TYR47  HE2 -   ILE28 HD11
      TYR47  HE2 -   ILE28 HD12
      TYR47  HE2 -   ILE28 HD13

      TYR47  HE1 -   ILE28 HD11    d: 5.98 +/- 1.02, weight: 0.5
      TYR47  HE1 -   ILE28 HD12
      TYR47  HE1 -   ILE28 HD13
      TYR47  HE2 -   ILE28 HD11
      TYR47  HE2 -   ILE28 HD12
      TYR47  HE2 -   ILE28 HD13

ref_spec: eng, ref_peak: 327, id: 326, d: 2.13, u: 4.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13   HA -   GLY14    H    d: 2.32 +/- 0.13, weight: 0.5

      LEU13   HA -   GLY14    H    d: 2.31 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 328, id: 327, d: 2.47, u: 3.96, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5   HA -    TYR5    H    d: 2.67 +/- 0.31, weight: 0.5

       TYR5   HA -    TYR5    H    d: 2.67 +/- 0.31, weight: 0.5

ref_spec: eng, ref_peak: 329, id: 328, d: 2.91, u: 3.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5   HA -    LYS6    H    d: 3.32 +/- 0.44, weight: 0.5

       TYR5   HA -    LYS6    H    d: 3.32 +/- 0.44, weight: 0.5

ref_spec: eng, ref_peak: 330, id: 329, d: 3.15, u: 5.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5   HA -    TYR5  HD1    d: 3.32 +/- 0.43, weight: 0.5
       TYR5   HA -    TYR5  HD2

       TYR5   HA -    TYR5  HD1    d: 3.32 +/- 0.43, weight: 0.5
       TYR5   HA -    TYR5  HD2

ref_spec: eng, ref_peak: 331, id: 330, d: 2.46, u: 4.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4   HA -    TYR5    H    d: 2.97 +/- 0.58, weight: 0.5

       PRO4   HA -    TYR5    H    d: 2.97 +/- 0.58, weight: 0.5

ref_spec: eng, ref_peak: 332, id: 331, d: 4.49, u: 6.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33   HA -   LYS30  HB3    d: 5.61 +/- 0.06, weight: 0.2

      ASN33   HA -   LYS32  HB3    d: 5.39 +/- 0.24, weight: 0.3

      ASN33   HA -   LYS30  HB3    d: 5.61 +/- 0.06, weight: 0.2

      ASN33   HA -   LYS32  HB3    d: 5.44 +/- 0.24, weight: 0.3

ref_spec: eng, ref_peak: 333, id: 332, d: 2.67, u: 4.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33   HA -   LEU34    H    d: 2.83 +/- 0.03, weight: 0.5

      ASN33   HA -   LEU34    H    d: 2.83 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 334, id: 333, d: 2.02, u: 4.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33   HA -   ASN33    H    d: 2.26 +/- 0.00, weight: 0.5

      ASN33   HA -   ASN33    H    d: 2.26 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 335, id: 334, d: 2.37, u: 4.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33   HA -   ASN33  HB3    d: 2.99 +/- 0.11, weight: 0.5

      ASN33   HA -   ASN33  HB3    d: 2.99 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 336, id: 335, d: 2.03, u: 4.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11   HA -   LYS12    H    d: 2.31 +/- 0.09, weight: 0.5

      ILE11   HA -   LYS12    H    d: 2.31 +/- 0.09, weight: 0.5

ref_spec: eng, ref_peak: 337, id: 336, d: 6.49, u: 7.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11   HA -   LEU13  HB2    d: 7.60 +/- 0.70, weight: 0.5

      ILE11   HA -   LEU13  HB2    d: 7.67 +/- 0.73, weight: 0.5

ref_spec: eng, ref_peak: 338, id: 337, d: 2.99, u: 6.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11   HA -   ILE11 HG12    d: 3.26 +/- 0.64, weight: 0.5

      ILE11   HA -   ILE11 HG12    d: 3.28 +/- 0.61, weight: 0.5

ref_spec: eng, ref_peak: 339, id: 338, d: 2.62, u: 4.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11   HA -   ILE11 HD11    d: 3.55 +/- 0.62, weight: 0.5
      ILE11   HA -   ILE11 HD12
      ILE11   HA -   ILE11 HD13

      ILE11   HA -   ILE11 HD11    d: 3.55 +/- 0.62, weight: 0.5
      ILE11   HA -   ILE11 HD12
      ILE11   HA -   ILE11 HD13

ref_spec: eng, ref_peak: 340, id: 339, d: 2.62, u: 4.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HA -   VAL15    H    d: 2.94 +/- 0.01, weight: 0.5

      VAL15   HA -   VAL15    H    d: 2.94 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 341, id: 340, d: 2.38, u: 3.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23   HA -   ASP23  HB3    d: 2.98 +/- 0.10, weight: 0.5

      ASP23   HA -   ASP23  HB3    d: 2.98 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 342, id: 341, d: 2.69, u: 4.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HA -   VAL15   HB    d: 2.87 +/- 0.23, weight: 0.5

      VAL15   HA -   VAL15   HB    d: 2.87 +/- 0.23, weight: 0.5

ref_spec: eng, ref_peak: 343, id: 342, d: 2.45, u: 5.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HA -   VAL15 HG11    d: 2.96 +/- 0.42, weight: 0.5
      VAL15   HA -   VAL15 HG12
      VAL15   HA -   VAL15 HG13

      VAL15   HA -   VAL15 HG11    d: 2.96 +/- 0.42, weight: 0.5
      VAL15   HA -   VAL15 HG12
      VAL15   HA -   VAL15 HG13

ref_spec: eng, ref_peak: 344, id: 343, d: 2.50, u: 4.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23   HA -   ASP23    H    d: 2.78 +/- 0.01, weight: 0.5

      ASP23   HA -   ASP23    H    d: 2.78 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 345, id: 344, d: 4.58, u: 7.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HA -   TYR16  HD1    d: 5.23 +/- 0.73, weight: 0.5
      VAL15   HA -   TYR16  HD2

      VAL15   HA -   TYR16  HD1    d: 5.23 +/- 0.73, weight: 0.5
      VAL15   HA -   TYR16  HD2

ref_spec: eng, ref_peak: 346, id: 345, d: 5.05, u: 6.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18   HA -   TRP21  HB2    d: 6.45 +/- 0.75, weight: 0.4

      PRO18   HA -   TRP21  HB2    d: 6.21 +/- 0.80, weight: 0.5

ref_spec: eng, ref_peak: 347, id: 346, d: 4.58, u: 5.17, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23   HA -   MET26  HG3    d: 4.92 +/- 0.08, weight: 0.5

      ASP23   HA -   MET26  HG3    d: 5.00 +/- 0.33, weight: 0.5

ref_spec: eng, ref_peak: 348, id: 347, d: 3.48, u: 3.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23   HA -   MET26  HB2    d: 4.22 +/- 0.08, weight: 0.5

      ASP23   HA -   MET26  HB2    d: 4.22 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 349, id: 348, d: 3.79, u: 4.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18   HA -   GLU20    H    d: 3.73 +/- 0.07, weight: 0.5

      PRO18   HA -   GLU20    H    d: 3.73 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 350, id: 349, d: 3.59, u: 6.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38   HA -   ARG41    H    d: 4.08 +/- 0.16, weight: 0.5

      ASP38   HA -   ARG41    H    d: 4.08 +/- 0.15, weight: 0.5

ref_spec: eng, ref_peak: 351, id: 350, d: 2.26, u: 4.75, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38   HA -   ASP38  HB3    d: 2.72 +/- 0.02, weight: 0.5

      ASP38   HA -   ASP38  HB3    d: 2.72 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 352, id: 351, d: 3.13, u: 4.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47   HA -   LEU48    H    d: 3.54 +/- 0.01, weight: 0.5

      TYR47   HA -   LEU48    H    d: 3.54 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 353, id: 352, d: 2.60, u: 4.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32   HA -   LYS32    H    d: 2.92 +/- 0.00, weight: 0.5

      LYS32   HA -   LYS32    H    d: 2.92 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 354, id: 353, d: 2.50, u: 4.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47   HA -   TYR47    H    d: 2.80 +/- 0.01, weight: 0.5

      TYR47   HA -   TYR47    H    d: 2.80 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 355, id: 354, d: 2.88, u: 4.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47   HA -   TYR47  HD1    d: 3.48 +/- 0.05, weight: 0.5
      TYR47   HA -   TYR47  HD2

      TYR47   HA -   TYR47  HD1    d: 3.48 +/- 0.05, weight: 0.5
      TYR47   HA -   TYR47  HD2

ref_spec: eng, ref_peak: 356, id: 355, d: 4.60, u: 6.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47   HA -   TYR47  HE1    d: 5.20 +/- 0.02, weight: 0.5
      TYR47   HA -   TYR47  HE2

      TYR47   HA -   TYR47  HE1    d: 5.20 +/- 0.02, weight: 0.5
      TYR47   HA -   TYR47  HE2

ref_spec: eng, ref_peak: 357, id: 356, d: 3.07, u: 4.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47   HA -   ASN50  HB3    d: 4.11 +/- 0.85, weight: 0.5

      TYR47   HA -   ASN50  HB3    d: 4.05 +/- 0.81, weight: 0.5

ref_spec: eng, ref_peak: 358, id: 357, d: 2.49, u: 4.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49   HA -   ASP49    H    d: 2.82 +/- 0.01, weight: 0.5

      ASP49   HA -   ASP49    H    d: 2.82 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 359, id: 358, d: 2.57, u: 4.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54   HA -   GLN54  HB2    d: 2.67 +/- 0.26, weight: 0.5

      GLN54   HA -   GLN54  HB2    d: 2.61 +/- 0.24, weight: 0.5

ref_spec: eng, ref_peak: 360, id: 359, d: 3.15, u: 4.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20   HA -   ASP23    H    d: 3.78 +/- 0.14, weight: 0.5

      GLU20   HA -   ASP23    H    d: 3.78 +/- 0.14, weight: 0.5

ref_spec: eng, ref_peak: 361, id: 360, d: 4.66, u: 7.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20   HA -   TRP21  HD1    d: 4.46 +/- 0.13, weight: 0.5

      GLU20   HA -   TRP21  HD1    d: 4.45 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 362, id: 361, d: 2.62, u: 3.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20   HA -   ASP23  HB2    d: 4.33 +/- 0.38, weight: 0.5

      GLU20   HA -   ASP23  HB2    d: 4.32 +/- 0.34, weight: 0.5

ref_spec: eng, ref_peak: 363, id: 362, d: 2.34, u: 3.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20   HA -   GLU20  HB2    d: 2.62 +/- 0.01, weight: 0.5
      GLU20   HA -   GLU20  HB3

      GLU20   HA -   GLU20  HB2    d: 2.62 +/- 0.01, weight: 0.5
      GLU20   HA -   GLU20  HB3

ref_spec: eng, ref_peak: 364, id: 363, d: 3.11, u: 3.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53   HA -   GLN54    H    d: 3.12 +/- 0.52, weight: 0.5

      LYS53   HA -   GLN54    H    d: 3.12 +/- 0.52, weight: 0.5

ref_spec: eng, ref_peak: 365, id: 364, d: 2.60, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53   HA -   LYS53    H    d: 2.80 +/- 0.25, weight: 0.5

      LYS53   HA -   LYS53    H    d: 2.80 +/- 0.26, weight: 0.5

ref_spec: eng, ref_peak: 366, id: 365, d: 4.72, u: 5.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24   HA -   ASP23    H    d: 5.49 +/- 0.01, weight: 0.4

      ARG24   HA -   ASP23    H    d: 5.49 +/- 0.01, weight: 0.4

ref_spec: eng, ref_peak: 367, id: 366, d: 3.07, u: 3.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26   HA -   MET26  HG3    d: 3.28 +/- 0.15, weight: 0.5

      MET26   HA -   MET26  HG3    d: 3.29 +/- 0.24, weight: 0.5

ref_spec: eng, ref_peak: 368, id: 367, d: 2.63, u: 3.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24   HA -   GLU27  HB2    d: 2.81 +/- 0.21, weight: 0.5

      ARG24   HA -   GLU27  HB2    d: 2.82 +/- 0.22, weight: 0.5

ref_spec: eng, ref_peak: 369, id: 368, d: 2.59, u: 3.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26   HA -   MET26  HB2    d: 3.01 +/- 0.00, weight: 0.5

      MET26   HA -   MET26  HB2    d: 3.01 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 370, id: 369, d: 2.81, u: 5.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24   HA -   GLU27    H    d: 3.57 +/- 0.05, weight: 0.2

      MET26   HA -   GLU27    H    d: 3.49 +/- 0.01, weight: 0.3

      ARG24   HA -   GLU27    H    d: 3.57 +/- 0.04, weight: 0.2

      MET26   HA -   GLU27    H    d: 3.49 +/- 0.01, weight: 0.3

ref_spec: eng, ref_peak: 371, id: 370, d: 3.05, u: 3.00, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30   HA -   GLU31    H    d: 3.52 +/- 0.01, weight: 0.4

      LYS30   HA -   GLU31    H    d: 3.52 +/- 0.01, weight: 0.4

ref_spec: eng, ref_peak: 372, id: 371, d: 2.57, u: 3.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30   HA -   LYS30    H    d: 2.92 +/- 0.00, weight: 0.5

      LYS30   HA -   LYS30    H    d: 2.92 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 373, id: 372, d: 2.19, u: 3.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30   HA -   LYS30  HB2    d: 2.44 +/- 0.03, weight: 0.5

      LYS30   HA -   LYS30  HB2    d: 2.44 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 374, id: 373, d: 4.19, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30   HA -   ALA29  HB1    d: 4.77 +/- 0.01, weight: 0.5
      LYS30   HA -   ALA29  HB2
      LYS30   HA -   ALA29  HB3

      LYS30   HA -   ALA29  HB1    d: 4.77 +/- 0.01, weight: 0.5
      LYS30   HA -   ALA29  HB2
      LYS30   HA -   ALA29  HB3

ref_spec: eng, ref_peak: 375, id: 374, d: 3.18, u: 5.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27   HA -   ILE28    H    d: 3.53 +/- 0.01, weight: 0.5

      GLU27   HA -   ILE28    H    d: 3.53 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 376, id: 375, d: 2.41, u: 3.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27   HA -   GLU27  HB3    d: 2.74 +/- 0.30, weight: 0.5

      GLU27   HA -   GLU27  HB3    d: 2.74 +/- 0.29, weight: 0.5

ref_spec: eng, ref_peak: 377, id: 376, d: 3.87, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27   HA -   MET26  HB2    d: 4.12 +/- 0.02, weight: 0.5

      GLU27   HA -   MET26  HB2    d: 4.12 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 378, id: 377, d: 2.49, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6   HA -    LYS6    H    d: 2.79 +/- 0.26, weight: 0.5

       LYS6   HA -    LYS6    H    d: 2.79 +/- 0.26, weight: 0.5

ref_spec: eng, ref_peak: 379, id: 378, d: 2.80, u: 4.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA3 -   ILE11    H    d: 3.12 +/- 0.19, weight: 0.5

      GLY10  HA3 -   ILE11    H    d: 3.13 +/- 0.18, weight: 0.5

ref_spec: eng, ref_peak: 380, id: 379, d: 1.57, u: 2.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA3 -   GLY10  HA2    d: 1.76 +/- 0.00, weight: 0.5

      GLY10  HA3 -   GLY10  HA2    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 381, id: 380, d: 3.70, u: 3.60, u_viol: 0.10, %_viol: 55.0, viol: no, reliable: no, a_type: A
      GLU31   HA -   LYS30  HB3    d: 4.13 +/- 0.02, weight: 0.5

      GLU31   HA -   LYS30  HB3    d: 4.14 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 382, id: 381, d: 4.79, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37   HA -   LEU36    H    d: 5.27 +/- 0.02, weight: 0.5

      SER37   HA -   LEU36    H    d: 5.27 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 383, id: 382, d: 2.29, u: 5.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37   HA -   SER37  HB2    d: 2.53 +/- 0.08, weight: 0.5
      SER37   HA -   SER37  HB3

      SER37   HA -   SER37  HB2    d: 2.53 +/- 0.08, weight: 0.5
      SER37   HA -   SER37  HB3

ref_spec: eng, ref_peak: 384, id: 383, d: 4.60, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37   HA -   LEU36 HD21    d: 4.78 +/- 0.24, weight: 0.5
      SER37   HA -   LEU36 HD22
      SER37   HA -   LEU36 HD23

      SER37   HA -   LEU36 HD21    d: 4.78 +/- 0.24, weight: 0.5
      SER37   HA -   LEU36 HD22
      SER37   HA -   LEU36 HD23

ref_spec: eng, ref_peak: 385, id: 384, d: 2.91, u: 3.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HA -   LYS45    H    d: 3.01 +/- 0.04, weight: 0.5

      LEU42   HA -   LYS45    H    d: 3.01 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 386, id: 385, d: 2.53, u: 3.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HA -   LEU42    H    d: 2.84 +/- 0.01, weight: 0.5

      LEU42   HA -   LEU42    H    d: 2.84 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 387, id: 386, d: 5.98, u: 6.45, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HA -   TYR47  HE1    d: 6.42 +/- 0.16, weight: 0.5
      LEU42   HA -   TYR47  HE2

      LEU42   HA -   TYR47  HE1    d: 6.41 +/- 0.17, weight: 0.5
      LEU42   HA -   TYR47  HE2

ref_spec: eng, ref_peak: 388, id: 387, d: 4.91, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HA -   VAL39   HA    d: 5.45 +/- 0.10, weight: 0.5

      LEU42   HA -   VAL39   HA    d: 5.45 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 389, id: 388, d: 2.13, u: 2.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HA -   LEU42 HD21    d: 2.84 +/- 0.57, weight: 0.5
      LEU42   HA -   LEU42 HD22
      LEU42   HA -   LEU42 HD23

      LEU42   HA -   LEU42 HD21    d: 2.84 +/- 0.57, weight: 0.5
      LEU42   HA -   LEU42 HD22
      LEU42   HA -   LEU42 HD23

ref_spec: eng, ref_peak: 390, id: 389, d: 3.15, u: 4.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41   HA -   LEU42    H    d: 3.59 +/- 0.01, weight: 0.5

      ARG41   HA -   LEU42    H    d: 3.59 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 393, id: 392, d: 1.97, u: 4.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41   HA -   ILE44 HG13    d: 2.23 +/- 0.20, weight: 0.5

      ARG41   HA -   ILE44 HG13    d: 2.24 +/- 0.23, weight: 0.5

ref_spec: eng, ref_peak: 394, id: 393, d: 2.87, u: 3.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46   HA -   ASP49    H    d: 3.06 +/- 0.07, weight: 0.5

      GLU46   HA -   ASP49    H    d: 3.06 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 395, id: 394, d: 3.82, u: 3.80, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46   HA -   ASN50    H    d: 4.04 +/- 0.15, weight: 0.5

      GLU46   HA -   ASN50    H    d: 4.03 +/- 0.15, weight: 0.5

ref_spec: eng, ref_peak: 396, id: 395, d: 2.80, u: 3.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46   HA -   GLU46  HG2    d: 3.20 +/- 0.24, weight: 0.5

      GLU46   HA -   GLU46  HG2    d: 3.15 +/- 0.17, weight: 0.5

ref_spec: eng, ref_peak: 397, id: 396, d: 2.47, u: 3.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HA -   LEU36    H    d: 2.79 +/- 0.01, weight: 0.5

      LEU36   HA -   LEU36    H    d: 2.79 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 398, id: 397, d: 2.16, u: 3.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HA -   LEU36  HB3    d: 2.51 +/- 0.09, weight: 0.5

      LEU36   HA -   LEU36  HB3    d: 2.54 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 399, id: 398, d: 2.89, u: 3.08, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HA -   VAL39 HG21    d: 3.48 +/- 0.19, weight: 0.5
      LEU36   HA -   VAL39 HG22
      LEU36   HA -   VAL39 HG23

      LEU36   HA -   VAL39 HG21    d: 3.48 +/- 0.19, weight: 0.5
      LEU36   HA -   VAL39 HG22
      LEU36   HA -   VAL39 HG23

ref_spec: eng, ref_peak: 400, id: 399, d: 4.31, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HA -   LEU36 HD11    d: 4.83 +/- 0.29, weight: 0.5
      LEU36   HA -   LEU36 HD12
      LEU36   HA -   LEU36 HD13

      LEU36   HA -   LEU36 HD11    d: 4.83 +/- 0.29, weight: 0.5
      LEU36   HA -   LEU36 HD12
      LEU36   HA -   LEU36 HD13

ref_spec: eng, ref_peak: 401, id: 400, d: 4.55, u: 6.24, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22   HA -   TRP21    H    d: 4.93 +/- 0.03, weight: 0.5

      HIS22   HA -   TRP21    H    d: 4.93 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 402, id: 401, d: 3.25, u: 4.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22   HA -   HIS22  HD2    d: 3.43 +/- 0.19, weight: 0.5

      HIS22   HA -   HIS22  HD2    d: 3.43 +/- 0.19, weight: 0.5

ref_spec: eng, ref_peak: 403, id: 402, d: 2.45, u: 4.24, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22   HA -   HIS22  HB3    d: 2.76 +/- 0.18, weight: 0.5

      HIS22   HA -   HIS22  HB3    d: 2.72 +/- 0.16, weight: 0.5

ref_spec: eng, ref_peak: 404, id: 403, d: 2.20, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HD3 -    ARG3   HA    d: 2.61 +/- 0.30, weight: 0.5

       PRO4  HD3 -    ARG3   HA    d: 2.65 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 405, id: 404, d: 2.20, u: 3.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HD3 -    PRO4  HG2    d: 2.48 +/- 0.03, weight: 0.5
       PRO4  HD3 -    PRO4  HG3

       PRO4  HD3 -    PRO4  HG2    d: 2.49 +/- 0.03, weight: 0.5
       PRO4  HD3 -    PRO4  HG3

ref_spec: eng, ref_peak: 406, id: 405, d: 3.35, u: 4.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HD3 -    PRO4  HB2    d: 3.80 +/- 0.37, weight: 0.5

       PRO4  HD3 -    PRO4  HB2    d: 3.68 +/- 0.42, weight: 0.5

ref_spec: eng, ref_peak: 407, id: 406, d: 2.95, u: 6.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB3 -   HIS22  HD2    d: 3.51 +/- 0.52, weight: 0.6

      HIS22  HB3 -   HIS22  HD2    d: 3.68 +/- 0.45, weight: 0.4

ref_spec: eng, ref_peak: 408, id: 407, d: 2.40, u: 3.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22    H -   HIS22  HB3    d: 3.00 +/- 0.67, weight: 0.6

      HIS22    H -   HIS22  HB3    d: 3.20 +/- 0.60, weight: 0.4

ref_spec: eng, ref_peak: 409, id: 408, d: 3.97, u: 4.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40   HA -   LEU42    H    d: 4.66 +/- 0.11, weight: 0.5

      CYS40   HA -   LEU42    H    d: 4.67 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 410, id: 409, d: 4.19, u: 5.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB3 -   TRP21    H    d: 5.30 +/- 0.72, weight: 0.3

      CYS40   HA -   TRP21  HH2    d: 6.72 +/- 0.38, weight: 0.1

      HIS22  HB3 -   TRP21    H    d: 5.06 +/- 0.80, weight: 0.4

ref_spec: eng, ref_peak: 411, id: 410, d: 5.61, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40   HA -   LEU42   HA    d: 6.67 +/- 0.03, weight: 0.4

      CYS40   HA -   LEU42   HA    d: 7.83 +/- 0.11, weight: 0.1

      CYS40   HA -   LEU42   HA    d: 6.67 +/- 0.03, weight: 0.4

ref_spec: eng, ref_peak: 412, id: 411, d: 3.88, u: 9.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40   HA -   ILE44   HA    d: 4.36 +/- 0.10, weight: 0.5

      CYS40   HA -   ILE44   HA    d: 4.37 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 413, id: 412, d: 2.44, u: 3.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40   HA -   ILE44 HD11    d: 2.51 +/- 0.10, weight: 0.5
      CYS40   HA -   ILE44 HD12
      CYS40   HA -   ILE44 HD13

      CYS40   HA -   ILE44 HD11    d: 2.50 +/- 0.10, weight: 0.5
      CYS40   HA -   ILE44 HD12
      CYS40   HA -   ILE44 HD13

ref_spec: eng, ref_peak: 414, id: 413, d: 3.14, u: 4.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19   HA -   GLU20    H    d: 3.46 +/- 0.01, weight: 0.5

      GLN19   HA -   GLU20    H    d: 3.46 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 415, id: 414, d: 2.52, u: 3.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19   HA -   GLN19    H    d: 2.80 +/- 0.01, weight: 0.5

      GLN19   HA -   GLN19    H    d: 2.80 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 416, id: 415, d: 4.29, u: 7.22, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19   HA -   GLN19 HE21    d: 5.04 +/- 0.45, weight: 0.5

      GLN19   HA -   GLN19 HE21    d: 5.02 +/- 0.45, weight: 0.5

ref_spec: eng, ref_peak: 417, id: 416, d: 3.77, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19   HA -   PRO18   HA    d: 4.32 +/- 0.01, weight: 0.5

      GLN19   HA -   PRO18   HA    d: 4.32 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 418, id: 417, d: 3.15, u: 4.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19   HA -   ILE11 HG13    d: 4.12 +/- 0.93, weight: 0.5

      GLN19   HA -   ILE11 HG13    d: 4.17 +/- 0.90, weight: 0.5

ref_spec: eng, ref_peak: 419, id: 418, d: 3.68, u: 3.48, u_viol: 0.63, %_viol: 75.0, viol: no, reliable: no, a_type: A
      GLN19   HA -   ILE11 HD11    d: 3.53 +/- 0.66, weight: 0.5
      GLN19   HA -   ILE11 HD12
      GLN19   HA -   ILE11 HD13

      GLN19   HA -   ILE11 HD11    d: 3.53 +/- 0.65, weight: 0.5
      GLN19   HA -   ILE11 HD12
      GLN19   HA -   ILE11 HD13

ref_spec: eng, ref_peak: 420, id: 419, d: 3.13, u: 3.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48   HA -   ASP49    H    d: 3.47 +/- 0.01, weight: 0.5

      LEU48   HA -   ASP49    H    d: 3.47 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 421, id: 420, d: 2.52, u: 3.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48   HA -   LEU48    H    d: 2.84 +/- 0.00, weight: 0.5

      LEU48   HA -   LEU48    H    d: 2.84 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 422, id: 421, d: 4.93, u: 4.90, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48   HA -   ASP49  HB3    d: 5.65 +/- 0.07, weight: 0.4

      LEU48   HA -   GLU46  HG3    d: 7.46 +/- 0.66, weight: 0.1

      LEU48   HA -   ASP49  HB3    d: 5.65 +/- 0.07, weight: 0.4

ref_spec: eng, ref_peak: 423, id: 422, d: 2.28, u: 2.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48   HA -   LEU48 HD21    d: 2.59 +/- 0.04, weight: 0.5
      LEU48   HA -   LEU48 HD22
      LEU48   HA -   LEU48 HD23

      LEU48   HA -   LEU48 HD21    d: 2.59 +/- 0.04, weight: 0.5
      LEU48   HA -   LEU48 HD22
      LEU48   HA -   LEU48 HD23

ref_spec: eng, ref_peak: 424, id: 423, d: 4.16, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48   HA -   LEU48 HD11    d: 4.65 +/- 0.02, weight: 0.5
      LEU48   HA -   LEU48 HD12
      LEU48   HA -   LEU48 HD13

      LEU48   HA -   LEU48 HD11    d: 4.65 +/- 0.02, weight: 0.5
      LEU48   HA -   LEU48 HD12
      LEU48   HA -   LEU48 HD13

ref_spec: eng, ref_peak: 425, id: 424, d: 3.11, u: 3.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   ILE44    H    d: 3.56 +/- 0.01, weight: 0.5

      ALA43   HA -   ILE44    H    d: 3.55 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 426, id: 425, d: 2.53, u: 3.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   ALA43    H    d: 2.83 +/- 0.00, weight: 0.5

      ALA43   HA -   ALA43    H    d: 2.83 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 427, id: 426, d: 2.43, u: 3.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   TYR47  HD1    d: 2.35 +/- 0.09, weight: 0.5
      ALA43   HA -   TYR47  HD2

      ALA43   HA -   TYR47  HD1    d: 2.35 +/- 0.10, weight: 0.5
      ALA43   HA -   TYR47  HD2

ref_spec: eng, ref_peak: 428, id: 427, d: 3.80, u: 4.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   TYR47  HE1    d: 4.26 +/- 0.18, weight: 0.5
      ALA43   HA -   TYR47  HE2

      ALA43   HA -   TYR47  HE1    d: 4.25 +/- 0.18, weight: 0.5
      ALA43   HA -   TYR47  HE2

ref_spec: eng, ref_peak: 429, id: 428, d: 3.06, u: 4.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   TYR47  HB2    d: 3.70 +/- 0.78, weight: 0.6

      ALA43   HA -   TYR47  HB2    d: 4.17 +/- 0.74, weight: 0.3

ref_spec: eng, ref_peak: 430, id: 429, d: 2.99, u: 3.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   GLU46  HB2    d: 2.91 +/- 0.15, weight: 0.5
      ALA43   HA -   GLU46  HB3

      ALA43   HA -   GLU46  HB2    d: 2.92 +/- 0.15, weight: 0.5
      ALA43   HA -   GLU46  HB3

ref_spec: eng, ref_peak: 431, id: 430, d: 2.25, u: 2.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   ALA43  HB1    d: 2.54 +/- 0.00, weight: 0.5
      ALA43   HA -   ALA43  HB2
      ALA43   HA -   ALA43  HB3

      ALA43   HA -   ALA43  HB1    d: 2.54 +/- 0.00, weight: 0.5
      ALA43   HA -   ALA43  HB2
      ALA43   HA -   ALA43  HB3

ref_spec: eng, ref_peak: 432, id: 431, d: 4.09, u: 4.11, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   TYR47   HA    d: 4.83 +/- 0.06, weight: 0.4

      ALA43   HA -   TYR47   HA    d: 4.83 +/- 0.06, weight: 0.4

ref_spec: eng, ref_peak: 433, id: 432, d: 2.87, u: 4.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HA -   GLU31    H    d: 3.02 +/- 0.03, weight: 0.5

      ILE28   HA -   GLU31    H    d: 3.02 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 434, id: 433, d: 4.12, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HA -   GLU27   HA    d: 4.78 +/- 0.01, weight: 0.4

      ILE28   HA -   GLU27   HA    d: 4.78 +/- 0.01, weight: 0.4

ref_spec: eng, ref_peak: 435, id: 434, d: 4.39, u: 4.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA2 -    ASN9  HB2    d: 4.91 +/- 0.24, weight: 0.4
      GLY10  HA2 -    ASN9  HB3

      GLY10  HA2 -    ASN9  HB2    d: 4.91 +/- 0.24, weight: 0.4
      GLY10  HA2 -    ASN9  HB3

      ALA29   HA -   ASP38  HB2    d: 6.12 +/- 0.09, weight: 0.1

ref_spec: eng, ref_peak: 436, id: 435, d: 2.70, u: 3.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HA -   GLU31  HB2    d: 3.36 +/- 0.64, weight: 0.4

      ILE28   HA -   GLU31  HB2    d: 3.18 +/- 0.50, weight: 0.5

ref_spec: eng, ref_peak: 437, id: 436, d: 2.37, u: 4.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HA -   ILE28 HG13    d: 3.20 +/- 0.41, weight: 0.5

      ILE28   HA -   ILE28 HG13    d: 3.20 +/- 0.41, weight: 0.5

ref_spec: eng, ref_peak: 438, id: 437, d: 4.11, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HA -   ILE28 HD11    d: 4.44 +/- 0.75, weight: 0.5
      ILE28   HA -   ILE28 HD12
      ILE28   HA -   ILE28 HD13

      ILE28   HA -   ILE28 HD11    d: 4.44 +/- 0.75, weight: 0.5
      ILE28   HA -   ILE28 HD12
      ILE28   HA -   ILE28 HD13

ref_spec: eng, ref_peak: 439, id: 438, d: 2.81, u: 3.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29   HA -   LEU34    H    d: 2.76 +/- 0.05, weight: 0.5

      ALA29   HA -   LEU34    H    d: 2.76 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 440, id: 439, d: 2.51, u: 3.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29   HA -   ALA29    H    d: 2.81 +/- 0.00, weight: 0.5

      ALA29   HA -   ALA29    H    d: 2.81 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 441, id: 440, d: 3.09, u: 3.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29   HA -   LYS30    H    d: 3.41 +/- 0.01, weight: 0.5

      ALA29   HA -   LYS30    H    d: 3.41 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 442, id: 441, d: 4.63, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29   HA -   LEU34   HA    d: 4.87 +/- 0.04, weight: 0.5

      ALA29   HA -   LEU34   HA    d: 4.87 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 443, id: 442, d: 4.14, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA2 -   ILE17   HA    d: 3.73 +/- 0.35, weight: 0.5

      GLY10  HA2 -   ILE17   HA    d: 3.73 +/- 0.23, weight: 0.5

ref_spec: eng, ref_peak: 444, id: 443, d: 2.27, u: 2.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29   HA -   ALA29  HB1    d: 2.53 +/- 0.00, weight: 0.5
      ALA29   HA -   ALA29  HB2
      ALA29   HA -   ALA29  HB3

      ALA29   HA -   ALA29  HB1    d: 2.53 +/- 0.00, weight: 0.5
      ALA29   HA -   ALA29  HB2
      ALA29   HA -   ALA29  HB3

ref_spec: eng, ref_peak: 445, id: 444, d: 3.94, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29   HA -   VAL39 HG21    d: 3.76 +/- 0.13, weight: 0.5
      ALA29   HA -   VAL39 HG22
      ALA29   HA -   VAL39 HG23

      ALA29   HA -   VAL39 HG21    d: 3.76 +/- 0.13, weight: 0.5
      ALA29   HA -   VAL39 HG22
      ALA29   HA -   VAL39 HG23

ref_spec: eng, ref_peak: 446, id: 445, d: 4.96, u: 4.15, u_viol: 0.81, %_viol: 100.0, viol: no, reliable: no, a_type: A
      ALA29   HA -   LEU34 HD11    d: 4.68 +/- 0.15, weight: 0.5
      ALA29   HA -   LEU34 HD12
      ALA29   HA -   LEU34 HD13

      ALA29   HA -   LEU34 HD11    d: 4.68 +/- 0.15, weight: 0.5
      ALA29   HA -   LEU34 HD12
      ALA29   HA -   LEU34 HD13

ref_spec: eng, ref_peak: 447, id: 446, d: 3.95, u: 4.04, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA2 -   GLN19    H    d: 4.20 +/- 0.29, weight: 0.5

      GLY10  HA2 -   GLN19    H    d: 4.21 +/- 0.29, weight: 0.5

ref_spec: eng, ref_peak: 448, id: 447, d: 1.92, u: 3.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA2 -   ILE11    H    d: 2.14 +/- 0.17, weight: 0.5

      GLY10  HA2 -   ILE11    H    d: 2.13 +/- 0.12, weight: 0.5

ref_spec: eng, ref_peak: 449, id: 448, d: 2.56, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA2 -   GLY10    H    d: 2.87 +/- 0.02, weight: 0.5

      GLY10  HA2 -   GLY10    H    d: 2.87 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 450, id: 449, d: 3.91, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY10  HA2 -   ILE11   HA    d: 4.36 +/- 0.02, weight: 0.5

      GLY10  HA2 -   ILE11   HA    d: 4.36 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 451, id: 450, d: 2.18, u: 3.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HD2 -    ARG3   HA    d: 2.43 +/- 0.25, weight: 0.5

       PRO4  HD2 -    ARG3   HA    d: 2.39 +/- 0.24, weight: 0.5

ref_spec: eng, ref_peak: 452, id: 451, d: 1.58, u: 2.40, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HD2 -    PRO4  HD3    d: 1.78 +/- 0.00, weight: 0.5

       PRO4  HD2 -    PRO4  HD3    d: 1.78 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 453, id: 452, d: 3.15, u: 3.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HA -   CYS40    H    d: 3.53 +/- 0.02, weight: 0.5

      VAL39   HA -   CYS40    H    d: 3.53 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 454, id: 453, d: 2.31, u: 2.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HA -   LEU42  HB3    d: 3.64 +/- 0.85, weight: 0.4

      VAL39   HA -   LEU42  HB3    d: 3.31 +/- 0.81, weight: 0.6

ref_spec: eng, ref_peak: 455, id: 454, d: 3.79, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HA -   LEU42   HG    d: 3.66 +/- 0.06, weight: 0.5

      VAL39   HA -   LEU42   HG    d: 3.66 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 456, id: 455, d: 2.60, u: 2.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HA -   VAL39 HG21    d: 2.95 +/- 0.03, weight: 0.5
      VAL39   HA -   VAL39 HG22
      VAL39   HA -   VAL39 HG23

      VAL39   HA -   VAL39 HG21    d: 2.95 +/- 0.03, weight: 0.5
      VAL39   HA -   VAL39 HG22
      VAL39   HA -   VAL39 HG23

ref_spec: eng, ref_peak: 457, id: 456, d: 2.38, u: 3.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB3 -   HIS22    H    d: 2.96 +/- 0.52, weight: 0.6

      TRP21  HB3 -   HIS22    H    d: 3.11 +/- 0.55, weight: 0.4

ref_spec: eng, ref_peak: 458, id: 457, d: 2.01, u: 3.43, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB3 -   TRP21    H    d: 2.75 +/- 0.56, weight: 0.6

      TRP21  HB3 -   TRP21    H    d: 2.91 +/- 0.61, weight: 0.4

ref_spec: eng, ref_peak: 459, id: 458, d: 2.57, u: 3.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB3 -   TRP21   HA    d: 2.85 +/- 0.26, weight: 0.5

      TRP21  HB3 -   TRP21   HA    d: 2.77 +/- 0.28, weight: 0.5

ref_spec: eng, ref_peak: 460, id: 459, d: 1.57, u: 2.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB3 -   TRP21  HB2    d: 1.76 +/- 0.00, weight: 0.5

      TRP21  HB3 -   TRP21  HB2    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 461, id: 460, d: 2.93, u: 3.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   LYS45    H    d: 3.49 +/- 0.01, weight: 0.3

      ILE44   HA -   LYS45    H    d: 3.49 +/- 0.01, weight: 0.3

      ILE44   HA -   LEU48    H    d: 3.96 +/- 0.05, weight: 0.2

ref_spec: eng, ref_peak: 462, id: 461, d: 2.53, u: 3.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   ILE44    H    d: 2.85 +/- 0.00, weight: 0.5

      ILE44   HA -   ILE44    H    d: 2.85 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 463, id: 462, d: 2.66, u: 3.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   TYR47    H    d: 2.83 +/- 0.06, weight: 0.5

      ILE44   HA -   TYR47    H    d: 2.83 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 464, id: 463, d: 3.81, u: 4.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   TYR47  HD1    d: 4.25 +/- 0.20, weight: 0.5
      ILE44   HA -   TYR47  HD2

      ILE44   HA -   TYR47  HD1    d: 4.25 +/- 0.20, weight: 0.5
      ILE44   HA -   TYR47  HD2

ref_spec: eng, ref_peak: 465, id: 464, d: 4.92, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   ARG41   HA    d: 5.64 +/- 0.21, weight: 0.4

      ILE44   HA -   ARG41   HA    d: 5.64 +/- 0.21, weight: 0.4

ref_spec: eng, ref_peak: 466, id: 465, d: 3.35, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   ALA43   HA    d: 3.81 +/- 0.05, weight: 0.4

      ILE44   HA -   ALA43   HA    d: 3.80 +/- 0.05, weight: 0.4

      ILE44   HA -   ALA43   HA    d: 4.72 +/- 0.02, weight: 0.1

ref_spec: eng, ref_peak: 467, id: 466, d: 1.97, u: 3.79, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   TYR47  HB3    d: 2.30 +/- 0.22, weight: 0.6

      ILE44   HA -   TYR47  HB3    d: 2.42 +/- 0.25, weight: 0.4

ref_spec: eng, ref_peak: 468, id: 467, d: 4.69, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   GLU46  HB2    d: 5.25 +/- 0.11, weight: 0.3
      ILE44   HA -   GLU46  HB3

      ILE44   HA -   GLU46  HB2    d: 5.97 +/- 0.19, weight: 0.1
      ILE44   HA -   GLU46  HB3

      ILE44   HA -   GLU46  HB2    d: 5.97 +/- 0.19, weight: 0.1
      ILE44   HA -   GLU46  HB3

      ILE44   HA -   GLU46  HB2    d: 5.25 +/- 0.11, weight: 0.3
      ILE44   HA -   GLU46  HB3

ref_spec: eng, ref_peak: 469, id: 468, d: 2.10, u: 2.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   ALA43  HB1    d: 2.28 +/- 0.06, weight: 0.5
      ILE44   HA -   ALA43  HB2
      ILE44   HA -   ALA43  HB3

      ILE44   HA -   ALA43  HB1    d: 2.28 +/- 0.06, weight: 0.5
      ILE44   HA -   ALA43  HB2
      ILE44   HA -   ALA43  HB3

ref_spec: eng, ref_peak: 470, id: 469, d: 2.30, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   ILE44 HG21    d: 2.56 +/- 0.04, weight: 0.5
      ILE44   HA -   ILE44 HG22
      ILE44   HA -   ILE44 HG23

      ILE44   HA -   ILE44 HG21    d: 2.56 +/- 0.04, weight: 0.5
      ILE44   HA -   ILE44 HG22
      ILE44   HA -   ILE44 HG23

ref_spec: eng, ref_peak: 471, id: 470, d: 4.14, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   ILE44 HD11    d: 4.62 +/- 0.21, weight: 0.5
      ILE44   HA -   ILE44 HD12
      ILE44   HA -   ILE44 HD13

      ILE44   HA -   ILE44 HD11    d: 4.62 +/- 0.21, weight: 0.5
      ILE44   HA -   ILE44 HD12
      ILE44   HA -   ILE44 HD13

ref_spec: eng, ref_peak: 472, id: 471, d: 5.57, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HA -   LEU48 HD11    d: 6.29 +/- 0.09, weight: 0.5
      ILE44   HA -   LEU48 HD12
      ILE44   HA -   LEU48 HD13

      ILE44   HA -   LEU48 HD11    d: 6.29 +/- 0.09, weight: 0.5
      ILE44   HA -   LEU48 HD12
      ILE44   HA -   LEU48 HD13

ref_spec: eng, ref_peak: 473, id: 472, d: 2.13, u: 3.40, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HD3 -   ARG24    H    d: 2.21 +/- 0.59, weight: 0.6

      ARG24  HD3 -   ARG24    H    d: 2.46 +/- 0.48, weight: 0.3

ref_spec: eng, ref_peak: 474, id: 473, d: 2.86, u: 3.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HD3 -   ARG24   HA    d: 3.50 +/- 0.51, weight: 0.6

      ARG24  HD3 -   ARG24   HA    d: 3.78 +/- 0.59, weight: 0.4

ref_spec: eng, ref_peak: 475, id: 474, d: 2.34, u: 2.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HD3 -   ARG24  HG2    d: 2.63 +/- 0.03, weight: 0.5
      ARG24  HD3 -   ARG24  HG3

      ARG24  HD3 -   ARG24  HG2    d: 2.63 +/- 0.03, weight: 0.5
      ARG24  HD3 -   ARG24  HG3

ref_spec: eng, ref_peak: 476, id: 475, d: 4.04, u: 4.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14  HA2 -   LEU13    H    d: 4.84 +/- 0.42, weight: 0.4

      GLY14  HA2 -   LEU13    H    d: 4.84 +/- 0.39, weight: 0.4

      GLY14  HA2 -   LEU13    H    d: 5.67 +/- 0.30, weight: 0.1

ref_spec: eng, ref_peak: 477, id: 476, d: 2.27, u: 3.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14  HA2 -   GLY14    H    d: 2.46 +/- 0.19, weight: 0.5

      GLY14  HA2 -   GLY14    H    d: 2.46 +/- 0.18, weight: 0.5

ref_spec: eng, ref_peak: 478, id: 477, d: 2.77, u: 3.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14  HA2 -   VAL15    H    d: 2.99 +/- 0.35, weight: 0.5

      GLY14  HA2 -   VAL15    H    d: 2.99 +/- 0.35, weight: 0.5

ref_spec: eng, ref_peak: 479, id: 478, d: 3.77, u: 3.72, u_viol: 0.05, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14  HA2 -   LEU13   HA    d: 4.35 +/- 0.04, weight: 0.4

      GLY14  HA2 -   LEU13   HA    d: 4.34 +/- 0.04, weight: 0.4

ref_spec: eng, ref_peak: 480, id: 479, d: 1.56, u: 2.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14  HA2 -   GLY14  HA3    d: 1.76 +/- 0.00, weight: 0.5

      GLY14  HA2 -   GLY14  HA3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 481, id: 480, d: 4.45, u: 8.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLY14  HA2 -   LEU13  HB2    d: 5.24 +/- 0.57, weight: 0.4

      GLY14  HA2 -   LEU13  HB2    d: 5.20 +/- 0.55, weight: 0.4

ref_spec: eng, ref_peak: 482, id: 481, d: 3.00, u: 3.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP38  HB3 -   VAL39    H    d: 2.97 +/- 0.14, weight: 0.5

      ASP38  HB3 -   VAL39    H    d: 2.97 +/- 0.14, weight: 0.5

ref_spec: eng, ref_peak: 483, id: 482, d: 1.97, u: 3.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41  HD2 -   ARG41 HH11    d: 2.62 +/- 0.40, weight: 0.2
      ARG41  HD2 -   ARG41 HH12

      TYR47  HB3 -   TYR47    H    d: 2.47 +/- 0.21, weight: 0.3

      ARG41  HD2 -   ARG41 HH11    d: 2.62 +/- 0.40, weight: 0.2
      ARG41  HD2 -   ARG41 HH12

      TYR47  HB3 -   TYR47    H    d: 2.60 +/- 0.21, weight: 0.2

ref_spec: eng, ref_peak: 484, id: 483, d: 2.40, u: 3.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB3 -   TYR47  HD1    d: 2.67 +/- 0.13, weight: 0.5
      TYR47  HB3 -   TYR47  HD2

      TYR47  HB3 -   TYR47  HD1    d: 2.75 +/- 0.13, weight: 0.5
      TYR47  HB3 -   TYR47  HD2

ref_spec: eng, ref_peak: 485, id: 484, d: 4.37, u: 5.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB3 -   TYR47  HE1    d: 4.95 +/- 0.04, weight: 0.5
      TYR47  HB3 -   TYR47  HE2

      TYR47  HB3 -   TYR47  HE1    d: 4.97 +/- 0.04, weight: 0.5
      TYR47  HB3 -   TYR47  HE2

ref_spec: eng, ref_peak: 486, id: 485, d: 2.35, u: 2.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB3 -   TYR47   HA    d: 2.73 +/- 0.21, weight: 0.6

      TYR47  HB3 -   TYR47   HA    d: 2.86 +/- 0.21, weight: 0.4

ref_spec: eng, ref_peak: 487, id: 486, d: 3.54, u: 3.88, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41  HD2 -   LEU42   HA    d: 4.02 +/- 0.29, weight: 0.5

      ARG41  HD2 -   LEU42   HA    d: 4.02 +/- 0.29, weight: 0.5

ref_spec: eng, ref_peak: 488, id: 487, d: 2.87, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB3 -   ALA43   HA    d: 3.67 +/- 0.77, weight: 0.6

      TYR47  HB3 -   ALA43   HA    d: 4.13 +/- 0.76, weight: 0.3

ref_spec: eng, ref_peak: 489, id: 488, d: 5.24, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB3 -   ASN50  HB3    d: 6.61 +/- 0.83, weight: 0.5

      TYR47  HB3 -   ASN50  HB3    d: 6.68 +/- 0.88, weight: 0.4

ref_spec: eng, ref_peak: 490, id: 489, d: 2.30, u: 5.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41  HD2 -   ARG41  HG2    d: 2.66 +/- 0.10, weight: 0.5
      ARG41  HD2 -   ARG41  HG3

      ARG41  HD2 -   ARG41  HG2    d: 2.66 +/- 0.10, weight: 0.5
      ARG41  HD2 -   ARG41  HG3

ref_spec: eng, ref_peak: 491, id: 490, d: 5.66, u: 6.00, u_viol: 0.09, %_viol: 10.0, viol: no, reliable: no, a_type: A
      ASP38  HB3 -   THR35 HG21    d: 6.03 +/- 0.41, weight: 0.5
      ASP38  HB3 -   THR35 HG22
      ASP38  HB3 -   THR35 HG23

      ASP38  HB3 -   THR35 HG21    d: 6.03 +/- 0.41, weight: 0.5
      ASP38  HB3 -   THR35 HG22
      ASP38  HB3 -   THR35 HG23

ref_spec: eng, ref_peak: 492, id: 491, d: 2.66, u: 3.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB3 -   ALA43  HB1    d: 3.54 +/- 0.63, weight: 0.6
      TYR47  HB3 -   ALA43  HB2
      TYR47  HB3 -   ALA43  HB3

      TYR47  HB3 -   ALA43  HB1    d: 3.93 +/- 0.69, weight: 0.3
      TYR47  HB3 -   ALA43  HB2
      TYR47  HB3 -   ALA43  HB3

ref_spec: eng, ref_peak: 493, id: 492, d: 5.55, u: 6.19, u_viol: 0.10, %_viol: 5.0, viol: no, reliable: no, a_type: A
      TYR47  HB3 -   LEU48 HD11    d: 6.52 +/- 0.75, weight: 0.4
      TYR47  HB3 -   LEU48 HD12
      TYR47  HB3 -   LEU48 HD13

      TYR47  HB3 -   LEU48 HD11    d: 6.05 +/- 0.75, weight: 0.6
      TYR47  HB3 -   LEU48 HD12
      TYR47  HB3 -   LEU48 HD13

ref_spec: eng, ref_peak: 494, id: 493, d: 2.96, u: 4.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33  HB3 -   ASN33 HD22    d: 3.37 +/- 0.73, weight: 0.5

      ASN33  HB3 -   ASN33 HD22    d: 3.41 +/- 0.68, weight: 0.5

ref_spec: eng, ref_peak: 495, id: 494, d: 1.57, u: 2.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33  HB3 -   ASN33  HB2    d: 1.76 +/- 0.00, weight: 0.5

      ASN33  HB3 -   ASN33  HB2    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 496, id: 495, d: 2.27, u: 4.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3  HD2 -    ARG3 HH11    d: 2.55 +/- 0.00, weight: 0.5
       ARG3  HD2 -    ARG3 HH12
       ARG3  HD3 -    ARG3 HH11
       ARG3  HD3 -    ARG3 HH12

       ARG3  HD2 -    ARG3 HH11    d: 2.55 +/- 0.00, weight: 0.5
       ARG3  HD2 -    ARG3 HH12
       ARG3  HD3 -    ARG3 HH11
       ARG3  HD3 -    ARG3 HH12

ref_spec: eng, ref_peak: 497, id: 496, d: 2.29, u: 3.75, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3  HD2 -    ARG3  HG2    d: 2.58 +/- 0.05, weight: 0.5
       ARG3  HD2 -    ARG3  HG3
       ARG3  HD3 -    ARG3  HG2
       ARG3  HD3 -    ARG3  HG3

       ARG3  HD2 -    ARG3  HG2    d: 2.58 +/- 0.05, weight: 0.5
       ARG3  HD2 -    ARG3  HG3
       ARG3  HD3 -    ARG3  HG2
       ARG3  HD3 -    ARG3  HG3

ref_spec: eng, ref_peak: 498, id: 497, d: 2.27, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51  HB3 -   HIS51    H    d: 2.18 +/- 0.01, weight: 0.5

      HIS51  HB3 -   HIS51    H    d: 2.18 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 499, id: 498, d: 2.74, u: 2.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51  HB3 -   HIS51  HD2    d: 2.91 +/- 0.08, weight: 0.5

      HIS51  HB3 -   HIS51  HD2    d: 2.91 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 500, id: 499, d: 1.57, u: 2.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51  HB3 -   HIS51  HB2    d: 1.77 +/- 0.00, weight: 0.5

      HIS51  HB3 -   HIS51  HB2    d: 1.77 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 501, id: 500, d: 2.14, u: 3.15, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HD2 -   ARG24    H    d: 2.46 +/- 0.48, weight: 0.3

      ARG24  HD2 -   ARG24    H    d: 2.21 +/- 0.60, weight: 0.7

ref_spec: eng, ref_peak: 502, id: 501, d: 2.86, u: 3.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HD2 -   ARG24   HA    d: 3.50 +/- 0.51, weight: 0.6

      ARG24  HD2 -   ARG24   HA    d: 3.78 +/- 0.59, weight: 0.4

ref_spec: eng, ref_peak: 503, id: 502, d: 1.57, u: 2.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HD2 -   ARG24  HD3    d: 1.76 +/- 0.00, weight: 0.5

      ARG24  HD2 -   ARG24  HD3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 504, id: 503, d: 2.56, u: 2.78, u_viol: 0.09, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HD2 -   ARG24  HB2    d: 2.84 +/- 0.28, weight: 0.6
      ARG24  HD2 -   ARG24  HB3

      ARG24  HD2 -   ARG24  HB2    d: 2.97 +/- 0.26, weight: 0.4
      ARG24  HD2 -   ARG24  HB3

ref_spec: eng, ref_peak: 505, id: 504, d: 2.03, u: 3.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB3 -   CYS40    H    d: 2.42 +/- 0.41, weight: 0.5

      CYS40  HB3 -   CYS40    H    d: 2.38 +/- 0.38, weight: 0.5

ref_spec: eng, ref_peak: 506, id: 505, d: 2.45, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB2 -   TRP21   HA    d: 2.73 +/- 0.27, weight: 0.5

      TRP21  HB2 -   TRP21   HA    d: 2.65 +/- 0.25, weight: 0.5

ref_spec: eng, ref_peak: 507, id: 506, d: 3.00, u: 3.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB3 -   SER37   HA    d: 3.35 +/- 0.44, weight: 0.5

      CYS40  HB3 -   SER37   HA    d: 3.31 +/- 0.45, weight: 0.5

ref_spec: eng, ref_peak: 508, id: 507, d: 4.45, u: 4.23, u_viol: 0.22, %_viol: 80.0, viol: no, reliable: no, a_type: A
      CYS40  HB3 -   LEU36   HA    d: 5.07 +/- 0.61, weight: 0.5

      CYS40  HB3 -   LEU36   HA    d: 5.00 +/- 0.56, weight: 0.5

ref_spec: eng, ref_peak: 509, id: 508, d: 2.35, u: 3.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB3 -   CYS40   HA    d: 2.65 +/- 0.15, weight: 0.5

      CYS40  HB3 -   CYS40   HA    d: 2.64 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 510, id: 509, d: 3.31, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB3 -   VAL15 HG21    d: 4.39 +/- 0.85, weight: 0.3
      CYS40  HB3 -   VAL15 HG22
      CYS40  HB3 -   VAL15 HG23

      CYS40  HB3 -   ILE44 HG21    d: 5.35 +/- 0.40, weight: 0.1
      CYS40  HB3 -   ILE44 HG22
      CYS40  HB3 -   ILE44 HG23

      CYS40  HB3 -   VAL15 HG21    d: 4.42 +/- 0.84, weight: 0.3
      CYS40  HB3 -   VAL15 HG22
      CYS40  HB3 -   VAL15 HG23

      CYS40  HB3 -   ILE44 HG21    d: 5.31 +/- 0.40, weight: 0.1
      CYS40  HB3 -   ILE44 HG22
      CYS40  HB3 -   ILE44 HG23

      CYS40  HB3 -   VAL15 HG21    d: 6.15 +/- 0.72, weight: 0.0
      CYS40  HB3 -   VAL15 HG22
      CYS40  HB3 -   VAL15 HG23

ref_spec: eng, ref_peak: 511, id: 510, d: 4.40, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB3 -   VAL15 HG11    d: 4.72 +/- 0.66, weight: 0.4
      CYS40  HB3 -   VAL15 HG12
      CYS40  HB3 -   VAL15 HG13

      CYS40  HB3 -   VAL15 HG11    d: 4.79 +/- 0.71, weight: 0.4
      CYS40  HB3 -   VAL15 HG12
      CYS40  HB3 -   VAL15 HG13

      CYS40  HB3 -   VAL15 HG11    d: 6.01 +/- 0.94, weight: 0.1
      CYS40  HB3 -   VAL15 HG12
      CYS40  HB3 -   VAL15 HG13

ref_spec: eng, ref_peak: 512, id: 511, d: 6.63, u: 6.00, u_viol: 0.63, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      TRP21  HB2 -   LEU48 HD11    d: 6.06 +/- 0.61, weight: 0.5
      TRP21  HB2 -   LEU48 HD12
      TRP21  HB2 -   LEU48 HD13

      TRP21  HB2 -   LEU48 HD11    d: 6.24 +/- 0.61, weight: 0.5
      TRP21  HB2 -   LEU48 HD12
      TRP21  HB2 -   LEU48 HD13

ref_spec: eng, ref_peak: 513, id: 512, d: 2.53, u: 3.22, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB2 -   HIS22    H    d: 3.36 +/- 0.50, weight: 0.4

      TRP21  HB2 -   HIS22    H    d: 3.21 +/- 0.53, weight: 0.6

ref_spec: eng, ref_peak: 514, id: 513, d: 2.58, u: 3.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB2 -   TRP21    H    d: 3.24 +/- 0.52, weight: 0.4

      TRP21  HB2 -   TRP21    H    d: 3.08 +/- 0.57, weight: 0.6

ref_spec: eng, ref_peak: 515, id: 514, d: 4.10, u: 4.60, u_viol: 0.09, %_viol: 5.0, viol: no, reliable: no, a_type: A
      TYR47  HB2 -   GLU46  HB2    d: 5.49 +/- 0.76, weight: 0.2
      TYR47  HB2 -   GLU46  HB3

      TYR47  HB2 -   GLU46  HB2    d: 5.01 +/- 0.85, weight: 0.4
      TYR47  HB2 -   GLU46  HB3

      TYR47  HB2 -   GLU46  HB2    d: 5.35 +/- 0.50, weight: 0.2
      TYR47  HB2 -   GLU46  HB3

ref_spec: eng, ref_peak: 516, id: 515, d: 2.95, u: 3.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HB2 -   ILE17   HB    d: 4.33 +/- 0.31, weight: 0.4

      TRP21  HB2 -   ILE17   HB    d: 4.22 +/- 0.37, weight: 0.4

ref_spec: eng, ref_peak: 517, id: 516, d: 2.26, u: 2.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB2 -   TYR47    H    d: 2.60 +/- 0.21, weight: 0.4

      TYR47  HB2 -   TYR47    H    d: 2.47 +/- 0.21, weight: 0.6

ref_spec: eng, ref_peak: 518, id: 517, d: 2.40, u: 3.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB2 -   TYR47  HD1    d: 2.76 +/- 0.13, weight: 0.5
      TYR47  HB2 -   TYR47  HD2

      TYR47  HB2 -   TYR47  HD1    d: 2.68 +/- 0.13, weight: 0.5
      TYR47  HB2 -   TYR47  HD2

ref_spec: eng, ref_peak: 519, id: 518, d: 4.40, u: 5.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB2 -   TYR47  HE1    d: 4.98 +/- 0.04, weight: 0.5
      TYR47  HB2 -   TYR47  HE2

      TYR47  HB2 -   TYR47  HE1    d: 4.95 +/- 0.04, weight: 0.5
      TYR47  HB2 -   TYR47  HE2

ref_spec: eng, ref_peak: 520, id: 519, d: 2.43, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB2 -   TYR47   HA    d: 2.87 +/- 0.21, weight: 0.4

      TYR47  HB2 -   TYR47   HA    d: 2.74 +/- 0.21, weight: 0.6

ref_spec: eng, ref_peak: 521, id: 520, d: 1.57, u: 2.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR47  HB2 -   TYR47  HB3    d: 1.76 +/- 0.00, weight: 0.5

      TYR47  HB2 -   TYR47  HB3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 522, id: 521, d: 4.04, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45   HA -   ASP49    H    d: 4.13 +/- 0.05, weight: 0.5

      LYS45   HA -   ASP49    H    d: 4.13 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 523, id: 522, d: 2.40, u: 3.14, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45   HA -   LYS45    H    d: 2.79 +/- 0.01, weight: 0.4

      LYS45   HA -   LYS45    H    d: 2.79 +/- 0.01, weight: 0.4

ref_spec: eng, ref_peak: 524, id: 523, d: 4.56, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45   HA -   LEU42   HA    d: 4.77 +/- 0.03, weight: 0.5

      LYS45   HA -   LEU42   HA    d: 4.77 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 525, id: 524, d: 3.16, u: 4.07, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45   HA -   LEU48 HD11    d: 3.62 +/- 0.16, weight: 0.5
      LYS45   HA -   LEU48 HD12
      LYS45   HA -   LEU48 HD13

      LYS45   HA -   LEU48 HD11    d: 3.62 +/- 0.16, weight: 0.5
      LYS45   HA -   LEU48 HD12
      LYS45   HA -   LEU48 HD13

ref_spec: eng, ref_peak: 526, id: 525, d: 4.45, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HE2 -   LYS30    H    d: 4.96 +/- 0.14, weight: 0.5
      LYS30  HE3 -   LYS30    H

      LYS30  HE2 -   LYS30    H    d: 4.96 +/- 0.14, weight: 0.5
      LYS30  HE3 -   LYS30    H

ref_spec: eng, ref_peak: 527, id: 526, d: 3.53, u: 4.01, u_viol: 0.09, %_viol: 10.0, viol: no, reliable: no, a_type: A
      LYS30  HE2 -   GLU27   HA    d: 3.65 +/- 0.83, weight: 0.4
      LYS30  HE3 -   GLU27   HA

      LYS30  HE2 -   GLU27   HA    d: 3.65 +/- 0.83, weight: 0.4
      LYS30  HE3 -   GLU27   HA

ref_spec: eng, ref_peak: 528, id: 527, d: 3.55, u: 6.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HE2 -   LYS30  HB3    d: 4.35 +/- 0.72, weight: 0.5
      LYS30  HE3 -   LYS30  HB3

      LYS30  HE2 -   LYS30  HB3    d: 4.35 +/- 0.72, weight: 0.5
      LYS30  HE3 -   LYS30  HB3

ref_spec: eng, ref_peak: 529, id: 528, d: 2.30, u: 2.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HE2 -   LYS30  HD2    d: 2.60 +/- 0.05, weight: 0.5
      LYS30  HE2 -   LYS30  HD3
      LYS30  HE3 -   LYS30  HD2
      LYS30  HE3 -   LYS30  HD3

      LYS30  HE2 -   LYS30  HD2    d: 2.60 +/- 0.05, weight: 0.5
      LYS30  HE2 -   LYS30  HD3
      LYS30  HE3 -   LYS30  HD2
      LYS30  HE3 -   LYS30  HD3

ref_spec: eng, ref_peak: 530, id: 529, d: 3.55, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HE2 -   LYS30  HB2    d: 4.24 +/- 0.58, weight: 0.5
      LYS30  HE3 -   LYS30  HB2

      LYS30  HE2 -   LYS30  HB2    d: 4.24 +/- 0.58, weight: 0.5
      LYS30  HE3 -   LYS30  HB2

ref_spec: eng, ref_peak: 531, id: 530, d: 2.77, u: 4.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS55  HE2 -   LYS55  HG2    d: 2.98 +/- 0.24, weight: 0.5
      LYS55  HE2 -   LYS55  HG3
      LYS55  HE3 -   LYS55  HG2
      LYS55  HE3 -   LYS55  HG3

      LYS55  HE2 -   LYS55  HG2    d: 2.98 +/- 0.24, weight: 0.5
      LYS55  HE2 -   LYS55  HG3
      LYS55  HE3 -   LYS55  HG2
      LYS55  HE3 -   LYS55  HG3

ref_spec: eng, ref_peak: 532, id: 531, d: 2.83, u: 3.03, u_viol: 0.25, %_viol: 40.0, viol: no, reliable: no, a_type: A
       TYR5  HB2 -    TYR5    H    d: 3.23 +/- 0.47, weight: 0.5
       TYR5  HB3 -    TYR5    H

       TYR5  HB2 -    TYR5    H    d: 3.23 +/- 0.47, weight: 0.5
       TYR5  HB3 -    TYR5    H

ref_spec: eng, ref_peak: 533, id: 532, d: 2.79, u: 3.06, u_viol: 0.34, %_viol: 45.0, viol: no, reliable: no, a_type: A
       TYR5  HB2 -    LYS6    H    d: 2.54 +/- 0.63, weight: 0.5
       TYR5  HB3 -    LYS6    H

       TYR5  HB2 -    LYS6    H    d: 2.54 +/- 0.63, weight: 0.5
       TYR5  HB3 -    LYS6    H

ref_spec: eng, ref_peak: 534, id: 533, d: 4.23, u: 4.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   TRP21    H    d: 4.86 +/- 0.68, weight: 0.4

      HIS22  HB2 -   TRP21    H    d: 4.63 +/- 0.62, weight: 0.6

ref_spec: eng, ref_peak: 535, id: 534, d: 2.40, u: 3.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5  HB2 -    TYR5  HD1    d: 2.69 +/- 0.01, weight: 0.5
       TYR5  HB2 -    TYR5  HD2
       TYR5  HB3 -    TYR5  HD1
       TYR5  HB3 -    TYR5  HD2

       TYR5  HB2 -    TYR5  HD1    d: 2.69 +/- 0.01, weight: 0.5
       TYR5  HB2 -    TYR5  HD2
       TYR5  HB3 -    TYR5  HD1
       TYR5  HB3 -    TYR5  HD2

ref_spec: eng, ref_peak: 536, id: 535, d: 2.30, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       TYR5  HB2 -    TYR5   HA    d: 2.65 +/- 0.11, weight: 0.5
       TYR5  HB3 -    TYR5   HA

       TYR5  HB2 -    TYR5   HA    d: 2.65 +/- 0.11, weight: 0.5
       TYR5  HB3 -    TYR5   HA

ref_spec: eng, ref_peak: 537, id: 536, d: 3.94, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   ASP23   HA    d: 4.31 +/- 0.38, weight: 0.4

      HIS22  HB2 -   ASP23   HA    d: 4.18 +/- 0.38, weight: 0.5

ref_spec: eng, ref_peak: 538, id: 537, d: 7.79, u: 8.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   ILE17 HG21    d: 9.72 +/- 0.44, weight: 0.4
      HIS22  HB2 -   ILE17 HG22
      HIS22  HB2 -   ILE17 HG23

      HIS22  HB2 -   ILE17 HG21    d: 9.57 +/- 0.44, weight: 0.4
      HIS22  HB2 -   ILE17 HG22
      HIS22  HB2 -   ILE17 HG23

ref_spec: eng, ref_peak: 539, id: 538, d: 2.86, u: 3.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   ASP23    H    d: 2.58 +/- 0.29, weight: 0.5

      HIS22  HB2 -   ASP23    H    d: 2.54 +/- 0.23, weight: 0.5

ref_spec: eng, ref_peak: 540, id: 539, d: 2.25, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   HIS22    H    d: 2.86 +/- 0.57, weight: 0.4

      HIS22  HB2 -   HIS22    H    d: 2.66 +/- 0.53, weight: 0.6

ref_spec: eng, ref_peak: 541, id: 540, d: 2.83, u: 3.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   HIS22  HD2    d: 3.44 +/- 0.46, weight: 0.4

      HIS22  HB2 -   HIS22  HD2    d: 3.27 +/- 0.44, weight: 0.6

ref_spec: eng, ref_peak: 542, id: 541, d: 5.21, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   GLU20   HA    d: 5.24 +/- 0.58, weight: 0.4

       TYR5  HB2 -   GLU20   HA    d: 6.54 +/- 2.56, weight: 0.1
       TYR5  HB3 -   GLU20   HA

      HIS22  HB2 -   GLU20   HA    d: 5.42 +/- 0.67, weight: 0.3

ref_spec: eng, ref_peak: 543, id: 542, d: 2.47, u: 3.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   HIS22   HA    d: 2.87 +/- 0.16, weight: 0.5

      HIS22  HB2 -   HIS22   HA    d: 2.92 +/- 0.14, weight: 0.5

ref_spec: eng, ref_peak: 544, id: 543, d: 1.57, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS22  HB2 -   HIS22  HB3    d: 1.76 +/- 0.00, weight: 0.5

      HIS22  HB2 -   HIS22  HB3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 545, id: 544, d: 2.61, u: 3.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45  HE2 -   LYS45  HG2    d: 2.94 +/- 0.27, weight: 0.5
      LYS45  HE2 -   LYS45  HG3
      LYS45  HE3 -   LYS45  HG2
      LYS45  HE3 -   LYS45  HG3

      LYS45  HE2 -   LYS45  HG2    d: 2.94 +/- 0.27, weight: 0.5
      LYS45  HE2 -   LYS45  HG3
      LYS45  HE3 -   LYS45  HG2
      LYS45  HE3 -   LYS45  HG3

ref_spec: eng, ref_peak: 546, id: 545, d: 2.60, u: 3.88, u_viol: 0.32, %_viol: 5.0, viol: no, reliable: no, a_type: A
      ASP23  HB3 -   ARG24 HH11    d: 2.35 +/- 0.21, weight: 0.5
      ASP23  HB3 -   ARG24 HH12

      ASP23  HB3 -   ARG24 HH11    d: 2.35 +/- 0.22, weight: 0.5
      ASP23  HB3 -   ARG24 HH12

ref_spec: eng, ref_peak: 547, id: 546, d: 4.61, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23  HB3 -   TRP21   HA    d: 5.17 +/- 0.27, weight: 0.5

      ASP23  HB3 -   TRP21   HA    d: 5.18 +/- 0.28, weight: 0.5

ref_spec: eng, ref_peak: 548, id: 547, d: 2.64, u: 3.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23  HB3 -   GLU20   HA    d: 3.41 +/- 0.41, weight: 0.5

      ASP23  HB3 -   GLU20   HA    d: 3.41 +/- 0.45, weight: 0.5

ref_spec: eng, ref_peak: 549, id: 548, d: 2.59, u: 3.21, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP52  HB3 -   ASP52    H    d: 3.39 +/- 0.28, weight: 0.5

      ASP52  HB3 -   ASP52    H    d: 3.39 +/- 0.28, weight: 0.5

ref_spec: eng, ref_peak: 550, id: 549, d: 1.57, u: 2.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP52  HB3 -   ASP52  HB2    d: 1.76 +/- 0.00, weight: 0.5

      ASP52  HB3 -   ASP52  HB2    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 551, id: 550, d: 4.01, u: 4.42, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD3 -   TRP21  HH2    d: 4.49 +/- 0.26, weight: 0.3

      PRO18  HD3 -   TRP21    H    d: 4.66 +/- 0.79, weight: 0.3

      PRO18  HD3 -   TRP21  HH2    d: 4.55 +/- 0.27, weight: 0.3

ref_spec: eng, ref_peak: 552, id: 551, d: 2.37, u: 2.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP52  HB3 -   ASP52   HA    d: 2.67 +/- 0.30, weight: 0.5

      ASP52  HB3 -   ASP52   HA    d: 2.67 +/- 0.30, weight: 0.5

ref_spec: eng, ref_peak: 553, id: 552, d: 2.90, u: 3.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD3 -   TRP21  HB3    d: 4.45 +/- 1.30, weight: 0.7

      PRO18  HD3 -   TRP21  HB3    d: 5.11 +/- 1.20, weight: 0.3

ref_spec: eng, ref_peak: 554, id: 553, d: 3.63, u: 4.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD3 -   ILE17 HG21    d: 4.79 +/- 0.31, weight: 0.5
      PRO18  HD3 -   ILE17 HG22
      PRO18  HD3 -   ILE17 HG23

      PRO18  HD3 -   ILE17 HG21    d: 4.69 +/- 0.25, weight: 0.5
      PRO18  HD3 -   ILE17 HG22
      PRO18  HD3 -   ILE17 HG23

ref_spec: eng, ref_peak: 555, id: 554, d: 2.23, u: 4.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD3 -   PRO18  HG2    d: 2.48 +/- 0.21, weight: 0.6

      PRO18  HD3 -   PRO18  HG2    d: 2.57 +/- 0.19, weight: 0.4

ref_spec: eng, ref_peak: 556, id: 555, d: 3.72, u: 4.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33  HB2 -   LEU34    H    d: 4.54 +/- 0.01, weight: 0.5

      ASN33  HB2 -   LEU34    H    d: 4.54 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 557, id: 556, d: 3.21, u: 3.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33  HB2 -   ASN33    H    d: 3.26 +/- 0.32, weight: 0.5

      ASN33  HB2 -   ASN33    H    d: 3.26 +/- 0.32, weight: 0.5

ref_spec: eng, ref_peak: 558, id: 557, d: 2.81, u: 3.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33  HB2 -   ASN33 HD22    d: 3.27 +/- 0.61, weight: 0.5

      ASN33  HB2 -   ASN33 HD22    d: 3.26 +/- 0.60, weight: 0.5

ref_spec: eng, ref_peak: 559, id: 558, d: 2.44, u: 2.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33  HB2 -   ASN33   HA    d: 2.41 +/- 0.07, weight: 0.5

      ASN33  HB2 -   ASN33   HA    d: 2.41 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 560, id: 559, d: 5.13, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN33  HB2 -   LYS30   HA    d: 4.59 +/- 0.03, weight: 0.5

      ASN33  HB2 -   LYS30   HA    d: 4.59 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 561, id: 560, d: 4.31, u: 4.26, u_viol: 0.05, %_viol: 5.0, viol: no, reliable: no, a_type: A
      TYR16  HB3 -   ILE11    H    d: 4.74 +/- 0.72, weight: 0.5

      TYR16  HB3 -   ILE11    H    d: 4.62 +/- 0.69, weight: 0.5

ref_spec: eng, ref_peak: 562, id: 561, d: 2.33, u: 3.33, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB3 -   TYR16    H    d: 2.86 +/- 0.58, weight: 0.6

      TYR16  HB3 -   TYR16    H    d: 2.97 +/- 0.57, weight: 0.4

ref_spec: eng, ref_peak: 563, id: 562, d: 2.41, u: 3.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB3 -   TYR16  HD1    d: 2.76 +/- 0.20, weight: 0.5
      TYR16  HB3 -   TYR16  HD2

      TYR16  HB3 -   TYR16  HD1    d: 2.83 +/- 0.21, weight: 0.5
      TYR16  HB3 -   TYR16  HD2

ref_spec: eng, ref_peak: 564, id: 563, d: 4.42, u: 4.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB3 -   TYR16  HE1    d: 4.98 +/- 0.05, weight: 0.5
      TYR16  HB3 -   TYR16  HE2

      TYR16  HB3 -   TYR16  HE1    d: 4.99 +/- 0.05, weight: 0.5
      TYR16  HB3 -   TYR16  HE2

ref_spec: eng, ref_peak: 565, id: 564, d: 2.51, u: 3.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB3 -   TYR16   HA    d: 2.84 +/- 0.12, weight: 0.5

      TYR16  HB3 -   TYR16   HA    d: 2.82 +/- 0.12, weight: 0.5

ref_spec: eng, ref_peak: 566, id: 565, d: 2.14, u: 2.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49  HB3 -   ASP49    H    d: 2.28 +/- 0.10, weight: 0.5

      ASP49  HB3 -   ASP49    H    d: 2.28 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 567, id: 566, d: 2.31, u: 3.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49  HB3 -   ASP49   HA    d: 2.68 +/- 0.16, weight: 0.5

      ASP49  HB3 -   ASP49   HA    d: 2.66 +/- 0.15, weight: 0.5

ref_spec: eng, ref_peak: 568, id: 567, d: 2.37, u: 3.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49  HB3 -   GLU46   HA    d: 2.05 +/- 0.25, weight: 0.5

      ASP49  HB3 -   GLU46   HA    d: 2.02 +/- 0.17, weight: 0.5

ref_spec: eng, ref_peak: 569, id: 568, d: 1.57, u: 2.49, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HG3 -   GLU46  HG2    d: 1.76 +/- 0.00, weight: 0.5

      GLU46  HG3 -   GLU46  HG2    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 570, id: 569, d: 2.21, u: 3.02, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HG3 -   GLU46  HB2    d: 2.44 +/- 0.10, weight: 0.5
      GLU46  HG3 -   GLU46  HB3

      GLU46  HG3 -   GLU46  HB2    d: 2.42 +/- 0.05, weight: 0.5
      GLU46  HG3 -   GLU46  HB3

ref_spec: eng, ref_peak: 571, id: 570, d: 4.23, u: 4.76, u_viol: 0.16, %_viol: 5.0, viol: no, reliable: no, a_type: A
      ASP49  HB3 -   LYS45  HG2    d: 4.04 +/- 0.33, weight: 0.5
      ASP49  HB3 -   LYS45  HG3

      ASP49  HB3 -   LYS45  HG2    d: 3.99 +/- 0.29, weight: 0.5
      ASP49  HB3 -   LYS45  HG3

ref_spec: eng, ref_peak: 572, id: 571, d: 2.44, u: 2.51, u_viol: 0.13, %_viol: 20.0, viol: no, reliable: no, a_type: A
      ASP52  HB2 -   ASP52    H    d: 2.78 +/- 0.18, weight: 0.5

      ASP52  HB2 -   ASP52    H    d: 2.78 +/- 0.18, weight: 0.5

ref_spec: eng, ref_peak: 573, id: 572, d: 2.93, u: 3.72, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ASN9  HB2 -    ASN9 HD21    d: 3.47 +/- 0.49, weight: 0.5
       ASN9  HB3 -    ASN9 HD21

       ASN9  HB2 -    ASN9 HD21    d: 3.52 +/- 0.45, weight: 0.5
       ASN9  HB3 -    ASN9 HD21

ref_spec: eng, ref_peak: 574, id: 573, d: 5.97, u: 6.57, u_viol: 0.40, %_viol: 5.0, viol: no, reliable: no, a_type: A
       ASN9  HB2 -    LEU7 HD21    d: 9.29 +/- 1.23, weight: 0.1
       ASN9  HB2 -    LEU7 HD22
       ASN9  HB2 -    LEU7 HD23
       ASN9  HB3 -    LEU7 HD21
       ASN9  HB3 -    LEU7 HD22
       ASN9  HB3 -    LEU7 HD23

       ASN9  HB2 -    LEU8 HD11    d: 8.20 +/- 0.93, weight: 0.2
       ASN9  HB2 -    LEU8 HD12
       ASN9  HB2 -    LEU8 HD13
       ASN9  HB3 -    LEU8 HD11
       ASN9  HB3 -    LEU8 HD12
       ASN9  HB3 -    LEU8 HD13

      ASP38  HB2 -   ILE44 HD11    d: 8.69 +/- 0.21, weight: 0.1
      ASP38  HB2 -   ILE44 HD12
      ASP38  HB2 -   ILE44 HD13

       ASN9  HB2 -    LEU7 HD21    d: 9.29 +/- 1.23, weight: 0.1
       ASN9  HB2 -    LEU7 HD22
       ASN9  HB2 -    LEU7 HD23
       ASN9  HB3 -    LEU7 HD21
       ASN9  HB3 -    LEU7 HD22
       ASN9  HB3 -    LEU7 HD23

       ASN9  HB2 -    LEU8 HD11    d: 8.20 +/- 0.93, weight: 0.2
       ASN9  HB2 -    LEU8 HD12
       ASN9  HB2 -    LEU8 HD13
       ASN9  HB3 -    LEU8 HD11
       ASN9  HB3 -    LEU8 HD12
       ASN9  HB3 -    LEU8 HD13

      ASP38  HB2 -   ILE44 HD11    d: 8.70 +/- 0.22, weight: 0.1
      ASP38  HB2 -   ILE44 HD12
      ASP38  HB2 -   ILE44 HD13

ref_spec: eng, ref_peak: 575, id: 574, d: 2.87, u: 3.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50  HB3 -   HIS51    H    d: 3.63 +/- 0.41, weight: 0.5

      ASN50  HB3 -   HIS51    H    d: 3.68 +/- 0.42, weight: 0.5

ref_spec: eng, ref_peak: 576, id: 575, d: 2.44, u: 3.58, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50  HB3 -   ASN50 HD22    d: 3.21 +/- 0.59, weight: 0.6

      ASN50  HB3 -   ASN50 HD22    d: 3.38 +/- 0.54, weight: 0.4

ref_spec: eng, ref_peak: 577, id: 576, d: 2.67, u: 3.06, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50  HB3 -   ASN50 HD21    d: 3.27 +/- 0.73, weight: 0.4

      ASN50  HB3 -   ASN50 HD21    d: 3.18 +/- 0.68, weight: 0.5

ref_spec: eng, ref_peak: 578, id: 577, d: 2.48, u: 3.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50  HB3 -   ASN50   HA    d: 2.76 +/- 0.26, weight: 0.5

      ASN50  HB3 -   ASN50   HA    d: 2.73 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 579, id: 578, d: 2.75, u: 3.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49  HB2 -   ASN50    H    d: 3.04 +/- 0.62, weight: 0.5

      ASP49  HB2 -   ASN50    H    d: 2.99 +/- 0.60, weight: 0.5

ref_spec: eng, ref_peak: 580, id: 579, d: 2.54, u: 2.68, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49  HB2 -   ASP49   HA    d: 2.84 +/- 0.31, weight: 0.5

      ASP49  HB2 -   ASP49   HA    d: 2.86 +/- 0.30, weight: 0.5

ref_spec: eng, ref_peak: 581, id: 580, d: 2.40, u: 3.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP49  HB2 -   GLU46   HA    d: 2.46 +/- 0.43, weight: 0.5

      ASP49  HB2 -   GLU46   HA    d: 2.42 +/- 0.43, weight: 0.5

ref_spec: eng, ref_peak: 582, id: 581, d: 4.34, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB2 -   ILE11    H    d: 4.59 +/- 0.73, weight: 0.5

      TYR16  HB2 -   ILE11    H    d: 4.72 +/- 0.76, weight: 0.5

ref_spec: eng, ref_peak: 583, id: 582, d: 3.28, u: 3.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB2 -   ILE17    H    d: 4.03 +/- 0.45, weight: 0.5

      TYR16  HB2 -   ILE17    H    d: 4.11 +/- 0.48, weight: 0.5

ref_spec: eng, ref_peak: 584, id: 583, d: 2.33, u: 3.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB2 -   TYR16    H    d: 2.98 +/- 0.56, weight: 0.4

      TYR16  HB2 -   TYR16    H    d: 2.87 +/- 0.58, weight: 0.6

ref_spec: eng, ref_peak: 585, id: 584, d: 2.41, u: 3.18, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB2 -   TYR16  HD1    d: 2.81 +/- 0.21, weight: 0.5
      TYR16  HB2 -   TYR16  HD2

      TYR16  HB2 -   TYR16  HD1    d: 2.75 +/- 0.20, weight: 0.5
      TYR16  HB2 -   TYR16  HD2

ref_spec: eng, ref_peak: 586, id: 585, d: 4.42, u: 5.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB2 -   TYR16  HE1    d: 4.99 +/- 0.05, weight: 0.5
      TYR16  HB2 -   TYR16  HE2

      TYR16  HB2 -   TYR16  HE1    d: 4.97 +/- 0.05, weight: 0.5
      TYR16  HB2 -   TYR16  HE2

ref_spec: eng, ref_peak: 587, id: 586, d: 2.51, u: 3.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16  HB2 -   TYR16   HA    d: 2.82 +/- 0.12, weight: 0.5

      TYR16  HB2 -   TYR16   HA    d: 2.83 +/- 0.12, weight: 0.5

ref_spec: eng, ref_peak: 588, id: 587, d: 2.23, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG3 -   MET26  HB3    d: 2.95 +/- 0.12, weight: 0.5

      MET26  HG3 -   MET26  HB3    d: 2.89 +/- 0.19, weight: 0.5

ref_spec: eng, ref_peak: 589, id: 588, d: 2.18, u: 2.38, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG3 -   MET26  HB2    d: 2.38 +/- 0.04, weight: 0.5

      MET26  HG3 -   MET26  HB2    d: 2.40 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 590, id: 589, d: 2.37, u: 2.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      HIS51  HB2 -   HIS51   HA    d: 2.79 +/- 0.05, weight: 0.5

      HIS51  HB2 -   HIS51   HA    d: 2.79 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 591, id: 590, d: 4.72, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG3 -   GLU27   HA    d: 6.19 +/- 0.08, weight: 0.2

      GLU31  HG2 -   GLU27   HA    d: 7.22 +/- 1.63, weight: 0.1
      GLU31  HG3 -   GLU27   HA

      GLU31  HG2 -   LYS30   HA    d: 6.73 +/- 0.75, weight: 0.1
      GLU31  HG3 -   LYS30   HA

      MET26  HG3 -   GLU27   HA    d: 6.22 +/- 0.13, weight: 0.2

      GLU31  HG2 -   LYS30   HA    d: 6.73 +/- 0.75, weight: 0.1
      GLU31  HG3 -   LYS30   HA

ref_spec: eng, ref_peak: 592, id: 591, d: 3.08, u: 2.95, u_viol: 0.13, %_viol: 90.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   SER37   HA    d: 3.52 +/- 0.41, weight: 0.5

      CYS40  HB2 -   SER37   HA    d: 3.55 +/- 0.39, weight: 0.5

ref_spec: eng, ref_peak: 593, id: 592, d: 3.80, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27  HG2 -   ILE28   HA    d: 4.06 +/- 0.02, weight: 0.5
      GLU27  HG3 -   ILE28   HA

      GLU27  HG2 -   ILE28   HA    d: 4.06 +/- 0.02, weight: 0.5
      GLU27  HG3 -   ILE28   HA

ref_spec: eng, ref_peak: 594, id: 593, d: 5.19, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   SER37    H    d: 5.97 +/- 0.34, weight: 0.4

      CYS40  HB2 -   SER37    H    d: 5.92 +/- 0.41, weight: 0.4

ref_spec: eng, ref_peak: 595, id: 594, d: 4.67, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HG2 -   ASP49    H    d: 4.83 +/- 0.41, weight: 0.4

      GLU46  HG2 -   ASP49    H    d: 4.77 +/- 0.38, weight: 0.5

ref_spec: eng, ref_peak: 596, id: 595, d: 2.56, u: 2.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   CYS40    H    d: 2.93 +/- 0.29, weight: 0.5

      CYS40  HB2 -   CYS40    H    d: 2.98 +/- 0.24, weight: 0.5

ref_spec: eng, ref_peak: 597, id: 596, d: 3.22, u: 3.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HG2 -   TYR47   HA    d: 3.44 +/- 0.79, weight: 0.4

      GLU46  HG2 -   TYR47   HA    d: 4.03 +/- 0.37, weight: 0.1

      GLU46  HG2 -   TYR47   HA    d: 3.43 +/- 0.79, weight: 0.4

ref_spec: eng, ref_peak: 598, id: 597, d: 3.44, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   ARG41   HA    d: 5.04 +/- 0.57, weight: 0.1

      CYS40  HB2 -   ARG41   HA    d: 4.01 +/- 0.39, weight: 0.4

      CYS40  HB2 -   ARG41   HA    d: 4.06 +/- 0.49, weight: 0.4

ref_spec: eng, ref_peak: 599, id: 598, d: 5.58, u: 6.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   LEU36   HA    d: 6.21 +/- 0.43, weight: 0.5

      CYS40  HB2 -   LEU36   HA    d: 6.28 +/- 0.26, weight: 0.4

ref_spec: eng, ref_peak: 600, id: 599, d: 2.64, u: 3.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   CYS40   HA    d: 2.90 +/- 0.22, weight: 0.5

      CYS40  HB2 -   CYS40   HA    d: 2.90 +/- 0.20, weight: 0.5

ref_spec: eng, ref_peak: 601, id: 600, d: 6.07, u: 6.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   ILE44   HA    d: 7.16 +/- 0.37, weight: 0.3

      CYS40  HB2 -   ILE44   HA    d: 7.17 +/- 0.37, weight: 0.3

      CYS40  HB2 -   ILE44   HA    d: 7.90 +/- 0.24, weight: 0.2

ref_spec: eng, ref_peak: 602, id: 601, d: 5.41, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   ASP38  HB3    d: 7.52 +/- 0.43, weight: 0.1

      CYS40  HB2 -   ARG41  HD2    d: 6.91 +/- 0.77, weight: 0.2

      CYS40  HB2 -   TYR47  HB3    d: 9.10 +/- 0.50, weight: 0.0

      CYS40  HB2 -   TYR47  HB3    d: 8.92 +/- 0.43, weight: 0.1

      CYS40  HB2 -   ASP38  HB3    d: 7.55 +/- 0.44, weight: 0.1

      CYS40  HB2 -   ARG41  HD2    d: 6.87 +/- 0.74, weight: 0.2

ref_spec: eng, ref_peak: 603, id: 602, d: 1.56, u: 2.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   CYS40  HB3    d: 1.76 +/- 0.00, weight: 0.5

      CYS40  HB2 -   CYS40  HB3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 604, id: 603, d: 2.62, u: 3.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      CYS40  HB2 -   VAL15 HG21    d: 3.83 +/- 0.85, weight: 0.4
      CYS40  HB2 -   VAL15 HG22
      CYS40  HB2 -   VAL15 HG23

      CYS40  HB2 -   VAL15 HG21    d: 3.86 +/- 0.86, weight: 0.4
      CYS40  HB2 -   VAL15 HG22
      CYS40  HB2 -   VAL15 HG23

ref_spec: eng, ref_peak: 606, id: 605, d: 3.96, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HG2 -   GLU46    H    d: 3.97 +/- 0.26, weight: 0.5

      GLU46  HG2 -   GLU46    H    d: 3.99 +/- 0.26, weight: 0.5

ref_spec: eng, ref_peak: 607, id: 606, d: 2.30, u: 3.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HG2 -   GLU46  HB2    d: 2.71 +/- 0.05, weight: 0.5
      GLU46  HG2 -   GLU46  HB3

      GLU46  HG2 -   GLU46  HB2    d: 2.69 +/- 0.08, weight: 0.5
      GLU46  HG2 -   GLU46  HB3

ref_spec: eng, ref_peak: 608, id: 607, d: 2.86, u: 3.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50  HB2 -   ASN50    H    d: 2.97 +/- 0.63, weight: 0.5

      ASN50  HB2 -   ASN50    H    d: 2.93 +/- 0.62, weight: 0.5

ref_spec: eng, ref_peak: 609, id: 608, d: 2.22, u: 3.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HG2 -   ASN50 HD22    d: 3.11 +/- 0.98, weight: 0.2

      ASN50  HB2 -   ASN50 HD22    d: 3.18 +/- 0.68, weight: 0.2

      GLU46  HG2 -   ASN50 HD22    d: 2.91 +/- 0.81, weight: 0.3

      ASN50  HB2 -   ASN50 HD22    d: 3.27 +/- 0.73, weight: 0.2

ref_spec: eng, ref_peak: 610, id: 609, d: 2.19, u: 3.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50  HB2 -   ASN50 HD21    d: 3.38 +/- 0.54, weight: 0.1

      GLU46  HG2 -   ASN50 HD21    d: 3.05 +/- 1.01, weight: 0.3

      ASN50  HB2 -   ASN50 HD21    d: 3.21 +/- 0.58, weight: 0.2

      GLU46  HG2 -   ASN50 HD21    d: 3.00 +/- 0.81, weight: 0.3

ref_spec: eng, ref_peak: 611, id: 610, d: 2.27, u: 2.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASN50  HB2 -   ASN50   HA    d: 2.76 +/- 0.26, weight: 0.5

      ASN50  HB2 -   ASN50   HA    d: 2.73 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 612, id: 611, d: 2.05, u: 1.94, u_viol: 0.14, %_viol: 20.0, viol: no, reliable: no, a_type: A
      GLN19  HG3 -   GLU20    H    d: 3.17 +/- 0.91, weight: 0.4

      GLN19  HG3 -   GLU20    H    d: 2.93 +/- 0.94, weight: 0.6

ref_spec: eng, ref_peak: 613, id: 612, d: 2.30, u: 5.32, u_viol: 0.00, %_viol: 15.0, viol: no, reliable: no, a_type: A
      GLN19  HG2 -   GLU20    H    d: 3.06 +/- 1.10, weight: 0.6

      GLN19  HG2 -   GLU20    H    d: 3.30 +/- 1.04, weight: 0.4

ref_spec: eng, ref_peak: 614, id: 613, d: 2.74, u: 5.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HG3 -   GLN19    H    d: 3.17 +/- 0.53, weight: 0.5

      GLN19  HG3 -   GLN19    H    d: 3.09 +/- 0.58, weight: 0.5

ref_spec: eng, ref_peak: 615, id: 614, d: 2.81, u: 5.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HG2 -   GLN19    H    d: 3.12 +/- 0.64, weight: 0.5

      GLN19  HG2 -   GLN19    H    d: 3.20 +/- 0.59, weight: 0.5

ref_spec: eng, ref_peak: 616, id: 615, d: 2.63, u: 4.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HG3 -   GLN19 HE22    d: 2.98 +/- 0.61, weight: 0.4

      GLN19  HG3 -   GLN19 HE22    d: 2.86 +/- 0.60, weight: 0.6

ref_spec: eng, ref_peak: 617, id: 616, d: 2.64, u: 4.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HG2 -   GLN19 HE22    d: 3.01 +/- 0.58, weight: 0.6

      GLN19  HG2 -   GLN19 HE22    d: 3.17 +/- 0.55, weight: 0.4

ref_spec: eng, ref_peak: 618, id: 617, d: 3.37, u: 3.54, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HG3 -   GLN19 HE21    d: 3.79 +/- 0.29, weight: 0.5

      GLN19  HG3 -   GLN19 HE21    d: 3.70 +/- 0.33, weight: 0.5

ref_spec: eng, ref_peak: 619, id: 618, d: 3.39, u: 5.60, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HG2 -   GLN19 HE21    d: 3.80 +/- 0.29, weight: 0.5

      GLN19  HG2 -   GLN19 HE21    d: 3.85 +/- 0.31, weight: 0.5

ref_spec: eng, ref_peak: 620, id: 619, d: 3.35, u: 4.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HG2 -   GLN19   HA    d: 3.80 +/- 0.32, weight: 0.5

      GLN19  HG2 -   GLN19   HA    d: 3.89 +/- 0.33, weight: 0.4

ref_spec: eng, ref_peak: 621, id: 620, d: 2.36, u: 3.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HG3 -   GLN19  HB2    d: 2.67 +/- 0.27, weight: 0.5

      GLN19  HG3 -   GLN19  HB2    d: 2.69 +/- 0.25, weight: 0.5

ref_spec: eng, ref_peak: 622, id: 621, d: 2.11, u: 2.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG2 -   MET26    H    d: 3.01 +/- 0.30, weight: 0.4

      MET26  HG2 -   MET26    H    d: 2.87 +/- 0.38, weight: 0.6

ref_spec: eng, ref_peak: 623, id: 622, d: 2.35, u: 2.72, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31  HB3 -   GLU31    H    d: 2.84 +/- 0.48, weight: 0.4

      GLU31  HB3 -   GLU31    H    d: 2.68 +/- 0.38, weight: 0.6

ref_spec: eng, ref_peak: 624, id: 623, d: 2.58, u: 3.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG2 -   MET26   HA    d: 2.75 +/- 0.40, weight: 0.5

      MET26  HG2 -   MET26   HA    d: 2.73 +/- 0.33, weight: 0.5

ref_spec: eng, ref_peak: 625, id: 624, d: 2.45, u: 3.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31  HB3 -   GLU31   HA    d: 2.80 +/- 0.28, weight: 0.5

      GLU31  HB3 -   GLU31   HA    d: 2.83 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 626, id: 625, d: 2.57, u: 3.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31  HB3 -   ILE28   HA    d: 3.27 +/- 0.69, weight: 0.4

      GLU31  HB3 -   ILE28   HA    d: 3.09 +/- 0.53, weight: 0.5

ref_spec: eng, ref_peak: 627, id: 626, d: 1.57, u: 2.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HG2 -   MET26  HG3    d: 1.76 +/- 0.00, weight: 0.5

      MET26  HG2 -   MET26  HG3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 628, id: 627, d: 1.40, u: 1.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27  HB3 -   GLU27  HB2    d: 1.76 +/- 0.00, weight: 0.3

      GLU31  HB3 -   GLU31  HB2    d: 1.76 +/- 0.00, weight: 0.2

      GLU27  HB3 -   GLU27  HB2    d: 1.76 +/- 0.00, weight: 0.3

      GLU31  HB3 -   GLU31  HB2    d: 1.76 +/- 0.00, weight: 0.2

ref_spec: eng, ref_peak: 629, id: 628, d: 5.54, u: 6.00, u_viol: 0.06, %_viol: 5.0, viol: no, reliable: no, a_type: A
      MET26  HG2 -   LEU25 HD11    d: 5.03 +/- 0.77, weight: 0.5
      MET26  HG2 -   LEU25 HD12
      MET26  HG2 -   LEU25 HD13

      MET26  HG2 -   LEU25 HD11    d: 4.95 +/- 0.74, weight: 0.5
      MET26  HG2 -   LEU25 HD12
      MET26  HG2 -   LEU25 HD13

ref_spec: eng, ref_peak: 630, id: 629, d: 2.17, u: 2.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HB3 -    PRO4   HA    d: 2.53 +/- 0.30, weight: 0.4

       PRO4  HB3 -    PRO4   HA    d: 2.43 +/- 0.25, weight: 0.6

ref_spec: eng, ref_peak: 631, id: 630, d: 2.21, u: 3.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HB3 -    PRO4  HG2    d: 2.48 +/- 0.04, weight: 0.5
       PRO4  HB3 -    PRO4  HG3

       PRO4  HB3 -    PRO4  HG2    d: 2.49 +/- 0.04, weight: 0.5
       PRO4  HB3 -    PRO4  HG3

ref_spec: eng, ref_peak: 632, id: 631, d: 6.48, u: 6.00, u_viol: 0.72, %_viol: 90.0, viol: yes, reliable: no, a_type: A
      GLU20  HG2 -   TRP21  HE1    d: 6.09 +/- 0.36, weight: 0.5
      GLU20  HG3 -   TRP21  HE1

      GLU20  HG2 -   TRP21  HE1    d: 6.09 +/- 0.36, weight: 0.5
      GLU20  HG3 -   TRP21  HE1

ref_spec: eng, ref_peak: 633, id: 632, d: 4.01, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   TRP21  HH2    d: 4.49 +/- 0.27, weight: 0.3

      PRO18  HD2 -   TRP21    H    d: 4.65 +/- 0.80, weight: 0.3

      PRO18  HD2 -   TRP21  HH2    d: 4.54 +/- 0.28, weight: 0.3

ref_spec: eng, ref_peak: 634, id: 633, d: 2.16, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   ILE17   HA    d: 2.26 +/- 0.49, weight: 0.7

      PRO18  HD2 -   ILE17   HA    d: 2.62 +/- 0.51, weight: 0.3

ref_spec: eng, ref_peak: 635, id: 634, d: 3.40, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   PRO18   HA    d: 3.83 +/- 0.11, weight: 0.5

      PRO18  HD2 -   PRO18   HA    d: 3.86 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 636, id: 635, d: 3.27, u: 4.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   TRP21  HB3    d: 4.92 +/- 0.40, weight: 0.4

      PRO18  HD2 -   TRP21  HB3    d: 4.57 +/- 0.75, weight: 0.6

ref_spec: eng, ref_peak: 637, id: 636, d: 1.58, u: 2.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   PRO18  HD3    d: 1.78 +/- 0.00, weight: 0.5

      PRO18  HD2 -   PRO18  HD3    d: 1.78 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 638, id: 637, d: 3.63, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   ILE17 HG21    d: 4.79 +/- 0.31, weight: 0.5
      PRO18  HD2 -   ILE17 HG22
      PRO18  HD2 -   ILE17 HG23

      PRO18  HD2 -   ILE17 HG21    d: 4.69 +/- 0.26, weight: 0.5
      PRO18  HD2 -   ILE17 HG22
      PRO18  HD2 -   ILE17 HG23

ref_spec: eng, ref_peak: 639, id: 638, d: 2.25, u: 3.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HD2 -   PRO18  HG2    d: 2.54 +/- 0.18, weight: 0.4

      PRO18  HD2 -   PRO18  HG2    d: 2.44 +/- 0.18, weight: 0.6

ref_spec: eng, ref_peak: 640, id: 639, d: 2.35, u: 2.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31  HB2 -   GLU31    H    d: 2.67 +/- 0.38, weight: 0.6

      GLU31  HB2 -   GLU31    H    d: 2.83 +/- 0.49, weight: 0.4

ref_spec: eng, ref_peak: 641, id: 640, d: 4.75, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20  HG2 -   TRP21  HD1    d: 4.94 +/- 0.17, weight: 0.5
      GLU20  HG3 -   TRP21  HD1

      GLU20  HG2 -   TRP21  HD1    d: 4.94 +/- 0.17, weight: 0.5
      GLU20  HG3 -   TRP21  HD1

ref_spec: eng, ref_peak: 642, id: 641, d: 2.32, u: 2.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU31  HB2 -   GLU31   HA    d: 2.70 +/- 0.27, weight: 0.5

      GLU31  HB2 -   GLU31   HA    d: 2.67 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 643, id: 642, d: 2.09, u: 3.11, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20  HG2 -   GLU20    H    d: 2.14 +/- 0.04, weight: 0.5
      GLU20  HG3 -   GLU20    H

      GLU20  HG2 -   GLU20    H    d: 2.14 +/- 0.03, weight: 0.5
      GLU20  HG3 -   GLU20    H

ref_spec: eng, ref_peak: 644, id: 643, d: 3.99, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   GLU20  HG2    d: 4.19 +/- 0.04, weight: 0.5
      GLN19    H -   GLU20  HG3

      GLN19    H -   GLU20  HG2    d: 4.19 +/- 0.04, weight: 0.5
      GLN19    H -   GLU20  HG3

ref_spec: eng, ref_peak: 645, id: 644, d: 2.73, u: 2.61, u_viol: 0.41, %_viol: 45.0, viol: no, reliable: no, a_type: A
      GLU20  HG2 -   GLU20   HA    d: 2.96 +/- 0.21, weight: 0.5
      GLU20  HG3 -   GLU20   HA

      GLU20  HG2 -   GLU20   HA    d: 2.96 +/- 0.21, weight: 0.5
      GLU20  HG3 -   GLU20   HA

ref_spec: eng, ref_peak: 646, id: 645, d: 4.96, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27  HB3 -   MET26  HB3    d: 6.13 +/- 0.24, weight: 0.5

      GLU27  HB3 -   MET26  HB3    d: 6.13 +/- 0.25, weight: 0.5

ref_spec: eng, ref_peak: 647, id: 646, d: 1.56, u: 2.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HB3 -   GLN19  HB2    d: 1.76 +/- 0.00, weight: 0.5

      GLN19  HB3 -   GLN19  HB2    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 648, id: 647, d: 2.35, u: 3.26, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27  HB2 -   ILE28    H    d: 3.20 +/- 0.66, weight: 0.5

      GLU27  HB2 -   ILE28    H    d: 3.20 +/- 0.67, weight: 0.5

ref_spec: eng, ref_peak: 649, id: 648, d: 2.22, u: 3.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HB3 -   GLN19   HA    d: 2.46 +/- 0.12, weight: 0.5

      GLN19  HB3 -   GLN19   HA    d: 2.47 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 650, id: 649, d: 2.26, u: 2.82, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HB2 -   GLU46    H    d: 2.36 +/- 0.08, weight: 0.5
      GLU46  HB3 -   GLU46    H

      GLU46  HB2 -   GLU46    H    d: 2.36 +/- 0.08, weight: 0.5
      GLU46  HB3 -   GLU46    H

ref_spec: eng, ref_peak: 651, id: 650, d: 2.59, u: 4.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HB2 -   TYR47  HD1    d: 3.51 +/- 0.39, weight: 0.5
      GLU46  HB2 -   TYR47  HD2
      GLU46  HB3 -   TYR47  HD1
      GLU46  HB3 -   TYR47  HD2

      GLU46  HB2 -   TYR47  HD1    d: 3.51 +/- 0.39, weight: 0.5
      GLU46  HB2 -   TYR47  HD2
      GLU46  HB3 -   TYR47  HD1
      GLU46  HB3 -   TYR47  HD2

ref_spec: eng, ref_peak: 652, id: 651, d: 3.25, u: 7.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HB2 -   TYR47  HE1    d: 4.41 +/- 0.48, weight: 0.5
      GLU46  HB2 -   TYR47  HE2
      GLU46  HB3 -   TYR47  HE1
      GLU46  HB3 -   TYR47  HE2

      GLU46  HB2 -   TYR47  HE1    d: 4.41 +/- 0.48, weight: 0.5
      GLU46  HB2 -   TYR47  HE2
      GLU46  HB3 -   TYR47  HE1
      GLU46  HB3 -   TYR47  HE2

ref_spec: eng, ref_peak: 653, id: 652, d: 2.27, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU46  HB2 -   GLU46   HA    d: 2.53 +/- 0.06, weight: 0.4
      GLU46  HB3 -   GLU46   HA

      GLU46  HB2 -   GLU46   HA    d: 2.53 +/- 0.06, weight: 0.4
      GLU46  HB3 -   GLU46   HA

ref_spec: eng, ref_peak: 654, id: 653, d: 2.43, u: 3.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HB -   CYS40    H    d: 2.90 +/- 0.06, weight: 0.5

      VAL39   HB -   CYS40    H    d: 2.90 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 655, id: 654, d: 2.50, u: 3.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HB -   LEU36   HA    d: 2.99 +/- 0.18, weight: 0.5

      VAL39   HB -   LEU36   HA    d: 2.99 +/- 0.18, weight: 0.5

ref_spec: eng, ref_peak: 656, id: 655, d: 2.28, u: 2.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HB -   VAL39 HG21    d: 2.56 +/- 0.00, weight: 0.5
      VAL39   HB -   VAL39 HG22
      VAL39   HB -   VAL39 HG23

      VAL39   HB -   VAL39 HG21    d: 2.56 +/- 0.00, weight: 0.5
      VAL39   HB -   VAL39 HG22
      VAL39   HB -   VAL39 HG23

ref_spec: eng, ref_peak: 657, id: 656, d: 2.28, u: 3.09, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39   HB -   VAL39 HG11    d: 2.56 +/- 0.00, weight: 0.5
      VAL39   HB -   VAL39 HG12
      VAL39   HB -   VAL39 HG13

      VAL39   HB -   VAL39 HG11    d: 2.56 +/- 0.00, weight: 0.5
      VAL39   HB -   VAL39 HG12
      VAL39   HB -   VAL39 HG13

ref_spec: eng, ref_peak: 658, id: 657, d: 2.54, u: 3.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20  HB2 -   GLU20    H    d: 2.92 +/- 0.03, weight: 0.5
      GLU20  HB3 -   GLU20    H

      GLU20  HB2 -   GLU20    H    d: 2.92 +/- 0.03, weight: 0.5
      GLU20  HB3 -   GLU20    H

ref_spec: eng, ref_peak: 659, id: 658, d: 2.26, u: 2.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HB2 -   MET26    H    d: 2.66 +/- 0.04, weight: 0.5

      MET26  HB2 -   MET26    H    d: 2.66 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 660, id: 659, d: 2.89, u: 4.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20  HB2 -   TRP21    H    d: 3.13 +/- 0.08, weight: 0.5
      GLU20  HB3 -   TRP21    H

      GLU20  HB2 -   TRP21    H    d: 3.13 +/- 0.08, weight: 0.5
      GLU20  HB3 -   TRP21    H

ref_spec: eng, ref_peak: 661, id: 660, d: 3.17, u: 4.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20  HB2 -   TRP21  HD1    d: 2.67 +/- 0.17, weight: 0.5
      GLU20  HB3 -   TRP21  HD1

      GLU20  HB2 -   TRP21  HD1    d: 2.67 +/- 0.17, weight: 0.5
      GLU20  HB3 -   TRP21  HD1

ref_spec: eng, ref_peak: 662, id: 661, d: 3.95, u: 4.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU20  HB2 -   TRP21   HA    d: 4.49 +/- 0.02, weight: 0.4
      GLU20  HB3 -   TRP21   HA

      GLU20  HB2 -   TRP21   HA    d: 4.49 +/- 0.02, weight: 0.4
      GLU20  HB3 -   TRP21   HA

ref_spec: eng, ref_peak: 663, id: 662, d: 4.43, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HB2 -   GLU27  HB3    d: 4.97 +/- 0.32, weight: 0.5

      MET26  HB2 -   GLU27  HB3    d: 4.96 +/- 0.33, weight: 0.5

ref_spec: eng, ref_peak: 664, id: 663, d: 4.50, u: 4.35, u_viol: 0.31, %_viol: 65.0, viol: no, reliable: no, a_type: A
      MET26  HB2 -   ALA29  HB1    d: 4.90 +/- 0.07, weight: 0.5
      MET26  HB2 -   ALA29  HB2
      MET26  HB2 -   ALA29  HB3

      MET26  HB2 -   ALA29  HB1    d: 4.90 +/- 0.07, weight: 0.5
      MET26  HB2 -   ALA29  HB2
      MET26  HB2 -   ALA29  HB3

ref_spec: eng, ref_peak: 665, id: 664, d: 5.21, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      MET26  HB2 -   LEU25   HG    d: 7.40 +/- 0.08, weight: 0.1

      MET26  HB2 -   ILE28 HG12    d: 6.64 +/- 0.51, weight: 0.2

      MET26  HB2 -   LEU36 HD21    d: 7.48 +/- 0.42, weight: 0.1
      MET26  HB2 -   LEU36 HD22
      MET26  HB2 -   LEU36 HD23

      MET26  HB2 -   LEU25   HG    d: 7.40 +/- 0.08, weight: 0.1

      MET26  HB2 -   ILE28 HG12    d: 6.64 +/- 0.54, weight: 0.2

      MET26  HB2 -   LEU36 HD21    d: 7.48 +/- 0.42, weight: 0.1
      MET26  HB2 -   LEU36 HD22
      MET26  HB2 -   LEU36 HD23

ref_spec: eng, ref_peak: 666, id: 665, d: 5.65, u: 6.00, u_viol: 0.12, %_viol: 5.0, viol: no, reliable: no, a_type: A
      MET26  HB2 -   LEU25 HD11    d: 6.57 +/- 0.35, weight: 0.2
      MET26  HB2 -   LEU25 HD12
      MET26  HB2 -   LEU25 HD13

      MET26  HB2 -   ILE28 HD11    d: 8.39 +/- 0.09, weight: 0.1
      MET26  HB2 -   ILE28 HD12
      MET26  HB2 -   ILE28 HD13

      MET26  HB2 -   LEU36 HD11    d: 7.36 +/- 0.50, weight: 0.1
      MET26  HB2 -   LEU36 HD12
      MET26  HB2 -   LEU36 HD13

      MET26  HB2 -   LEU25 HD11    d: 6.57 +/- 0.35, weight: 0.2
      MET26  HB2 -   LEU25 HD12
      MET26  HB2 -   LEU25 HD13

      MET26  HB2 -   ILE28 HD11    d: 8.39 +/- 0.09, weight: 0.1
      MET26  HB2 -   ILE28 HD12
      MET26  HB2 -   ILE28 HD13

      MET26  HB2 -   LEU36 HD11    d: 7.36 +/- 0.50, weight: 0.1
      MET26  HB2 -   LEU36 HD12
      MET26  HB2 -   LEU36 HD13

ref_spec: eng, ref_peak: 667, id: 666, d: 3.26, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54  HB3 -   GLN54    H    d: 3.56 +/- 0.51, weight: 0.4

      GLN54  HB3 -   GLN54    H    d: 3.43 +/- 0.50, weight: 0.6

ref_spec: eng, ref_peak: 668, id: 667, d: 1.57, u: 1.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54  HB3 -   GLN54  HB2    d: 1.76 +/- 0.00, weight: 0.5

      GLN54  HB3 -   GLN54  HB2    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 669, id: 668, d: 3.43, u: 3.50, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HB2 -   GLU20    H    d: 3.87 +/- 0.34, weight: 0.5

      GLN19  HB2 -   GLU20    H    d: 3.86 +/- 0.34, weight: 0.5

ref_spec: eng, ref_peak: 670, id: 669, d: 2.51, u: 3.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HB2 -   GLN19    H    d: 2.94 +/- 0.61, weight: 0.5

      GLN19  HB2 -   GLN19    H    d: 2.85 +/- 0.59, weight: 0.5

ref_spec: eng, ref_peak: 671, id: 670, d: 3.39, u: 3.87, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HB -   TRP21  HH2    d: 4.11 +/- 0.57, weight: 0.5

      ILE44   HB -   TRP21  HH2    d: 4.11 +/- 0.58, weight: 0.5

ref_spec: eng, ref_peak: 672, id: 671, d: 3.75, u: 4.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HB -   TRP21  HZ3    d: 3.79 +/- 0.22, weight: 0.5

      ILE44   HB -   TRP21  HZ3    d: 3.79 +/- 0.22, weight: 0.5

ref_spec: eng, ref_peak: 673, id: 672, d: 3.88, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HB -   ARG41   HA    d: 4.45 +/- 0.23, weight: 0.5

      ILE44   HB -   ARG41   HA    d: 4.45 +/- 0.23, weight: 0.5

ref_spec: eng, ref_peak: 674, id: 673, d: 2.18, u: 2.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19  HB2 -   GLN19   HA    d: 2.51 +/- 0.19, weight: 0.5

      GLN19  HB2 -   GLN19   HA    d: 2.52 +/- 0.19, weight: 0.5

ref_spec: eng, ref_peak: 675, id: 674, d: 2.55, u: 3.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HB -   ILE44   HA    d: 2.87 +/- 0.05, weight: 0.5

      ILE44   HB -   ILE44   HA    d: 2.87 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 676, id: 675, d: 2.67, u: 3.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HB -   ILE44 HG12    d: 2.97 +/- 0.09, weight: 0.5

      ILE44   HB -   ILE44 HG12    d: 2.97 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 677, id: 676, d: 4.76, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44   HB -   LEU25   HG    d: 3.59 +/- 0.27, weight: 0.5

      ILE44   HB -   LEU25   HG    d: 3.59 +/- 0.28, weight: 0.5

ref_spec: eng, ref_peak: 678, id: 677, d: 2.78, u: 2.74, u_viol: 0.25, %_viol: 30.0, viol: no, reliable: no, a_type: A
      ILE44   HB -   ILE44 HD11    d: 3.21 +/- 0.11, weight: 0.5
      ILE44   HB -   ILE44 HD12
      ILE44   HB -   ILE44 HD13

      ILE44   HB -   ILE44 HD11    d: 3.21 +/- 0.11, weight: 0.5
      ILE44   HB -   ILE44 HD12
      ILE44   HB -   ILE44 HD13

ref_spec: eng, ref_peak: 679, id: 678, d: 4.41, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HB3 -   ALA29    H    d: 5.04 +/- 0.03, weight: 0.5

      LYS30  HB3 -   ALA29    H    d: 5.04 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 680, id: 679, d: 2.29, u: 2.32, u_viol: 0.16, %_viol: 5.0, viol: no, reliable: no, a_type: A
      LYS32  HB3 -   LYS32    H    d: 2.89 +/- 0.61, weight: 0.6

      LYS32  HB3 -   LYS32    H    d: 3.01 +/- 0.62, weight: 0.4

ref_spec: eng, ref_peak: 681, id: 680, d: 3.16, u: 3.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HG2 -    PRO4   HA    d: 3.63 +/- 0.30, weight: 0.5
       PRO4  HG3 -    PRO4   HA

       PRO4  HG2 -    PRO4   HA    d: 3.63 +/- 0.30, weight: 0.5
       PRO4  HG3 -    PRO4   HA

ref_spec: eng, ref_peak: 682, id: 681, d: 2.45, u: 2.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HB3 -   LYS32   HA    d: 2.81 +/- 0.23, weight: 0.5

      LYS32  HB3 -   LYS32   HA    d: 2.76 +/- 0.23, weight: 0.5

ref_spec: eng, ref_peak: 683, id: 682, d: 2.22, u: 2.92, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HG2 -    PRO4  HD2    d: 2.49 +/- 0.03, weight: 0.5
       PRO4  HG3 -    PRO4  HD2

       PRO4  HG2 -    PRO4  HD2    d: 2.47 +/- 0.03, weight: 0.5
       PRO4  HG3 -    PRO4  HD2

ref_spec: eng, ref_peak: 684, id: 683, d: 2.63, u: 2.72, u_viol: 0.44, %_viol: 5.0, viol: no, reliable: no, a_type: A
      LYS32  HB3 -   LYS32  HD2    d: 3.18 +/- 0.56, weight: 0.5
      LYS32  HB3 -   LYS32  HD3

      LYS32  HB3 -   LYS32  HD2    d: 3.11 +/- 0.56, weight: 0.5
      LYS32  HB3 -   LYS32  HD3

ref_spec: eng, ref_peak: 685, id: 684, d: 1.54, u: 2.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HB3 -   LYS32  HB2    d: 1.76 +/- 0.00, weight: 0.5

      LYS32  HB3 -   LYS32  HB2    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 686, id: 685, d: 2.27, u: 2.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HB3 -   GLU31    H    d: 2.57 +/- 0.04, weight: 0.5

      LYS30  HB3 -   GLU31    H    d: 2.56 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 687, id: 686, d: 2.56, u: 3.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HB3 -   GLU27   HA    d: 3.40 +/- 0.07, weight: 0.2

      LYS30  HB3 -   LYS30   HA    d: 3.03 +/- 0.00, weight: 0.3

      LYS30  HB3 -   LYS30   HA    d: 3.03 +/- 0.00, weight: 0.3

ref_spec: eng, ref_peak: 688, id: 687, d: 2.87, u: 3.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54  HB2 -   GLN54    H    d: 3.52 +/- 0.43, weight: 0.6

      GLN54  HB2 -   GLN54    H    d: 3.65 +/- 0.41, weight: 0.4

ref_spec: eng, ref_peak: 689, id: 688, d: 3.05, u: 3.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB3 -   TRP21    H    d: 3.12 +/- 0.66, weight: 0.8

      PRO18  HB3 -   TRP21    H    d: 3.82 +/- 0.79, weight: 0.2

ref_spec: eng, ref_peak: 690, id: 689, d: 4.63, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB3 -   ILE17   HA    d: 5.30 +/- 0.14, weight: 0.5

      PRO18  HB3 -   ILE17   HA    d: 5.25 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 691, id: 690, d: 3.18, u: 3.68, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB3 -   PRO18  HD3    d: 3.69 +/- 0.42, weight: 0.5

      PRO18  HB3 -   PRO18  HD3    d: 3.65 +/- 0.44, weight: 0.5

ref_spec: eng, ref_peak: 692, id: 691, d: 2.29, u: 2.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN54  HB2 -   GLN54  HG2    d: 2.61 +/- 0.06, weight: 0.5
      GLN54  HB2 -   GLN54  HG3

      GLN54  HB2 -   GLN54  HG2    d: 2.62 +/- 0.05, weight: 0.5
      GLN54  HB2 -   GLN54  HG3

ref_spec: eng, ref_peak: 693, id: 692, d: 2.63, u: 4.01, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB3 -   GLN19    H    d: 3.35 +/- 0.27, weight: 0.6

      PRO18  HB3 -   GLN19    H    d: 3.49 +/- 0.24, weight: 0.4

ref_spec: eng, ref_peak: 694, id: 693, d: 2.41, u: 3.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34  HB3 -   LEU34   HA    d: 2.86 +/- 0.26, weight: 0.3

      LEU34  HB3 -   LEU34   HA    d: 2.58 +/- 0.26, weight: 0.7

ref_spec: eng, ref_peak: 695, id: 694, d: 2.72, u: 3.03, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34  HB3 -   ASP38  HB2    d: 3.77 +/- 0.59, weight: 0.2

      LEU34  HB3 -   ASP38  HB2    d: 3.14 +/- 0.59, weight: 0.7

ref_spec: eng, ref_peak: 696, id: 695, d: 3.36, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34  HB3 -   VAL39 HG21    d: 3.38 +/- 0.26, weight: 0.6
      LEU34  HB3 -   VAL39 HG22
      LEU34  HB3 -   VAL39 HG23

      LEU34  HB3 -   VAL39 HG21    d: 3.63 +/- 0.25, weight: 0.4
      LEU34  HB3 -   VAL39 HG22
      LEU34  HB3 -   VAL39 HG23

ref_spec: eng, ref_peak: 697, id: 696, d: 2.25, u: 4.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HB3 -   PRO18  HG2    d: 2.56 +/- 0.19, weight: 0.4

      PRO18  HB3 -   PRO18  HG2    d: 2.42 +/- 0.20, weight: 0.6

ref_spec: eng, ref_peak: 698, id: 697, d: 4.46, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17   HB -   ARG41   HA    d: 4.30 +/- 0.10, weight: 0.4

      ILE17   HB -   ARG41   HA    d: 4.30 +/- 0.10, weight: 0.4

ref_spec: eng, ref_peak: 699, id: 698, d: 3.26, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HG2 -   ARG24    H    d: 3.45 +/- 0.44, weight: 0.5
      ARG24  HG3 -   ARG24    H

      ARG24  HG2 -   ARG24    H    d: 3.45 +/- 0.44, weight: 0.5
      ARG24  HG3 -   ARG24    H

ref_spec: eng, ref_peak: 700, id: 699, d: 2.34, u: 2.73, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24  HG2 -   ARG24  HD2    d: 2.63 +/- 0.03, weight: 0.5
      ARG24  HG3 -   ARG24  HD2

      ARG24  HG2 -   ARG24  HD2    d: 2.63 +/- 0.03, weight: 0.5
      ARG24  HG3 -   ARG24  HD2

ref_spec: eng, ref_peak: 701, id: 700, d: 2.38, u: 3.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36  HB3 -   LEU36    H    d: 2.50 +/- 0.43, weight: 0.4

      LEU36  HB3 -   LEU36    H    d: 2.34 +/- 0.17, weight: 0.6

ref_spec: eng, ref_peak: 702, id: 701, d: 3.38, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36  HB3 -   SER37    H    d: 3.67 +/- 0.12, weight: 0.5

      LEU36  HB3 -   SER37    H    d: 3.69 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 703, id: 702, d: 2.30, u: 2.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HB -   ILE28    H    d: 2.95 +/- 0.11, weight: 0.5

      ILE28   HB -   ILE28    H    d: 2.95 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 704, id: 703, d: 5.49, u: 7.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB3 -   TYR47  HD1    d: 5.52 +/- 0.31, weight: 0.4
      LEU42  HB3 -   TYR47  HD2

      LEU42  HB3 -   TYR47  HD1    d: 5.66 +/- 0.41, weight: 0.4
      LEU42  HB3 -   TYR47  HD2

ref_spec: eng, ref_peak: 705, id: 704, d: 4.36, u: 4.31, u_viol: 0.06, %_viol: 10.0, viol: no, reliable: no, a_type: A
      LEU36  HB3 -   THR35   HA    d: 4.70 +/- 0.44, weight: 0.4

      LEU36  HB3 -   THR35   HA    d: 4.53 +/- 0.16, weight: 0.5

ref_spec: eng, ref_peak: 706, id: 705, d: 2.69, u: 3.12, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB3 -   LEU42   HA    d: 2.65 +/- 0.31, weight: 0.6

      LEU42  HB3 -   LEU42   HA    d: 2.77 +/- 0.30, weight: 0.4

ref_spec: eng, ref_peak: 707, id: 706, d: 2.70, u: 2.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HB -   ILE28   HA    d: 2.98 +/- 0.03, weight: 0.5

      ILE28   HB -   ILE28   HA    d: 2.98 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 708, id: 707, d: 2.22, u: 3.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HB -   ILE28 HG13    d: 2.77 +/- 0.29, weight: 0.3

      ILE28   HB -   ILE28 HG13    d: 2.77 +/- 0.29, weight: 0.3

      LEU36  HB3 -   LEU36   HG    d: 2.94 +/- 0.16, weight: 0.2

ref_spec: eng, ref_peak: 709, id: 708, d: 2.28, u: 2.38, u_viol: 0.01, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HB -   ILE28 HG12    d: 2.61 +/- 0.26, weight: 0.5

      ILE28   HB -   ILE28 HG12    d: 2.61 +/- 0.26, weight: 0.5

ref_spec: eng, ref_peak: 710, id: 709, d: 2.21, u: 2.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28   HB -   ILE28 HD11    d: 3.09 +/- 0.35, weight: 0.2
      ILE28   HB -   ILE28 HD12
      ILE28   HB -   ILE28 HD13

      LEU36  HB3 -   LEU36 HD11    d: 3.00 +/- 0.17, weight: 0.2
      LEU36  HB3 -   LEU36 HD12
      LEU36  HB3 -   LEU36 HD13

      ILE28   HB -   ILE28 HD11    d: 3.09 +/- 0.35, weight: 0.2
      ILE28   HB -   ILE28 HD12
      ILE28   HB -   ILE28 HD13

      LEU36  HB3 -   LEU36 HD11    d: 2.93 +/- 0.17, weight: 0.3
      LEU36  HB3 -   LEU36 HD12
      LEU36  HB3 -   LEU36 HD13

ref_spec: eng, ref_peak: 711, id: 710, d: 1.56, u: 2.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB3 -   LEU42  HB2    d: 1.75 +/- 0.00, weight: 0.5

      LEU42  HB3 -   LEU42  HB2    d: 1.75 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 712, id: 711, d: 2.48, u: 2.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53  HB3 -   LYS53    H    d: 3.21 +/- 0.55, weight: 0.4

      LYS53  HB3 -   LYS53    H    d: 3.02 +/- 0.54, weight: 0.6

ref_spec: eng, ref_peak: 713, id: 712, d: 2.39, u: 2.74, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53  HB3 -   LYS53   HA    d: 2.77 +/- 0.26, weight: 0.5

      LYS53  HB3 -   LYS53   HA    d: 2.85 +/- 0.24, weight: 0.5

ref_spec: eng, ref_peak: 714, id: 713, d: 2.28, u: 2.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HB2 -    PRO4   HA    d: 2.70 +/- 0.26, weight: 0.4

       PRO4  HB2 -    PRO4   HA    d: 2.60 +/- 0.28, weight: 0.6

ref_spec: eng, ref_peak: 715, id: 714, d: 1.57, u: 2.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HB2 -    PRO4  HB3    d: 1.77 +/- 0.00, weight: 0.5

       PRO4  HB2 -    PRO4  HB3    d: 1.77 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 716, id: 715, d: 2.21, u: 2.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       PRO4  HB2 -    PRO4  HG2    d: 2.49 +/- 0.03, weight: 0.5
       PRO4  HB2 -    PRO4  HG3

       PRO4  HB2 -    PRO4  HG2    d: 2.48 +/- 0.04, weight: 0.5
       PRO4  HB2 -    PRO4  HG3

ref_spec: eng, ref_peak: 717, id: 716, d: 2.52, u: 3.16, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53  HB3 -   GLN54    H    d: 3.61 +/- 0.48, weight: 0.5

      LYS53  HB3 -   GLN54    H    d: 3.54 +/- 0.65, weight: 0.5

ref_spec: eng, ref_peak: 718, id: 717, d: 4.66, u: 5.23, u_viol: 0.02, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HG -   TRP21  HH2    d: 4.97 +/- 0.46, weight: 0.5

      LEU42   HG -   TRP21  HH2    d: 4.97 +/- 0.46, weight: 0.5

ref_spec: eng, ref_peak: 719, id: 718, d: 2.64, u: 3.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HG -   LEU42   HA    d: 3.17 +/- 0.08, weight: 0.5

      LEU42   HG -   LEU42   HA    d: 3.17 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 720, id: 719, d: 5.98, u: 6.00, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HG -   CYS40  HB2    d: 6.70 +/- 0.63, weight: 0.4

      LEU42   HG -   CYS40  HB2    d: 9.59 +/- 0.59, weight: 0.0

      LEU42   HG -   CYS40  HB2    d: 6.71 +/- 0.64, weight: 0.4

ref_spec: eng, ref_peak: 721, id: 720, d: 2.28, u: 2.25, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42   HG -   LEU42 HD11    d: 2.56 +/- 0.00, weight: 0.5
      LEU42   HG -   LEU42 HD12
      LEU42   HG -   LEU42 HD13

      LEU42   HG -   LEU42 HD11    d: 2.56 +/- 0.00, weight: 0.5
      LEU42   HG -   LEU42 HD12
      LEU42   HG -   LEU42 HD13

ref_spec: eng, ref_peak: 722, id: 721, d: 2.38, u: 3.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36  HB2 -   LEU36    H    d: 3.51 +/- 0.21, weight: 0.4

      LEU36  HB2 -   LEU36    H    d: 3.35 +/- 0.46, weight: 0.6

ref_spec: eng, ref_peak: 723, id: 722, d: 2.56, u: 3.17, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53  HB2 -   LYS53    H    d: 3.18 +/- 0.54, weight: 0.6

      LYS53  HB2 -   LYS53    H    d: 3.38 +/- 0.48, weight: 0.4

ref_spec: eng, ref_peak: 724, id: 723, d: 4.40, u: 5.29, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53  HB2 -   ASP52   HA    d: 5.11 +/- 0.61, weight: 0.4

      LYS53  HB2 -   ASP52   HA    d: 4.97 +/- 0.58, weight: 0.5

ref_spec: eng, ref_peak: 725, id: 724, d: 2.36, u: 2.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53  HB2 -   LYS53   HA    d: 2.71 +/- 0.27, weight: 0.5

      LYS53  HB2 -   LYS53   HA    d: 2.64 +/- 0.26, weight: 0.5

ref_spec: eng, ref_peak: 726, id: 725, d: 2.17, u: 3.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36  HB2 -   LEU36   HA    d: 2.38 +/- 0.11, weight: 0.5

      LEU36  HB2 -   LEU36   HA    d: 2.35 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 727, id: 726, d: 2.92, u: 3.29, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3  HB2 -    ARG3    H    d: 3.30 +/- 0.36, weight: 0.5
       ARG3  HB3 -    ARG3    H

       ARG3  HB2 -    ARG3    H    d: 3.30 +/- 0.36, weight: 0.5
       ARG3  HB3 -    ARG3    H

ref_spec: eng, ref_peak: 728, id: 727, d: 2.23, u: 2.57, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45  HB3 -   LYS45    H    d: 2.54 +/- 0.05, weight: 0.5

      LYS45  HB3 -   LYS45    H    d: 2.52 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 729, id: 728, d: 2.37, u: 3.78, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3  HB2 -    ARG3   HA    d: 2.61 +/- 0.09, weight: 0.5
       ARG3  HB3 -    ARG3   HA

       ARG3  HB2 -    ARG3   HA    d: 2.61 +/- 0.09, weight: 0.5
       ARG3  HB3 -    ARG3   HA

ref_spec: eng, ref_peak: 730, id: 729, d: 4.21, u: 4.82, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3  HB2 -    PRO4  HD3    d: 4.78 +/- 0.25, weight: 0.5
       ARG3  HB3 -    PRO4  HD3

       ARG3  HB2 -    PRO4  HD3    d: 4.83 +/- 0.33, weight: 0.5
       ARG3  HB3 -    PRO4  HD3

ref_spec: eng, ref_peak: 731, id: 730, d: 2.62, u: 4.23, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3  HB2 -    ARG3  HD2    d: 2.84 +/- 0.17, weight: 0.5
       ARG3  HB2 -    ARG3  HD3
       ARG3  HB3 -    ARG3  HD2
       ARG3  HB3 -    ARG3  HD3

       ARG3  HB2 -    ARG3  HD2    d: 2.84 +/- 0.17, weight: 0.5
       ARG3  HB2 -    ARG3  HD3
       ARG3  HB3 -    ARG3  HD2
       ARG3  HB3 -    ARG3  HD3

ref_spec: eng, ref_peak: 732, id: 731, d: 3.70, u: 5.16, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48   HG -   TYR47  HD1    d: 4.72 +/- 0.14, weight: 0.5
      LEU48   HG -   TYR47  HD2

      LEU48   HG -   TYR47  HD1    d: 4.72 +/- 0.14, weight: 0.5
      LEU48   HG -   TYR47  HD2

ref_spec: eng, ref_peak: 733, id: 732, d: 2.27, u: 3.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48   HG -   LEU48 HD11    d: 2.55 +/- 0.00, weight: 0.5
      LEU48   HG -   LEU48 HD12
      LEU48   HG -   LEU48 HD13

      LEU48   HG -   LEU48 HD11    d: 2.55 +/- 0.00, weight: 0.5
      LEU48   HG -   LEU48 HD12
      LEU48   HG -   LEU48 HD13

ref_spec: eng, ref_peak: 734, id: 733, d: 3.16, u: 3.35, u_viol: 0.33, %_viol: 35.0, viol: no, reliable: no, a_type: A
      LYS30  HD2 -   GLU27   HA    d: 4.07 +/- 1.03, weight: 0.2
      LYS30  HD3 -   GLU27   HA

      LYS30  HD2 -   LYS30   HA    d: 3.64 +/- 0.99, weight: 0.3
      LYS30  HD3 -   LYS30   HA

      LYS30  HD2 -   LYS30   HA    d: 3.64 +/- 0.99, weight: 0.3
      LYS30  HD3 -   LYS30   HA

ref_spec: eng, ref_peak: 735, id: 734, d: 1.55, u: 2.40, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41  HB2 -   ARG41  HB3    d: 1.75 +/- 0.00, weight: 0.5

      ARG41  HB2 -   ARG41  HB3    d: 1.75 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 736, id: 735, d: 2.32, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HD2 -   LYS30  HG2    d: 2.62 +/- 0.03, weight: 0.5
      LYS30  HD2 -   LYS30  HG3
      LYS30  HD3 -   LYS30  HG2
      LYS30  HD3 -   LYS30  HG3

      LYS30  HD2 -   LYS30  HG2    d: 2.62 +/- 0.03, weight: 0.5
      LYS30  HD2 -   LYS30  HG3
      LYS30  HD3 -   LYS30  HG2
      LYS30  HD3 -   LYS30  HG3

ref_spec: eng, ref_peak: 737, id: 736, d: 2.32, u: 4.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48  HB3 -   LEU48   HA    d: 2.75 +/- 0.31, weight: 0.5

      LEU48  HB3 -   LEU48   HA    d: 2.67 +/- 0.31, weight: 0.5

ref_spec: eng, ref_peak: 738, id: 737, d: 2.02, u: 5.74, u_viol: 0.00, %_viol: 55.0, viol: yes, reliable: no, a_type: A
      ILE44 HG13 -   ILE44    H    d: 2.46 +/- 0.16, weight: 0.5

      ILE44 HG13 -   ILE44    H    d: 2.43 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 739, id: 738, d: 2.43, u: 3.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HG13 -   TRP21  HH2    d: 2.90 +/- 0.26, weight: 0.5

      ILE44 HG13 -   TRP21  HH2    d: 2.92 +/- 0.30, weight: 0.5

ref_spec: eng, ref_peak: 741, id: 740, d: 3.36, u: 5.53, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HG13 -   ILE44   HA    d: 3.88 +/- 0.05, weight: 0.5

      ILE44 HG13 -   ILE44   HA    d: 3.89 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 742, id: 741, d: 3.70, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HG13 -   ALA43  HB1    d: 5.36 +/- 0.20, weight: 0.1
      ILE44 HG13 -   ALA43  HB2
      ILE44 HG13 -   ALA43  HB3

      ILE44 HG13 -   ILE17 HG21    d: 4.91 +/- 0.23, weight: 0.2
      ILE44 HG13 -   ILE17 HG22
      ILE44 HG13 -   ILE17 HG23

      ILE44 HG13 -   ALA43  HB1    d: 4.70 +/- 0.15, weight: 0.2
      ILE44 HG13 -   ALA43  HB2
      ILE44 HG13 -   ALA43  HB3

      ILE44 HG13 -   ILE17 HG21    d: 4.90 +/- 0.24, weight: 0.2
      ILE44 HG13 -   ILE17 HG22
      ILE44 HG13 -   ILE17 HG23

      ILE44 HG13 -   ALA43  HB1    d: 4.71 +/- 0.16, weight: 0.2
      ILE44 HG13 -   ALA43  HB2
      ILE44 HG13 -   ALA43  HB3

ref_spec: eng, ref_peak: 743, id: 742, d: 3.72, u: 4.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53  HD2 -   LYS53   HA    d: 3.40 +/- 0.93, weight: 0.5
      LYS53  HD3 -   LYS53   HA

      LYS53  HD2 -   LYS53   HA    d: 3.40 +/- 0.93, weight: 0.5
      LYS53  HD3 -   LYS53   HA

ref_spec: eng, ref_peak: 744, id: 743, d: 2.31, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS53  HD2 -   LYS53  HG2    d: 2.61 +/- 0.04, weight: 0.5
      LYS53  HD2 -   LYS53  HG3
      LYS53  HD3 -   LYS53  HG2
      LYS53  HD3 -   LYS53  HG3

      LYS53  HD2 -   LYS53  HG2    d: 2.61 +/- 0.04, weight: 0.5
      LYS53  HD2 -   LYS53  HG3
      LYS53  HD3 -   LYS53  HG2
      LYS53  HD3 -   LYS53  HG3

ref_spec: eng, ref_peak: 745, id: 744, d: 3.11, u: 4.16, u_viol: 0.18, %_viol: 5.0, viol: no, reliable: no, a_type: A
       ARG3  HG2 -    ARG3    H    d: 3.35 +/- 0.66, weight: 0.5
       ARG3  HG3 -    ARG3    H

       ARG3  HG2 -    ARG3    H    d: 3.35 +/- 0.66, weight: 0.5
       ARG3  HG3 -    ARG3    H

ref_spec: eng, ref_peak: 746, id: 745, d: 2.55, u: 4.44, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ARG3  HG2 -    ARG3   HA    d: 3.04 +/- 0.43, weight: 0.5
       ARG3  HG3 -    ARG3   HA

       ARG3  HG2 -    ARG3   HA    d: 3.04 +/- 0.43, weight: 0.5
       ARG3  HG3 -    ARG3   HA

ref_spec: eng, ref_peak: 747, id: 746, d: 2.16, u: 3.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13  HB3 -   LEU13   HA    d: 2.49 +/- 0.22, weight: 0.5

      LEU13  HB3 -   LEU13   HA    d: 2.50 +/- 0.26, weight: 0.5

ref_spec: eng, ref_peak: 748, id: 747, d: 2.58, u: 4.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34   HG -   LEU34   HA    d: 3.22 +/- 0.02, weight: 0.5

      LEU34   HG -   LEU34   HA    d: 3.22 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 749, id: 748, d: 4.23, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34   HG -   LYS32   HA    d: 3.91 +/- 0.02, weight: 0.5

      LEU34   HG -   LYS32   HA    d: 3.91 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 750, id: 749, d: 2.32, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45  HD2 -   LYS45  HG2    d: 2.61 +/- 0.04, weight: 0.5
      LYS45  HD2 -   LYS45  HG3
      LYS45  HD3 -   LYS45  HG2
      LYS45  HD3 -   LYS45  HG3

      LYS45  HD2 -   LYS45  HG2    d: 2.61 +/- 0.04, weight: 0.5
      LYS45  HD2 -   LYS45  HG3
      LYS45  HD3 -   LYS45  HG2
      LYS45  HD3 -   LYS45  HG3

ref_spec: eng, ref_peak: 751, id: 750, d: 2.71, u: 2.88, u_viol: 0.26, %_viol: 60.0, viol: no, reliable: no, a_type: A
      LYS30  HG2 -   GLU27   HA    d: 2.99 +/- 0.85, weight: 0.4
      LYS30  HG3 -   GLU27   HA

       LYS6  HD2 -    LYS6   HA    d: 3.60 +/- 0.99, weight: 0.1
       LYS6  HD3 -    LYS6   HA

      LYS30  HG2 -   GLU27   HA    d: 2.99 +/- 0.85, weight: 0.4
      LYS30  HG3 -   GLU27   HA

ref_spec: eng, ref_peak: 752, id: 751, d: 2.08, u: 2.69, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13   HG -   LEU13    H    d: 2.10 +/- 0.24, weight: 0.5

      LEU13   HG -   LEU13    H    d: 2.10 +/- 0.24, weight: 0.5

ref_spec: eng, ref_peak: 753, id: 752, d: 4.14, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6  HD2 -    LYS6    H    d: 3.45 +/- 0.43, weight: 0.5
       LYS6  HD3 -    LYS6    H

       LYS6  HD2 -    LYS6    H    d: 3.45 +/- 0.44, weight: 0.5
       LYS6  HD3 -    LYS6    H

ref_spec: eng, ref_peak: 754, id: 753, d: 2.81, u: 3.34, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11   HB -   HIS22  HD2    d: 3.36 +/- 0.56, weight: 0.5

      ILE11   HB -   HIS22  HD2    d: 3.37 +/- 0.56, weight: 0.5

ref_spec: eng, ref_peak: 755, id: 754, d: 3.28, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13   HG -   LEU13   HA    d: 3.53 +/- 0.10, weight: 0.5

      LEU13   HG -   LEU13   HA    d: 3.53 +/- 0.10, weight: 0.5

ref_spec: eng, ref_peak: 756, id: 755, d: 2.68, u: 2.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11   HB -   ILE11   HA    d: 3.01 +/- 0.01, weight: 0.5

      ILE11   HB -   ILE11   HA    d: 3.01 +/- 0.01, weight: 0.5

ref_spec: eng, ref_peak: 757, id: 756, d: 3.14, u: 2.69, u_viol: 0.75, %_viol: 70.0, viol: no, reliable: no, a_type: A
      ILE11   HB -   ILE11 HD11    d: 3.25 +/- 0.54, weight: 0.5
      ILE11   HB -   ILE11 HD12
      ILE11   HB -   ILE11 HD13

      ILE11   HB -   ILE11 HD11    d: 3.25 +/- 0.54, weight: 0.5
      ILE11   HB -   ILE11 HD12
      ILE11   HB -   ILE11 HD13

ref_spec: eng, ref_peak: 758, id: 757, d: 2.29, u: 2.87, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6  HD2 -    LYS6  HE2    d: 2.57 +/- 0.05, weight: 0.5
       LYS6  HD2 -    LYS6  HE3
       LYS6  HD3 -    LYS6  HE2
       LYS6  HD3 -    LYS6  HE3

       LYS6  HD2 -    LYS6  HE2    d: 2.57 +/- 0.05, weight: 0.5
       LYS6  HD2 -    LYS6  HE3
       LYS6  HD3 -    LYS6  HE2
       LYS6  HD3 -    LYS6  HE3

ref_spec: eng, ref_peak: 759, id: 758, d: 2.31, u: 2.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG13 -   ILE17    H    d: 3.39 +/- 0.57, weight: 0.6

      ILE17 HG13 -   ILE17    H    d: 3.52 +/- 0.55, weight: 0.4

ref_spec: eng, ref_peak: 760, id: 759, d: 3.32, u: 5.79, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG13 -   ILE17   HA    d: 3.66 +/- 0.06, weight: 0.5

      ILE17 HG13 -   ILE17   HA    d: 3.65 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 761, id: 760, d: 4.78, u: 6.83, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG13 -   GLN19   HA    d: 5.01 +/- 0.18, weight: 0.4

      ILE17 HG13 -   HIS22  HB3    d: 6.42 +/- 0.66, weight: 0.1

      ILE17 HG13 -   GLN19   HA    d: 4.98 +/- 0.20, weight: 0.4

ref_spec: eng, ref_peak: 762, id: 761, d: 1.57, u: 2.19, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG13 -   ILE17 HG12    d: 1.76 +/- 0.00, weight: 0.5

      ILE17 HG13 -   ILE17 HG12    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 763, id: 762, d: 5.67, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45  HB2 -   TYR47  HB2    d: 6.82 +/- 0.08, weight: 0.4

      LYS45  HB2 -   TYR47  HB2    d: 6.98 +/- 0.22, weight: 0.4

ref_spec: eng, ref_peak: 764, id: 763, d: 2.94, u: 3.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HG -   LEU36    H    d: 3.54 +/- 0.15, weight: 0.5

      LEU36   HG -   LEU36    H    d: 3.54 +/- 0.15, weight: 0.5

ref_spec: eng, ref_peak: 765, id: 764, d: 1.90, u: 2.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HG -   SER37    H    d: 2.22 +/- 0.14, weight: 0.5

      LEU36   HG -   SER37    H    d: 2.22 +/- 0.14, weight: 0.5

ref_spec: eng, ref_peak: 766, id: 765, d: 3.97, u: 4.55, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13  HB2 -   GLY14  HA3    d: 5.06 +/- 0.59, weight: 0.3

      LEU13  HB2 -   GLY14  HA3    d: 5.83 +/- 0.57, weight: 0.1

      LEU13  HB2 -   GLY14  HA3    d: 4.95 +/- 0.60, weight: 0.4

ref_spec: eng, ref_peak: 767, id: 766, d: 4.15, u: 4.20, u_viol: 0.13, %_viol: 25.0, viol: no, reliable: no, a_type: A
       LEU8  HB2 -    ARG3   HA    d: 6.41 +/- 1.67, weight: 0.1
       LEU8  HB3 -    ARG3   HA

       LEU8   HG -    ARG3   HA    d: 5.74 +/- 1.66, weight: 0.2

      LEU36   HG -   THR35   HA    d: 5.83 +/- 0.17, weight: 0.2

       LEU8  HB2 -    ARG3   HA    d: 6.41 +/- 1.67, weight: 0.1
       LEU8  HB3 -    ARG3   HA

       LEU8   HG -    ARG3   HA    d: 5.74 +/- 1.66, weight: 0.2

      LEU36   HG -   THR35   HA    d: 5.83 +/- 0.18, weight: 0.2

ref_spec: eng, ref_peak: 768, id: 767, d: 3.30, u: 3.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HG -   LEU36   HA    d: 3.66 +/- 0.04, weight: 0.5

      LEU36   HG -   LEU36   HA    d: 3.66 +/- 0.03, weight: 0.5

ref_spec: eng, ref_peak: 769, id: 768, d: 5.33, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36   HG -   CYS40  HB2    d: 5.69 +/- 0.30, weight: 0.4

      LEU36   HG -   CYS40  HB2    d: 5.63 +/- 0.39, weight: 0.5

ref_spec: eng, ref_peak: 770, id: 769, d: 1.54, u: 1.94, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28 HG13 -   ILE28 HG12    d: 1.76 +/- 0.00, weight: 0.5

      ILE28 HG13 -   ILE28 HG12    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 771, id: 770, d: 2.99, u: 2.93, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13  HB2 -   LEU13    H    d: 3.51 +/- 0.26, weight: 0.4

      LYS12  HB3 -   LEU13    H    d: 3.99 +/- 0.45, weight: 0.2

      LEU13  HB2 -   LEU13    H    d: 3.58 +/- 0.13, weight: 0.3

ref_spec: eng, ref_peak: 772, id: 771, d: 2.46, u: 2.97, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13  HB2 -   GLY14    H    d: 3.13 +/- 0.47, weight: 0.5

      LEU13  HB2 -   GLY14    H    d: 3.04 +/- 0.51, weight: 0.5

ref_spec: eng, ref_peak: 773, id: 772, d: 2.16, u: 3.26, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13  HB2 -   LEU13   HA    d: 2.48 +/- 0.23, weight: 0.5

      LEU13  HB2 -   LEU13   HA    d: 2.47 +/- 0.18, weight: 0.5

ref_spec: eng, ref_peak: 774, id: 773, d: 2.15, u: 2.84, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HB2 -   LYS32   HA    d: 2.74 +/- 0.23, weight: 0.2

      LYS32  HG2 -   LYS32   HA    d: 2.70 +/- 0.20, weight: 0.3
      LYS32  HG3 -   LYS32   HA

      LYS32  HB2 -   LYS32   HA    d: 2.79 +/- 0.23, weight: 0.2

      LYS32  HG2 -   LYS32   HA    d: 2.70 +/- 0.20, weight: 0.3
      LYS32  HG3 -   LYS32   HA

ref_spec: eng, ref_peak: 775, id: 774, d: 4.04, u: 5.21, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS32  HB2 -   GLU31  HB3    d: 5.45 +/- 0.91, weight: 0.2

      LYS32  HG2 -   GLU31  HB3    d: 5.03 +/- 0.63, weight: 0.3
      LYS32  HG3 -   GLU31  HB3

      LYS32  HB2 -   GLU31  HB3    d: 5.36 +/- 0.87, weight: 0.2

      LYS32  HG2 -   GLU31  HB3    d: 5.13 +/- 0.79, weight: 0.3
      LYS32  HG3 -   GLU31  HB3

ref_spec: eng, ref_peak: 776, id: 775, d: 1.57, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HB2 -   LYS30  HB3    d: 1.76 +/- 0.00, weight: 0.5

      LYS30  HB2 -   LYS30  HB3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 777, id: 776, d: 2.41, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS30  HB2 -   LYS30  HD2    d: 2.60 +/- 0.04, weight: 0.5
      LYS30  HB2 -   LYS30  HD3

      LYS30  HB2 -   LYS30  HD2    d: 2.60 +/- 0.04, weight: 0.5
      LYS30  HB2 -   LYS30  HD3

ref_spec: eng, ref_peak: 778, id: 777, d: 2.36, u: 3.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12  HD2 -   LEU13    H    d: 2.98 +/- 0.52, weight: 0.5
      LYS12  HD3 -   LEU13    H

      LYS12  HD2 -   LEU13    H    d: 2.98 +/- 0.52, weight: 0.5
      LYS12  HD3 -   LEU13    H

ref_spec: eng, ref_peak: 779, id: 778, d: 4.90, u: 6.00, u_viol: 0.15, %_viol: 10.0, viol: no, reliable: no, a_type: A
      LYS12  HD2 -   TYR16    H    d: 4.73 +/- 0.23, weight: 0.5
      LYS12  HD3 -   TYR16    H

      LYS12  HD2 -   TYR16    H    d: 4.72 +/- 0.23, weight: 0.5
      LYS12  HD3 -   TYR16    H

ref_spec: eng, ref_peak: 780, id: 779, d: 2.49, u: 2.93, u_viol: 0.09, %_viol: 5.0, viol: no, reliable: no, a_type: A
      LYS55  HG2 -   LYS55    H    d: 2.88 +/- 0.38, weight: 0.5
      LYS55  HG3 -   LYS55    H

      LYS55  HG2 -   LYS55    H    d: 2.88 +/- 0.38, weight: 0.5
      LYS55  HG3 -   LYS55    H

ref_spec: eng, ref_peak: 781, id: 780, d: 2.77, u: 2.96, u_viol: 0.34, %_viol: 20.0, viol: no, reliable: no, a_type: A
       LEU7  HB2 -    LEU7    H    d: 3.24 +/- 0.44, weight: 0.5
       LEU7  HB3 -    LEU7    H

       LEU7  HB2 -    LEU7    H    d: 3.24 +/- 0.44, weight: 0.5
       LEU7  HB3 -    LEU7    H

ref_spec: eng, ref_peak: 782, id: 781, d: 4.04, u: 8.04, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12  HD2 -   TYR16  HD1    d: 4.89 +/- 1.06, weight: 0.5
      LYS12  HD2 -   TYR16  HD2
      LYS12  HD3 -   TYR16  HD1
      LYS12  HD3 -   TYR16  HD2

      LYS12  HD2 -   TYR16  HD1    d: 4.89 +/- 1.06, weight: 0.5
      LYS12  HD2 -   TYR16  HD2
      LYS12  HD3 -   TYR16  HD1
      LYS12  HD3 -   TYR16  HD2

ref_spec: eng, ref_peak: 783, id: 782, d: 3.34, u: 6.77, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12  HD2 -   TYR16  HE1    d: 5.13 +/- 1.73, weight: 0.5
      LYS12  HD2 -   TYR16  HE2
      LYS12  HD3 -   TYR16  HE1
      LYS12  HD3 -   TYR16  HE2

      LYS12  HD2 -   TYR16  HE1    d: 5.13 +/- 1.73, weight: 0.5
      LYS12  HD2 -   TYR16  HE2
      LYS12  HD3 -   TYR16  HE1
      LYS12  HD3 -   TYR16  HE2

ref_spec: eng, ref_peak: 784, id: 783, d: 2.37, u: 2.36, u_viol: 0.03, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU7  HB2 -    LEU7   HA    d: 2.66 +/- 0.06, weight: 0.5
       LEU7  HB3 -    LEU7   HA

       LEU7  HB2 -    LEU7   HA    d: 2.66 +/- 0.06, weight: 0.5
       LEU7  HB3 -    LEU7   HA

ref_spec: eng, ref_peak: 785, id: 784, d: 2.60, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LEU7  HB2 -    LEU7 HD21    d: 3.01 +/- 0.12, weight: 0.5
       LEU7  HB2 -    LEU7 HD22
       LEU7  HB2 -    LEU7 HD23
       LEU7  HB3 -    LEU7 HD21
       LEU7  HB3 -    LEU7 HD22
       LEU7  HB3 -    LEU7 HD23

       LEU7  HB2 -    LEU7 HD21    d: 3.01 +/- 0.12, weight: 0.5
       LEU7  HB2 -    LEU7 HD22
       LEU7  HB2 -    LEU7 HD23
       LEU7  HB3 -    LEU7 HD21
       LEU7  HB3 -    LEU7 HD22
       LEU7  HB3 -    LEU7 HD23

ref_spec: eng, ref_peak: 786, id: 785, d: 2.69, u: 2.68, u_viol: 0.08, %_viol: 5.0, viol: no, reliable: no, a_type: A
       LEU7  HB2 -    LEU7 HD11    d: 2.93 +/- 0.13, weight: 0.5
       LEU7  HB2 -    LEU7 HD12
       LEU7  HB2 -    LEU7 HD13
       LEU7  HB3 -    LEU7 HD11
       LEU7  HB3 -    LEU7 HD12
       LEU7  HB3 -    LEU7 HD13

       LEU7  HB2 -    LEU7 HD11    d: 2.93 +/- 0.13, weight: 0.5
       LEU7  HB2 -    LEU7 HD12
       LEU7  HB2 -    LEU7 HD13
       LEU7  HB3 -    LEU7 HD11
       LEU7  HB3 -    LEU7 HD12
       LEU7  HB3 -    LEU7 HD13

ref_spec: eng, ref_peak: 787, id: 786, d: 3.20, u: 3.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB2 -   LEU42    H    d: 3.00 +/- 0.50, weight: 0.6

      LEU42  HB2 -   LEU42    H    d: 3.17 +/- 0.48, weight: 0.4

ref_spec: eng, ref_peak: 788, id: 787, d: 4.33, u: 9.05, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB2 -   TYR47  HE1    d: 4.59 +/- 0.22, weight: 0.5
      LEU42  HB2 -   TYR47  HE2

      LEU42  HB2 -   TYR47  HE1    d: 4.56 +/- 0.16, weight: 0.5
      LEU42  HB2 -   TYR47  HE2

ref_spec: eng, ref_peak: 789, id: 788, d: 2.26, u: 3.85, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB2 -   LEU42   HA    d: 2.77 +/- 0.30, weight: 0.4

      LEU42  HB2 -   LEU42   HA    d: 2.65 +/- 0.31, weight: 0.6

ref_spec: eng, ref_peak: 790, id: 789, d: 2.33, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS55  HG2 -   LYS55  HB3    d: 2.61 +/- 0.06, weight: 0.5
      LYS55  HG3 -   LYS55  HB3

      LYS55  HG2 -   LYS55  HB3    d: 2.60 +/- 0.07, weight: 0.5
      LYS55  HG3 -   LYS55  HB3

ref_spec: eng, ref_peak: 791, id: 790, d: 3.79, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29  HB1 -   LEU36    H    d: 4.37 +/- 0.16, weight: 0.5
      ALA29  HB2 -   LEU36    H
      ALA29  HB3 -   LEU36    H

      ALA29  HB1 -   LEU36    H    d: 4.37 +/- 0.16, weight: 0.5
      ALA29  HB2 -   LEU36    H
      ALA29  HB3 -   LEU36    H

ref_spec: eng, ref_peak: 792, id: 791, d: 4.03, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29  HB1 -   LEU34    H    d: 4.12 +/- 0.09, weight: 0.5
      ALA29  HB2 -   LEU34    H
      ALA29  HB3 -   LEU34    H

      ALA29  HB1 -   LEU34    H    d: 4.13 +/- 0.09, weight: 0.5
      ALA29  HB2 -   LEU34    H
      ALA29  HB3 -   LEU34    H

ref_spec: eng, ref_peak: 793, id: 792, d: 2.70, u: 2.80, u_viol: 0.12, %_viol: 25.0, viol: no, reliable: no, a_type: A
      ALA29  HB1 -   LYS30    H    d: 3.66 +/- 0.04, weight: 0.3
      ALA29  HB2 -   LYS30    H
      ALA29  HB3 -   LYS30    H

      LYS56  HG2 -   LYS56    H    d: 3.82 +/- 0.77, weight: 0.2
      LYS56  HG3 -   LYS56    H

      ALA29  HB1 -   LYS30    H    d: 3.66 +/- 0.04, weight: 0.3
      ALA29  HB2 -   LYS30    H
      ALA29  HB3 -   LYS30    H

      LYS56  HG2 -   LYS56    H    d: 3.82 +/- 0.76, weight: 0.2
      LYS56  HG3 -   LYS56    H

ref_spec: eng, ref_peak: 794, id: 793, d: 2.88, u: 4.86, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29  HB1 -   THR35   HA    d: 3.40 +/- 0.09, weight: 0.5
      ALA29  HB2 -   THR35   HA
      ALA29  HB3 -   THR35   HA

      ALA29  HB1 -   THR35   HA    d: 3.40 +/- 0.09, weight: 0.5
      ALA29  HB2 -   THR35   HA
      ALA29  HB3 -   THR35   HA

ref_spec: eng, ref_peak: 795, id: 794, d: 2.04, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29  HB1 -   MET26   HA    d: 2.22 +/- 0.07, weight: 0.5
      ALA29  HB2 -   MET26   HA
      ALA29  HB3 -   MET26   HA

      ALA29  HB1 -   MET26   HA    d: 2.22 +/- 0.07, weight: 0.5
      ALA29  HB2 -   MET26   HA
      ALA29  HB3 -   MET26   HA

ref_spec: eng, ref_peak: 796, id: 795, d: 5.08, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29  HB1 -   LYS30  HB3    d: 5.95 +/- 0.06, weight: 0.5
      ALA29  HB2 -   LYS30  HB3
      ALA29  HB3 -   LYS30  HB3

      ALA29  HB1 -   LYS30  HB3    d: 5.95 +/- 0.06, weight: 0.5
      ALA29  HB2 -   LYS30  HB3
      ALA29  HB3 -   LYS30  HB3

ref_spec: eng, ref_peak: 797, id: 796, d: 2.75, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34  HB2 -   LEU34 HD21    d: 3.10 +/- 0.45, weight: 0.7
      LEU34  HB2 -   LEU34 HD22
      LEU34  HB2 -   LEU34 HD23

      LEU34  HB2 -   LEU34 HD21    d: 3.58 +/- 0.45, weight: 0.3
      LEU34  HB2 -   LEU34 HD22
      LEU34  HB2 -   LEU34 HD23

ref_spec: eng, ref_peak: 798, id: 797, d: 2.58, u: 2.88, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42  HB2 -   LEU42 HD11    d: 2.87 +/- 0.18, weight: 0.5
      LEU42  HB2 -   LEU42 HD12
      LEU42  HB2 -   LEU42 HD13

      LEU42  HB2 -   LEU42 HD11    d: 2.88 +/- 0.27, weight: 0.5
      LEU42  HB2 -   LEU42 HD12
      LEU42  HB2 -   LEU42 HD13

ref_spec: eng, ref_peak: 799, id: 798, d: 3.17, u: 4.25, u_viol: 0.06, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6  HG3 -    LYS6    H    d: 3.26 +/- 0.78, weight: 0.5

       LYS6  HG3 -    LYS6    H    d: 3.36 +/- 0.76, weight: 0.5

ref_spec: eng, ref_peak: 800, id: 799, d: 2.72, u: 3.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG13 -   ILE11    H    d: 3.57 +/- 0.83, weight: 0.5

      ILE11 HG13 -   ILE11    H    d: 3.51 +/- 0.76, weight: 0.5

ref_spec: eng, ref_peak: 801, id: 800, d: 2.86, u: 3.22, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG13 -   ILE11   HA    d: 3.12 +/- 0.50, weight: 0.5

      ILE11 HG13 -   ILE11   HA    d: 3.10 +/- 0.53, weight: 0.5

ref_spec: eng, ref_peak: 802, id: 801, d: 2.66, u: 4.76, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       LYS6  HG3 -    LYS6  HE2    d: 3.10 +/- 0.43, weight: 0.4
       LYS6  HG3 -    LYS6  HE3

       LYS6  HG3 -    LYS6  HE2    d: 3.00 +/- 0.41, weight: 0.5
       LYS6  HG3 -    LYS6  HE3

ref_spec: eng, ref_peak: 803, id: 802, d: 2.03, u: 2.10, u_viol: 0.07, %_viol: 5.0, viol: no, reliable: no, a_type: A
       LYS6  HG3 -    LYS6  HD2    d: 2.60 +/- 0.09, weight: 0.3
       LYS6  HG3 -    LYS6  HD3

      ILE11 HG13 -   ILE11   HB    d: 2.67 +/- 0.22, weight: 0.2

       LYS6  HG3 -    LYS6  HD2    d: 2.61 +/- 0.07, weight: 0.3
       LYS6  HG3 -    LYS6  HD3

      ILE11 HG13 -   ILE11   HB    d: 2.66 +/- 0.24, weight: 0.2

ref_spec: eng, ref_peak: 804, id: 803, d: 2.51, u: 2.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48  HB2 -   ASP49    H    d: 3.44 +/- 0.58, weight: 0.4

      LEU48  HB2 -   ASP49    H    d: 3.31 +/- 0.58, weight: 0.6

ref_spec: eng, ref_peak: 805, id: 804, d: 2.54, u: 2.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48  HB2 -   LEU48    H    d: 3.04 +/- 0.49, weight: 0.5

      LEU48  HB2 -   LEU48    H    d: 3.15 +/- 0.49, weight: 0.4

ref_spec: eng, ref_peak: 806, id: 805, d: 2.32, u: 3.61, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48  HB2 -   LEU48   HA    d: 2.67 +/- 0.31, weight: 0.5

      LEU48  HB2 -   LEU48   HA    d: 2.75 +/- 0.31, weight: 0.5

ref_spec: eng, ref_peak: 807, id: 806, d: 4.07, u: 4.15, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48  HB2 -   ASP49  HB3    d: 4.95 +/- 0.69, weight: 0.5

      LEU48  HB2 -   ASP49  HB3    d: 5.14 +/- 0.70, weight: 0.4

ref_spec: eng, ref_peak: 808, id: 807, d: 2.52, u: 2.98, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48  HB2 -   LEU48 HD11    d: 2.82 +/- 0.03, weight: 0.5
      LEU48  HB2 -   LEU48 HD12
      LEU48  HB2 -   LEU48 HD13

      LEU48  HB2 -   LEU48 HD11    d: 2.83 +/- 0.03, weight: 0.5
      LEU48  HB2 -   LEU48 HD12
      LEU48  HB2 -   LEU48 HD13

ref_spec: eng, ref_peak: 809, id: 808, d: 4.72, u: 5.27, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48  HB2 -   TYR47    H    d: 5.52 +/- 0.64, weight: 0.5

      LEU48  HB2 -   TYR47    H    d: 5.66 +/- 0.64, weight: 0.4

ref_spec: eng, ref_peak: 810, id: 809, d: 3.69, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS45  HG2 -   GLU46   HA    d: 4.27 +/- 0.08, weight: 0.5
      LYS45  HG3 -   GLU46   HA

      LYS45  HG2 -   GLU46   HA    d: 4.27 +/- 0.08, weight: 0.5
      LYS45  HG3 -   GLU46   HA

ref_spec: eng, ref_peak: 811, id: 810, d: 2.60, u: 2.63, u_viol: 0.31, %_viol: 30.0, viol: no, reliable: no, a_type: A
      LYS45  HG2 -   LYS45   HA    d: 2.90 +/- 0.24, weight: 0.5
      LYS45  HG3 -   LYS45   HA

      LYS45  HG2 -   LYS45   HA    d: 2.90 +/- 0.24, weight: 0.5
      LYS45  HG3 -   LYS45   HA

ref_spec: eng, ref_peak: 812, id: 811, d: 3.56, u: 3.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG12 -   ILE11    H    d: 4.20 +/- 0.50, weight: 0.4

      ILE17 HG12 -   ILE11    H    d: 4.10 +/- 0.49, weight: 0.5

ref_spec: eng, ref_peak: 813, id: 812, d: 2.57, u: 3.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG12 -   ILE17    H    d: 3.20 +/- 0.77, weight: 0.4

      ILE17 HG12 -   ILE17    H    d: 3.07 +/- 0.73, weight: 0.6

ref_spec: eng, ref_peak: 814, id: 813, d: 4.09, u: 5.52, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG12 -   TYR16   HA    d: 5.22 +/- 0.85, weight: 0.5

      ILE17 HG12 -   TYR16   HA    d: 5.09 +/- 0.80, weight: 0.5

ref_spec: eng, ref_peak: 815, id: 814, d: 3.31, u: 4.41, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG12 -   ILE17   HA    d: 3.64 +/- 0.04, weight: 0.5

      ILE17 HG12 -   ILE17   HA    d: 3.65 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 816, id: 815, d: 2.25, u: 3.48, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG12 -   ILE17 HD11    d: 2.52 +/- 0.01, weight: 0.5
      ILE17 HG12 -   ILE17 HD12
      ILE17 HG12 -   ILE17 HD13

      ILE17 HG12 -   ILE17 HD11    d: 2.52 +/- 0.01, weight: 0.5
      ILE17 HG12 -   ILE17 HD12
      ILE17 HG12 -   ILE17 HD13

ref_spec: eng, ref_peak: 818, id: 817, d: 2.48, u: 5.71, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HG12 -   ARG41   HA    d: 2.76 +/- 0.39, weight: 0.5

      ILE44 HG12 -   ARG41   HA    d: 2.74 +/- 0.39, weight: 0.5

ref_spec: eng, ref_peak: 819, id: 818, d: 2.17, u: 5.43, u_viol: 0.00, %_viol: 25.0, viol: no, reliable: no, a_type: A
      ILE44 HG12 -   CYS40   HA    d: 2.51 +/- 0.30, weight: 0.5

      ILE44 HG12 -   CYS40   HA    d: 2.52 +/- 0.33, weight: 0.5

ref_spec: eng, ref_peak: 820, id: 819, d: 2.78, u: 3.65, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HG12 -   ILE44   HA    d: 3.16 +/- 0.20, weight: 0.5

      ILE44 HG12 -   ILE44   HA    d: 3.15 +/- 0.16, weight: 0.5

ref_spec: eng, ref_peak: 821, id: 820, d: 1.57, u: 2.50, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HG12 -   ILE44 HG13    d: 1.77 +/- 0.00, weight: 0.5

      ILE44 HG12 -   ILE44 HG13    d: 1.77 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 822, id: 821, d: 2.28, u: 5.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HG12 -   ILE44 HD11    d: 2.55 +/- 0.00, weight: 0.5
      ILE44 HG12 -   ILE44 HD12
      ILE44 HG12 -   ILE44 HD13

      ILE44 HG12 -   ILE44 HD11    d: 2.55 +/- 0.00, weight: 0.5
      ILE44 HG12 -   ILE44 HD12
      ILE44 HG12 -   ILE44 HD13

ref_spec: eng, ref_peak: 823, id: 822, d: 4.95, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG21 -   ILE11    H    d: 5.29 +/- 0.19, weight: 0.3
      ILE17 HG22 -   ILE11    H
      ILE17 HG23 -   ILE11    H

      ILE17 HG21 -   LEU13    H    d: 5.38 +/- 0.21, weight: 0.2
      ILE17 HG22 -   LEU13    H
      ILE17 HG23 -   LEU13    H

      ILE17 HG21 -   ILE11    H    d: 5.29 +/- 0.19, weight: 0.3
      ILE17 HG22 -   ILE11    H
      ILE17 HG23 -   ILE11    H

      ILE17 HG21 -   LEU13    H    d: 5.38 +/- 0.21, weight: 0.2
      ILE17 HG22 -   LEU13    H
      ILE17 HG23 -   LEU13    H

ref_spec: eng, ref_peak: 824, id: 823, d: 2.52, u: 3.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG21 -   ILE17   HA    d: 3.09 +/- 0.12, weight: 0.5
      ILE17 HG22 -   ILE17   HA
      ILE17 HG23 -   ILE17   HA

      ILE17 HG21 -   ILE17   HA    d: 3.09 +/- 0.12, weight: 0.5
      ILE17 HG22 -   ILE17   HA
      ILE17 HG23 -   ILE17   HA

ref_spec: eng, ref_peak: 825, id: 824, d: 2.25, u: 2.79, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG21 -   ILE17   HB    d: 2.55 +/- 0.00, weight: 0.5
      ILE17 HG22 -   ILE17   HB
      ILE17 HG23 -   ILE17   HB

      ILE17 HG21 -   ILE17   HB    d: 2.55 +/- 0.00, weight: 0.5
      ILE17 HG22 -   ILE17   HB
      ILE17 HG23 -   ILE17   HB

ref_spec: eng, ref_peak: 826, id: 825, d: 2.73, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG21 -   ILE17 HG13    d: 3.58 +/- 0.35, weight: 0.5
      ILE17 HG22 -   ILE17 HG13
      ILE17 HG23 -   ILE17 HG13

      ILE17 HG21 -   ILE17 HG13    d: 3.51 +/- 0.38, weight: 0.5
      ILE17 HG22 -   ILE17 HG13
      ILE17 HG23 -   ILE17 HG13

ref_spec: eng, ref_peak: 827, id: 826, d: 5.28, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG21 -   PRO18  HG3    d: 6.90 +/- 0.17, weight: 0.3
      ILE17 HG22 -   PRO18  HG3
      ILE17 HG23 -   PRO18  HG3

      ILE17 HG21 -   PRO18  HB2    d: 7.77 +/- 0.27, weight: 0.2
      ILE17 HG22 -   PRO18  HB2
      ILE17 HG23 -   PRO18  HB2

      ILE17 HG21 -   PRO18  HG3    d: 6.88 +/- 0.18, weight: 0.3
      ILE17 HG22 -   PRO18  HG3
      ILE17 HG23 -   PRO18  HG3

ref_spec: eng, ref_peak: 828, id: 827, d: 4.02, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   LYS45    H    d: 5.28 +/- 0.04, weight: 0.2
      ALA43  HB2 -   LYS45    H
      ALA43  HB3 -   LYS45    H

      ALA43  HB1 -   LYS45    H    d: 5.02 +/- 0.03, weight: 0.2
      ALA43  HB2 -   LYS45    H
      ALA43  HB3 -   LYS45    H

      ALA43  HB1 -   LYS45    H    d: 5.02 +/- 0.03, weight: 0.2
      ALA43  HB2 -   LYS45    H
      ALA43  HB3 -   LYS45    H

      ALA43  HB1 -   LYS45    H    d: 5.27 +/- 0.04, weight: 0.2
      ALA43  HB2 -   LYS45    H
      ALA43  HB3 -   LYS45    H

ref_spec: eng, ref_peak: 829, id: 828, d: 2.54, u: 2.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   ILE44    H    d: 3.14 +/- 0.05, weight: 0.3
      ALA43  HB2 -   ILE44    H
      ALA43  HB3 -   ILE44    H

      ALA43  HB1 -   ILE44    H    d: 3.18 +/- 0.03, weight: 0.2
      ALA43  HB2 -   ILE44    H
      ALA43  HB3 -   ILE44    H

      ALA43  HB1 -   ILE44    H    d: 3.18 +/- 0.03, weight: 0.2
      ALA43  HB2 -   ILE44    H
      ALA43  HB3 -   ILE44    H

      ALA43  HB1 -   ILE44    H    d: 3.14 +/- 0.05, weight: 0.3
      ALA43  HB2 -   ILE44    H
      ALA43  HB3 -   ILE44    H

ref_spec: eng, ref_peak: 830, id: 829, d: 4.36, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   LEU42    H    d: 5.08 +/- 0.07, weight: 0.4
      ALA43  HB2 -   LEU42    H
      ALA43  HB3 -   LEU42    H

      ALA43  HB1 -   LEU42    H    d: 5.08 +/- 0.07, weight: 0.4
      ALA43  HB2 -   LEU42    H
      ALA43  HB3 -   LEU42    H

ref_spec: eng, ref_peak: 831, id: 830, d: 3.98, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   TYR47  HD1    d: 4.15 +/- 0.29, weight: 0.5
      ALA43  HB1 -   TYR47  HD2
      ALA43  HB2 -   TYR47  HD1
      ALA43  HB2 -   TYR47  HD2
      ALA43  HB3 -   TYR47  HD1
      ALA43  HB3 -   TYR47  HD2

      ALA43  HB1 -   TYR47  HD1    d: 4.14 +/- 0.29, weight: 0.5
      ALA43  HB1 -   TYR47  HD2
      ALA43  HB2 -   TYR47  HD1
      ALA43  HB2 -   TYR47  HD2
      ALA43  HB3 -   TYR47  HD1
      ALA43  HB3 -   TYR47  HD2

ref_spec: eng, ref_peak: 832, id: 831, d: 4.58, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   TYR47   HA    d: 5.57 +/- 0.12, weight: 0.4
      ALA43  HB2 -   TYR47   HA
      ALA43  HB3 -   TYR47   HA

      ALA43  HB1 -   TYR47   HA    d: 5.57 +/- 0.12, weight: 0.4
      ALA43  HB2 -   TYR47   HA
      ALA43  HB3 -   TYR47   HA

ref_spec: eng, ref_peak: 833, id: 832, d: 4.36, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   ARG41   HA    d: 5.37 +/- 0.12, weight: 0.3
      ALA43  HB2 -   ARG41   HA
      ALA43  HB3 -   ARG41   HA

      ALA43  HB1 -   ARG41   HA    d: 5.57 +/- 0.21, weight: 0.2
      ALA43  HB2 -   ARG41   HA
      ALA43  HB3 -   ARG41   HA

      ALA43  HB1 -   ARG41   HA    d: 5.57 +/- 0.21, weight: 0.2
      ALA43  HB2 -   ARG41   HA
      ALA43  HB3 -   ARG41   HA

      ALA43  HB1 -   ARG41   HA    d: 5.37 +/- 0.12, weight: 0.3
      ALA43  HB2 -   ARG41   HA
      ALA43  HB3 -   ARG41   HA

ref_spec: eng, ref_peak: 834, id: 833, d: 2.59, u: 3.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   CYS40   HA    d: 2.79 +/- 0.06, weight: 0.5
      ALA43  HB2 -   CYS40   HA
      ALA43  HB3 -   CYS40   HA

      ALA43  HB1 -   CYS40   HA    d: 2.81 +/- 0.06, weight: 0.5
      ALA43  HB2 -   CYS40   HA
      ALA43  HB3 -   CYS40   HA

ref_spec: eng, ref_peak: 835, id: 834, d: 4.52, u: 5.17, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43  HB1 -   CYS40  HB2    d: 6.27 +/- 0.36, weight: 0.1
      ALA43  HB2 -   CYS40  HB2
      ALA43  HB3 -   CYS40  HB2

      ALA43  HB1 -   GLU46  HG2    d: 6.39 +/- 0.47, weight: 0.1
      ALA43  HB2 -   GLU46  HG2
      ALA43  HB3 -   GLU46  HG2

      ALA43  HB1 -   CYS40  HB2    d: 5.34 +/- 0.25, weight: 0.2
      ALA43  HB2 -   CYS40  HB2
      ALA43  HB3 -   CYS40  HB2

      ALA43  HB1 -   CYS40  HB2    d: 5.34 +/- 0.23, weight: 0.2
      ALA43  HB2 -   CYS40  HB2
      ALA43  HB3 -   CYS40  HB2

      ALA43  HB1 -   GLU46  HG2    d: 6.35 +/- 0.47, weight: 0.1
      ALA43  HB2 -   GLU46  HG2
      ALA43  HB3 -   GLU46  HG2

      ALA43  HB1 -   CYS40  HB2    d: 6.23 +/- 0.39, weight: 0.1
      ALA43  HB2 -   CYS40  HB2
      ALA43  HB3 -   CYS40  HB2

ref_spec: eng, ref_peak: 836, id: 835, d: 2.16, u: 2.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD21 -   LEU34   HA    d: 2.55 +/- 0.02, weight: 0.5
      LEU34 HD22 -   LEU34   HA
      LEU34 HD23 -   LEU34   HA

      LEU34 HD21 -   LEU34   HA    d: 2.55 +/- 0.02, weight: 0.5
      LEU34 HD22 -   LEU34   HA
      LEU34 HD23 -   LEU34   HA

ref_spec: eng, ref_peak: 837, id: 836, d: 5.80, u: 7.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD21 -   THR35   HA    d: 6.90 +/- 0.03, weight: 0.5
      LEU34 HD22 -   THR35   HA
      LEU34 HD23 -   THR35   HA

      LEU34 HD21 -   THR35   HA    d: 6.90 +/- 0.03, weight: 0.5
      LEU34 HD22 -   THR35   HA
      LEU34 HD23 -   THR35   HA

ref_spec: eng, ref_peak: 838, id: 837, d: 2.71, u: 2.68, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD21 -   LEU34  HB3    d: 3.58 +/- 0.44, weight: 0.3
      LEU34 HD22 -   LEU34  HB3
      LEU34 HD23 -   LEU34  HB3

      LEU34 HD21 -   LEU34  HB3    d: 3.10 +/- 0.45, weight: 0.7
      LEU34 HD22 -   LEU34  HB3
      LEU34 HD23 -   LEU34  HB3

ref_spec: eng, ref_peak: 839, id: 838, d: 2.28, u: 2.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD21 -   LEU34   HG    d: 2.56 +/- 0.00, weight: 0.5
      LEU34 HD22 -   LEU34   HG
      LEU34 HD23 -   LEU34   HG

      LEU34 HD21 -   LEU34   HG    d: 2.56 +/- 0.00, weight: 0.5
      LEU34 HD22 -   LEU34   HG
      LEU34 HD23 -   LEU34   HG

ref_spec: eng, ref_peak: 840, id: 839, d: 2.68, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD21 -   LEU34 HD11    d: 3.01 +/- 0.00, weight: 0.5
      LEU34 HD21 -   LEU34 HD12
      LEU34 HD21 -   LEU34 HD13
      LEU34 HD22 -   LEU34 HD11
      LEU34 HD22 -   LEU34 HD12
      LEU34 HD22 -   LEU34 HD13
      LEU34 HD23 -   LEU34 HD11
      LEU34 HD23 -   LEU34 HD12
      LEU34 HD23 -   LEU34 HD13

      LEU34 HD21 -   LEU34 HD11    d: 3.01 +/- 0.00, weight: 0.5
      LEU34 HD21 -   LEU34 HD12
      LEU34 HD21 -   LEU34 HD13
      LEU34 HD22 -   LEU34 HD11
      LEU34 HD22 -   LEU34 HD12
      LEU34 HD22 -   LEU34 HD13
      LEU34 HD23 -   LEU34 HD11
      LEU34 HD23 -   LEU34 HD12
      LEU34 HD23 -   LEU34 HD13

ref_spec: eng, ref_peak: 841, id: 840, d: 3.16, u: 6.25, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG12 -   HIS22  HD2    d: 3.94 +/- 1.19, weight: 0.5

      ILE11 HG12 -   HIS22  HD2    d: 3.94 +/- 1.15, weight: 0.5

ref_spec: eng, ref_peak: 842, id: 841, d: 2.98, u: 4.95, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG12 -   GLN19   HA    d: 3.98 +/- 1.07, weight: 0.5

      ILE11 HG12 -   GLN19   HA    d: 4.03 +/- 1.06, weight: 0.4

ref_spec: eng, ref_peak: 843, id: 842, d: 1.57, u: 2.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG12 -   ILE11 HG13    d: 1.76 +/- 0.00, weight: 0.5

      ILE11 HG12 -   ILE11 HG13    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 844, id: 843, d: 2.27, u: 2.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG12 -   ILE11 HD11    d: 2.54 +/- 0.00, weight: 0.5
      ILE11 HG12 -   ILE11 HD12
      ILE11 HG12 -   ILE11 HD13

      ILE11 HG12 -   ILE11 HD11    d: 2.54 +/- 0.00, weight: 0.5
      ILE11 HG12 -   ILE11 HD12
      ILE11 HG12 -   ILE11 HD13

ref_spec: eng, ref_peak: 845, id: 844, d: 3.81, u: 3.53, u_viol: 0.27, %_viol: 100.0, viol: no, reliable: no, a_type: A
      LEU42 HD21 -   LEU42    H    d: 3.89 +/- 0.35, weight: 0.5
      LEU42 HD22 -   LEU42    H
      LEU42 HD23 -   LEU42    H

      LEU42 HD21 -   LEU42    H    d: 3.89 +/- 0.34, weight: 0.5
      LEU42 HD22 -   LEU42    H
      LEU42 HD23 -   LEU42    H

ref_spec: eng, ref_peak: 846, id: 845, d: 5.06, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42 HD21 -   ALA43    H    d: 5.58 +/- 0.10, weight: 0.5
      LEU42 HD22 -   ALA43    H
      LEU42 HD23 -   ALA43    H

      LEU42 HD21 -   ALA43    H    d: 5.58 +/- 0.10, weight: 0.5
      LEU42 HD22 -   ALA43    H
      LEU42 HD23 -   ALA43    H

ref_spec: eng, ref_peak: 847, id: 846, d: 2.28, u: 2.47, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42 HD21 -   LEU42   HG    d: 2.56 +/- 0.00, weight: 0.5
      LEU42 HD22 -   LEU42   HG
      LEU42 HD23 -   LEU42   HG

      LEU42 HD21 -   LEU42   HG    d: 2.56 +/- 0.00, weight: 0.5
      LEU42 HD22 -   LEU42   HG
      LEU42 HD23 -   LEU42   HG

ref_spec: eng, ref_peak: 848, id: 847, d: 2.51, u: 2.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42 HD21 -   LEU42  HB2    d: 3.33 +/- 0.54, weight: 0.4
      LEU42 HD22 -   LEU42  HB2
      LEU42 HD23 -   LEU42  HB2

      LEU42 HD21 -   LEU42  HB2    d: 3.18 +/- 0.51, weight: 0.6
      LEU42 HD22 -   LEU42  HB2
      LEU42 HD23 -   LEU42  HB2

ref_spec: eng, ref_peak: 849, id: 848, d: 6.76, u: 8.99, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG11 -   TRP21   HA    d: 8.55 +/- 0.13, weight: 0.2
      VAL39 HG12 -   TRP21   HA
      VAL39 HG13 -   TRP21   HA

      VAL39 HG11 -   THR35   HA    d: 8.23 +/- 0.15, weight: 0.3
      VAL39 HG12 -   THR35   HA
      VAL39 HG13 -   THR35   HA

      VAL39 HG11 -   TRP21   HA    d: 8.55 +/- 0.13, weight: 0.2
      VAL39 HG12 -   TRP21   HA
      VAL39 HG13 -   TRP21   HA

      VAL39 HG11 -   THR35   HA    d: 8.23 +/- 0.15, weight: 0.3
      VAL39 HG12 -   THR35   HA
      VAL39 HG13 -   THR35   HA

ref_spec: eng, ref_peak: 850, id: 849, d: 3.83, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG11 -   CYS40   HA    d: 4.48 +/- 0.09, weight: 0.5
      VAL39 HG12 -   CYS40   HA
      VAL39 HG13 -   CYS40   HA

      VAL39 HG11 -   CYS40   HA    d: 4.48 +/- 0.09, weight: 0.5
      VAL39 HG12 -   CYS40   HA
      VAL39 HG13 -   CYS40   HA

ref_spec: eng, ref_peak: 851, id: 850, d: 4.24, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG11 -   ILE44   HA    d: 4.65 +/- 0.07, weight: 0.5
      VAL39 HG12 -   ILE44   HA
      VAL39 HG13 -   ILE44   HA

      VAL39 HG11 -   ILE44   HA    d: 4.64 +/- 0.07, weight: 0.5
      VAL39 HG12 -   ILE44   HA
      VAL39 HG13 -   ILE44   HA

ref_spec: eng, ref_peak: 852, id: 851, d: 4.54, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG11 -   TYR47  HE1    d: 5.12 +/- 0.32, weight: 0.5
      VAL39 HG11 -   TYR47  HE2
      VAL39 HG12 -   TYR47  HE1
      VAL39 HG12 -   TYR47  HE2
      VAL39 HG13 -   TYR47  HE1
      VAL39 HG13 -   TYR47  HE2

      VAL39 HG11 -   TYR47  HE1    d: 5.12 +/- 0.32, weight: 0.5
      VAL39 HG11 -   TYR47  HE2
      VAL39 HG12 -   TYR47  HE1
      VAL39 HG12 -   TYR47  HE2
      VAL39 HG13 -   TYR47  HE1
      VAL39 HG13 -   TYR47  HE2

ref_spec: eng, ref_peak: 853, id: 852, d: 4.44, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG11 -   LEU36   HA    d: 5.28 +/- 0.19, weight: 0.5
      VAL39 HG12 -   LEU36   HA
      VAL39 HG13 -   LEU36   HA

      VAL39 HG11 -   LEU36   HA    d: 5.28 +/- 0.19, weight: 0.5
      VAL39 HG12 -   LEU36   HA
      VAL39 HG13 -   LEU36   HA

ref_spec: eng, ref_peak: 854, id: 853, d: 2.61, u: 2.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28 HG12 -   ILE28   HA    d: 3.26 +/- 0.21, weight: 0.5

      ILE28 HG12 -   ILE28   HA    d: 3.26 +/- 0.21, weight: 0.5

ref_spec: eng, ref_peak: 855, id: 854, d: 2.53, u: 2.75, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL39 HG11 -   VAL39   HA    d: 2.79 +/- 0.02, weight: 0.5
      VAL39 HG12 -   VAL39   HA
      VAL39 HG13 -   VAL39   HA

      VAL39 HG11 -   VAL39   HA    d: 2.79 +/- 0.02, weight: 0.5
      VAL39 HG12 -   VAL39   HA
      VAL39 HG13 -   VAL39   HA

ref_spec: eng, ref_peak: 856, id: 855, d: 4.61, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TYR16    H -   LEU13 HD21    d: 6.02 +/- 0.93, weight: 0.5
      TYR16    H -   LEU13 HD22
      TYR16    H -   LEU13 HD23

      TYR16    H -   LEU13 HD21    d: 6.02 +/- 0.93, weight: 0.5
      TYR16    H -   LEU13 HD22
      TYR16    H -   LEU13 HD23

ref_spec: eng, ref_peak: 857, id: 856, d: 4.11, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG21 -   GLY14    H    d: 5.45 +/- 1.02, weight: 0.4
      VAL15 HG22 -   GLY14    H
      VAL15 HG23 -   GLY14    H

      VAL15 HG21 -   GLY14    H    d: 7.21 +/- 1.09, weight: 0.1
      VAL15 HG22 -   GLY14    H
      VAL15 HG23 -   GLY14    H

      VAL15 HG21 -   GLY14    H    d: 5.45 +/- 1.02, weight: 0.4
      VAL15 HG22 -   GLY14    H
      VAL15 HG23 -   GLY14    H

ref_spec: eng, ref_peak: 858, id: 857, d: 4.85, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42 HD11 -   TRP21  HH2    d: 7.03 +/- 0.51, weight: 0.1
      LEU42 HD12 -   TRP21  HH2
      LEU42 HD13 -   TRP21  HH2

      ILE44 HG21 -   TRP21  HH2    d: 6.30 +/- 0.51, weight: 0.3
      ILE44 HG22 -   TRP21  HH2
      ILE44 HG23 -   TRP21  HH2

      VAL15 HG21 -   TRP21  HH2    d: 8.63 +/- 1.02, weight: 0.0
      VAL15 HG22 -   TRP21  HH2
      VAL15 HG23 -   TRP21  HH2

      LEU42 HD11 -   TRP21  HH2    d: 7.03 +/- 0.51, weight: 0.1
      LEU42 HD12 -   TRP21  HH2
      LEU42 HD13 -   TRP21  HH2

      ILE44 HG21 -   TRP21  HH2    d: 6.30 +/- 0.50, weight: 0.3
      ILE44 HG22 -   TRP21  HH2
      ILE44 HG23 -   TRP21  HH2

ref_spec: eng, ref_peak: 859, id: 858, d: 2.65, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG21 -   VAL15   HA    d: 3.00 +/- 0.29, weight: 0.5
      VAL15 HG22 -   VAL15   HA
      VAL15 HG23 -   VAL15   HA

      VAL15 HG21 -   VAL15   HA    d: 3.00 +/- 0.29, weight: 0.5
      VAL15 HG22 -   VAL15   HA
      VAL15 HG23 -   VAL15   HA

ref_spec: eng, ref_peak: 860, id: 859, d: 4.06, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42 HD11 -   LEU42   HA    d: 4.58 +/- 0.52, weight: 0.5
      LEU42 HD12 -   LEU42   HA
      LEU42 HD13 -   LEU42   HA

      LEU42 HD11 -   LEU42   HA    d: 4.58 +/- 0.52, weight: 0.5
      LEU42 HD12 -   LEU42   HA
      LEU42 HD13 -   LEU42   HA

ref_spec: eng, ref_peak: 861, id: 860, d: 4.39, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   ILE44 HG21    d: 5.52 +/- 0.44, weight: 0.1
      LEU48 HD11 -   ILE44 HG22
      LEU48 HD11 -   ILE44 HG23
      LEU48 HD12 -   ILE44 HG21
      LEU48 HD12 -   ILE44 HG22
      LEU48 HD12 -   ILE44 HG23
      LEU48 HD13 -   ILE44 HG21
      LEU48 HD13 -   ILE44 HG22
      LEU48 HD13 -   ILE44 HG23

      LEU48 HD11 -   ILE44 HG21    d: 5.52 +/- 0.44, weight: 0.1
      LEU48 HD11 -   ILE44 HG22
      LEU48 HD11 -   ILE44 HG23
      LEU48 HD12 -   ILE44 HG21
      LEU48 HD12 -   ILE44 HG22
      LEU48 HD12 -   ILE44 HG23
      LEU48 HD13 -   ILE44 HG21
      LEU48 HD13 -   ILE44 HG22
      LEU48 HD13 -   ILE44 HG23

      LEU48 HD11 -   LEU25   HG    d: 4.77 +/- 0.22, weight: 0.3
      LEU48 HD12 -   LEU25   HG
      LEU48 HD13 -   LEU25   HG

      LEU48 HD11 -   LEU25   HG    d: 4.77 +/- 0.22, weight: 0.3
      LEU48 HD12 -   LEU25   HG
      LEU48 HD13 -   LEU25   HG

ref_spec: eng, ref_peak: 862, id: 861, d: 2.04, u: 2.86, u_viol: 0.28, %_viol: 10.0, viol: no, reliable: no, a_type: A
      LEU36 HD21 -   LEU36    H    d: 2.26 +/- 0.47, weight: 0.5
      LEU36 HD22 -   LEU36    H
      LEU36 HD23 -   LEU36    H

      LEU36 HD21 -   LEU36    H    d: 2.26 +/- 0.47, weight: 0.5
      LEU36 HD22 -   LEU36    H
      LEU36 HD23 -   LEU36    H

ref_spec: eng, ref_peak: 863, id: 862, d: 3.82, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36 HD21 -   THR35   HA    d: 4.46 +/- 0.53, weight: 0.5
      LEU36 HD22 -   THR35   HA
      LEU36 HD23 -   THR35   HA

      LEU36 HD21 -   THR35   HA    d: 4.46 +/- 0.54, weight: 0.5
      LEU36 HD22 -   THR35   HA
      LEU36 HD23 -   THR35   HA

ref_spec: eng, ref_peak: 864, id: 863, d: 5.15, u: 6.90, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36 HD21 -   MET26   HA    d: 6.61 +/- 0.30, weight: 0.5
      LEU36 HD22 -   MET26   HA
      LEU36 HD23 -   MET26   HA

      LEU36 HD21 -   MET26   HA    d: 6.61 +/- 0.30, weight: 0.5
      LEU36 HD22 -   MET26   HA
      LEU36 HD23 -   MET26   HA

ref_spec: eng, ref_peak: 865, id: 864, d: 3.86, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36 HD21 -   LEU36   HA    d: 4.32 +/- 0.16, weight: 0.5
      LEU36 HD22 -   LEU36   HA
      LEU36 HD23 -   LEU36   HA

      LEU36 HD21 -   LEU36   HA    d: 4.32 +/- 0.16, weight: 0.5
      LEU36 HD22 -   LEU36   HA
      LEU36 HD23 -   LEU36   HA

ref_spec: eng, ref_peak: 866, id: 865, d: 4.12, u: 4.67, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15 HG11 -   TYR16   HA    d: 4.79 +/- 0.57, weight: 0.5
      VAL15 HG12 -   TYR16   HA
      VAL15 HG13 -   TYR16   HA

      VAL15 HG11 -   TYR16   HA    d: 4.79 +/- 0.57, weight: 0.5
      VAL15 HG12 -   TYR16   HA
      VAL15 HG13 -   TYR16   HA

ref_spec: eng, ref_peak: 867, id: 866, d: 3.62, u: 3.70, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13 HD21 -   LEU13   HA    d: 3.83 +/- 0.53, weight: 0.5
      LEU13 HD22 -   LEU13   HA
      LEU13 HD23 -   LEU13   HA

      LEU13 HD21 -   LEU13   HA    d: 3.83 +/- 0.54, weight: 0.5
      LEU13 HD22 -   LEU13   HA
      LEU13 HD23 -   LEU13   HA

ref_spec: eng, ref_peak: 869, id: 868, d: 4.15, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13 HD11 -   LEU13    H    d: 4.52 +/- 0.15, weight: 0.5
      LEU13 HD12 -   LEU13    H
      LEU13 HD13 -   LEU13    H

      LEU13 HD11 -   LEU13    H    d: 4.52 +/- 0.15, weight: 0.5
      LEU13 HD12 -   LEU13    H
      LEU13 HD13 -   LEU13    H

ref_spec: eng, ref_peak: 870, id: 869, d: 2.49, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13 HD11 -   LEU13  HB2    d: 2.87 +/- 0.32, weight: 0.5
      LEU13 HD12 -   LEU13  HB2
      LEU13 HD13 -   LEU13  HB2

      LEU13 HD11 -   LEU13  HB2    d: 2.91 +/- 0.32, weight: 0.5
      LEU13 HD12 -   LEU13  HB2
      LEU13 HD13 -   LEU13  HB2

ref_spec: eng, ref_peak: 871, id: 870, d: 3.61, u: 3.83, u_viol: 0.68, %_viol: 40.0, viol: no, reliable: no, a_type: A
       LEU8 HD21 -    LEU8    H    d: 4.29 +/- 0.71, weight: 0.5
       LEU8 HD22 -    LEU8    H
       LEU8 HD23 -    LEU8    H

       LEU8 HD21 -    LEU8    H    d: 4.29 +/- 0.71, weight: 0.5
       LEU8 HD22 -    LEU8    H
       LEU8 HD23 -    LEU8    H

ref_spec: eng, ref_peak: 872, id: 871, d: 5.38, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13 HD11 -   HIS22  HD2    d: 6.75 +/- 0.72, weight: 0.5
      LEU13 HD12 -   HIS22  HD2
      LEU13 HD13 -   HIS22  HD2

      LEU13 HD11 -   HIS22  HD2    d: 6.75 +/- 0.72, weight: 0.5
      LEU13 HD12 -   HIS22  HD2
      LEU13 HD13 -   HIS22  HD2

ref_spec: eng, ref_peak: 873, id: 872, d: 4.41, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU13 HD11 -   LEU13   HA    d: 4.89 +/- 0.11, weight: 0.5
      LEU13 HD12 -   LEU13   HA
      LEU13 HD13 -   LEU13   HA

      LEU13 HD11 -   LEU13   HA    d: 4.89 +/- 0.11, weight: 0.5
      LEU13 HD12 -   LEU13   HA
      LEU13 HD13 -   LEU13   HA

ref_spec: eng, ref_peak: 874, id: 873, d: 2.33, u: 2.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25 HD21 -   LEU25   HA    d: 2.26 +/- 0.18, weight: 0.5
      LEU25 HD22 -   LEU25   HA
      LEU25 HD23 -   LEU25   HA

      LEU25 HD21 -   LEU25   HA    d: 2.26 +/- 0.18, weight: 0.5
      LEU25 HD22 -   LEU25   HA
      LEU25 HD23 -   LEU25   HA

ref_spec: eng, ref_peak: 875, id: 874, d: 5.50, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25 HD21 -   HIS22  HB3    d: 9.74 +/- 0.45, weight: 0.0
      LEU25 HD22 -   HIS22  HB3
      LEU25 HD23 -   HIS22  HB3

      LEU25 HD21 -   CYS40   HA    d: 6.89 +/- 0.37, weight: 0.4
      LEU25 HD22 -   CYS40   HA
      LEU25 HD23 -   CYS40   HA

      LEU25 HD21 -   HIS22  HB3    d: 9.81 +/- 0.44, weight: 0.0
      LEU25 HD22 -   HIS22  HB3
      LEU25 HD23 -   HIS22  HB3

      LEU25 HD21 -   CYS40   HA    d: 6.89 +/- 0.37, weight: 0.4
      LEU25 HD22 -   CYS40   HA
      LEU25 HD23 -   CYS40   HA

ref_spec: eng, ref_peak: 876, id: 875, d: 2.54, u: 3.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28 HG21 -   ILE28   HA    d: 2.66 +/- 0.04, weight: 0.5
      ILE28 HG22 -   ILE28   HA
      ILE28 HG23 -   ILE28   HA

      ILE28 HG21 -   ILE28   HA    d: 2.66 +/- 0.04, weight: 0.5
      ILE28 HG22 -   ILE28   HA
      ILE28 HG23 -   ILE28   HA

ref_spec: eng, ref_peak: 877, id: 876, d: 6.04, u: 11.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25 HD21 -   ILE44   HA    d: 5.17 +/- 0.40, weight: 0.5
      LEU25 HD22 -   ILE44   HA
      LEU25 HD23 -   ILE44   HA

      LEU25 HD21 -   ILE44   HA    d: 5.17 +/- 0.41, weight: 0.5
      LEU25 HD22 -   ILE44   HA
      LEU25 HD23 -   ILE44   HA

ref_spec: eng, ref_peak: 878, id: 877, d: 4.10, u: 4.52, u_viol: 0.36, %_viol: 40.0, viol: no, reliable: no, a_type: A
      LEU25 HD21 -   TRP21  HB2    d: 5.04 +/- 0.79, weight: 0.4
      LEU25 HD22 -   TRP21  HB2
      LEU25 HD23 -   TRP21  HB2

      LEU25 HD21 -   TRP21  HB2    d: 4.80 +/- 0.90, weight: 0.6
      LEU25 HD22 -   TRP21  HB2
      LEU25 HD23 -   TRP21  HB2

ref_spec: eng, ref_peak: 879, id: 878, d: 4.13, u: 5.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD11 -   LEU34   HA    d: 4.67 +/- 0.01, weight: 0.5
      LEU34 HD12 -   LEU34   HA
      LEU34 HD13 -   LEU34   HA

      LEU34 HD11 -   LEU34   HA    d: 4.67 +/- 0.01, weight: 0.5
      LEU34 HD12 -   LEU34   HA
      LEU34 HD13 -   LEU34   HA

ref_spec: eng, ref_peak: 880, id: 879, d: 5.01, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD11 -   LYS32   HA    d: 5.36 +/- 0.06, weight: 0.5
      LEU34 HD12 -   LYS32   HA
      LEU34 HD13 -   LYS32   HA

      LEU34 HD11 -   LYS32   HA    d: 5.36 +/- 0.06, weight: 0.5
      LEU34 HD12 -   LYS32   HA
      LEU34 HD13 -   LYS32   HA

ref_spec: eng, ref_peak: 881, id: 880, d: 4.43, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD11 -   VAL39   HA    d: 4.72 +/- 0.15, weight: 0.5
      LEU34 HD12 -   VAL39   HA
      LEU34 HD13 -   VAL39   HA

      LEU34 HD11 -   VAL39   HA    d: 4.72 +/- 0.15, weight: 0.5
      LEU34 HD12 -   VAL39   HA
      LEU34 HD13 -   VAL39   HA

ref_spec: eng, ref_peak: 882, id: 881, d: 4.14, u: 5.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD11 -   ASP38  HB2    d: 5.16 +/- 0.12, weight: 0.5
      LEU34 HD12 -   ASP38  HB2
      LEU34 HD13 -   ASP38  HB2

      LEU34 HD11 -   ASP38  HB2    d: 5.16 +/- 0.12, weight: 0.5
      LEU34 HD12 -   ASP38  HB2
      LEU34 HD13 -   ASP38  HB2

ref_spec: eng, ref_peak: 883, id: 882, d: 2.27, u: 2.31, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34 HD11 -   LEU34   HG    d: 2.55 +/- 0.00, weight: 0.5
      LEU34 HD12 -   LEU34   HG
      LEU34 HD13 -   LEU34   HG

      LEU34 HD11 -   LEU34   HG    d: 2.55 +/- 0.00, weight: 0.5
      LEU34 HD12 -   LEU34   HG
      LEU34 HD13 -   LEU34   HG

ref_spec: eng, ref_peak: 884, id: 883, d: 3.82, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HD11 -   TRP21  HH2    d: 4.90 +/- 0.25, weight: 0.5
      ILE44 HD12 -   TRP21  HH2
      ILE44 HD13 -   TRP21  HH2

      ILE44 HD11 -   TRP21  HH2    d: 4.91 +/- 0.25, weight: 0.5
      ILE44 HD12 -   TRP21  HH2
      ILE44 HD13 -   TRP21  HH2

ref_spec: eng, ref_peak: 885, id: 884, d: 5.21, u: 5.17, u_viol: 0.22, %_viol: 40.0, viol: no, reliable: no, a_type: A
      ILE44 HD11 -   TRP21  HB2    d: 5.12 +/- 0.54, weight: 0.5
      ILE44 HD12 -   TRP21  HB2
      ILE44 HD13 -   TRP21  HB2

      ILE44 HD11 -   TRP21  HB2    d: 4.97 +/- 0.61, weight: 0.5
      ILE44 HD12 -   TRP21  HB2
      ILE44 HD13 -   TRP21  HB2

ref_spec: eng, ref_peak: 886, id: 885, d: 2.26, u: 2.18, u_viol: 0.08, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE44 HD11 -   ILE44 HG13    d: 2.54 +/- 0.00, weight: 0.5
      ILE44 HD12 -   ILE44 HG13
      ILE44 HD13 -   ILE44 HG13

      ILE44 HD11 -   ILE44 HG13    d: 2.54 +/- 0.00, weight: 0.5
      ILE44 HD12 -   ILE44 HG13
      ILE44 HD13 -   ILE44 HG13

ref_spec: eng, ref_peak: 887, id: 886, d: 4.12, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36 HD11 -   LEU36    H    d: 4.73 +/- 0.13, weight: 0.5
      LEU36 HD12 -   LEU36    H
      LEU36 HD13 -   LEU36    H

      LEU36 HD11 -   LEU36    H    d: 4.73 +/- 0.13, weight: 0.5
      LEU36 HD12 -   LEU36    H
      LEU36 HD13 -   LEU36    H

ref_spec: eng, ref_peak: 888, id: 887, d: 3.90, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36 HD11 -   SER37    H    d: 4.52 +/- 0.12, weight: 0.5
      LEU36 HD12 -   SER37    H
      LEU36 HD13 -   SER37    H

      LEU36 HD11 -   SER37    H    d: 4.52 +/- 0.12, weight: 0.5
      LEU36 HD12 -   SER37    H
      LEU36 HD13 -   SER37    H

ref_spec: eng, ref_peak: 889, id: 888, d: 5.64, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG24    H -   LEU48 HD21    d: 8.33 +/- 0.44, weight: 0.1
      ARG24    H -   LEU48 HD22
      ARG24    H -   LEU48 HD23

      ARG24    H -   ILE28 HD11    d: 7.44 +/- 0.10, weight: 0.2
      ARG24    H -   ILE28 HD12
      ARG24    H -   ILE28 HD13

      ARG24    H -   LEU36 HD11    d: 10.39 +/- 0.63, weight: 0.0
      ARG24    H -   LEU36 HD12
      ARG24    H -   LEU36 HD13

      ALA43    H -   LEU48 HD21    d: 9.78 +/- 0.20, weight: 0.0
      ALA43    H -   LEU48 HD22
      ALA43    H -   LEU48 HD23

      ARG24    H -   ILE28 HD11    d: 7.44 +/- 0.10, weight: 0.2
      ARG24    H -   ILE28 HD12
      ARG24    H -   ILE28 HD13

      ARG24    H -   LEU36 HD11    d: 10.39 +/- 0.63, weight: 0.0
      ARG24    H -   LEU36 HD12
      ARG24    H -   LEU36 HD13

      ARG24    H -   LEU48 HD21    d: 8.33 +/- 0.45, weight: 0.1
      ARG24    H -   LEU48 HD22
      ARG24    H -   LEU48 HD23

      ALA43    H -   LEU48 HD21    d: 9.79 +/- 0.19, weight: 0.0
      ALA43    H -   LEU48 HD22
      ALA43    H -   LEU48 HD23

ref_spec: eng, ref_peak: 891, id: 890, d: 5.66, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28 HD11 -   TRP21   HA    d: 7.16 +/- 0.63, weight: 0.2
      ILE28 HD12 -   TRP21   HA
      ILE28 HD13 -   TRP21   HA

      LEU36 HD11 -   THR35   HA    d: 7.08 +/- 0.12, weight: 0.2
      LEU36 HD12 -   THR35   HA
      LEU36 HD13 -   THR35   HA

      ILE28 HD11 -   TRP21   HA    d: 7.16 +/- 0.63, weight: 0.2
      ILE28 HD12 -   TRP21   HA
      ILE28 HD13 -   TRP21   HA

      LEU36 HD11 -   THR35   HA    d: 7.08 +/- 0.12, weight: 0.2
      LEU36 HD12 -   THR35   HA
      LEU36 HD13 -   THR35   HA

ref_spec: eng, ref_peak: 892, id: 891, d: 2.56, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU36 HD11 -   LEU36 HD21    d: 2.99 +/- 0.01, weight: 0.3
      LEU36 HD11 -   LEU36 HD22
      LEU36 HD11 -   LEU36 HD23
      LEU36 HD12 -   LEU36 HD21
      LEU36 HD12 -   LEU36 HD22
      LEU36 HD12 -   LEU36 HD23
      LEU36 HD13 -   LEU36 HD21
      LEU36 HD13 -   LEU36 HD22
      LEU36 HD13 -   LEU36 HD23

      LEU36 HD11 -   ILE17 HD11    d: 3.42 +/- 0.58, weight: 0.2
      LEU36 HD11 -   ILE17 HD12
      LEU36 HD11 -   ILE17 HD13
      LEU36 HD12 -   ILE17 HD11
      LEU36 HD12 -   ILE17 HD12
      LEU36 HD12 -   ILE17 HD13
      LEU36 HD13 -   ILE17 HD11
      LEU36 HD13 -   ILE17 HD12
      LEU36 HD13 -   ILE17 HD13

      LEU36 HD11 -   LEU36 HD21    d: 2.99 +/- 0.01, weight: 0.3
      LEU36 HD11 -   LEU36 HD22
      LEU36 HD11 -   LEU36 HD23
      LEU36 HD12 -   LEU36 HD21
      LEU36 HD12 -   LEU36 HD22
      LEU36 HD12 -   LEU36 HD23
      LEU36 HD13 -   LEU36 HD21
      LEU36 HD13 -   LEU36 HD22
      LEU36 HD13 -   LEU36 HD23

ref_spec: eng, ref_peak: 893, id: 892, d: 4.39, u: 6.00, u_viol: 0.15, %_viol: 5.0, viol: no, reliable: no, a_type: A
      HIS22  HD2 -   LEU36 HD11    d: 5.47 +/- 0.66, weight: 0.5
      HIS22  HD2 -   LEU36 HD12
      HIS22  HD2 -   LEU36 HD13

      HIS22  HD2 -   LEU36 HD11    d: 5.47 +/- 0.66, weight: 0.5
      HIS22  HD2 -   LEU36 HD12
      HIS22  HD2 -   LEU36 HD13

ref_spec: eng, ref_peak: 894, id: 893, d: 4.79, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   LEU13    H    d: 5.55 +/- 0.44, weight: 0.5
      ILE11 HG22 -   LEU13    H
      ILE11 HG23 -   LEU13    H

      ILE11 HG21 -   LEU13    H    d: 5.55 +/- 0.44, weight: 0.5
      ILE11 HG22 -   LEU13    H
      ILE11 HG23 -   LEU13    H

ref_spec: eng, ref_peak: 895, id: 894, d: 5.08, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   ILE17    H    d: 5.48 +/- 0.21, weight: 0.5
      ILE11 HG22 -   ILE17    H
      ILE11 HG23 -   ILE17    H

      ILE11 HG21 -   ILE17    H    d: 5.47 +/- 0.20, weight: 0.5
      ILE11 HG22 -   ILE17    H
      ILE11 HG23 -   ILE17    H

ref_spec: eng, ref_peak: 896, id: 895, d: 2.28, u: 3.39, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   LYS12    H    d: 2.65 +/- 0.41, weight: 0.5
      ILE11 HG22 -   LYS12    H
      ILE11 HG23 -   LYS12    H

      ILE11 HG21 -   LYS12    H    d: 2.65 +/- 0.41, weight: 0.5
      ILE11 HG22 -   LYS12    H
      ILE11 HG23 -   LYS12    H

ref_spec: eng, ref_peak: 897, id: 896, d: 4.30, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   HIS22  HD2    d: 4.88 +/- 0.76, weight: 0.5
      ILE11 HG22 -   HIS22  HD2
      ILE11 HG23 -   HIS22  HD2

      ILE11 HG21 -   HIS22  HD2    d: 4.88 +/- 0.76, weight: 0.5
      ILE11 HG22 -   HIS22  HD2
      ILE11 HG23 -   HIS22  HD2

ref_spec: eng, ref_peak: 898, id: 897, d: 4.73, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   LEU13   HA    d: 5.52 +/- 0.53, weight: 0.5
      ILE11 HG22 -   LEU13   HA
      ILE11 HG23 -   LEU13   HA

      ILE11 HG21 -   LEU13   HA    d: 5.53 +/- 0.53, weight: 0.5
      ILE11 HG22 -   LEU13   HA
      ILE11 HG23 -   LEU13   HA

ref_spec: eng, ref_peak: 899, id: 898, d: 5.58, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   TYR16   HA    d: 5.93 +/- 0.28, weight: 0.5
      ILE11 HG22 -   TYR16   HA
      ILE11 HG23 -   TYR16   HA

      ILE11 HG21 -   TYR16   HA    d: 5.92 +/- 0.28, weight: 0.5
      ILE11 HG22 -   TYR16   HA
      ILE11 HG23 -   TYR16   HA

ref_spec: eng, ref_peak: 900, id: 899, d: 2.47, u: 3.36, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   ILE11   HA    d: 2.81 +/- 0.11, weight: 0.5
      ILE11 HG22 -   ILE11   HA
      ILE11 HG23 -   ILE11   HA

      ILE11 HG21 -   ILE11   HA    d: 2.81 +/- 0.11, weight: 0.5
      ILE11 HG22 -   ILE11   HA
      ILE11 HG23 -   ILE11   HA

ref_spec: eng, ref_peak: 901, id: 900, d: 4.70, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   GLN19   HA    d: 5.98 +/- 0.38, weight: 0.3
      ILE11 HG22 -   GLN19   HA
      ILE11 HG23 -   GLN19   HA

      ILE11 HG21 -   GLN19   HA    d: 5.98 +/- 0.38, weight: 0.3
      ILE11 HG22 -   GLN19   HA
      ILE11 HG23 -   GLN19   HA

      ILE11 HG21 -   HIS22  HB3    d: 6.78 +/- 0.53, weight: 0.2
      ILE11 HG22 -   HIS22  HB3
      ILE11 HG23 -   HIS22  HB3

ref_spec: eng, ref_peak: 902, id: 901, d: 5.03, u: 6.24, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   HIS22  HB2    d: 6.83 +/- 0.50, weight: 0.5
      ILE11 HG22 -   HIS22  HB2
      ILE11 HG23 -   HIS22  HB2

      ILE11 HG21 -   HIS22  HB2    d: 6.90 +/- 0.44, weight: 0.5
      ILE11 HG22 -   HIS22  HB2
      ILE11 HG23 -   HIS22  HB2

ref_spec: eng, ref_peak: 903, id: 902, d: 2.80, u: 5.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HG21 -   ILE11 HG13    d: 3.30 +/- 0.48, weight: 0.5
      ILE11 HG22 -   ILE11 HG13
      ILE11 HG23 -   ILE11 HG13

      ILE11 HG21 -   ILE11 HG13    d: 3.24 +/- 0.52, weight: 0.5
      ILE11 HG22 -   ILE11 HG13
      ILE11 HG23 -   ILE11 HG13

ref_spec: eng, ref_peak: 904, id: 903, d: 4.37, u: 3.98, u_viol: 0.82, %_viol: 75.0, viol: no, reliable: no, a_type: A
      ILE11 HD11 -   GLN19    H    d: 3.83 +/- 0.86, weight: 0.5
      ILE11 HD12 -   GLN19    H
      ILE11 HD13 -   GLN19    H

      ILE11 HD11 -   GLN19    H    d: 3.82 +/- 0.86, weight: 0.5
      ILE11 HD12 -   GLN19    H
      ILE11 HD13 -   GLN19    H

ref_spec: eng, ref_peak: 905, id: 904, d: 3.32, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HD11 -   ILE11    H    d: 3.88 +/- 0.81, weight: 0.5
      ILE11 HD12 -   ILE11    H
      ILE11 HD13 -   ILE11    H

      ILE11 HD11 -   ILE11    H    d: 3.88 +/- 0.81, weight: 0.5
      ILE11 HD12 -   ILE11    H
      ILE11 HD13 -   ILE11    H

ref_spec: eng, ref_peak: 906, id: 905, d: 5.47, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HD11 -   ILE17    H    d: 5.87 +/- 0.82, weight: 0.5
      ILE11 HD12 -   ILE17    H
      ILE11 HD13 -   ILE17    H

      ILE11 HD11 -   ILE17    H    d: 5.87 +/- 0.82, weight: 0.5
      ILE11 HD12 -   ILE17    H
      ILE11 HD13 -   ILE17    H

ref_spec: eng, ref_peak: 907, id: 906, d: 4.38, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HD11 -   LYS12    H    d: 5.51 +/- 0.56, weight: 0.5
      ILE11 HD12 -   LYS12    H
      ILE11 HD13 -   LYS12    H

      ILE11 HD11 -   LYS12    H    d: 5.51 +/- 0.56, weight: 0.5
      ILE11 HD12 -   LYS12    H
      ILE11 HD13 -   LYS12    H

ref_spec: eng, ref_peak: 908, id: 907, d: 3.38, u: 5.93, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HD11 -   GLY10    H    d: 3.72 +/- 0.64, weight: 0.5
      ILE11 HD12 -   GLY10    H
      ILE11 HD13 -   GLY10    H

      ILE11 HD11 -   GLY10    H    d: 3.72 +/- 0.64, weight: 0.5
      ILE11 HD12 -   GLY10    H
      ILE11 HD13 -   GLY10    H

ref_spec: eng, ref_peak: 910, id: 909, d: 4.43, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HD11 -   HIS22  HB2    d: 5.49 +/- 0.46, weight: 0.5
      ILE11 HD12 -   HIS22  HB2
      ILE11 HD13 -   HIS22  HB2

      ILE11 HD11 -   HIS22  HB2    d: 5.65 +/- 0.54, weight: 0.4
      ILE11 HD12 -   HIS22  HB2
      ILE11 HD13 -   HIS22  HB2

ref_spec: eng, ref_peak: 911, id: 910, d: 5.37, u: 7.15, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HD11 -   GLN19  HG2    d: 5.14 +/- 0.68, weight: 0.5
      ILE11 HD12 -   GLN19  HG2
      ILE11 HD13 -   GLN19  HG2

      ILE11 HD11 -   GLN19  HG2    d: 5.20 +/- 0.63, weight: 0.5
      ILE11 HD12 -   GLN19  HG2
      ILE11 HD13 -   GLN19  HG2

ref_spec: eng, ref_peak: 912, id: 911, d: 2.27, u: 5.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE11 HD11 -   ILE11 HG13    d: 2.55 +/- 0.00, weight: 0.5
      ILE11 HD12 -   ILE11 HG13
      ILE11 HD13 -   ILE11 HG13

      ILE11 HD11 -   ILE11 HG13    d: 2.55 +/- 0.00, weight: 0.5
      ILE11 HD12 -   ILE11 HG13
      ILE11 HD13 -   ILE11 HG13

ref_spec: eng, ref_peak: 913, id: 912, d: 4.15, u: 5.64, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG2 -   TRP21  HZ2    d: 4.02 +/- 0.49, weight: 0.4

      PRO18  HG2 -   TRP21  HZ2    d: 4.04 +/- 0.44, weight: 0.4

ref_spec: eng, ref_peak: 914, id: 913, d: 3.11, u: 4.13, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG2 -   TRP21  HH2    d: 5.49 +/- 0.41, weight: 0.1

      PRO18  HG2 -   TRP21    H    d: 4.70 +/- 0.42, weight: 0.4

      PRO18  HG2 -   TRP21    H    d: 4.78 +/- 0.25, weight: 0.3

ref_spec: eng, ref_peak: 915, id: 914, d: 2.93, u: 5.22, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG2 -   TRP21  HD1    d: 4.14 +/- 0.43, weight: 0.5

      PRO18  HG2 -   TRP21  HD1    d: 4.22 +/- 0.42, weight: 0.5

ref_spec: eng, ref_peak: 916, id: 915, d: 4.12, u: 5.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG2 -   ILE17   HA    d: 4.50 +/- 0.11, weight: 0.5

      PRO18  HG2 -   ILE17   HA    d: 4.49 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 917, id: 916, d: 3.51, u: 3.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG2 -   PRO18   HA    d: 3.92 +/- 0.20, weight: 0.5

      PRO18  HG2 -   PRO18   HA    d: 3.90 +/- 0.25, weight: 0.5

ref_spec: eng, ref_peak: 918, id: 917, d: 1.55, u: 2.56, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      PRO18  HG2 -   PRO18  HG3    d: 1.77 +/- 0.00, weight: 0.4

      PRO18  HG2 -   PRO18  HG3    d: 1.77 +/- 0.00, weight: 0.4

ref_spec: eng, ref_peak: 919, id: 918, d: 5.93, u: 6.00, u_viol: 0.09, %_viol: 10.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   ILE44    H    d: 7.50 +/- 0.11, weight: 0.1
      LEU48 HD12 -   ILE44    H
      LEU48 HD13 -   ILE44    H

      LEU48 HD11 -   ASP52    H    d: 6.93 +/- 0.15, weight: 0.2
      LEU48 HD12 -   ASP52    H
      LEU48 HD13 -   ASP52    H

      LEU48 HD11 -   ILE44    H    d: 7.50 +/- 0.11, weight: 0.1
      LEU48 HD12 -   ILE44    H
      LEU48 HD13 -   ILE44    H

      LEU48 HD11 -   ASP52    H    d: 6.93 +/- 0.15, weight: 0.2
      LEU48 HD12 -   ASP52    H
      LEU48 HD13 -   ASP52    H

      LEU48 HD11 -   MET26    H    d: 7.98 +/- 0.26, weight: 0.1
      LEU48 HD12 -   MET26    H
      LEU48 HD13 -   MET26    H

ref_spec: eng, ref_peak: 920, id: 919, d: 5.43, u: 4.49, u_viol: 0.94, %_viol: 100.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   TRP21  HD1    d: 5.01 +/- 0.27, weight: 0.5
      LEU48 HD12 -   TRP21  HD1
      LEU48 HD13 -   TRP21  HD1

      LEU48 HD11 -   TRP21  HD1    d: 5.01 +/- 0.28, weight: 0.5
      LEU48 HD12 -   TRP21  HD1
      LEU48 HD13 -   TRP21  HD1

ref_spec: eng, ref_peak: 922, id: 921, d: 5.46, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   TRP21   HA    d: 5.09 +/- 0.29, weight: 0.5
      LEU48 HD12 -   TRP21   HA
      LEU48 HD13 -   TRP21   HA

      LEU48 HD11 -   TRP21   HA    d: 5.09 +/- 0.30, weight: 0.5
      LEU48 HD12 -   TRP21   HA
      LEU48 HD13 -   TRP21   HA

ref_spec: eng, ref_peak: 923, id: 922, d: 4.24, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   ILE44   HB    d: 4.53 +/- 0.11, weight: 0.5
      LEU48 HD12 -   ILE44   HB
      LEU48 HD13 -   ILE44   HB

      LEU48 HD11 -   ILE44   HB    d: 4.53 +/- 0.11, weight: 0.5
      LEU48 HD12 -   ILE44   HB
      LEU48 HD13 -   ILE44   HB

ref_spec: eng, ref_peak: 927, id: 926, d: 2.66, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   LEU48 HD21    d: 3.01 +/- 0.00, weight: 0.5
      LEU48 HD11 -   LEU48 HD22
      LEU48 HD11 -   LEU48 HD23
      LEU48 HD12 -   LEU48 HD21
      LEU48 HD12 -   LEU48 HD22
      LEU48 HD12 -   LEU48 HD23
      LEU48 HD13 -   LEU48 HD21
      LEU48 HD13 -   LEU48 HD22
      LEU48 HD13 -   LEU48 HD23

      LEU48 HD11 -   LEU48 HD21    d: 3.01 +/- 0.00, weight: 0.5
      LEU48 HD11 -   LEU48 HD22
      LEU48 HD11 -   LEU48 HD23
      LEU48 HD12 -   LEU48 HD21
      LEU48 HD12 -   LEU48 HD22
      LEU48 HD12 -   LEU48 HD23
      LEU48 HD13 -   LEU48 HD21
      LEU48 HD13 -   LEU48 HD22
      LEU48 HD13 -   LEU48 HD23

ref_spec: eng, ref_peak: 928, id: 927, d: 2.51, u: 3.63, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25    H -   LEU25   HA    d: 2.80 +/- 0.00, weight: 0.5

      LEU25    H -   LEU25   HA    d: 2.80 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 929, id: 928, d: 2.29, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25    H -   LEU25  HB3    d: 2.90 +/- 0.12, weight: 0.5

      LEU25    H -   LEU25  HB3    d: 2.95 +/- 0.13, weight: 0.5

ref_spec: eng, ref_peak: 930, id: 929, d: 2.29, u: 3.32, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25    H -   LEU25  HB2    d: 2.22 +/- 0.28, weight: 0.5

      LEU25    H -   LEU25  HB2    d: 2.17 +/- 0.04, weight: 0.5

ref_spec: eng, ref_peak: 931, id: 930, d: 3.16, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25    H -   LEU25 HD21    d: 4.27 +/- 0.39, weight: 0.5
      LEU25    H -   LEU25 HD22
      LEU25    H -   LEU25 HD23

      LEU25    H -   LEU25 HD21    d: 4.27 +/- 0.39, weight: 0.5
      LEU25    H -   LEU25 HD22
      LEU25    H -   LEU25 HD23

ref_spec: eng, ref_peak: 932, id: 931, d: 2.44, u: 3.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25   HA -   LEU25  HB3    d: 2.97 +/- 0.01, weight: 0.5

      LEU25   HA -   LEU25  HB3    d: 2.96 +/- 0.07, weight: 0.5

ref_spec: eng, ref_peak: 933, id: 932, d: 2.44, u: 3.62, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU25   HA -   LEU25  HB2    d: 2.67 +/- 0.02, weight: 0.5

      LEU25   HA -   LEU25  HB2    d: 2.69 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 934, id: 933, d: 2.79, u: 3.84, u_viol: 0.22, %_viol: 15.0, viol: no, reliable: no, a_type: A
       ASN9    H -   GLY10    H    d: 3.58 +/- 0.66, weight: 0.5

       ASN9    H -   GLY10    H    d: 3.58 +/- 0.66, weight: 0.5

ref_spec: eng, ref_peak: 935, id: 934, d: 2.16, u: 3.37, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ASN9    H -    ASN9   HA    d: 2.59 +/- 0.31, weight: 0.5

       ASN9    H -    ASN9   HA    d: 2.59 +/- 0.31, weight: 0.5

ref_spec: eng, ref_peak: 936, id: 935, d: 2.07, u: 3.54, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLN19    H -   PRO18   HA    d: 2.16 +/- 0.02, weight: 0.5

      GLN19    H -   PRO18   HA    d: 2.16 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 937, id: 936, d: 3.51, u: 5.81, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ASP23    H -   LEU25    H    d: 4.41 +/- 0.06, weight: 0.5

      ASP23    H -   LEU25    H    d: 4.41 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 938, id: 937, d: 4.37, u: 6.20, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17    H -   GLY10  HA3    d: 4.72 +/- 0.21, weight: 0.5

      ILE17    H -   GLY10  HA3    d: 4.72 +/- 0.24, weight: 0.5

ref_spec: eng, ref_peak: 939, id: 938, d: 2.60, u: 2.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA29    H -   ILE28   HB    d: 2.74 +/- 0.08, weight: 0.5

      ALA29    H -   ILE28   HB    d: 2.74 +/- 0.08, weight: 0.5

ref_spec: eng, ref_peak: 940, id: 939, d: 3.01, u: 2.95, u_viol: 0.38, %_viol: 55.0, viol: no, reliable: no, a_type: A
       ASN9    H -    ASN9  HB2    d: 3.23 +/- 0.49, weight: 0.5
       ASN9    H -    ASN9  HB3

       ASN9    H -    ASN9  HB2    d: 3.23 +/- 0.49, weight: 0.5
       ASN9    H -    ASN9  HB3

ref_spec: eng, ref_peak: 941, id: 940, d: 4.49, u: 4.85, u_viol: 0.04, %_viol: 0.0, viol: no, reliable: no, a_type: A
       ASN9    H -    LYS6    H    d: 5.08 +/- 0.62, weight: 0.5

       ASN9    H -    LYS6    H    d: 5.08 +/- 0.62, weight: 0.5

ref_spec: eng, ref_peak: 942, id: 941, d: 4.64, u: 6.08, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   LEU48 HD11    d: 4.67 +/- 0.39, weight: 0.5
      TRP21  HE1 -   LEU48 HD12
      TRP21  HE1 -   LEU48 HD13

      TRP21  HE1 -   LEU48 HD11    d: 4.67 +/- 0.39, weight: 0.5
      TRP21  HE1 -   LEU48 HD12
      TRP21  HE1 -   LEU48 HD13

ref_spec: eng, ref_peak: 943, id: 942, d: 4.08, u: 5.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HA -   TYR16  HB3    d: 4.82 +/- 0.69, weight: 0.5

      VAL15   HA -   TYR16  HB3    d: 4.95 +/- 0.68, weight: 0.5

ref_spec: eng, ref_peak: 944, id: 943, d: 2.56, u: 4.30, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS55   HA -   LYS56    H    d: 3.25 +/- 0.11, weight: 0.5

      LYS55   HA -   LYS56    H    d: 3.25 +/- 0.11, weight: 0.5

ref_spec: eng, ref_peak: 945, id: 944, d: 2.27, u: 3.11, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      GLU27    H -   GLU27  HB3    d: 2.56 +/- 0.02, weight: 0.5

      GLU27    H -   GLU27  HB3    d: 2.56 +/- 0.02, weight: 0.5

ref_spec: eng, ref_peak: 946, id: 945, d: 4.09, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43    H -   LEU42   HG    d: 4.07 +/- 0.17, weight: 0.5

      ALA43    H -   LEU42   HG    d: 4.07 +/- 0.17, weight: 0.5

ref_spec: eng, ref_peak: 947, id: 946, d: 5.62, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41 HH21 -   ARG41    H    d: 7.90 +/- 0.82, weight: 0.1
      ARG41 HH22 -   ARG41    H

      ARG41 HH11 -   ARG41    H    d: 6.90 +/- 0.25, weight: 0.3
      ARG41 HH12 -   ARG41    H

      ARG41 HH21 -   ARG41    H    d: 7.91 +/- 0.82, weight: 0.1
      ARG41 HH22 -   ARG41    H

      ARG41 HH11 -   ARG41    H    d: 6.90 +/- 0.25, weight: 0.3
      ARG41 HH12 -   ARG41    H

ref_spec: eng, ref_peak: 948, id: 947, d: 2.41, u: 5.28, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS56   HA -   LYS56  HB3    d: 2.76 +/- 0.28, weight: 0.5

      LYS56   HA -   LYS56  HB3    d: 2.73 +/- 0.27, weight: 0.5

ref_spec: eng, ref_peak: 949, id: 948, d: 2.38, u: 4.89, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS56   HA -   LYS56  HB2    d: 2.70 +/- 0.28, weight: 0.5

      LYS56   HA -   LYS56  HB2    d: 2.73 +/- 0.28, weight: 0.5

ref_spec: eng, ref_peak: 950, id: 949, d: 5.94, u: 6.35, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HE1 -   LEU48 HD21    d: 7.63 +/- 0.42, weight: 0.3
      TRP21  HE1 -   LEU48 HD22
      TRP21  HE1 -   LEU48 HD23

      TRP21  HE1 -   LEU25 HD11    d: 8.62 +/- 0.43, weight: 0.2
      TRP21  HE1 -   LEU25 HD12
      TRP21  HE1 -   LEU25 HD13

      TRP21  HE1 -   LEU48 HD21    d: 7.62 +/- 0.42, weight: 0.3
      TRP21  HE1 -   LEU48 HD22
      TRP21  HE1 -   LEU48 HD23

ref_spec: eng, ref_peak: 951, id: 950, d: 5.17, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HH2 -   LEU25 HD11    d: 8.26 +/- 0.50, weight: 0.1
      TRP21  HH2 -   LEU25 HD12
      TRP21  HH2 -   LEU25 HD13

      TRP21  HH2 -   LEU48 HD21    d: 8.86 +/- 0.34, weight: 0.1
      TRP21  HH2 -   LEU48 HD22
      TRP21  HH2 -   LEU48 HD23

      TRP21    H -   LEU25 HD11    d: 7.94 +/- 0.29, weight: 0.2
      TRP21    H -   LEU25 HD12
      TRP21    H -   LEU25 HD13

      TRP21  HH2 -   LEU48 HD21    d: 8.86 +/- 0.34, weight: 0.1
      TRP21  HH2 -   LEU48 HD22
      TRP21  HH2 -   LEU48 HD23

      TRP21  HH2 -   LEU25 HD11    d: 8.26 +/- 0.50, weight: 0.1
      TRP21  HH2 -   LEU25 HD12
      TRP21  HH2 -   LEU25 HD13

      TRP21    H -   LEU25 HD11    d: 7.94 +/- 0.29, weight: 0.2
      TRP21    H -   LEU25 HD12
      TRP21    H -   LEU25 HD13

ref_spec: eng, ref_peak: 952, id: 951, d: 5.66, u: 6.00, u_viol: 0.17, %_viol: 35.0, viol: no, reliable: no, a_type: A
      TRP21  HD1 -   LEU48 HD21    d: 7.43 +/- 0.35, weight: 0.3
      TRP21  HD1 -   LEU48 HD22
      TRP21  HD1 -   LEU48 HD23

      TRP21  HD1 -   LEU48 HD21    d: 7.43 +/- 0.34, weight: 0.3
      TRP21  HD1 -   LEU48 HD22
      TRP21  HD1 -   LEU48 HD23

      TRP21  HD1 -   LEU25 HD11    d: 7.64 +/- 0.32, weight: 0.2
      TRP21  HD1 -   LEU25 HD12
      TRP21  HD1 -   LEU25 HD13

      TRP21  HD1 -   LEU25 HD11    d: 7.64 +/- 0.32, weight: 0.2
      TRP21  HD1 -   LEU25 HD12
      TRP21  HD1 -   LEU25 HD13

ref_spec: eng, ref_peak: 953, id: 952, d: 4.63, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      TRP21  HZ3 -   ILE17 HG13    d: 4.81 +/- 0.34, weight: 0.5

      TRP21  HZ3 -   ILE17 HG13    d: 4.73 +/- 0.34, weight: 0.5

ref_spec: eng, ref_peak: 954, id: 953, d: 1.56, u: 2.10, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12  HB2 -   LYS12  HB3    d: 1.76 +/- 0.00, weight: 0.5

      LYS12  HB2 -   LYS12  HB3    d: 1.76 +/- 0.00, weight: 0.5

ref_spec: eng, ref_peak: 955, id: 954, d: 4.17, u: 4.66, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12  HB2 -   LYS12  HE2    d: 4.21 +/- 0.98, weight: 0.5
      LYS12  HB2 -   LYS12  HE3

      LYS12  HB2 -   LYS12  HE2    d: 4.25 +/- 0.82, weight: 0.5
      LYS12  HB2 -   LYS12  HE3

ref_spec: eng, ref_peak: 956, id: 955, d: 4.61, u: 4.55, u_viol: 0.09, %_viol: 25.0, viol: no, reliable: no, a_type: A
      LYS12  HB2 -   TYR16   HA    d: 4.72 +/- 1.04, weight: 0.5

      LYS12  HB2 -   TYR16   HA    d: 4.66 +/- 1.00, weight: 0.5

ref_spec: eng, ref_peak: 957, id: 956, d: 2.72, u: 7.80, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LYS12  HB2 -   TYR16  HE1    d: 4.31 +/- 1.37, weight: 0.4
      LYS12  HB2 -   TYR16  HE2

      LYS12  HB2 -   TYR16  HE1    d: 4.16 +/- 1.41, weight: 0.6
      LYS12  HB2 -   TYR16  HE2

ref_spec: eng, ref_peak: 958, id: 957, d: 2.88, u: 3.59, u_viol: 0.22, %_viol: 15.0, viol: no, reliable: no, a_type: A
      CYS40   HA -   ILE44 HG21    d: 3.35 +/- 0.44, weight: 0.5
      CYS40   HA -   ILE44 HG22
      CYS40   HA -   ILE44 HG23

      CYS40   HA -   ILE44 HG21    d: 3.35 +/- 0.44, weight: 0.5
      CYS40   HA -   ILE44 HG22
      CYS40   HA -   ILE44 HG23

ref_spec: eng, ref_peak: 959, id: 958, d: 5.97, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ALA43   HA -   ARG41  HD3    d: 6.81 +/- 0.05, weight: 0.5

      ALA43   HA -   ARG41  HD3    d: 6.81 +/- 0.05, weight: 0.5

ref_spec: eng, ref_peak: 960, id: 959, d: 4.57, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE17 HG21 -   ARG41  HD3    d: 5.52 +/- 0.27, weight: 0.5
      ILE17 HG22 -   ARG41  HD3
      ILE17 HG23 -   ARG41  HD3

      ILE17 HG21 -   ARG41  HD3    d: 5.52 +/- 0.27, weight: 0.5
      ILE17 HG22 -   ARG41  HD3
      ILE17 HG23 -   ARG41  HD3

ref_spec: eng, ref_peak: 961, id: 960, d: 3.94, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HB -   SER37   HA    d: 3.93 +/- 0.62, weight: 0.5

      VAL15   HB -   SER37   HA    d: 3.93 +/- 0.62, weight: 0.5

ref_spec: eng, ref_peak: 962, id: 961, d: 3.28, u: 3.91, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU34  HB3 -   ASP38  HB3    d: 3.60 +/- 0.65, weight: 0.2

      LEU34  HB3 -   ASP38  HB3    d: 2.89 +/- 0.69, weight: 0.7

ref_spec: eng, ref_peak: 963, id: 962, d: 4.46, u: 6.00, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      VAL15   HB -   CYS40  HB3    d: 5.77 +/- 0.54, weight: 0.2

      VAL15   HB -   CYS40  HB3    d: 5.41 +/- 0.40, weight: 0.2

      VAL15   HB -   CYS40  HB3    d: 5.40 +/- 0.38, weight: 0.3

      VAL15   HB -   CYS40  HB3    d: 5.80 +/- 0.55, weight: 0.2

ref_spec: eng, ref_peak: 964, id: 963, d: 3.87, u: 3.72, u_viol: 0.15, %_viol: 95.0, viol: no, reliable: no, a_type: A
      VAL15   HB -   CYS40  HB2    d: 4.52 +/- 0.36, weight: 0.4

      VAL15   HB -   CYS40  HB2    d: 4.53 +/- 0.40, weight: 0.4

      VAL15   HB -   CYS40  HB2    d: 5.71 +/- 0.44, weight: 0.1

ref_spec: eng, ref_peak: 965, id: 964, d: 5.82, u: 6.00, u_viol: 0.07, %_viol: 0.0, viol: no, reliable: no, a_type: A
      SER37   HA -   LEU25   HG    d: 8.47 +/- 0.35, weight: 0.1

      ILE28 HG12 -   GLU31   HA    d: 8.31 +/- 0.23, weight: 0.1

      LEU42 HD11 -   SER37   HA    d: 8.71 +/- 0.71, weight: 0.1
      LEU42 HD12 -   SER37   HA
      LEU42 HD13 -   SER37   HA

      ILE44 HG21 -   SER37   HA    d: 8.09 +/- 0.39, weight: 0.1
      ILE44 HG22 -   SER37   HA
      ILE44 HG23 -   SER37   HA

      SER37   HA -   LEU25   HG    d: 8.47 +/- 0.35, weight: 0.1

      ILE28 HG12 -   GLU31   HA    d: 8.31 +/- 0.20, weight: 0.1

      LEU42 HD11 -   SER37   HA    d: 8.71 +/- 0.71, weight: 0.1
      LEU42 HD12 -   SER37   HA
      LEU42 HD13 -   SER37   HA

      ILE44 HG21 -   SER37   HA    d: 8.09 +/- 0.39, weight: 0.1
      ILE44 HG22 -   SER37   HA
      ILE44 HG23 -   SER37   HA

ref_spec: eng, ref_peak: 966, id: 965, d: 3.71, u: 11.59, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      LEU42 HD11 -   ASP38  HB2    d: 5.15 +/- 1.11, weight: 0.4
      LEU42 HD12 -   ASP38  HB2
      LEU42 HD13 -   ASP38  HB2

      LEU42 HD11 -   ASP38  HB2    d: 5.15 +/- 1.11, weight: 0.4
      LEU42 HD12 -   ASP38  HB2
      LEU42 HD13 -   ASP38  HB2

ref_spec: eng, ref_peak: 967, id: 966, d: 3.18, u: 3.25, u_viol: 0.12, %_viol: 15.0, viol: no, reliable: no, a_type: A
      VAL15 HG11 -   SER37   HA    d: 3.27 +/- 0.71, weight: 0.5
      VAL15 HG12 -   SER37   HA
      VAL15 HG13 -   SER37   HA

      VAL15 HG11 -   SER37   HA    d: 3.27 +/- 0.71, weight: 0.5
      VAL15 HG12 -   SER37   HA
      VAL15 HG13 -   SER37   HA

ref_spec: weit, ref_peak: 175, id: 1141, d: 6.77, u: 2.56, u_viol: 4.21, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      LYS53  HD2 -   LYS55  HG2    d: 8.13 +/- 1.51, weight: 0.5
      LYS53  HD2 -   LYS55  HG3
      LYS53  HD3 -   LYS55  HG2
      LYS53  HD3 -   LYS55  HG3

      LYS53  HD2 -   LYS55  HG2    d: 8.13 +/- 1.51, weight: 0.5
      LYS53  HD2 -   LYS55  HG3
      LYS53  HD3 -   LYS55  HG2
      LYS53  HD3 -   LYS55  HG3

ref_spec: weit, ref_peak: 214, id: 1180, d: 1.85, u: 3.46, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ILE28 HG12 -   ILE28    H    d: 1.94 +/- 0.31, weight: 0.5

      ILE28 HG12 -   ILE28    H    d: 1.94 +/- 0.31, weight: 0.5

ref_spec: eng, ref_peak: 181, id: 180, d: 6.46, u: 5.49, u_viol: 0.97, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      ASN50    H -   LEU48 HD11    d: 7.73 +/- 0.07, weight: 0.4
      ASN50    H -   LEU48 HD12
      ASN50    H -   LEU48 HD13

      ARG24 HH11 -   LEU48 HD11    d: 9.37 +/- 0.47, weight: 0.1
      ARG24 HH11 -   LEU48 HD12
      ARG24 HH11 -   LEU48 HD13
      ARG24 HH12 -   LEU48 HD11
      ARG24 HH12 -   LEU48 HD12
      ARG24 HH12 -   LEU48 HD13

      ASN50    H -   LEU48 HD11    d: 7.73 +/- 0.07, weight: 0.4
      ASN50    H -   LEU48 HD12
      ASN50    H -   LEU48 HD13

ref_spec: eng, ref_peak: 219, id: 218, d: 6.61, u: 5.68, u_viol: 0.93, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      LEU48 HD11 -   ALA43    H    d: 9.67 +/- 0.12, weight: 0.1
      LEU48 HD12 -   ALA43    H
      LEU48 HD13 -   ALA43    H

      LEU48 HD11 -   ARG24    H    d: 7.42 +/- 0.36, weight: 0.4
      LEU48 HD12 -   ARG24    H
      LEU48 HD13 -   ARG24    H

      LEU48 HD11 -   ARG24    H    d: 7.42 +/- 0.36, weight: 0.4
      LEU48 HD12 -   ARG24    H
      LEU48 HD13 -   ARG24    H

ref_spec: eng, ref_peak: 266, id: 265, d: 7.05, u: 5.57, u_viol: 1.48, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      TRP21  HD1 -   ILE44 HD11    d: 7.53 +/- 0.26, weight: 0.5
      TRP21  HD1 -   ILE44 HD12
      TRP21  HD1 -   ILE44 HD13

      TRP21  HD1 -   ILE44 HD11    d: 7.53 +/- 0.26, weight: 0.5
      TRP21  HD1 -   ILE44 HD12
      TRP21  HD1 -   ILE44 HD13

ref_spec: eng, ref_peak: 319, id: 318, d: 6.32, u: 4.66, u_viol: 1.66, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      TYR47  HE1 -   ILE44    H    d: 8.98 +/- 0.16, weight: 0.1
      TYR47  HE2 -   ILE44    H

      TYR47  HE1 -   LYS32    H    d: 9.59 +/- 0.32, weight: 0.1
      TYR47  HE2 -   LYS32    H

      TYR47  HE1 -   ILE44    H    d: 7.66 +/- 0.20, weight: 0.3
      TYR47  HE2 -   ILE44    H

      TYR47  HE1 -   ILE44    H    d: 7.66 +/- 0.19, weight: 0.3
      TYR47  HE2 -   ILE44    H

      TYR47  HE1 -   ILE44    H    d: 8.98 +/- 0.16, weight: 0.1
      TYR47  HE2 -   ILE44    H

ref_spec: eng, ref_peak: 391, id: 390, d: 2.26, u: 4.51, u_viol: 0.00, %_viol: 0.0, viol: no, reliable: no, a_type: A
      ARG41   HA -   TRP21  HZ3    d: 2.04 +/- 0.06, weight: 0.5

      ARG41   HA -   TRP21  HZ3    d: 2.04 +/- 0.06, weight: 0.5

ref_spec: eng, ref_peak: 392, id: 391, d: 6.56, u: 4.71, u_viol: 1.84, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      ARG41   HA -   TRP21  HB2    d: 6.93 +/- 0.18, weight: 0.5

      ARG41   HA -   TRP21  HB2    d: 6.89 +/- 0.20, weight: 0.5

ref_spec: eng, ref_peak: 605, id: 604, d: 6.23, u: 3.90, u_viol: 2.33, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      CYS40  HB2 -   LEU36 HD11    d: 7.13 +/- 0.64, weight: 0.4
      CYS40  HB2 -   LEU36 HD12
      CYS40  HB2 -   LEU36 HD13

      CYS40  HB2 -   LEU36 HD11    d: 9.20 +/- 0.66, weight: 0.1
      CYS40  HB2 -   LEU36 HD12
      CYS40  HB2 -   LEU36 HD13

      CYS40  HB2 -   LEU36 HD11    d: 7.20 +/- 0.61, weight: 0.4
      CYS40  HB2 -   LEU36 HD12
      CYS40  HB2 -   LEU36 HD13

ref_spec: eng, ref_peak: 740, id: 739, d: 7.10, u: 3.10, u_viol: 4.00, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      ILE44 HG13 -   TRP21   HA    d: 7.53 +/- 0.29, weight: 0.4

      ILE44 HG13 -   TRP21   HA    d: 7.50 +/- 0.33, weight: 0.5

ref_spec: eng, ref_peak: 817, id: 816, d: 1.71, u: 3.63, u_viol: 0.00, %_viol: 75.0, viol: yes, reliable: no, a_type: A
      ILE44 HG12 -   ILE44    H    d: 1.87 +/- 0.24, weight: 0.5

      ILE44 HG12 -   ILE44    H    d: 1.85 +/- 0.09, weight: 0.5

ref_spec: eng, ref_peak: 868, id: 867, d: 5.88, u: 3.97, u_viol: 1.91, %_viol: 100.0, viol: no, reliable: no, a_type: A
      LEU13 HD21 -   GLY14  HA2    d: 7.69 +/- 0.38, weight: 0.2
      LEU13 HD22 -   GLY14  HA2
      LEU13 HD23 -   GLY14  HA2

      LEU13 HD21 -   GLY14  HA2    d: 7.68 +/- 0.17, weight: 0.3
      LEU13 HD22 -   GLY14  HA2
      LEU13 HD23 -   GLY14  HA2

      LEU13 HD21 -   GLY14  HA2    d: 7.66 +/- 0.19, weight: 0.3
      LEU13 HD22 -   GLY14  HA2
      LEU13 HD23 -   GLY14  HA2

      LEU13 HD21 -   GLY14  HA2    d: 7.71 +/- 0.36, weight: 0.2
      LEU13 HD22 -   GLY14  HA2
      LEU13 HD23 -   GLY14  HA2

ref_spec: eng, ref_peak: 890, id: 889, d: 6.41, u: 4.57, u_viol: 1.84, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      TRP21  HH2 -   LEU36 HD11    d: 9.90 +/- 0.64, weight: 0.1
      TRP21  HH2 -   LEU36 HD12
      TRP21  HH2 -   LEU36 HD13

      TRP21  HH2 -   LEU48 HD21    d: 8.86 +/- 0.34, weight: 0.1
      TRP21  HH2 -   LEU48 HD22
      TRP21  HH2 -   LEU48 HD23

      TRP21    H -   LEU36 HD11    d: 8.44 +/- 0.65, weight: 0.2
      TRP21    H -   LEU36 HD12
      TRP21    H -   LEU36 HD13

      TRP21    H -   LEU48 HD21    d: 9.30 +/- 0.33, weight: 0.1
      TRP21    H -   LEU48 HD22
      TRP21    H -   LEU48 HD23

      TRP21  HH2 -   LEU48 HD21    d: 8.86 +/- 0.34, weight: 0.1
      TRP21  HH2 -   LEU48 HD22
      TRP21  HH2 -   LEU48 HD23

      TRP21  HH2 -   LEU36 HD11    d: 9.90 +/- 0.64, weight: 0.1
      TRP21  HH2 -   LEU36 HD12
      TRP21  HH2 -   LEU36 HD13

      TRP21    H -   LEU48 HD21    d: 9.30 +/- 0.32, weight: 0.1
      TRP21    H -   LEU48 HD22
      TRP21    H -   LEU48 HD23

      TRP21    H -   LEU36 HD11    d: 8.44 +/- 0.65, weight: 0.2
      TRP21    H -   LEU36 HD12
      TRP21    H -   LEU36 HD13

ref_spec: eng, ref_peak: 909, id: 908, d: 6.72, u: 4.48, u_viol: 2.42, %_viol: 95.0, viol: yes, reliable: no, a_type: A
      ILE11 HD11 -   GLN19 HE21    d: 7.57 +/- 0.44, weight: 0.5
      ILE11 HD12 -   GLN19 HE21
      ILE11 HD13 -   GLN19 HE21

      ILE11 HD11 -   GLN19 HE21    d: 7.59 +/- 0.39, weight: 0.5
      ILE11 HD12 -   GLN19 HE21
      ILE11 HD13 -   GLN19 HE21

ref_spec: eng, ref_peak: 921, id: 920, d: 5.70, u: 4.89, u_viol: 0.81, %_viol: 100.0, viol: no, reliable: no, a_type: A
      LEU48 HD11 -   TYR47  HD1    d: 6.93 +/- 0.16, weight: 0.5
      LEU48 HD11 -   TYR47  HD2
      LEU48 HD12 -   TYR47  HD1
      LEU48 HD12 -   TYR47  HD2
      LEU48 HD13 -   TYR47  HD1
      LEU48 HD13 -   TYR47  HD2

      LEU48 HD11 -   TYR47  HD1    d: 6.93 +/- 0.16, weight: 0.5
      LEU48 HD11 -   TYR47  HD2
      LEU48 HD12 -   TYR47  HD1
      LEU48 HD12 -   TYR47  HD2
      LEU48 HD13 -   TYR47  HD1
      LEU48 HD13 -   TYR47  HD2

ref_spec: eng, ref_peak: 924, id: 923, d: 6.06, u: 3.79, u_viol: 2.27, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      LEU48 HD11 -   ARG24  HG2    d: 6.99 +/- 0.50, weight: 0.5
      LEU48 HD11 -   ARG24  HG3
      LEU48 HD12 -   ARG24  HG2
      LEU48 HD12 -   ARG24  HG3
      LEU48 HD13 -   ARG24  HG2
      LEU48 HD13 -   ARG24  HG3

      LEU48 HD11 -   ARG24  HG2    d: 6.99 +/- 0.50, weight: 0.5
      LEU48 HD11 -   ARG24  HG3
      LEU48 HD12 -   ARG24  HG2
      LEU48 HD12 -   ARG24  HG3
      LEU48 HD13 -   ARG24  HG2
      LEU48 HD13 -   ARG24  HG3

ref_spec: eng, ref_peak: 925, id: 924, d: 8.75, u: 5.40, u_viol: 3.35, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      LEU48 HD11 -   VAL39 HG21    d: 9.83 +/- 0.23, weight: 0.5
      LEU48 HD11 -   VAL39 HG22
      LEU48 HD11 -   VAL39 HG23
      LEU48 HD12 -   VAL39 HG21
      LEU48 HD12 -   VAL39 HG22
      LEU48 HD12 -   VAL39 HG23
      LEU48 HD13 -   VAL39 HG21
      LEU48 HD13 -   VAL39 HG22
      LEU48 HD13 -   VAL39 HG23

      LEU48 HD11 -   VAL39 HG21    d: 9.84 +/- 0.23, weight: 0.5
      LEU48 HD11 -   VAL39 HG22
      LEU48 HD11 -   VAL39 HG23
      LEU48 HD12 -   VAL39 HG21
      LEU48 HD12 -   VAL39 HG22
      LEU48 HD12 -   VAL39 HG23
      LEU48 HD13 -   VAL39 HG21
      LEU48 HD13 -   VAL39 HG22
      LEU48 HD13 -   VAL39 HG23

ref_spec: eng, ref_peak: 926, id: 925, d: 6.35, u: 2.31, u_viol: 4.03, %_viol: 100.0, viol: yes, reliable: no, a_type: A
      LEU48 HD11 -   ILE44 HD11    d: 7.08 +/- 0.21, weight: 0.5
      LEU48 HD11 -   ILE44 HD12
      LEU48 HD11 -   ILE44 HD13
      LEU48 HD12 -   ILE44 HD11
      LEU48 HD12 -   ILE44 HD12
      LEU48 HD12 -   ILE44 HD13
      LEU48 HD13 -   ILE44 HD11
      LEU48 HD13 -   ILE44 HD12
      LEU48 HD13 -   ILE44 HD13

      LEU48 HD11 -   ILE44 HD11    d: 7.08 +/- 0.21, weight: 0.5
      LEU48 HD11 -   ILE44 HD12
      LEU48 HD11 -   ILE44 HD13
      LEU48 HD12 -   ILE44 HD11
      LEU48 HD12 -   ILE44 HD12
      LEU48 HD12 -   ILE44 HD13
      LEU48 HD13 -   ILE44 HD11
      LEU48 HD13 -   ILE44 HD12
      LEU48 HD13 -   ILE44 HD13
ASSIGN (resid 13 and name HN and segid AAAA) (resid 15 and name HN and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 15 and name HN and segid AAAA) (resid 13 and name HN and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 13 and name HN and segid AAAA) (resid 16 and name HA and segid BBBB) 1.8 0.0  2.2
ASSIGN (resid 13 and name HN and segid AAAA) (resid 15 and name HG2* and segid BBBB) 1.8 0.0  3.7
ASSIGN (resid 15 and name HN and segid AAAA) (resid 14 and name HA2 and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 41 and name HN and segid AAAA) (resid 40 and name HB1 and segid BBBB) 1.8 0.0  3.7
ASSIGN (resid 41 and name HN and segid AAAA) (resid 40 and name HB2 and segid BBBB) 1.8 0.0  3.7
ASSIGN (resid 16 and name HN and segid AAAA) (resid 13 and name HD2* and segid BBBB) 1.8 0.0  3.7
ASSIGN (resid 47 and name HD* and segid AAAA) (resid 43 and name HA and segid BBBB) 1.8 0.0  2.2
ASSIGN (resid 47 and name HE* and segid AAAA) (resid 43 and name HA and segid BBBB) 1.8 0.0  2.2
ASSIGN (resid 47 and name HD* and segid AAAA) (resid 43 and name HB* and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 47 and name HE* and segid AAAA) (resid 42 and name HB2 and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 16 and name HE* and segid AAAA) (resid 11 and name HD* and segid BBBB) 1.8 0.0  3.0
ASSIGN (resid 16 and name HE* and segid AAAA) (resid 13 and name HD2* and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 21 and name HZ3 and segid AAAA) (resid 41 and name HA and segid BBBB) 1.8 0.0  3.7
ASSIGN (resid 21 and name HH2 and segid AAAA) (resid 41 and name HA and segid BBBB) 1.8 0.0  3.7
ASSIGN (resid 11 and name HD* and segid AAAA) (resid 16 and name HE* and segid BBBB) 1.8 0.0  3.0
ASSIGN (resid 43 and name HB* and segid AAAA) (resid 47 and name HD* and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 43 and name HB* and segid AAAA) (resid 47 and name HE* and segid BBBB) 1.8 0.0  3.7
ASSIGN (resid 43 and name HA and segid AAAA) (resid 47 and name HE* and segid BBBB) 1.8 0.0 38171
ASSIGN (resid 44 and name HA and segid AAAA) (resid 43 and name HB* and segid BBBB) 1.8 0.0  3.7
ASSIGN (resid 42 and name HB2 and segid AAAA) (resid 47 and name HE* and segid BBBB) 1.8 0.0 38171
ASSIGN (resid 40 and name HA and segid AAAA) (resid 40 and name HB2 and segid BBBB) 1.8 0.0  3.7
ASSIGN (resid 40 and name HB2 and segid AAAA) (resid 40 and name HA and segid BBBB) 1.8 0.0  3.7
ASSIGN (resid 43 and name HB* and segid AAAA) (resid 44 and name HA and segid BBBB) 1.8 0.0  3.7
ASSIGN (resid 11 and name HD* and segid AAAA) (resid 19 and name HA and segid BBBB) 1.8 0.0 38171
ASSIGN (resid 17 and name HN and segid AAAA) (resid 12 and name HA and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 19 and name HN and segid AAAA) (resid 10 and name HA* and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 13 and name HN and segid BBBB) (resid 15 and name HN and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 15 and name HN and segid BBBB) (resid 13 and name HN and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 13 and name HN and segid BBBB) (resid 16 and name HA and segid AAAA) 1.8 0.0  2.2
ASSIGN (resid 13 and name HN and segid BBBB) (resid 15 and name HG2* and segid AAAA) 1.8 0.0  3.7
ASSIGN (resid 15 and name HN and segid BBBB) (resid 14 and name HA2 and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 41 and name HN and segid BBBB) (resid 40 and name HB1 and segid AAAA) 1.8 0.0  3.7
ASSIGN (resid 41 and name HN and segid BBBB) (resid 40 and name HB2 and segid AAAA) 1.8 0.0  3.7
ASSIGN (resid 16 and name HN and segid BBBB) (resid 13 and name HD2* and segid AAAA) 1.8 0.0  3.7
ASSIGN (resid 47 and name HD* and segid BBBB) (resid 43 and name HA and segid AAAA) 1.8 0.0  2.2
ASSIGN (resid 47 and name HE* and segid BBBB) (resid 43 and name HA and segid AAAA) 1.8 0.0  2.2
ASSIGN (resid 47 and name HD* and segid BBBB) (resid 43 and name HB* and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 47 and name HE* and segid BBBB) (resid 42 and name HB2 and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 16 and name HE* and segid BBBB) (resid 11 and name HD* and segid AAAA) 1.8 0.0  3.0
ASSIGN (resid 16 and name HE* and segid BBBB) (resid 13 and name HD2* and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 21 and name HZ3 and segid BBBB) (resid 41 and name HA and segid AAAA) 1.8 0.0  3.7
ASSIGN (resid 21 and name HH2 and segid BBBB) (resid 41 and name HA and segid AAAA) 1.8 0.0  3.7
ASSIGN (resid 11 and name HD* and segid BBBB) (resid 16 and name HE* and segid AAAA) 1.8 0.0  3.0
ASSIGN (resid 43 and name HB* and segid BBBB) (resid 47 and name HD* and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 43 and name HB* and segid BBBB) (resid 47 and name HE* and segid AAAA) 1.8 0.0  3.7
ASSIGN (resid 43 and name HA and segid BBBB) (resid 47 and name HE* and segid AAAA) 1.8 0.0 38171
ASSIGN (resid 44 and name HA and segid BBBB) (resid 43 and name HB* and segid AAAA) 1.8 0.0  3.7
ASSIGN (resid 26 and name HG* and segid AAAA) (resid 36 and name HD* and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 29 and name HA and segid AAAA) (resid 34 and name HD* and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 29 and name HB* and segid AAAA) (resid 34 and name HD* and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 29 and name HB* and segid AAAA) (resid 36 and name HA and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 34 and name HB* and segid AAAA) (resid 38 and name HB* and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 17 and name HG2* and segid AAAA) (resid 21 and name HH2 and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 17 and name HG2* and segid AAAA) (resid 21 and name HZ3 and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 17 and name HD* and segid AAAA) (resid 21 and name HH2 and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 17 and name HD* and segid AAAA) (resid 21 and name HZ3 and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 44 and name HG2* and segid AAAA) (resid 48 and name HD2* and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 48 and name HD2* and segid AAAA) (resid 45 and name HA and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 34 and name HG and segid AAAA) (resid 38 and name HB* and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 40 and name HA and segid AAAA) (resid 43 and name HA and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 40 and name HB3 and segid AAAA) (resid 37 and name HB* and segid AAAA) 1.8 0.0 3.0
ASSIGN (resid 26 and name HG* and segid BBBB) (resid 36 and name HD* and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 29 and name HA and segid BBBB) (resid 34 and name HD* and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 29 and name HB* and segid BBBB) (resid 34 and name HD* and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 29 and name HB* and segid BBBB) (resid 36 and name HA and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 34 and name HB* and segid BBBB) (resid 38 and name HB* and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 34 and name HG and segid BBBB) (resid 38 and name HB* and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 17 and name HG2* and segid BBBB) (resid 21 and name HH2 and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 17 and name HG2* and segid BBBB) (resid 21 and name HZ3 and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 17 and name HD* and segid BBBB) (resid 21 and name HH2 and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 17 and name HD* and segid BBBB) (resid 21 and name HZ3 and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 44 and name HG2* and segid BBBB) (resid 48 and name HD2* and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 48 and name HD2* and segid BBBB) (resid 45 and name HA and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 40 and name HA and segid BBBB) (resid 43 and name HB* and segid BBBB) 1.8 0.0 3.0
ASSIGN (resid 40 and name HB3 and segid BBBB) (resid 37 and name HA and segid BBBB) 1.8 0.0 3.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   2           1HT      GLY   2 -17.925  15.564 -10.055
    2    H2   GLY   2           2HT      GLY   2 -19.169  15.530  -8.905
    3    H3   GLY   2           3HT      GLY   2 -19.535  15.789 -10.539
    4    HA2  GLY   2           1HA      GLY   2 -20.089  13.534  -9.924
    5    HA3  GLY   2           2HA      GLY   2 -18.777  13.565 -11.096
    6    H    ARG   3           H        ARG   3 -19.658  11.695  -8.853
    7    HA   ARG   3           HA       ARG   3 -18.808  10.458  -7.147
    8    HB2  ARG   3           2HB      ARG   3 -16.245  11.014  -8.644
    9    HB3  ARG   3           1HB      ARG   3 -16.411   9.811  -7.372
   10    HG2  ARG   3           2HG      ARG   3 -18.156   8.690  -8.754
   11    HG3  ARG   3           1HG      ARG   3 -17.783   9.831 -10.051
   12    HD2  ARG   3           2HD      ARG   3 -15.811   7.945  -8.767
   13    HD3  ARG   3           1HD      ARG   3 -16.609   7.677 -10.316
   14    HE   ARG   3           HE       ARG   3 -15.422  10.096 -10.628
   15   HH11  ARG   3          1HH1      ARG   3 -14.191   6.961  -9.592
   16   HH12  ARG   3          2HH1      ARG   3 -12.620   7.237 -10.270
   17   HH21  ARG   3          1HH2      ARG   3 -13.355  10.430 -11.489
   18   HH22  ARG   3          2HH2      ARG   3 -12.141   9.188 -11.343
   19    HA   PRO   4           HA       PRO   4 -17.314  14.158  -4.714
   20    HB2  PRO   4           2HB      PRO   4 -19.733  13.787  -3.131
   21    HB3  PRO   4           1HB      PRO   4 -19.183  15.227  -3.997
   22    HG2  PRO   4           2HG      PRO   4 -21.342  13.786  -4.776
   23    HG3  PRO   4           1HG      PRO   4 -20.304  14.656  -5.922
   24    HD2  PRO   4           2HD      PRO   4 -20.338  11.738  -5.231
   25    HD3  PRO   4           1HD      PRO   4 -20.179  12.518  -6.820
   26    H    TYR   5           H        TYR   5 -18.685  11.053  -3.959
   27    HA   TYR   5           HA       TYR   5 -16.844  10.687  -1.755
   28    HB2  TYR   5           2HB      TYR   5 -18.628  10.042  -0.171
   29    HB3  TYR   5           1HB      TYR   5 -18.767  11.732  -0.647
   30    HD1  TYR   5           2HD      TYR   5 -20.604  12.468  -2.097
   31    HD2  TYR   5           1HD      TYR   5 -20.315   8.426  -0.802
   32    HE1  TYR   5           2HE      TYR   5 -22.929  12.082  -2.793
   33    HE2  TYR   5           1HE      TYR   5 -22.640   8.033  -1.493
   34    HH   TYR   5           HH       TYR   5 -24.363  10.218  -3.442
   35    H    LYS   6           H        LYS   6 -17.071   8.447  -0.873
   36    HA   LYS   6           HA       LYS   6 -17.052   6.202  -1.095
   37    HB2  LYS   6           2HB      LYS   6 -19.483   6.467  -1.343
   38    HB3  LYS   6           1HB      LYS   6 -19.285   6.643  -3.081
   39    HG2  LYS   6           2HG      LYS   6 -20.017   4.401  -2.536
   40    HG3  LYS   6           1HG      LYS   6 -18.381   4.366  -3.199
   41    HD2  LYS   6           2HD      LYS   6 -17.469   4.206  -0.934
   42    HD3  LYS   6           1HD      LYS   6 -19.102   4.246  -0.274
   43    HE2  LYS   6           2HE      LYS   6 -19.629   2.163  -1.433
   44    HE3  LYS   6           1HE      LYS   6 -18.005   2.126  -2.118
   45    HZ1  LYS   6           3HZ      LYS   6 -17.068   1.845   0.042
   46    HZ2  LYS   6           1HZ      LYS   6 -18.307   0.698  -0.129
   47    HZ3  LYS   6           2HZ      LYS   6 -18.568   2.095   0.798
   48    H    LEU   7           H        LEU   7 -17.694   7.338  -4.435
   49    HA   LEU   7           HA       LEU   7 -16.029   5.175  -5.419
   50    HB2  LEU   7           2HB      LEU   7 -17.657   7.244  -6.893
   51    HB3  LEU   7           1HB      LEU   7 -16.836   5.888  -7.640
   52    HG   LEU   7           HG       LEU   7 -19.103   5.679  -5.652
   53   HD11  LEU   7          1HD1      LEU   7 -19.029   5.204  -8.627
   54   HD12  LEU   7          2HD1      LEU   7 -19.850   6.528  -7.803
   55   HD13  LEU   7          3HD1      LEU   7 -20.396   4.868  -7.566
   56   HD21  LEU   7          3HD2      LEU   7 -17.601   3.789  -5.462
   57   HD22  LEU   7          1HD2      LEU   7 -17.627   3.562  -7.211
   58   HD23  LEU   7          2HD2      LEU   7 -19.091   3.294  -6.266
   59    H    LEU   8           H        LEU   8 -14.908   7.624  -4.071
   60    HA   LEU   8           HA       LEU   8 -13.112   8.596  -6.140
   61    HB2  LEU   8           2HB      LEU   8 -13.342   9.113  -3.177
   62    HB3  LEU   8           1HB      LEU   8 -11.987   9.700  -4.122
   63    HG   LEU   8           HG       LEU   8 -14.871  10.417  -4.648
   64   HD11  LEU   8          1HD1      LEU   8 -14.075  11.316  -2.508
   65   HD12  LEU   8          2HD1      LEU   8 -14.326  12.584  -3.706
   66   HD13  LEU   8          3HD1      LEU   8 -12.692  12.034  -3.334
   67   HD21  LEU   8          3HD2      LEU   8 -12.277  11.463  -5.781
   68   HD22  LEU   8          1HD2      LEU   8 -13.872  12.149  -6.089
   69   HD23  LEU   8          2HD2      LEU   8 -13.493  10.518  -6.641
   70    H    ASN   9           H        ASN   9 -13.127   6.518  -3.294
   71    HA   ASN   9           HA       ASN   9 -11.655   4.993  -2.483
   72    HB2  ASN   9           2HB      ASN   9 -11.804   4.474  -5.424
   73    HB3  ASN   9           1HB      ASN   9 -10.734   3.495  -4.422
   74   HD21  ASN   9          1HD2      ASN   9 -13.225   2.836  -5.888
   75   HD22  ASN   9          2HD2      ASN   9 -14.275   2.140  -4.696
   76    H    GLY  10           H        GLY  10 -10.441   7.360  -2.423
   77    HA2  GLY  10           2HA      GLY  10  -7.718   6.480  -2.357
   78    HA3  GLY  10           1HA      GLY  10  -7.995   7.751  -3.543
   79    H    ILE  11           H        ILE  11  -7.543   6.995  -0.269
   80    HA   ILE  11           HA       ILE  11  -7.953   9.824   0.467
   81    HB   ILE  11           HB       ILE  11  -8.148   7.472   2.363
   82   HG12  ILE  11          2HG1      ILE  11  -9.966   7.381   0.693
   83   HG13  ILE  11          1HG1      ILE  11 -10.568   7.732   2.310
   84   HG21  ILE  11          1HG2      ILE  11  -9.198   9.107   3.868
   85   HG22  ILE  11          2HG2      ILE  11  -8.916  10.369   2.668
   86   HG23  ILE  11          3HG2      ILE  11  -7.549   9.560   3.435
   87   HD11  ILE  11          3HD1      ILE  11 -10.139   9.734   0.102
   88   HD12  ILE  11          1HD1      ILE  11 -10.731  10.102   1.721
   89   HD13  ILE  11          2HD1      ILE  11 -11.692   9.091   0.640
   90    H    LYS  12           H        LYS  12  -6.429  10.560   2.194
   91    HA   LYS  12           HA       LYS  12  -3.792   9.605   1.361
   92    HB2  LYS  12           2HB      LYS  12  -4.205  11.895   0.829
   93    HB3  LYS  12           1HB      LYS  12  -4.791  12.234   2.447
   94    HG2  LYS  12           2HG      LYS  12  -2.580  13.169   2.085
   95    HG3  LYS  12           1HG      LYS  12  -2.547  11.930   3.339
   96    HD2  LYS  12           2HD      LYS  12  -1.566  10.345   1.858
   97    HD3  LYS  12           1HD      LYS  12  -1.831  11.396   0.463
   98    HE2  LYS  12           2HE      LYS  12  -0.098  12.170   2.799
   99    HE3  LYS  12           1HE      LYS  12   0.524  11.332   1.380
  100    HZ1  LYS  12           3HZ      LYS  12   0.661  13.872   1.453
  101    HZ2  LYS  12           1HZ      LYS  12  -0.993  13.854   1.099
  102    HZ3  LYS  12           2HZ      LYS  12   0.113  13.148   0.025
  103    H    LEU  13           H        LEU  13  -2.395   8.767   2.678
  104    HA   LEU  13           HA       LEU  13  -2.668   9.176   5.569
  105    HB2  LEU  13           2HB      LEU  13  -1.727   6.817   5.798
  106    HB3  LEU  13           1HB      LEU  13  -3.413   6.961   5.348
  107    HG   LEU  13           HG       LEU  13  -1.335   6.596   3.214
  108   HD11  LEU  13          1HD1      LEU  13  -2.592   4.392   4.843
  109   HD12  LEU  13          2HD1      LEU  13  -0.887   4.844   4.855
  110   HD13  LEU  13          3HD1      LEU  13  -1.613   4.178   3.392
  111   HD21  LEU  13          3HD2      LEU  13  -3.220   5.455   2.099
  112   HD22  LEU  13          1HD2      LEU  13  -3.598   7.131   2.509
  113   HD23  LEU  13          2HD2      LEU  13  -4.238   5.812   3.493
  114    H    GLY  14           H        GLY  14  -0.801   9.625   6.616
  115    HA2  GLY  14           2HA      GLY  14   1.542  10.036   4.885
  116    HA3  GLY  14           1HA      GLY  14   1.191  10.922   6.363
  117    H    VAL  15           H        VAL  15   2.969   8.444   5.018
  118    HA   VAL  15           HA       VAL  15   3.223   6.995   7.563
  119    HB   VAL  15           HB       VAL  15   4.279   6.115   4.876
  120   HG11  VAL  15          1HG1      VAL  15   5.277   4.984   6.759
  121   HG12  VAL  15          2HG1      VAL  15   4.205   3.879   5.900
  122   HG13  VAL  15          3HG1      VAL  15   3.684   4.611   7.417
  123   HG21  VAL  15          3HG2      VAL  15   1.599   5.470   6.100
  124   HG22  VAL  15          1HG2      VAL  15   2.280   4.706   4.662
  125   HG23  VAL  15          2HG2      VAL  15   1.884   6.424   4.646
  126    H    TYR  16           H        TYR  16   5.216   6.694   8.518
  127    HA   TYR  16           HA       TYR  16   7.529   7.968   7.232
  128    HB2  TYR  16           2HB      TYR  16   6.480   8.349   9.978
  129    HB3  TYR  16           1HB      TYR  16   8.229   8.212   9.808
  130    HD1  TYR  16           1HD      TYR  16   9.320   9.691   8.013
  131    HD2  TYR  16           2HD      TYR  16   5.470  10.453   9.648
  132    HE1  TYR  16           1HE      TYR  16   9.485  12.017   7.290
  133    HE2  TYR  16           2HE      TYR  16   5.629  12.803   8.931
  134    HH   TYR  16           HH       TYR  16   7.379  14.453   8.377
  135    H    ILE  17           H        ILE  17   9.082   6.599   6.843
  136    HA   ILE  17           HA       ILE  17   9.335   4.209   8.542
  137    HB   ILE  17           HB       ILE  17   9.791   2.835   6.605
  138   HG12  ILE  17          2HG1      ILE  17   9.228   5.326   4.976
  139   HG13  ILE  17          1HG1      ILE  17  10.796   4.546   5.154
  140   HG21  ILE  17          1HG2      ILE  17   7.550   2.828   5.579
  141   HG22  ILE  17          2HG2      ILE  17   7.231   4.406   6.295
  142   HG23  ILE  17          3HG2      ILE  17   7.474   3.001   7.333
  143   HD11  ILE  17          3HD1      ILE  17   8.366   3.367   3.831
  144   HD12  ILE  17          1HD1      ILE  17   9.920   2.558   4.026
  145   HD13  ILE  17          2HD1      ILE  17   9.798   4.002   3.019
  146    HA   PRO  18           HA       PRO  18  13.678   4.925   8.825
  147    HB2  PRO  18           2HB      PRO  18  14.134   2.189   7.748
  148    HB3  PRO  18           1HB      PRO  18  14.712   2.920   9.250
  149    HG2  PRO  18           2HG      PRO  18  12.738   1.134   9.278
  150    HG3  PRO  18           1HG      PRO  18  12.710   2.540  10.358
  151    HD2  PRO  18           2HD      PRO  18  11.188   2.054   7.834
  152    HD3  PRO  18           1HD      PRO  18  10.665   2.854   9.332
  153    H    GLN  19           H        GLN  19  15.565   5.317   7.613
  154    HA   GLN  19           HA       GLN  19  15.193   6.078   4.935
  155    HB2  GLN  19           2HB      GLN  19  16.913   7.119   6.288
  156    HB3  GLN  19           1HB      GLN  19  17.743   5.581   6.481
  157    HG2  GLN  19           2HG      GLN  19  18.892   6.953   4.859
  158    HG3  GLN  19           1HG      GLN  19  18.207   5.528   4.080
  159   HE21  GLN  19          1HE2      GLN  19  16.469   5.764   2.671
  160   HE22  GLN  19          2HE2      GLN  19  16.028   7.304   1.999
  161    H    GLU  20           H        GLU  20  16.966   3.328   6.307
  162    HA   GLU  20           HA       GLU  20  17.741   2.141   3.896
  163    HB2  GLU  20           2HB      GLU  20  17.215   0.881   6.591
  164    HB3  GLU  20           1HB      GLU  20  18.050   0.089   5.259
  165    HG2  GLU  20           2HG      GLU  20  18.960   2.646   6.551
  166    HG3  GLU  20           1HG      GLU  20  19.550   1.043   6.987
  167    H    TRP  21           H        TRP  21  14.686   2.287   5.402
  168    HA   TRP  21           HA       TRP  21  13.594  -0.085   4.177
  169    HB2  TRP  21           2HB      TRP  21  12.913   1.585   6.300
  170    HB3  TRP  21           1HB      TRP  21  11.689   1.927   5.084
  171    HD1  TRP  21           HD       TRP  21  13.225  -1.327   6.566
  172    HE1  TRP  21           1HE      TRP  21  11.274  -2.923   7.096
  173    HE3  TRP  21           3HE      TRP  21   9.383   1.569   4.936
  174    HZ2  TRP  21           2HZ      TRP  21   8.443  -2.928   6.840
  175    HZ3  TRP  21           3HZ      TRP  21   7.093   0.724   5.110
  176    HH2  TRP  21           HH       TRP  21   6.619  -1.459   6.048
  177    H    HIS  22           H        HIS  22  13.132   3.431   3.860
  178    HA   HIS  22           HA       HIS  22  11.564   3.433   1.543
  179    HB2  HIS  22           2HB      HIS  22  12.040   5.409   3.031
  180    HB3  HIS  22           1HB      HIS  22  13.643   5.502   2.309
  181    HD1  HIS  22           1HD      HIS  22  13.705   6.171  -0.295
  182    HD2  HIS  22           2HD      HIS  22  10.039   6.628   1.615
  183    HE1  HIS  22           1HE      HIS  22  12.331   7.631  -1.804
  184    HE2  HIS  22           2HE      HIS  22  10.075   7.792  -0.701
  185    H    ASP  23           H        ASP  23  15.008   3.242   2.033
  186    HA   ASP  23           HA       ASP  23  15.897   3.698  -0.587
  187    HB2  ASP  23           2HB      ASP  23  17.373   3.811   1.339
  188    HB3  ASP  23           1HB      ASP  23  17.131   2.098   1.662
  189    H    ARG  24           H        ARG  24  15.427   0.561   1.105
  190    HA   ARG  24           HA       ARG  24  16.160  -0.922  -1.241
  191    HB2  ARG  24           2HB      ARG  24  14.710  -2.020   1.169
  192    HB3  ARG  24           1HB      ARG  24  15.712  -2.899   0.030
  193    HG2  ARG  24           2HG      ARG  24  16.704  -0.828   1.971
  194    HG3  ARG  24           1HG      ARG  24  16.786  -2.569   2.209
  195    HD2  ARG  24           2HD      ARG  24  18.134  -2.669   0.070
  196    HD3  ARG  24           1HD      ARG  24  18.240  -0.911   0.158
  197    HE   ARG  24           HE       ARG  24  19.569  -2.854   1.865
  198   HH11  ARG  24          1HH1      ARG  24  18.852   0.564   1.319
  199   HH12  ARG  24          2HH1      ARG  24  19.928   1.096   2.580
  200   HH21  ARG  24          1HH2      ARG  24  20.965  -2.121   3.493
  201   HH22  ARG  24          2HH2      ARG  24  21.109  -0.415   3.817
  202    H    LEU  25           H        LEU  25  13.140   0.056   0.258
  203    HA   LEU  25           HA       LEU  25  11.452  -1.620  -1.251
  204    HB2  LEU  25           2HB      LEU  25  11.115   0.792   0.428
  205    HB3  LEU  25           1HB      LEU  25   9.850   0.493  -0.749
  206    HG   LEU  25           HG       LEU  25   9.293  -0.437   1.458
  207   HD11  LEU  25          1HD1      LEU  25   8.723  -2.705   0.729
  208   HD12  LEU  25          2HD1      LEU  25   9.797  -2.518  -0.658
  209   HD13  LEU  25          3HD1      LEU  25   8.367  -1.498  -0.509
  210   HD21  LEU  25          3HD2      LEU  25  10.519  -2.363   2.333
  211   HD22  LEU  25          1HD2      LEU  25  11.541  -0.928   2.255
  212   HD23  LEU  25          2HD2      LEU  25  11.706  -2.196   1.040
  213    H    MET  26           H        MET  26  12.524   1.741  -1.778
  214    HA   MET  26           HA       MET  26  11.107   2.060  -4.199
  215    HB2  MET  26           2HB      MET  26  13.459   3.513  -3.029
  216    HB3  MET  26           1HB      MET  26  12.800   3.928  -4.606
  217    HG2  MET  26           2HG      MET  26  11.304   3.960  -1.996
  218    HG3  MET  26           1HG      MET  26  11.908   5.366  -2.867
  219    HE1  MET  26           3HE      MET  26   9.712   5.201  -6.154
  220    HE2  MET  26           1HE      MET  26  11.270   4.412  -5.906
  221    HE3  MET  26           2HE      MET  26  11.012   6.056  -5.323
  222    H    GLU  27           H        GLU  27  14.212   0.634  -3.487
  223    HA   GLU  27           HA       GLU  27  15.229   0.617  -6.123
  224    HB2  GLU  27           2HB      GLU  27  16.515   0.071  -4.011
  225    HB3  GLU  27           1HB      GLU  27  15.718  -1.497  -4.014
  226    HG2  GLU  27           2HG      GLU  27  17.857  -1.788  -4.989
  227    HG3  GLU  27           1HG      GLU  27  16.670  -1.881  -6.293
  228    H    ILE  28           H        ILE  28  13.493  -1.863  -4.267
  229    HA   ILE  28           HA       ILE  28  13.105  -3.672  -6.401
  230    HB   ILE  28           HB       ILE  28  11.341  -3.262  -3.971
  231   HG12  ILE  28          2HG1      ILE  28  13.687  -5.134  -4.366
  232   HG13  ILE  28          1HG1      ILE  28  13.715  -3.663  -3.399
  233   HG21  ILE  28          1HG2      ILE  28  10.690  -5.601  -4.324
  234   HG22  ILE  28          2HG2      ILE  28  11.664  -5.646  -5.793
  235   HG23  ILE  28          3HG2      ILE  28  10.256  -4.587  -5.701
  236   HD11  ILE  28          3HD1      ILE  28  12.034  -4.627  -1.904
  237   HD12  ILE  28          1HD1      ILE  28  13.484  -5.624  -1.997
  238   HD13  ILE  28          2HD1      ILE  28  12.030  -6.102  -2.871
  239    H    ALA  29           H        ALA  29  11.388  -0.849  -5.295
  240    HA   ALA  29           HA       ALA  29   9.040  -1.115  -6.814
  241    HB1  ALA  29           1HB      ALA  29  10.394   1.408  -5.873
  242    HB2  ALA  29           2HB      ALA  29   9.249   0.439  -4.942
  243    HB3  ALA  29           3HB      ALA  29   8.720   1.262  -6.409
  244    H    LYS  30           H        LYS  30  12.255  -0.053  -7.688
  245    HA   LYS  30           HA       LYS  30  11.447   1.226 -10.132
  246    HB2  LYS  30           2HB      LYS  30  14.148   0.181  -9.254
  247    HB3  LYS  30           1HB      LYS  30  13.870   1.144 -10.698
  248    HG2  LYS  30           2HG      LYS  30  13.328   2.072  -7.887
  249    HG3  LYS  30           1HG      LYS  30  14.791   2.426  -8.806
  250    HD2  LYS  30           2HD      LYS  30  13.311   3.463 -10.555
  251    HD3  LYS  30           1HD      LYS  30  11.977   3.299  -9.409
  252    HE2  LYS  30           2HE      LYS  30  12.938   5.532  -9.296
  253    HE3  LYS  30           1HE      LYS  30  13.201   4.658  -7.786
  254    HZ1  LYS  30           3HZ      LYS  30  15.177   5.871  -8.531
  255    HZ2  LYS  30           1HZ      LYS  30  15.216   4.955  -9.958
  256    HZ3  LYS  30           2HZ      LYS  30  15.464   4.206  -8.455
  257    H    GLU  31           H        GLU  31  12.631  -1.904  -9.146
  258    HA   GLU  31           HA       GLU  31  12.808  -3.110 -11.683
  259    HB2  GLU  31           2HB      GLU  31  13.763  -4.016  -9.583
  260    HB3  GLU  31           1HB      GLU  31  12.141  -4.385  -9.026
  261    HG2  GLU  31           2HG      GLU  31  11.858  -5.964 -10.847
  262    HG3  GLU  31           1HG      GLU  31  13.470  -5.573 -11.450
  263    H    LYS  32           H        LYS  32  10.104  -2.539  -9.529
  264    HA   LYS  32           HA       LYS  32   8.328  -4.177 -11.172
  265    HB2  LYS  32           2HB      LYS  32   8.245  -3.109  -8.408
  266    HB3  LYS  32           1HB      LYS  32   6.702  -3.279  -9.230
  267    HG2  LYS  32           2HG      LYS  32   7.351  -5.231  -7.831
  268    HG3  LYS  32           1HG      LYS  32   7.015  -5.621  -9.516
  269    HD2  LYS  32           2HD      LYS  32   9.412  -5.674  -9.983
  270    HD3  LYS  32           1HD      LYS  32   9.753  -5.253  -8.303
  271    HE2  LYS  32           2HE      LYS  32   8.950  -7.319  -7.514
  272    HE3  LYS  32           1HE      LYS  32   8.151  -7.684  -9.042
  273    HZ1  LYS  32           3HZ      LYS  32  10.217  -8.947  -8.691
  274    HZ2  LYS  32           1HZ      LYS  32  11.099  -7.497  -8.691
  275    HZ3  LYS  32           2HZ      LYS  32  10.267  -7.985 -10.086
  276    H    ASN  33           H        ASN  33   9.336  -1.040 -11.180
  277    HA   ASN  33           HA       ASN  33   8.628   0.894 -12.132
  278    HB2  ASN  33           2HB      ASN  33   8.095  -0.719 -14.015
  279    HB3  ASN  33           1HB      ASN  33   6.433  -0.725 -13.440
  280   HD21  ASN  33          1HD2      ASN  33   8.955   1.179 -14.911
  281   HD22  ASN  33          2HD2      ASN  33   7.924   2.440 -15.516
  282    H    LEU  34           H        LEU  34   7.794   0.332  -9.591
  283    HA   LEU  34           HA       LEU  34   5.196   1.702  -9.413
  284    HB2  LEU  34           2HB      LEU  34   6.169  -0.628  -7.748
  285    HB3  LEU  34           1HB      LEU  34   4.752   0.332  -7.364
  286    HG   LEU  34           HG       LEU  34   5.075  -1.295  -9.886
  287   HD11  LEU  34          1HD1      LEU  34   4.981  -2.741  -7.926
  288   HD12  LEU  34          2HD1      LEU  34   3.485  -2.845  -8.854
  289   HD13  LEU  34          3HD1      LEU  34   3.536  -1.903  -7.364
  290   HD21  LEU  34          3HD2      LEU  34   2.672  -0.907 -10.134
  291   HD22  LEU  34          1HD2      LEU  34   3.568   0.612 -10.127
  292   HD23  LEU  34          2HD2      LEU  34   2.682   0.103  -8.689
  293    H    THR  35           H        THR  35   4.922   2.695  -7.170
  294    HA   THR  35           HA       THR  35   7.542   3.580  -6.155
  295    HB   THR  35           HB       THR  35   6.279   5.381  -4.981
  296    HG1  THR  35           1HG      THR  35   4.113   4.076  -6.250
  297   HG21  THR  35          3HG2      THR  35   5.883   5.268  -7.971
  298   HG22  THR  35          1HG2      THR  35   7.327   5.834  -7.131
  299   HG23  THR  35          2HG2      THR  35   5.813   6.725  -6.981
  300    H    LEU  36           H        LEU  36   7.695   3.780  -3.717
  301    HA   LEU  36           HA       LEU  36   7.126   1.308  -2.535
  302    HB2  LEU  36           2HB      LEU  36   8.073   2.115  -0.570
  303    HB3  LEU  36           1HB      LEU  36   8.871   3.022  -1.835
  304    HG   LEU  36           HG       LEU  36   6.571   4.111  -0.217
  305   HD11  LEU  36          1HD1      LEU  36   8.249   5.326   1.059
  306   HD12  LEU  36          2HD1      LEU  36   9.532   4.511   0.162
  307   HD13  LEU  36          3HD1      LEU  36   8.472   3.585   1.225
  308   HD21  LEU  36          3HD2      LEU  36   7.380   6.274  -1.043
  309   HD22  LEU  36          1HD2      LEU  36   6.901   5.212  -2.368
  310   HD23  LEU  36          2HD2      LEU  36   8.609   5.445  -1.998
  311    H    SER  37           H        SER  37   5.303   4.276  -2.577
  312    HA   SER  37           HA       SER  37   3.404   3.765  -0.614
  313    HB2  SER  37           2HB      SER  37   2.944   5.112  -3.287
  314    HB3  SER  37           1HB      SER  37   1.988   5.331  -1.821
  315    HG   SER  37           HG       SER  37   3.376   6.763  -1.201
  316    H    ASP  38           H        ASP  38   3.545   2.709  -3.988
  317    HA   ASP  38           HA       ASP  38   1.017   1.430  -4.036
  318    HB2  ASP  38           2HB      ASP  38   3.474   0.798  -5.692
  319    HB3  ASP  38           1HB      ASP  38   1.827   0.302  -6.054
  320    H    VAL  39           H        VAL  39   4.291   0.345  -3.320
  321    HA   VAL  39           HA       VAL  39   3.704  -2.404  -3.054
  322    HB   VAL  39           HB       VAL  39   5.931  -0.865  -1.703
  323   HG11  VAL  39          1HG1      VAL  39   5.676  -3.790  -2.404
  324   HG12  VAL  39          2HG1      VAL  39   5.623  -3.095  -0.782
  325   HG13  VAL  39          3HG1      VAL  39   7.112  -3.017  -1.728
  326   HG21  VAL  39          3HG2      VAL  39   5.872  -2.183  -4.419
  327   HG22  VAL  39          1HG2      VAL  39   7.303  -1.507  -3.642
  328   HG23  VAL  39          2HG2      VAL  39   5.966  -0.451  -4.096
  329    H    CYS  40           H        CYS  40   3.650   0.279  -0.780
  330    HA   CYS  40           HA       CYS  40   3.277  -1.254   1.572
  331    HB2  CYS  40           2HB      CYS  40   3.834   1.321   1.150
  332    HB3  CYS  40           1HB      CYS  40   2.091   1.501   1.305
  333    HG   CYS  40           HG       CYS  40   3.227  -0.325   3.781
  334    H    ARG  41           H        ARG  41   0.916   0.587  -0.348
  335    HA   ARG  41           HA       ARG  41  -1.456  -0.412   0.492
  336    HB2  ARG  41           2HB      ARG  41  -1.253   1.277  -1.247
  337    HB3  ARG  41           1HB      ARG  41  -0.558   0.104  -2.351
  338    HG2  ARG  41           2HG      ARG  41  -3.277  -0.428  -1.278
  339    HG3  ARG  41           1HG      ARG  41  -3.084   0.839  -2.490
  340    HD2  ARG  41           2HD      ARG  41  -2.096  -0.726  -4.036
  341    HD3  ARG  41           1HD      ARG  41  -2.118  -2.002  -2.813
  342    HE   ARG  41           HE       ARG  41  -4.728  -1.230  -3.024
  343   HH11  ARG  41          1HH1      ARG  41  -2.348  -2.225  -5.402
  344   HH12  ARG  41          2HH1      ARG  41  -3.515  -3.062  -6.388
  345   HH21  ARG  41          1HH2      ARG  41  -6.240  -2.284  -4.324
  346   HH22  ARG  41          2HH2      ARG  41  -5.733  -3.091  -5.779
  347    H    LEU  42           H        LEU  42   0.699  -2.004  -1.864
  348    HA   LEU  42           HA       LEU  42  -0.951  -4.266  -2.276
  349    HB2  LEU  42           2HB      LEU  42   2.019  -3.883  -2.621
  350    HB3  LEU  42           1HB      LEU  42   1.167  -5.333  -3.111
  351    HG   LEU  42           HG       LEU  42   0.602  -2.577  -4.196
  352   HD11  LEU  42          1HD1      LEU  42   1.723  -3.344  -6.217
  353   HD12  LEU  42          2HD1      LEU  42   2.118  -4.873  -5.433
  354   HD13  LEU  42          3HD1      LEU  42   2.827  -3.371  -4.843
  355   HD21  LEU  42          3HD2      LEU  42  -1.325  -4.068  -4.268
  356   HD22  LEU  42          1HD2      LEU  42  -0.345  -5.313  -5.044
  357   HD23  LEU  42          2HD2      LEU  42  -0.682  -3.802  -5.890
  358    H    ALA  43           H        ALA  43   1.258  -3.400   0.210
  359    HA   ALA  43           HA       ALA  43   1.880  -5.999   1.135
  360    HB1  ALA  43           1HB      ALA  43   2.000  -3.370   2.592
  361    HB2  ALA  43           2HB      ALA  43   3.285  -4.064   1.602
  362    HB3  ALA  43           3HB      ALA  43   2.782  -4.870   3.089
  363    H    ILE  44           H        ILE  44  -0.443  -3.523   2.267
  364    HA   ILE  44           HA       ILE  44  -1.477  -5.185   4.333
  365    HB   ILE  44           HB       ILE  44  -3.518  -3.549   4.108
  366   HG12  ILE  44          2HG1      ILE  44  -1.331  -2.033   2.673
  367   HG13  ILE  44          1HG1      ILE  44  -2.854  -2.573   1.971
  368   HG21  ILE  44          1HG2      ILE  44  -2.147  -3.576   6.033
  369   HG22  ILE  44          2HG2      ILE  44  -2.253  -1.897   5.500
  370   HG23  ILE  44          3HG2      ILE  44  -0.802  -2.840   5.166
  371   HD11  ILE  44          3HD1      ILE  44  -2.557  -0.568   4.197
  372   HD12  ILE  44          1HD1      ILE  44  -4.078  -1.111   3.491
  373   HD13  ILE  44          2HD1      ILE  44  -2.926  -0.205   2.510
  374    H    LYS  45           H        LYS  45  -2.210  -4.758   0.959
  375    HA   LYS  45           HA       LYS  45  -4.706  -6.001   0.911
  376    HB2  LYS  45           2HB      LYS  45  -3.745  -4.845  -1.039
  377    HB3  LYS  45           1HB      LYS  45  -2.545  -6.120  -1.203
  378    HG2  LYS  45           2HG      LYS  45  -4.441  -6.319  -2.785
  379    HG3  LYS  45           1HG      LYS  45  -4.231  -7.732  -1.745
  380    HD2  LYS  45           2HD      LYS  45  -6.019  -6.926  -0.287
  381    HD3  LYS  45           1HD      LYS  45  -6.218  -5.501  -1.307
  382    HE2  LYS  45           2HE      LYS  45  -7.918  -7.194  -1.775
  383    HE3  LYS  45           1HE      LYS  45  -6.885  -6.904  -3.173
  384    HZ1  LYS  45           3HZ      LYS  45  -7.363  -9.271  -2.754
  385    HZ2  LYS  45           1HZ      LYS  45  -6.536  -9.173  -1.276
  386    HZ3  LYS  45           2HZ      LYS  45  -5.705  -8.922  -2.738
  387    H    GLU  46           H        GLU  46  -1.449  -7.431   0.593
  388    HA   GLU  46           HA       GLU  46  -2.499 -10.100   0.569
  389    HB2  GLU  46           2HB      GLU  46  -0.323  -9.474  -0.512
  390    HB3  GLU  46           1HB      GLU  46   0.354  -9.240   1.095
  391    HG2  GLU  46           2HG      GLU  46   0.033 -11.554   1.630
  392    HG3  GLU  46           1HG      GLU  46  -0.832 -11.826   0.122
  393    H    TYR  47           H        TYR  47  -1.490  -7.803   2.944
  394    HA   TYR  47           HA       TYR  47  -1.057  -9.509   5.119
  395    HB2  TYR  47           2HB      TYR  47  -0.461  -7.136   5.184
  396    HB3  TYR  47           1HB      TYR  47  -2.157  -6.688   5.073
  397    HD1  TYR  47           2HD      TYR  47   0.465  -8.031   7.258
  398    HD2  TYR  47           1HD      TYR  47  -3.605  -6.816   7.012
  399    HE1  TYR  47           2HE      TYR  47   0.321  -8.027   9.712
  400    HE2  TYR  47           1HE      TYR  47  -3.757  -6.807   9.465
  401    HH   TYR  47           HH       TYR  47  -2.580  -7.939  11.386
  402    H    LEU  48           H        LEU  48  -3.985  -7.949   3.898
  403    HA   LEU  48           HA       LEU  48  -5.754  -8.953   5.853
  404    HB2  LEU  48           2HB      LEU  48  -6.324  -8.171   2.990
  405    HB3  LEU  48           1HB      LEU  48  -7.531  -8.401   4.239
  406    HG   LEU  48           HG       LEU  48  -5.400  -6.262   4.241
  407   HD11  LEU  48          1HD1      LEU  48  -7.073  -5.840   2.545
  408   HD12  LEU  48          2HD1      LEU  48  -7.302  -4.734   3.900
  409   HD13  LEU  48          3HD1      LEU  48  -8.365  -6.129   3.710
  410   HD21  LEU  48          3HD2      LEU  48  -6.011  -6.991   6.492
  411   HD22  LEU  48          1HD2      LEU  48  -7.714  -6.739   6.115
  412   HD23  LEU  48          2HD2      LEU  48  -6.609  -5.365   6.162
  413    H    ASP  49           H        ASP  49  -5.049 -10.045   2.556
  414    HA   ASP  49           HA       ASP  49  -6.709 -12.298   2.545
  415    HB2  ASP  49           2HB      ASP  49  -4.302 -11.460   0.978
  416    HB3  ASP  49           1HB      ASP  49  -4.959 -13.078   0.753
  417    H    ASN  50           H        ASN  50  -3.539 -11.835   3.887
  418    HA   ASN  50           HA       ASN  50  -3.005 -14.665   4.177
  419    HB2  ASN  50           2HB      ASN  50  -1.253 -12.867   3.776
  420    HB3  ASN  50           1HB      ASN  50  -1.504 -12.373   5.445
  421   HD21  ASN  50          1HD2      ASN  50   0.875 -13.397   4.123
  422   HD22  ASN  50          2HD2      ASN  50   1.357 -14.801   5.010
  423    H    HIS  51           H        HIS  51  -4.006 -11.973   6.247
  424    HA   HIS  51           HA       HIS  51  -3.844 -13.662   8.613
  425    HB2  HIS  51           2HB      HIS  51  -4.296 -10.733   8.167
  426    HB3  HIS  51           1HB      HIS  51  -4.699 -11.463   9.717
  427    HD1  HIS  51           1HD      HIS  51  -2.885 -11.139  11.350
  428    HD2  HIS  51           2HD      HIS  51  -1.397 -11.614   7.492
  429    HE1  HIS  51           1HE      HIS  51  -0.388 -10.979  11.563
  430    HE2  HIS  51           2HE      HIS  51   0.498 -11.162   9.210
  431    H    ASP  52           H        ASP  52  -6.207 -12.716   6.337
  432    HA   ASP  52           HA       ASP  52  -8.189 -14.140   7.949
  433    HB2  ASP  52           2HB      ASP  52  -8.695 -11.729   8.215
  434    HB3  ASP  52           1HB      ASP  52  -8.810 -11.574   6.463
  435    H    LYS  53           H        LYS  53  -9.293 -15.603   6.832
  436    HA   LYS  53           HA       LYS  53  -8.610 -15.859   3.985
  437    HB2  LYS  53           2HB      LYS  53  -9.722 -17.932   5.866
  438    HB3  LYS  53           1HB      LYS  53  -9.055 -18.220   4.264
  439    HG2  LYS  53           2HG      LYS  53  -7.519 -17.263   6.677
  440    HG3  LYS  53           1HG      LYS  53  -7.497 -18.895   6.011
  441    HD2  LYS  53           2HD      LYS  53  -6.607 -16.419   4.533
  442    HD3  LYS  53           1HD      LYS  53  -5.529 -17.542   5.358
  443    HE2  LYS  53           2HE      LYS  53  -7.364 -18.219   3.062
  444    HE3  LYS  53           1HE      LYS  53  -5.620 -17.981   2.952
  445    HZ1  LYS  53           3HZ      LYS  53  -7.067 -20.157   4.357
  446    HZ2  LYS  53           1HZ      LYS  53  -5.411 -19.853   4.582
  447    HZ3  LYS  53           2HZ      LYS  53  -5.994 -20.293   3.053
  448    H    GLN  54           H        GLN  54 -11.047 -14.750   5.859
  449    HA   GLN  54           HA       GLN  54 -13.274 -15.911   4.418
  450    HB2  GLN  54           2HB      GLN  54 -13.326 -13.543   6.292
  451    HB3  GLN  54           1HB      GLN  54 -14.671 -14.581   5.838
  452    HG2  GLN  54           2HG      GLN  54 -13.707 -16.428   7.043
  453    HG3  GLN  54           1HG      GLN  54 -12.273 -15.470   7.418
  454   HE21  GLN  54          1HE2      GLN  54 -12.457 -13.727   8.868
  455   HE22  GLN  54          2HE2      GLN  54 -13.766 -13.652  10.014
  456    H    LYS  55           H        LYS  55 -11.768 -12.704   4.754
  457    HA   LYS  55           HA       LYS  55 -11.659 -10.914   3.353
  458    HB2  LYS  55           2HB      LYS  55 -12.048 -13.104   1.310
  459    HB3  LYS  55           1HB      LYS  55 -11.678 -11.439   0.886
  460    HG2  LYS  55           2HG      LYS  55  -9.514 -11.699   1.336
  461    HG3  LYS  55           1HG      LYS  55  -9.843 -12.520   2.863
  462    HD2  LYS  55           2HD      LYS  55  -8.617 -13.951   1.286
  463    HD3  LYS  55           1HD      LYS  55 -10.200 -14.614   1.689
  464    HE2  LYS  55           2HE      LYS  55  -9.704 -14.827  -0.698
  465    HE3  LYS  55           1HE      LYS  55 -11.102 -13.794  -0.412
  466    HZ1  LYS  55           3HZ      LYS  55  -8.376 -12.698  -0.812
  467    HZ2  LYS  55           1HZ      LYS  55  -9.858 -11.877  -0.902
  468    HZ3  LYS  55           2HZ      LYS  55  -9.432 -12.995  -2.107
  469    H    LYS  56           H        LYS  56 -13.708 -10.298   4.416
  470    HA   LYS  56           HA       LYS  56 -16.118 -10.635   2.825
  471    HB2  LYS  56           2HB      LYS  56 -15.615  -9.396   5.530
  472    HB3  LYS  56           1HB      LYS  56 -17.183  -9.366   4.738
  473    HG2  LYS  56           2HG      LYS  56 -17.203 -11.825   4.727
  474    HG3  LYS  56           1HG      LYS  56 -15.657 -11.822   5.581
  475    HD2  LYS  56           2HD      LYS  56 -16.645 -10.723   7.477
  476    HD3  LYS  56           1HD      LYS  56 -18.164 -10.495   6.610
  477    HE2  LYS  56           2HE      LYS  56 -18.438 -12.944   6.507
  478    HE3  LYS  56           1HE      LYS  56 -16.955 -13.129   7.446
  479    HZ1  LYS  56           3HZ      LYS  56 -19.344 -11.637   8.388
  480    HZ2  LYS  56           1HZ      LYS  56 -17.961 -12.028   9.292
  481    HZ3  LYS  56           2HZ      LYS  56 -19.022 -13.254   8.784
  482    H1   GLY   2           1HT      GLY   2  23.414  16.876  18.260
  483    H2   GLY   2           2HT      GLY   2  22.011  15.929  18.299
  484    H3   GLY   2           3HT      GLY   2  22.218  17.086  17.080
  485    HA2  GLY   2           1HA      GLY   2  24.162  15.830  16.264
  486    HA3  GLY   2           2HA      GLY   2  23.782  14.595  17.456
  487    H    ARG   3           H        ARG   3  23.822  13.499  15.191
  488    HA   ARG   3           HA       ARG   3  22.741  12.387  13.548
  489    HB2  ARG   3           2HB      ARG   3  20.234  13.127  15.068
  490    HB3  ARG   3           1HB      ARG   3  20.328  11.941  13.775
  491    HG2  ARG   3           2HG      ARG   3  21.994  10.701  15.211
  492    HG3  ARG   3           1HG      ARG   3  21.529  11.790  16.521
  493    HD2  ARG   3           2HD      ARG   3  19.701   9.959  14.978
  494    HD3  ARG   3           1HD      ARG   3  20.259   9.709  16.632
  495    HE   ARG   3           HE       ARG   3  19.064  12.058  16.901
  496   HH11  ARG   3          1HH1      ARG   3  17.951   9.210  15.152
  497   HH12  ARG   3          2HH1      ARG   3  16.267   9.569  15.392
  498   HH21  ARG   3          1HH2      ARG   3  16.852  12.506  17.236
  499   HH22  ARG   3          2HH2      ARG   3  15.643  11.426  16.600
  500    HA   PRO   4           HA       PRO   4  21.833  16.403  11.417
  501    HB2  PRO   4           2HB      PRO   4  23.856  15.483   9.524
  502    HB3  PRO   4           1HB      PRO   4  23.815  16.977  10.469
  503    HG2  PRO   4           2HG      PRO   4  25.591  14.994  10.958
  504    HG3  PRO   4           1HG      PRO   4  24.952  16.042  12.238
  505    HD2  PRO   4           2HD      PRO   4  24.159  13.252  11.499
  506    HD3  PRO   4           1HD      PRO   4  24.369  13.976  13.109
  507    H    TYR   5           H        TYR   5  22.766  13.373   9.827
  508    HA   TYR   5           HA       TYR   5  20.308  13.340   8.296
  509    HB2  TYR   5           2HB      TYR   5  21.606  13.029   6.145
  510    HB3  TYR   5           1HB      TYR   5  21.633  14.659   6.806
  511    HD1  TYR   5           1HD      TYR   5  23.642  11.603   6.273
  512    HD2  TYR   5           2HD      TYR   5  23.669  15.663   7.550
  513    HE1  TYR   5           1HE      TYR   5  26.102  11.605   6.211
  514    HE2  TYR   5           2HE      TYR   5  26.125  15.675   7.488
  515    HH   TYR   5           HH       TYR   5  27.977  14.123   7.587
  516    H    LYS   6           H        LYS   6  20.046  11.335   7.120
  517    HA   LYS   6           HA       LYS   6  20.093   9.087   6.830
  518    HB2  LYS   6           2HB      LYS   6  22.498   9.392   6.327
  519    HB3  LYS   6           1HB      LYS   6  22.865   9.177   8.032
  520    HG2  LYS   6           2HG      LYS   6  23.307   7.098   7.047
  521    HG3  LYS   6           1HG      LYS   6  21.739   6.908   7.830
  522    HD2  LYS   6           2HD      LYS   6  20.642   7.330   5.656
  523    HD3  LYS   6           1HD      LYS   6  22.233   7.418   4.897
  524    HE2  LYS   6           2HE      LYS   6  22.651   5.094   5.775
  525    HE3  LYS   6           1HE      LYS   6  20.950   5.040   6.228
  526    HZ1  LYS   6           3HZ      LYS   6  20.975   4.049   4.150
  527    HZ2  LYS   6           1HZ      LYS   6  22.149   5.115   3.534
  528    HZ3  LYS   6           2HZ      LYS   6  20.564   5.650   3.771
  529    H    LEU   7           H        LEU   7  21.527   9.976   9.973
  530    HA   LEU   7           HA       LEU   7  20.537   7.534  11.170
  531    HB2  LEU   7           2HB      LEU   7  22.077   9.847  12.345
  532    HB3  LEU   7           1HB      LEU   7  21.670   8.377  13.211
  533    HG   LEU   7           HG       LEU   7  23.424   8.524  10.757
  534   HD11  LEU   7          1HD1      LEU   7  24.490   9.526  12.696
  535   HD12  LEU   7          2HD1      LEU   7  25.243   7.982  12.300
  536   HD13  LEU   7          3HD1      LEU   7  24.123   8.093  13.656
  537   HD21  LEU   7          3HD2      LEU   7  22.718   6.219  12.572
  538   HD22  LEU   7          1HD2      LEU   7  23.941   6.175  11.301
  539   HD23  LEU   7          2HD2      LEU   7  22.245   6.410  10.883
  540    H    LEU   8           H        LEU   8  18.944  10.165  10.375
  541    HA   LEU   8           HA       LEU   8  17.367  10.422  12.797
  542    HB2  LEU   8           2HB      LEU   8  17.001  11.508  10.000
  543    HB3  LEU   8           1HB      LEU   8  15.857  11.787  11.300
  544    HG   LEU   8           HG       LEU   8  18.747  12.670  11.321
  545   HD11  LEU   8          1HD1      LEU   8  17.434  13.889   9.664
  546   HD12  LEU   8          2HD1      LEU   8  17.857  14.920  11.030
  547   HD13  LEU   8          3HD1      LEU   8  16.224  14.267  10.891
  548   HD21  LEU   8          3HD2      LEU   8  16.467  13.223  13.224
  549   HD22  LEU   8          1HD2      LEU   8  18.066  13.965  13.295
  550   HD23  LEU   8          2HD2      LEU   8  17.887  12.230  13.553
  551    H    ASN   9           H        ASN   9  17.447   8.703   9.817
  552    HA   ASN   9           HA       ASN   9  16.308   6.924   9.000
  553    HB2  ASN   9           2HB      ASN   9  17.353   6.247  11.323
  554    HB3  ASN   9           1HB      ASN   9  15.664   6.095  11.798
  555   HD21  ASN   9          1HD2      ASN   9  15.842   3.868  12.055
  556   HD22  ASN   9          2HD2      ASN   9  15.980   2.785  10.707
  557    H    GLY  10           H        GLY  10  14.667   8.848   8.590
  558    HA2  GLY  10           2HA      GLY  10  12.089   7.649   8.910
  559    HA3  GLY  10           1HA      GLY  10  12.264   9.121   9.856
  560    H    ILE  11           H        ILE  11  11.546   7.814   6.844
  561    HA   ILE  11           HA       ILE  11  11.856  10.419   5.495
  562    HB   ILE  11           HB       ILE  11  11.548   7.713   4.180
  563   HG12  ILE  11          2HG1      ILE  11  13.657   7.754   5.395
  564   HG13  ILE  11          1HG1      ILE  11  13.958   7.859   3.664
  565   HG21  ILE  11          1HG2      ILE  11  12.326   8.875   2.162
  566   HG22  ILE  11          2HG2      ILE  11  12.350  10.393   3.059
  567   HG23  ILE  11          3HG2      ILE  11  10.821   9.557   2.782
  568   HD11  ILE  11          3HD1      ILE  11  14.047  10.127   5.639
  569   HD12  ILE  11          1HD1      ILE  11  14.239  10.296   3.894
  570   HD13  ILE  11          2HD1      ILE  11  15.417   9.371   4.825
  571    H    LYS  12           H        LYS  12  10.103  11.116   4.132
  572    HA   LYS  12           HA       LYS  12   7.534  10.287   5.264
  573    HB2  LYS  12           2HB      LYS  12   7.916  12.607   5.570
  574    HB3  LYS  12           1HB      LYS  12   8.476  12.811   3.920
  575    HG2  LYS  12           2HG      LYS  12   6.306  13.779   4.107
  576    HG3  LYS  12           1HG      LYS  12   6.179  12.317   3.130
  577    HD2  LYS  12           2HD      LYS  12   5.452  11.108   5.209
  578    HD3  LYS  12           1HD      LYS  12   5.381  12.677   6.015
  579    HE2  LYS  12           2HE      LYS  12   3.785  11.796   3.610
  580    HE3  LYS  12           1HE      LYS  12   3.175  12.071   5.241
  581    HZ1  LYS  12           3HZ      LYS  12   2.695  13.931   3.762
  582    HZ2  LYS  12           1HZ      LYS  12   4.349  14.154   3.473
  583    HZ3  LYS  12           2HZ      LYS  12   3.714  14.410   5.026
  584    H    LEU  13           H        LEU  13   6.202   9.131   4.140
  585    HA   LEU  13           HA       LEU  13   6.212   9.313   1.216
  586    HB2  LEU  13           2HB      LEU  13   5.747   6.865   1.149
  587    HB3  LEU  13           1HB      LEU  13   7.356   7.277   1.706
  588    HG   LEU  13           HG       LEU  13   5.201   6.765   3.720
  589   HD11  LEU  13          1HD1      LEU  13   6.824   4.639   2.327
  590   HD12  LEU  13          2HD1      LEU  13   5.081   4.871   2.186
  591   HD13  LEU  13          3HD1      LEU  13   5.787   4.395   3.730
  592   HD21  LEU  13          3HD2      LEU  13   7.110   5.992   5.046
  593   HD22  LEU  13          1HD2      LEU  13   7.352   7.647   4.477
  594   HD23  LEU  13          2HD2      LEU  13   8.186   6.308   3.685
  595    H    GLY  14           H        GLY  14   4.263   9.591   0.343
  596    HA2  GLY  14           2HA      GLY  14   1.945   9.339   2.128
  597    HA3  GLY  14           1HA      GLY  14   2.012  10.335   0.681
  598    H    VAL  15           H        VAL  15   0.705   7.605   1.901
  599    HA   VAL  15           HA       VAL  15   0.673   6.233  -0.702
  600    HB   VAL  15           HB       VAL  15  -0.211   5.163   2.003
  601   HG11  VAL  15          1HG1      VAL  15  -0.239   2.982   0.896
  602   HG12  VAL  15          2HG1      VAL  15   0.133   3.763  -0.642
  603   HG13  VAL  15          3HG1      VAL  15  -1.395   4.101   0.171
  604   HG21  VAL  15          3HG2      VAL  15   2.300   4.593   0.440
  605   HG22  VAL  15          1HG2      VAL  15   1.814   3.818   1.949
  606   HG23  VAL  15          2HG2      VAL  15   2.196   5.539   1.926
  607    H    TYR  16           H        TYR  16  -1.369   5.620  -1.607
  608    HA   TYR  16           HA       TYR  16  -3.678   7.065  -0.485
  609    HB2  TYR  16           2HB      TYR  16  -2.571   7.146  -3.246
  610    HB3  TYR  16           1HB      TYR  16  -4.324   7.157  -3.060
  611    HD1  TYR  16           1HD      TYR  16  -5.272   8.873  -1.379
  612    HD2  TYR  16           2HD      TYR  16  -1.412   9.170  -3.131
  613    HE1  TYR  16           1HE      TYR  16  -5.251  11.267  -0.885
  614    HE2  TYR  16           2HE      TYR  16  -1.376  11.579  -2.648
  615    HH   TYR  16           HH       TYR  16  -2.995  13.409  -2.257
  616    H    ILE  17           H        ILE  17  -5.156   5.656   0.114
  617    HA   ILE  17           HA       ILE  17  -5.659   3.363  -1.649
  618    HB   ILE  17           HB       ILE  17  -5.889   1.828   0.199
  619   HG12  ILE  17          2HG1      ILE  17  -4.978   4.108   1.971
  620   HG13  ILE  17          1HG1      ILE  17  -6.590   3.394   1.954
  621   HG21  ILE  17          1HG2      ILE  17  -3.256   3.290   0.250
  622   HG22  ILE  17          2HG2      ILE  17  -3.720   1.996  -0.854
  623   HG23  ILE  17          3HG2      ILE  17  -3.532   1.661   0.868
  624   HD11  ILE  17          3HD1      ILE  17  -5.391   2.512   3.818
  625   HD12  ILE  17          1HD1      ILE  17  -4.024   2.073   2.791
  626   HD13  ILE  17          2HD1      ILE  17  -5.562   1.228   2.615
  627    HA   PRO  18           HA       PRO  18  -9.902   4.251  -1.491
  628    HB2  PRO  18           2HB      PRO  18 -10.447   1.393  -0.896
  629    HB3  PRO  18           1HB      PRO  18 -10.982   2.383  -2.258
  630    HG2  PRO  18           2HG      PRO  18  -9.091   0.548  -2.585
  631    HG3  PRO  18           1HG      PRO  18  -8.985   2.119  -3.404
  632    HD2  PRO  18           2HD      PRO  18  -7.557   1.162  -0.949
  633    HD3  PRO  18           1HD      PRO  18  -6.931   2.106  -2.319
  634    H    GLN  19           H        GLN  19 -11.788   4.387  -0.245
  635    HA   GLN  19           HA       GLN  19 -11.330   4.624   2.554
  636    HB2  GLN  19           2HB      GLN  19 -13.571   5.461   2.689
  637    HB3  GLN  19           1HB      GLN  19 -12.861   6.094   1.212
  638    HG2  GLN  19           2HG      GLN  19 -14.666   5.369   0.154
  639    HG3  GLN  19           1HG      GLN  19 -14.051   3.731   0.413
  640   HE21  GLN  19          1HE2      GLN  19 -14.450   3.726   3.271
  641   HE22  GLN  19          2HE2      GLN  19 -16.154   3.627   3.535
  642    H    GLU  20           H        GLU  20 -12.650   2.176   0.490
  643    HA   GLU  20           HA       GLU  20 -14.006   0.501   2.178
  644    HB2  GLU  20           2HB      GLU  20 -11.856  -0.488   0.303
  645    HB3  GLU  20           1HB      GLU  20 -13.327  -1.322   0.784
  646    HG2  GLU  20           2HG      GLU  20 -13.187   1.160  -0.908
  647    HG3  GLU  20           1HG      GLU  20 -13.461  -0.479  -1.497
  648    H    TRP  21           H        TRP  21 -10.500   0.819   1.836
  649    HA   TRP  21           HA       TRP  21  -9.907  -1.052   3.910
  650    HB2  TRP  21           2HB      TRP  21  -8.254   0.954   2.387
  651    HB3  TRP  21           1HB      TRP  21  -7.581  -0.018   3.694
  652    HD1  TRP  21           HD       TRP  21  -9.935  -2.203   2.021
  653    HE1  TRP  21           1HE      TRP  21  -8.735  -3.746   0.324
  654    HE3  TRP  21           3HE      TRP  21  -5.506   0.267   1.736
  655    HZ2  TRP  21           2HZ      TRP  21  -6.204  -3.855  -0.963
  656    HZ3  TRP  21           3HZ      TRP  21  -3.748  -0.598   0.271
  657    HH2  TRP  21           HH       TRP  21  -4.082  -2.604  -1.046
  658    H    HIS  22           H        HIS  22 -10.244   2.442   3.675
  659    HA   HIS  22           HA       HIS  22  -9.210   3.066   6.213
  660    HB2  HIS  22           2HB      HIS  22 -11.161   4.436   4.400
  661    HB3  HIS  22           1HB      HIS  22 -10.895   5.051   6.031
  662    HD1  HIS  22           1HD      HIS  22  -8.982   6.595   6.322
  663    HD2  HIS  22           2HD      HIS  22  -8.658   4.343   2.836
  664    HE1  HIS  22           1HE      HIS  22  -6.949   7.473   5.130
  665    HE2  HIS  22           2HE      HIS  22  -6.861   6.197   2.957
  666    H    ASP  23           H        ASP  23 -12.428   2.042   5.197
  667    HA   ASP  23           HA       ASP  23 -13.740   2.290   7.657
  668    HB2  ASP  23           2HB      ASP  23 -14.916   1.832   5.550
  669    HB3  ASP  23           1HB      ASP  23 -14.176   0.237   5.471
  670    H    ARG  24           H        ARG  24 -12.259  -0.632   6.227
  671    HA   ARG  24           HA       ARG  24 -12.836  -2.191   8.553
  672    HB2  ARG  24           2HB      ARG  24 -10.798  -2.959   6.483
  673    HB3  ARG  24           1HB      ARG  24 -11.844  -4.003   7.427
  674    HG2  ARG  24           2HG      ARG  24 -12.694  -2.208   5.171
  675    HG3  ARG  24           1HG      ARG  24 -12.514  -3.959   5.106
  676    HD2  ARG  24           2HD      ARG  24 -14.253  -4.064   6.946
  677    HD3  ARG  24           1HD      ARG  24 -14.540  -2.353   6.627
  678    HE   ARG  24           HE       ARG  24 -14.734  -4.340   4.468
  679   HH11  ARG  24          1HH1      ARG  24 -16.313  -1.849   6.417
  680   HH12  ARG  24          2HH1      ARG  24 -17.680  -1.745   5.352
  681   HH21  ARG  24          1HH2      ARG  24 -16.510  -4.168   3.102
  682   HH22  ARG  24          2HH2      ARG  24 -17.805  -3.077   3.493
  683    H    LEU  25           H        LEU  25  -9.844  -0.912   7.143
  684    HA   LEU  25           HA       LEU  25  -8.136  -2.134   9.022
  685    HB2  LEU  25           2HB      LEU  25  -7.769   0.059   7.014
  686    HB3  LEU  25           1HB      LEU  25  -6.493  -0.328   8.149
  687    HG   LEU  25           HG       LEU  25  -6.149  -1.408   5.966
  688   HD11  LEU  25          1HD1      LEU  25  -6.775  -3.380   8.158
  689   HD12  LEU  25          2HD1      LEU  25  -5.284  -2.451   8.007
  690   HD13  LEU  25          3HD1      LEU  25  -5.704  -3.648   6.782
  691   HD21  LEU  25          3HD2      LEU  25  -8.478  -1.714   5.301
  692   HD22  LEU  25          1HD2      LEU  25  -8.688  -2.918   6.573
  693   HD23  LEU  25          2HD2      LEU  25  -7.585  -3.235   5.233
  694    H    MET  26           H        MET  26  -9.466   1.180   8.829
  695    HA   MET  26           HA       MET  26  -7.994   2.079  11.071
  696    HB2  MET  26           2HB      MET  26 -10.471   3.187   9.772
  697    HB3  MET  26           1HB      MET  26  -9.651   3.970  11.118
  698    HG2  MET  26           2HG      MET  26  -8.398   3.333   8.455
  699    HG3  MET  26           1HG      MET  26  -9.030   4.907   8.934
  700    HE1  MET  26           3HE      MET  26  -6.610   5.826  11.911
  701    HE2  MET  26           1HE      MET  26  -8.128   4.939  12.050
  702    HE3  MET  26           2HE      MET  26  -8.015   6.333  10.974
  703    H    GLU  27           H        GLU  27 -11.119   0.460  10.800
  704    HA   GLU  27           HA       GLU  27 -11.895   0.948  13.480
  705    HB2  GLU  27           2HB      GLU  27 -13.211  -0.112  11.455
  706    HB3  GLU  27           1HB      GLU  27 -12.607  -1.621  12.129
  707    HG2  GLU  27           2HG      GLU  27 -14.814  -1.165  12.979
  708    HG3  GLU  27           1HG      GLU  27 -13.634  -1.049  14.286
  709    H    ILE  28           H        ILE  28  -9.976  -1.588  11.957
  710    HA   ILE  28           HA       ILE  28  -9.409  -3.050  14.327
  711    HB   ILE  28           HB       ILE  28  -7.728  -2.780  11.820
  712   HG12  ILE  28          2HG1      ILE  28  -9.749  -4.902  12.579
  713   HG13  ILE  28          1HG1      ILE  28 -10.030  -3.612  11.414
  714   HG21  ILE  28          1HG2      ILE  28  -6.446  -3.635  13.710
  715   HG22  ILE  28          2HG2      ILE  28  -6.715  -4.899  12.510
  716   HG23  ILE  28          3HG2      ILE  28  -7.672  -4.874  13.992
  717   HD11  ILE  28          3HD1      ILE  28  -8.236  -4.510  10.008
  718   HD12  ILE  28          1HD1      ILE  28  -9.515  -5.690  10.290
  719   HD13  ILE  28          2HD1      ILE  28  -7.992  -5.815  11.171
  720    H    ALA  29           H        ALA  29  -8.029  -0.277  12.737
  721    HA   ALA  29           HA       ALA  29  -5.705   0.037  14.295
  722    HB1  ALA  29           1HB      ALA  29  -7.301   2.133  12.831
  723    HB2  ALA  29           2HB      ALA  29  -6.032   1.127  12.133
  724    HB3  ALA  29           3HB      ALA  29  -5.637   2.295  13.394
  725    H    LYS  30           H        LYS  30  -9.023   0.631  15.039
  726    HA   LYS  30           HA       LYS  30  -8.500   2.456  17.210
  727    HB2  LYS  30           2HB      LYS  30 -10.889   0.635  17.102
  728    HB3  LYS  30           1HB      LYS  30 -10.773   2.246  17.789
  729    HG2  LYS  30           2HG      LYS  30 -10.641   1.679  14.845
  730    HG3  LYS  30           1HG      LYS  30 -12.130   2.044  15.710
  731    HD2  LYS  30           2HD      LYS  30 -11.132   4.200  16.419
  732    HD3  LYS  30           1HD      LYS  30  -9.723   3.832  15.417
  733    HE2  LYS  30           2HE      LYS  30 -11.328   5.294  14.262
  734    HE3  LYS  30           1HE      LYS  30 -11.119   3.750  13.435
  735    HZ1  LYS  30           3HZ      LYS  30 -13.442   4.333  13.536
  736    HZ2  LYS  30           1HZ      LYS  30 -13.370   4.497  15.223
  737    HZ3  LYS  30           2HZ      LYS  30 -13.166   2.970  14.509
  738    H    GLU  31           H        GLU  31  -9.322  -0.944  16.866
  739    HA   GLU  31           HA       GLU  31  -9.128  -1.690  19.556
  740    HB2  GLU  31           2HB      GLU  31 -10.151  -3.052  17.742
  741    HB3  GLU  31           1HB      GLU  31  -8.539  -3.392  17.129
  742    HG2  GLU  31           2HG      GLU  31  -7.988  -4.468  19.276
  743    HG3  GLU  31           1HG      GLU  31  -9.651  -4.200  19.804
  744    H    LYS  32           H        LYS  32  -6.681  -1.468  17.031
  745    HA   LYS  32           HA       LYS  32  -4.630  -2.575  18.780
  746    HB2  LYS  32           2HB      LYS  32  -4.907  -2.035  15.890
  747    HB3  LYS  32           1HB      LYS  32  -3.290  -1.828  16.543
  748    HG2  LYS  32           2HG      LYS  32  -3.701  -4.066  15.590
  749    HG3  LYS  32           1HG      LYS  32  -3.232  -4.104  17.286
  750    HD2  LYS  32           2HD      LYS  32  -5.480  -4.548  17.970
  751    HD3  LYS  32           1HD      LYS  32  -6.092  -4.252  16.342
  752    HE2  LYS  32           2HE      LYS  32  -5.132  -6.225  15.502
  753    HE3  LYS  32           1HE      LYS  32  -4.080  -6.409  16.903
  754    HZ1  LYS  32           3HZ      LYS  32  -5.867  -7.086  18.234
  755    HZ2  LYS  32           1HZ      LYS  32  -6.072  -7.932  16.780
  756    HZ3  LYS  32           2HZ      LYS  32  -7.037  -6.577  17.119
  757    H    ASN  33           H        ASN  33  -5.900   0.439  17.998
  758    HA   ASN  33           HA       ASN  33  -5.352   2.590  18.403
  759    HB2  ASN  33           2HB      ASN  33  -4.900   1.564  20.693
  760    HB3  ASN  33           1HB      ASN  33  -3.195   1.577  20.259
  761   HD21  ASN  33          1HD2      ASN  33  -6.014   3.576  20.815
  762   HD22  ASN  33          2HD2      ASN  33  -5.150   5.034  21.177
  763    H    LEU  34           H        LEU  34  -4.493   1.929  16.115
  764    HA   LEU  34           HA       LEU  34  -1.780   3.016  15.835
  765    HB2  LEU  34           2HB      LEU  34  -2.876   0.572  14.428
  766    HB3  LEU  34           1HB      LEU  34  -1.376   1.374  13.998
  767    HG   LEU  34           HG       LEU  34  -1.924   0.043  16.652
  768   HD11  LEU  34          1HD1      LEU  34  -1.786  -1.600  14.870
  769   HD12  LEU  34          2HD1      LEU  34  -0.333  -1.659  15.869
  770   HD13  LEU  34          3HD1      LEU  34  -0.286  -0.874  14.291
  771   HD21  LEU  34          3HD2      LEU  34   0.467   0.352  17.034
  772   HD22  LEU  34          1HD2      LEU  34  -0.349   1.900  16.813
  773   HD23  LEU  34          2HD2      LEU  34   0.605   1.211  15.499
  774    H    THR  35           H        THR  35  -1.397   3.733  13.509
  775    HA   THR  35           HA       THR  35  -3.934   4.613  12.295
  776    HB   THR  35           HB       THR  35  -2.633   6.218  10.995
  777    HG1  THR  35           1HG      THR  35  -0.378   5.063  12.330
  778   HG21  THR  35          3HG2      THR  35  -3.381   6.941  13.198
  779   HG22  THR  35          1HG2      THR  35  -1.827   7.672  12.801
  780   HG23  THR  35          2HG2      THR  35  -1.901   6.312  13.922
  781    H    LEU  36           H        LEU  36  -4.174   4.359   9.966
  782    HA   LEU  36           HA       LEU  36  -3.490   1.795   9.060
  783    HB2  LEU  36           2HB      LEU  36  -4.488   2.358   7.001
  784    HB3  LEU  36           1HB      LEU  36  -5.398   3.194   8.244
  785    HG   LEU  36           HG       LEU  36  -3.268   4.539   6.589
  786   HD11  LEU  36          1HD1      LEU  36  -5.089   5.432   5.231
  787   HD12  LEU  36          2HD1      LEU  36  -6.238   4.419   6.107
  788   HD13  LEU  36          3HD1      LEU  36  -4.987   3.676   5.110
  789   HD21  LEU  36          3HD2      LEU  36  -4.426   6.585   7.274
  790   HD22  LEU  36          1HD2      LEU  36  -3.835   5.681   8.669
  791   HD23  LEU  36          2HD2      LEU  36  -5.546   5.629   8.244
  792    H    SER  37           H        SER  37  -1.883   4.858   8.734
  793    HA   SER  37           HA       SER  37   0.037   4.261   6.815
  794    HB2  SER  37           2HB      SER  37   0.491   5.878   9.333
  795    HB3  SER  37           1HB      SER  37   1.301   6.066   7.776
  796    HG   SER  37           HG       SER  37  -0.535   7.547   8.331
  797    H    ASP  38           H        ASP  38  -0.014   3.598  10.298
  798    HA   ASP  38           HA       ASP  38   2.525   2.356  10.467
  799    HB2  ASP  38           2HB      ASP  38   0.040   1.933  12.154
  800    HB3  ASP  38           1HB      ASP  38   1.623   1.273  12.537
  801    H    VAL  39           H        VAL  39  -0.740   1.125   9.945
  802    HA   VAL  39           HA       VAL  39  -0.100  -1.615  10.047
  803    HB   VAL  39           HB       VAL  39  -2.403  -0.326   8.571
  804   HG11  VAL  39          1HG1      VAL  39  -2.093  -3.114   9.687
  805   HG12  VAL  39          2HG1      VAL  39  -2.047  -2.674   7.978
  806   HG13  VAL  39          3HG1      VAL  39  -3.534  -2.464   8.903
  807   HG21  VAL  39          3HG2      VAL  39  -2.255  -1.280  11.432
  808   HG22  VAL  39          1HG2      VAL  39  -3.691  -0.656  10.621
  809   HG23  VAL  39          2HG2      VAL  39  -2.310   0.403  10.911
  810    H    CYS  40           H        CYS  40  -0.225   0.675   7.352
  811    HA   CYS  40           HA       CYS  40   0.046  -1.212   5.272
  812    HB2  CYS  40           2HB      CYS  40  -0.486   1.414   5.310
  813    HB3  CYS  40           1HB      CYS  40   1.228   1.519   4.960
  814    HG   CYS  40           HG       CYS  40   0.286  -0.635   2.864
  815    H    ARG  41           H        ARG  41   2.485   0.894   6.763
  816    HA   ARG  41           HA       ARG  41   4.824  -0.182   5.869
  817    HB2  ARG  41           2HB      ARG  41   4.692   1.836   7.184
  818    HB3  ARG  41           1HB      ARG  41   4.067   0.957   8.563
  819    HG2  ARG  41           2HG      ARG  41   6.778   0.293   7.527
  820    HG3  ARG  41           1HG      ARG  41   6.547   1.758   8.480
  821    HD2  ARG  41           2HD      ARG  41   5.352   0.205  10.155
  822    HD3  ARG  41           1HD      ARG  41   6.161  -1.103   9.290
  823    HE   ARG  41           HE       ARG  41   7.663   1.150  10.468
  824   HH11  ARG  41          1HH1      ARG  41   7.131  -2.282  10.054
  825   HH12  ARG  41          2HH1      ARG  41   8.519  -2.753  10.989
  826   HH21  ARG  41          1HH2      ARG  41   9.482   0.562  11.714
  827   HH22  ARG  41          2HH2      ARG  41   9.857  -1.122  11.950
  828    H    LEU  42           H        LEU  42   2.974  -1.268   8.732
  829    HA   LEU  42           HA       LEU  42   4.824  -3.260   9.504
  830    HB2  LEU  42           2HB      LEU  42   1.856  -3.076  10.040
  831    HB3  LEU  42           1HB      LEU  42   2.945  -4.195  10.837
  832    HG   LEU  42           HG       LEU  42   3.106  -1.185  11.017
  833   HD11  LEU  42          1HD1      LEU  42   2.353  -1.519  13.334
  834   HD12  LEU  42          2HD1      LEU  42   2.112  -3.234  12.994
  835   HD13  LEU  42          3HD1      LEU  42   1.141  -2.023  12.156
  836   HD21  LEU  42          3HD2      LEU  42   5.284  -2.269  11.241
  837   HD22  LEU  42          1HD2      LEU  42   4.632  -3.339  12.483
  838   HD23  LEU  42          2HD2      LEU  42   4.743  -1.604  12.783
  839    H    ALA  43           H        ALA  43   2.157  -3.226   7.271
  840    HA   ALA  43           HA       ALA  43   2.045  -6.044   6.908
  841    HB1  ALA  43           1HB      ALA  43   0.145  -4.584   6.432
  842    HB2  ALA  43           2HB      ALA  43   0.596  -5.562   5.036
  843    HB3  ALA  43           3HB      ALA  43   1.046  -3.857   5.102
  844    H    ILE  44           H        ILE  44   4.033  -3.505   5.582
  845    HA   ILE  44           HA       ILE  44   4.916  -4.950   3.292
  846    HB   ILE  44           HB       ILE  44   6.353  -2.791   4.840
  847   HG12  ILE  44          2HG1      ILE  44   4.713  -2.711   2.302
  848   HG13  ILE  44          1HG1      ILE  44   4.316  -1.953   3.843
  849   HG21  ILE  44          1HG2      ILE  44   6.995  -3.967   2.140
  850   HG22  ILE  44          2HG2      ILE  44   7.940  -4.163   3.616
  851   HG23  ILE  44          3HG2      ILE  44   7.794  -2.573   2.869
  852   HD11  ILE  44          3HD1      ILE  44   6.222  -0.458   3.617
  853   HD12  ILE  44          1HD1      ILE  44   5.139  -0.319   2.233
  854   HD13  ILE  44          2HD1      ILE  44   6.651  -1.221   2.086
  855    H    LYS  45           H        LYS  45   6.134  -4.593   6.601
  856    HA   LYS  45           HA       LYS  45   8.349  -6.275   6.324
  857    HB2  LYS  45           2HB      LYS  45   7.811  -4.771   8.288
  858    HB3  LYS  45           1HB      LYS  45   6.695  -6.016   8.833
  859    HG2  LYS  45           2HG      LYS  45   8.843  -6.161   9.981
  860    HG3  LYS  45           1HG      LYS  45   8.522  -7.606   9.021
  861    HD2  LYS  45           2HD      LYS  45   9.984  -6.792   7.255
  862    HD3  LYS  45           1HD      LYS  45  10.267  -5.299   8.154
  863    HE2  LYS  45           2HE      LYS  45  11.352  -6.538   9.931
  864    HE3  LYS  45           1HE      LYS  45  10.986  -8.064   9.127
  865    HZ1  LYS  45           3HZ      LYS  45  13.293  -7.247   8.795
  866    HZ2  LYS  45           1HZ      LYS  45  12.672  -5.932   7.929
  867    HZ3  LYS  45           2HZ      LYS  45  12.450  -7.507   7.355
  868    H    GLU  46           H        GLU  46   4.968  -6.964   6.870
  869    HA   GLU  46           HA       GLU  46   5.231  -9.765   7.327
  870    HB2  GLU  46           2HB      GLU  46   3.228  -8.440   7.960
  871    HB3  GLU  46           1HB      GLU  46   2.885  -8.160   6.262
  872    HG2  GLU  46           2HG      GLU  46   1.428  -9.865   6.908
  873    HG3  GLU  46           1HG      GLU  46   2.723 -10.683   6.034
  874    H    TYR  47           H        TYR  47   4.588  -7.722   4.535
  875    HA   TYR  47           HA       TYR  47   4.101  -9.702   2.639
  876    HB2  TYR  47           2HB      TYR  47   3.615  -7.278   2.368
  877    HB3  TYR  47           1HB      TYR  47   5.339  -6.975   2.205
  878    HD1  TYR  47           2HD      TYR  47   2.387  -8.483   0.599
  879    HD2  TYR  47           1HD      TYR  47   6.478  -7.401   0.143
  880    HE1  TYR  47           2HE      TYR  47   2.202  -8.828  -1.825
  881    HE2  TYR  47           1HE      TYR  47   6.301  -7.736  -2.286
  882    HH   TYR  47           HH       TYR  47   4.962  -8.889  -3.894
  883    H    LEU  48           H        LEU  48   7.090  -8.151   3.678
  884    HA   LEU  48           HA       LEU  48   8.786  -9.373   1.784
  885    HB2  LEU  48           2HB      LEU  48   9.442  -8.369   4.556
  886    HB3  LEU  48           1HB      LEU  48  10.616  -8.758   3.313
  887    HG   LEU  48           HG       LEU  48   8.573  -6.539   3.178
  888   HD11  LEU  48          1HD1      LEU  48  10.351  -6.068   4.757
  889   HD12  LEU  48          2HD1      LEU  48  10.525  -5.068   3.315
  890   HD13  LEU  48          3HD1      LEU  48  11.563  -6.476   3.543
  891   HD21  LEU  48          3HD2      LEU  48   9.710  -5.868   1.133
  892   HD22  LEU  48          1HD2      LEU  48   9.047  -7.495   0.974
  893   HD23  LEU  48          2HD2      LEU  48  10.775  -7.270   1.249
  894    H    ASP  49           H        ASP  49   7.969 -10.233   5.121
  895    HA   ASP  49           HA       ASP  49   9.795 -12.350   5.343
  896    HB2  ASP  49           2HB      ASP  49   8.834 -11.255   7.285
  897    HB3  ASP  49           1HB      ASP  49   7.237 -11.872   6.870
  898    H    ASN  50           H        ASN  50   6.455 -12.343   4.188
  899    HA   ASN  50           HA       ASN  50   6.264 -15.206   4.223
  900    HB2  ASN  50           2HB      ASN  50   4.527 -13.059   3.018
  901    HB3  ASN  50           1HB      ASN  50   4.182 -14.775   2.816
  902   HD21  ASN  50          1HD2      ASN  50   4.365 -12.139   5.070
  903   HD22  ASN  50          2HD2      ASN  50   3.516 -12.918   6.359
  904    H    HIS  51           H        HIS  51   7.437 -12.877   1.956
  905    HA   HIS  51           HA       HIS  51   7.402 -14.858  -0.196
  906    HB2  HIS  51           2HB      HIS  51   8.086 -11.915  -0.175
  907    HB3  HIS  51           1HB      HIS  51   8.344 -12.945  -1.578
  908    HD1  HIS  51           1HD      HIS  51   6.352 -13.412  -3.061
  909    HD2  HIS  51           2HD      HIS  51   5.302 -11.568   0.516
  910    HE1  HIS  51           1HE      HIS  51   3.936 -12.769  -3.310
  911    HE2  HIS  51           2HE      HIS  51   3.265 -11.894  -1.041
  912    H    ASP  52           H        ASP  52   9.705 -12.804   1.558
  913    HA   ASP  52           HA       ASP  52  11.886 -14.555   0.631
  914    HB2  ASP  52           2HB      ASP  52  12.220 -12.273  -0.086
  915    HB3  ASP  52           1HB      ASP  52  11.922 -11.671   1.542
  916    H    LYS  53           H        LYS  53  13.211 -15.546   2.122
  917    HA   LYS  53           HA       LYS  53  12.353 -15.222   4.919
  918    HB2  LYS  53           2HB      LYS  53  13.522 -17.643   3.551
  919    HB3  LYS  53           1HB      LYS  53  13.179 -17.535   5.270
  920    HG2  LYS  53           2HG      LYS  53  11.205 -17.475   3.002
  921    HG3  LYS  53           1HG      LYS  53  11.405 -18.733   4.221
  922    HD2  LYS  53           2HD      LYS  53  10.403 -15.920   4.660
  923    HD3  LYS  53           1HD      LYS  53   9.462 -17.405   4.750
  924    HE2  LYS  53           2HE      LYS  53  10.783 -18.138   6.665
  925    HE3  LYS  53           1HE      LYS  53  11.752 -16.671   6.569
  926    HZ1  LYS  53           3HZ      LYS  53   9.769 -15.365   7.041
  927    HZ2  LYS  53           1HZ      LYS  53  10.044 -16.499   8.267
  928    HZ3  LYS  53           2HZ      LYS  53   8.833 -16.775   7.120
  929    H    GLN  54           H        GLN  54  14.509 -13.782   3.358
  930    HA   GLN  54           HA       GLN  54  16.862 -14.462   4.927
  931    HB2  GLN  54           2HB      GLN  54  16.320 -12.152   3.045
  932    HB3  GLN  54           1HB      GLN  54  17.851 -12.438   3.857
  933    HG2  GLN  54           2HG      GLN  54  18.166 -14.493   2.656
  934    HG3  GLN  54           1HG      GLN  54  16.561 -14.359   1.937
  935   HE21  GLN  54          1HE2      GLN  54  16.194 -12.867   0.307
  936   HE22  GLN  54          2HE2      GLN  54  17.496 -12.091  -0.541
  937    H    LYS  55           H        LYS  55  14.126 -12.438   4.977
  938    HA   LYS  55           HA       LYS  55  13.180 -11.099   6.523
  939    HB2  LYS  55           2HB      LYS  55  15.168 -12.349   8.425
  940    HB3  LYS  55           1HB      LYS  55  13.694 -11.501   8.870
  941    HG2  LYS  55           2HG      LYS  55  12.368 -13.233   7.747
  942    HG3  LYS  55           1HG      LYS  55  13.857 -14.089   7.337
  943    HD2  LYS  55           2HD      LYS  55  13.005 -15.143   9.274
  944    HD3  LYS  55           1HD      LYS  55  14.355 -14.144   9.815
  945    HE2  LYS  55           2HE      LYS  55  12.633 -13.788  11.384
  946    HE3  LYS  55           1HE      LYS  55  12.626 -12.361  10.348
  947    HZ1  LYS  55           3HZ      LYS  55  10.749 -14.660  10.249
  948    HZ2  LYS  55           1HZ      LYS  55  10.803 -13.446   9.065
  949    HZ3  LYS  55           2HZ      LYS  55  10.387 -13.058  10.661
  950    H    LYS  56           H        LYS  56  15.236  -9.995   4.955
  951    HA   LYS  56           HA       LYS  56  16.789  -8.285   6.723
  952    HB2  LYS  56           2HB      LYS  56  16.720  -8.492   3.705
  953    HB3  LYS  56           1HB      LYS  56  17.805  -7.452   4.616
  954    HG2  LYS  56           2HG      LYS  56  18.941  -9.332   5.550
  955    HG3  LYS  56           1HG      LYS  56  17.747 -10.450   4.886
  956    HD2  LYS  56           2HD      LYS  56  18.431  -9.910   2.631
  957    HD3  LYS  56           1HD      LYS  56  19.531  -8.667   3.229
  958    HE2  LYS  56           2HE      LYS  56  20.906 -10.328   4.297
  959    HE3  LYS  56           1HE      LYS  56  19.757 -11.601   3.893
  960    HZ1  LYS  56           3HZ      LYS  56  21.752 -11.464   2.422
  961    HZ2  LYS  56           1HZ      LYS  56  21.169  -9.977   1.848
  962    HZ3  LYS  56           2HZ      LYS  56  20.267 -11.395   1.608
  Start of MODEL    2
    1    H1   GLY   2           1HT      GLY   2 -18.738   5.986 -16.977
    2    H2   GLY   2           2HT      GLY   2 -20.423   5.810 -17.079
    3    H3   GLY   2           3HT      GLY   2 -19.536   4.866 -15.984
    4    HA2  GLY   2           1HA      GLY   2 -19.813   7.818 -15.860
    5    HA3  GLY   2           2HA      GLY   2 -20.704   6.676 -14.861
    6    H    ARG   3           H        ARG   3 -19.402   8.390 -13.403
    7    HA   ARG   3           HA       ARG   3 -16.815   7.156 -12.721
    8    HB2  ARG   3           2HB      ARG   3 -17.903   9.893 -12.037
    9    HB3  ARG   3           1HB      ARG   3 -16.349   9.267 -11.505
   10    HG2  ARG   3           2HG      ARG   3 -15.548   9.180 -13.775
   11    HG3  ARG   3           1HG      ARG   3 -17.135   9.652 -14.388
   12    HD2  ARG   3           2HD      ARG   3 -15.656  11.567 -14.382
   13    HD3  ARG   3           1HD      ARG   3 -16.935  11.787 -13.191
   14    HE   ARG   3           HE       ARG   3 -14.312  10.775 -12.339
   15   HH11  ARG   3          1HH1      ARG   3 -16.729  13.341 -12.249
   16   HH12  ARG   3          2HH1      ARG   3 -15.971  14.152 -10.911
   17   HH21  ARG   3          1HH2      ARG   3 -13.337  11.848 -10.596
   18   HH22  ARG   3          2HH2      ARG   3 -14.072  13.286  -9.952
   19    HA   PRO   4           HA       PRO   4 -19.268   5.836  -9.148
   20    HB2  PRO   4           2HB      PRO   4 -17.940   3.546  -8.692
   21    HB3  PRO   4           1HB      PRO   4 -19.136   3.689  -9.983
   22    HG2  PRO   4           2HG      PRO   4 -16.163   3.695 -10.143
   23    HG3  PRO   4           1HG      PRO   4 -17.350   3.018 -11.271
   24    HD2  PRO   4           2HD      PRO   4 -16.030   5.457 -11.565
   25    HD3  PRO   4           1HD      PRO   4 -17.500   4.967 -12.426
   26    H    TYR   5           H        TYR   5 -18.896   6.547  -7.154
   27    HA   TYR   5           HA       TYR   5 -16.283   7.508  -6.422
   28    HB2  TYR   5           2HB      TYR   5 -17.350   8.504  -4.545
   29    HB3  TYR   5           1HB      TYR   5 -18.491   8.634  -5.878
   30    HD1  TYR   5           2HD      TYR   5 -20.337   6.806  -6.013
   31    HD2  TYR   5           1HD      TYR   5 -18.026   7.569  -2.518
   32    HE1  TYR   5           2HE      TYR   5 -22.043   5.687  -4.648
   33    HE2  TYR   5           1HE      TYR   5 -19.732   6.451  -1.145
   34    HH   TYR   5           HH       TYR   5 -22.137   4.501  -2.436
   35    H    LYS   6           H        LYS   6 -17.702   4.540  -6.246
   36    HA   LYS   6           HA       LYS   6 -16.480   3.744  -3.728
   37    HB2  LYS   6           2HB      LYS   6 -18.708   2.872  -4.328
   38    HB3  LYS   6           1HB      LYS   6 -18.026   2.119  -5.761
   39    HG2  LYS   6           2HG      LYS   6 -18.369   0.492  -3.993
   40    HG3  LYS   6           1HG      LYS   6 -16.653   0.678  -4.362
   41    HD2  LYS   6           2HD      LYS   6 -16.334   2.060  -2.415
   42    HD3  LYS   6           1HD      LYS   6 -18.065   2.064  -2.085
   43    HE2  LYS   6           2HE      LYS   6 -16.824   0.508  -0.632
   44    HE3  LYS   6           1HE      LYS   6 -18.028  -0.305  -1.628
   45    HZ1  LYS   6           3HZ      LYS   6 -15.900  -1.493  -1.534
   46    HZ2  LYS   6           1HZ      LYS   6 -15.122  -0.167  -2.260
   47    HZ3  LYS   6           2HZ      LYS   6 -16.304  -1.036  -3.115
   48    H    LEU   7           H        LEU   7 -15.980   3.434  -7.172
   49    HA   LEU   7           HA       LEU   7 -13.706   1.659  -6.754
   50    HB2  LEU   7           2HB      LEU   7 -14.890   2.722  -9.318
   51    HB3  LEU   7           1HB      LEU   7 -13.605   1.535  -9.200
   52    HG   LEU   7           HG       LEU   7 -16.438   1.144  -8.224
   53   HD11  LEU   7          1HD1      LEU   7 -15.010  -0.047 -10.596
   54   HD12  LEU   7          2HD1      LEU   7 -16.259   1.196 -10.667
   55   HD13  LEU   7          3HD1      LEU   7 -16.653  -0.416 -10.072
   56   HD21  LEU   7          3HD2      LEU   7 -14.099  -0.758  -8.330
   57   HD22  LEU   7          1HD2      LEU   7 -15.758  -1.193  -7.914
   58   HD23  LEU   7          2HD2      LEU   7 -14.846  -0.098  -6.875
   59    H    LEU   8           H        LEU   8 -14.429   4.880  -8.054
   60    HA   LEU   8           HA       LEU   8 -11.569   5.487  -8.105
   61    HB2  LEU   8           2HB      LEU   8 -13.991   6.879  -9.223
   62    HB3  LEU   8           1HB      LEU   8 -12.456   7.711  -9.077
   63    HG   LEU   8           HG       LEU   8 -12.643   6.947 -11.319
   64   HD11  LEU   8          1HD1      LEU   8 -10.814   5.085  -9.819
   65   HD12  LEU   8          2HD1      LEU   8 -10.437   6.734 -10.321
   66   HD13  LEU   8          3HD1      LEU   8 -10.714   5.484 -11.534
   67   HD21  LEU   8          3HD2      LEU   8 -14.359   5.252 -11.027
   68   HD22  LEU   8          1HD2      LEU   8 -13.203   4.197 -10.216
   69   HD23  LEU   8          2HD2      LEU   8 -12.985   4.600 -11.919
   70    H    ASN   9           H        ASN   9 -11.293   5.499  -5.845
   71    HA   ASN   9           HA       ASN   9 -11.937   8.042  -4.621
   72    HB2  ASN   9           2HB      ASN   9 -13.826   6.345  -4.127
   73    HB3  ASN   9           1HB      ASN   9 -12.642   5.517  -3.128
   74   HD21  ASN   9          1HD2      ASN   9 -15.164   6.838  -2.460
   75   HD22  ASN   9          2HD2      ASN   9 -14.773   8.008  -1.245
   76    H    GLY  10           H        GLY  10 -10.409   8.620  -3.112
   77    HA2  GLY  10           2HA      GLY  10  -8.586   6.720  -1.975
   78    HA3  GLY  10           1HA      GLY  10  -7.858   7.672  -3.263
   79    H    ILE  11           H        ILE  11  -7.655   7.513  -0.188
   80    HA   ILE  11           HA       ILE  11  -7.813  10.432   0.267
   81    HB   ILE  11           HB       ILE  11  -7.862   8.381   2.475
   82   HG12  ILE  11          2HG1      ILE  11  -9.800   7.913   1.041
   83   HG13  ILE  11          1HG1      ILE  11 -10.297   8.585   2.590
   84   HG21  ILE  11          1HG2      ILE  11  -7.279  10.646   3.121
   85   HG22  ILE  11          2HG2      ILE  11  -8.860  10.210   3.770
   86   HG23  ILE  11          3HG2      ILE  11  -8.746  11.261   2.357
   87   HD11  ILE  11          3HD1      ILE  11 -10.113  10.083  -0.014
   88   HD12  ILE  11          1HD1      ILE  11 -10.617  10.762   1.532
   89   HD13  ILE  11          2HD1      ILE  11 -11.591   9.511   0.759
   90    H    LYS  12           H        LYS  12  -6.067  11.329   1.569
   91    HA   LYS  12           HA       LYS  12  -3.569   9.880   1.041
   92    HB2  LYS  12           2HB      LYS  12  -4.370  12.719   1.104
   93    HB3  LYS  12           1HB      LYS  12  -2.779  12.375   1.767
   94    HG2  LYS  12           2HG      LYS  12  -3.688  11.509  -0.966
   95    HG3  LYS  12           1HG      LYS  12  -2.787  12.991  -0.638
   96    HD2  LYS  12           2HD      LYS  12  -0.934  11.707   0.250
   97    HD3  LYS  12           1HD      LYS  12  -1.838  10.206   0.047
   98    HE2  LYS  12           2HE      LYS  12  -0.177  10.570  -1.738
   99    HE3  LYS  12           1HE      LYS  12  -1.827  10.484  -2.355
  100    HZ1  LYS  12           3HZ      LYS  12  -0.371  13.021  -1.820
  101    HZ2  LYS  12           1HZ      LYS  12  -1.885  12.852  -2.567
  102    HZ3  LYS  12           2HZ      LYS  12  -0.491  12.286  -3.346
  103    H    LEU  13           H        LEU  13  -2.289   9.180   2.579
  104    HA   LEU  13           HA       LEU  13  -2.681  10.139   5.328
  105    HB2  LEU  13           2HB      LEU  13  -2.120   7.731   6.010
  106    HB3  LEU  13           1HB      LEU  13  -3.741   8.067   5.436
  107    HG   LEU  13           HG       LEU  13  -1.699   7.055   3.490
  108   HD11  LEU  13          1HD1      LEU  13  -1.489   5.555   5.399
  109   HD12  LEU  13          2HD1      LEU  13  -2.309   4.750   4.061
  110   HD13  LEU  13          3HD1      LEU  13  -3.240   5.340   5.439
  111   HD21  LEU  13          3HD2      LEU  13  -4.683   6.679   3.793
  112   HD22  LEU  13          1HD2      LEU  13  -3.693   6.020   2.491
  113   HD23  LEU  13          2HD2      LEU  13  -3.882   7.767   2.657
  114    H    GLY  14           H        GLY  14  -0.856  10.304   6.583
  115    HA2  GLY  14           2HA      GLY  14   1.654  10.184   5.057
  116    HA3  GLY  14           1HA      GLY  14   1.351  11.201   6.458
  117    H    VAL  15           H        VAL  15   3.084   8.695   5.474
  118    HA   VAL  15           HA       VAL  15   2.927   7.229   8.030
  119    HB   VAL  15           HB       VAL  15   4.173   6.191   5.481
  120   HG11  VAL  15          1HG1      VAL  15   3.126   4.793   7.935
  121   HG12  VAL  15          2HG1      VAL  15   4.822   5.031   7.511
  122   HG13  VAL  15          3HG1      VAL  15   3.797   4.000   6.510
  123   HG21  VAL  15          3HG2      VAL  15   2.101   4.969   5.040
  124   HG22  VAL  15          1HG2      VAL  15   1.844   6.713   4.988
  125   HG23  VAL  15          2HG2      VAL  15   1.329   5.788   6.397
  126    H    TYR  16           H        TYR  16   5.032   6.394   8.833
  127    HA   TYR  16           HA       TYR  16   7.394   7.833   7.845
  128    HB2  TYR  16           2HB      TYR  16   6.348   7.780  10.637
  129    HB3  TYR  16           1HB      TYR  16   8.090   7.753  10.389
  130    HD1  TYR  16           1HD      TYR  16   9.134   9.592   9.027
  131    HD2  TYR  16           2HD      TYR  16   5.158   9.819  10.510
  132    HE1  TYR  16           1HE      TYR  16   9.183  12.020   8.746
  133    HE2  TYR  16           2HE      TYR  16   5.195  12.262  10.241
  134    HH   TYR  16           HH       TYR  16   7.778  13.910   8.584
  135    H    ILE  17           H        ILE  17   9.017   6.529   7.448
  136    HA   ILE  17           HA       ILE  17   9.586   4.291   9.188
  137    HB   ILE  17           HB       ILE  17  10.029   2.803   7.133
  138   HG12  ILE  17          2HG1      ILE  17   7.936   4.648   5.969
  139   HG13  ILE  17          1HG1      ILE  17   9.595   4.475   5.404
  140   HG21  ILE  17          1HG2      ILE  17   7.785   1.843   7.247
  141   HG22  ILE  17          2HG2      ILE  17   7.210   3.296   8.064
  142   HG23  ILE  17          3HG2      ILE  17   8.409   2.263   8.842
  143   HD11  ILE  17          3HD1      ILE  17   8.022   3.269   3.986
  144   HD12  ILE  17          1HD1      ILE  17   7.502   2.311   5.375
  145   HD13  ILE  17          2HD1      ILE  17   9.153   2.168   4.774
  146    HA   PRO  18           HA       PRO  18  13.740   5.496   8.683
  147    HB2  PRO  18           2HB      PRO  18  14.455   2.642   8.255
  148    HB3  PRO  18           1HB      PRO  18  15.036   3.778   9.478
  149    HG2  PRO  18           2HG      PRO  18  13.318   1.856  10.124
  150    HG3  PRO  18           1HG      PRO  18  13.166   3.479  10.826
  151    HD2  PRO  18           2HD      PRO  18  11.596   2.211   8.616
  152    HD3  PRO  18           1HD      PRO  18  11.038   3.253   9.943
  153    H    GLN  19           H        GLN  19  15.579   5.559   7.309
  154    HA   GLN  19           HA       GLN  19  14.892   5.811   4.588
  155    HB2  GLN  19           2HB      GLN  19  17.220   6.443   4.236
  156    HB3  GLN  19           1HB      GLN  19  16.564   7.234   5.660
  157    HG2  GLN  19           2HG      GLN  19  17.675   5.520   7.061
  158    HG3  GLN  19           1HG      GLN  19  18.417   4.865   5.601
  159   HE21  GLN  19          1HE2      GLN  19  20.000   6.067   4.532
  160   HE22  GLN  19          2HE2      GLN  19  20.827   7.383   5.307
  161    H    GLU  20           H        GLU  20  16.634   3.278   6.360
  162    HA   GLU  20           HA       GLU  20  17.485   1.812   4.114
  163    HB2  GLU  20           2HB      GLU  20  17.327  -0.195   5.736
  164    HB3  GLU  20           1HB      GLU  20  18.489   1.083   6.060
  165    HG2  GLU  20           2HG      GLU  20  15.813   1.345   7.257
  166    HG3  GLU  20           1HG      GLU  20  16.879   0.101   7.912
  167    H    TRP  21           H        TRP  21  14.365   2.263   5.423
  168    HA   TRP  21           HA       TRP  21  13.196  -0.076   4.209
  169    HB2  TRP  21           2HB      TRP  21  12.141   2.365   5.594
  170    HB3  TRP  21           1HB      TRP  21  11.049   1.380   4.629
  171    HD1  TRP  21           HD       TRP  21  13.726   0.411   7.299
  172    HE1  TRP  21           1HE      TRP  21  12.572  -1.165   8.982
  173    HE3  TRP  21           3HE      TRP  21   9.039   0.365   5.271
  174    HZ2  TRP  21           2HZ      TRP  21   9.991  -2.277   9.384
  175    HZ3  TRP  21           3HZ      TRP  21   7.288  -0.971   6.353
  176    HH2  TRP  21           HH       TRP  21   7.754  -2.257   8.362
  177    H    HIS  22           H        HIS  22  13.252   3.410   3.570
  178    HA   HIS  22           HA       HIS  22  11.853   3.322   1.119
  179    HB2  HIS  22           2HB      HIS  22  13.921   5.284   2.144
  180    HB3  HIS  22           1HB      HIS  22  13.009   5.519   0.656
  181    HD1  HIS  22           1HD      HIS  22  11.256   7.224   1.074
  182    HD2  HIS  22           2HD      HIS  22  11.755   4.679   4.330
  183    HE1  HIS  22           1HE      HIS  22   9.517   7.919   2.753
  184    HE2  HIS  22           2HE      HIS  22   9.975   6.501   4.784
  185    H    ASP  23           H        ASP  23  15.197   2.860   1.981
  186    HA   ASP  23           HA       ASP  23  16.437   2.826  -0.500
  187    HB2  ASP  23           2HB      ASP  23  17.613   2.751   1.649
  188    HB3  ASP  23           1HB      ASP  23  17.002   1.128   1.938
  189    H    ARG  24           H        ARG  24  15.077   0.047   1.284
  190    HA   ARG  24           HA       ARG  24  15.502  -1.756  -0.905
  191    HB2  ARG  24           2HB      ARG  24  14.142  -1.917   1.751
  192    HB3  ARG  24           1HB      ARG  24  13.763  -3.135   0.546
  193    HG2  ARG  24           2HG      ARG  24  15.494  -3.887   2.086
  194    HG3  ARG  24           1HG      ARG  24  16.092  -3.788   0.432
  195    HD2  ARG  24           2HD      ARG  24  17.377  -1.898   0.885
  196    HD3  ARG  24           1HD      ARG  24  16.470  -1.518   2.350
  197    HE   ARG  24           HE       ARG  24  17.582  -3.938   2.896
  198   HH11  ARG  24          1HH1      ARG  24  18.952  -0.921   1.731
  199   HH12  ARG  24          2HH1      ARG  24  20.442  -1.126   2.609
  200   HH21  ARG  24          1HH2      ARG  24  19.525  -4.179   4.065
  201   HH22  ARG  24          2HH2      ARG  24  20.762  -2.960   3.951
  202    H    LEU  25           H        LEU  25  12.841   0.252   0.161
  203    HA   LEU  25           HA       LEU  25  10.826  -0.920  -1.422
  204    HB2  LEU  25           2HB      LEU  25  11.163   1.897  -0.401
  205    HB3  LEU  25           1HB      LEU  25   9.742   1.361  -1.279
  206    HG   LEU  25           HG       LEU  25  10.689   0.268   1.373
  207   HD11  LEU  25          1HD1      LEU  25   9.777   2.503   1.576
  208   HD12  LEU  25          2HD1      LEU  25   8.650   1.322   2.243
  209   HD13  LEU  25          3HD1      LEU  25   8.350   2.028   0.655
  210   HD21  LEU  25          3HD2      LEU  25   8.565  -0.959   1.374
  211   HD22  LEU  25          1HD2      LEU  25   9.605  -1.454   0.039
  212   HD23  LEU  25          2HD2      LEU  25   8.237  -0.382  -0.261
  213    H    MET  26           H        MET  26  12.982   1.842  -2.058
  214    HA   MET  26           HA       MET  26  11.965   2.390  -4.626
  215    HB2  MET  26           2HB      MET  26  14.642   3.031  -3.394
  216    HB3  MET  26           1HB      MET  26  14.118   3.632  -4.961
  217    HG2  MET  26           2HG      MET  26  12.226   4.749  -3.909
  218    HG3  MET  26           1HG      MET  26  12.747   4.148  -2.334
  219    HE1  MET  26           3HE      MET  26  12.648   6.637  -1.418
  220    HE2  MET  26           1HE      MET  26  12.186   7.252  -3.002
  221    HE3  MET  26           2HE      MET  26  13.532   7.987  -2.131
  222    H    GLU  27           H        GLU  27  14.481   0.178  -3.555
  223    HA   GLU  27           HA       GLU  27  15.578  -0.409  -6.078
  224    HB2  GLU  27           2HB      GLU  27  16.589  -1.095  -3.927
  225    HB3  GLU  27           1HB      GLU  27  15.268  -2.225  -3.677
  226    HG2  GLU  27           2HG      GLU  27  17.064  -3.516  -4.439
  227    HG3  GLU  27           1HG      GLU  27  15.989  -3.342  -5.826
  228    H    ILE  28           H        ILE  28  13.125  -2.182  -4.209
  229    HA   ILE  28           HA       ILE  28  12.448  -4.000  -6.259
  230    HB   ILE  28           HB       ILE  28  10.763  -3.058  -3.929
  231   HG12  ILE  28          2HG1      ILE  28  12.544  -5.487  -4.219
  232   HG13  ILE  28          1HG1      ILE  28  12.941  -4.045  -3.290
  233   HG21  ILE  28          1HG2      ILE  28   9.529  -5.157  -4.221
  234   HG22  ILE  28          2HG2      ILE  28  10.480  -5.508  -5.664
  235   HG23  ILE  28          3HG2      ILE  28   9.393  -4.119  -5.641
  236   HD11  ILE  28          3HD1      ILE  28  10.661  -5.931  -2.737
  237   HD12  ILE  28          1HD1      ILE  28  11.053  -4.487  -1.804
  238   HD13  ILE  28          2HD1      ILE  28  12.181  -5.842  -1.850
  239    H    ALA  29           H        ALA  29  11.097  -0.885  -5.310
  240    HA   ALA  29           HA       ALA  29   8.835  -0.916  -6.995
  241    HB1  ALA  29           1HB      ALA  29   8.677   1.455  -6.536
  242    HB2  ALA  29           2HB      ALA  29  10.335   1.475  -5.937
  243    HB3  ALA  29           3HB      ALA  29   9.093   0.582  -5.060
  244    H    LYS  30           H        LYS  30  12.158  -0.342  -7.624
  245    HA   LYS  30           HA       LYS  30  11.777   1.225  -9.993
  246    HB2  LYS  30           2HB      LYS  30  13.804   1.524  -8.769
  247    HB3  LYS  30           1HB      LYS  30  14.144  -0.199  -8.803
  248    HG2  LYS  30           2HG      LYS  30  14.451  -0.041 -11.255
  249    HG3  LYS  30           1HG      LYS  30  14.229   1.705 -11.132
  250    HD2  LYS  30           2HD      LYS  30  16.607   1.093 -11.178
  251    HD3  LYS  30           1HD      LYS  30  16.158   1.868  -9.656
  252    HE2  LYS  30           2HE      LYS  30  15.943  -0.387  -8.635
  253    HE3  LYS  30           1HE      LYS  30  16.519  -1.088 -10.143
  254    HZ1  LYS  30           3HZ      LYS  30  18.226  -0.805  -8.382
  255    HZ2  LYS  30           1HZ      LYS  30  18.073   0.876  -8.555
  256    HZ3  LYS  30           2HZ      LYS  30  18.617  -0.063  -9.861
  257    H    GLU  31           H        GLU  31  12.804  -2.103  -9.327
  258    HA   GLU  31           HA       GLU  31  12.930  -2.891 -12.030
  259    HB2  GLU  31           2HB      GLU  31  14.022  -4.161 -10.237
  260    HB3  GLU  31           1HB      GLU  31  12.445  -4.619  -9.599
  261    HG2  GLU  31           2HG      GLU  31  11.948  -5.801 -11.675
  262    HG3  GLU  31           1HG      GLU  31  13.525  -5.343 -12.314
  263    H    LYS  32           H        LYS  32  10.269  -2.885  -9.714
  264    HA   LYS  32           HA       LYS  32   8.645  -4.493 -11.523
  265    HB2  LYS  32           2HB      LYS  32   8.287  -3.617  -8.674
  266    HB3  LYS  32           1HB      LYS  32   6.960  -4.309  -9.588
  267    HG2  LYS  32           2HG      LYS  32   7.897  -6.058  -8.316
  268    HG3  LYS  32           1HG      LYS  32   8.407  -6.322  -9.983
  269    HD2  LYS  32           2HD      LYS  32  10.595  -5.438  -9.502
  270    HD3  LYS  32           1HD      LYS  32  10.096  -4.983  -7.871
  271    HE2  LYS  32           2HE      LYS  32  11.390  -7.019  -7.783
  272    HE3  LYS  32           1HE      LYS  32   9.717  -7.368  -7.357
  273    HZ1  LYS  32           3HZ      LYS  32  11.052  -7.916  -9.952
  274    HZ2  LYS  32           1HZ      LYS  32   9.388  -8.126  -9.679
  275    HZ3  LYS  32           2HZ      LYS  32  10.516  -9.057  -8.822
  276    H    ASN  33           H        ASN  33   9.232  -1.273 -11.171
  277    HA   ASN  33           HA       ASN  33   8.212   0.638 -11.837
  278    HB2  ASN  33           2HB      ASN  33   7.779  -0.700 -13.907
  279    HB3  ASN  33           1HB      ASN  33   6.222  -1.168 -13.236
  280   HD21  ASN  33          1HD2      ASN  33   8.098   1.414 -14.622
  281   HD22  ASN  33          2HD2      ASN  33   6.777   2.515 -14.866
  282    H    LEU  34           H        LEU  34   7.767   0.414  -9.420
  283    HA   LEU  34           HA       LEU  34   4.906   0.849  -8.947
  284    HB2  LEU  34           2HB      LEU  34   6.767  -0.823  -7.252
  285    HB3  LEU  34           1HB      LEU  34   5.170  -0.304  -6.743
  286    HG   LEU  34           HG       LEU  34   5.726  -2.092  -9.111
  287   HD11  LEU  34          1HD1      LEU  34   6.292  -3.178  -6.996
  288   HD12  LEU  34          2HD1      LEU  34   4.847  -3.889  -7.715
  289   HD13  LEU  34          3HD1      LEU  34   4.698  -2.773  -6.359
  290   HD21  LEU  34          3HD2      LEU  34   3.672  -0.774  -9.325
  291   HD22  LEU  34          1HD2      LEU  34   3.140  -1.347  -7.746
  292   HD23  LEU  34          2HD2      LEU  34   3.317  -2.484  -9.084
  293    H    THR  35           H        THR  35   4.550   2.030  -6.880
  294    HA   THR  35           HA       THR  35   6.850   3.737  -6.195
  295    HB   THR  35           HB       THR  35   4.039   4.386  -5.371
  296    HG1  THR  35           1HG      THR  35   3.665   4.174  -7.509
  297   HG21  THR  35          3HG2      THR  35   6.388   6.098  -6.199
  298   HG22  THR  35          1HG2      THR  35   5.921   5.736  -4.538
  299   HG23  THR  35          2HG2      THR  35   4.847   6.681  -5.570
  300    H    LEU  36           H        LEU  36   7.104   4.227  -3.844
  301    HA   LEU  36           HA       LEU  36   6.947   1.932  -2.241
  302    HB2  LEU  36           2HB      LEU  36   7.668   3.267  -0.404
  303    HB3  LEU  36           1HB      LEU  36   8.499   3.826  -1.837
  304    HG   LEU  36           HG       LEU  36   6.080   5.234  -0.717
  305   HD11  LEU  36          1HD1      LEU  36   7.845   5.154   0.981
  306   HD12  LEU  36          2HD1      LEU  36   7.626   6.785   0.348
  307   HD13  LEU  36          3HD1      LEU  36   8.994   5.807  -0.187
  308   HD21  LEU  36          3HD2      LEU  36   8.269   6.074  -2.616
  309   HD22  LEU  36          1HD2      LEU  36   7.019   7.141  -1.977
  310   HD23  LEU  36          2HD2      LEU  36   6.575   5.789  -3.017
  311    H    SER  37           H        SER  37   4.779   4.666  -2.571
  312    HA   SER  37           HA       SER  37   2.915   4.038  -0.595
  313    HB2  SER  37           2HB      SER  37   1.299   5.201  -2.254
  314    HB3  SER  37           1HB      SER  37   2.671   6.137  -1.653
  315    HG   SER  37           HG       SER  37   2.054   5.583  -4.172
  316    H    ASP  38           H        ASP  38   3.217   2.900  -3.933
  317    HA   ASP  38           HA       ASP  38   0.847   1.376  -3.988
  318    HB2  ASP  38           2HB      ASP  38   3.368   1.292  -5.633
  319    HB3  ASP  38           1HB      ASP  38   2.069   0.132  -5.886
  320    H    VAL  39           H        VAL  39   4.205   0.485  -3.246
  321    HA   VAL  39           HA       VAL  39   3.703  -2.276  -2.853
  322    HB   VAL  39           HB       VAL  39   5.858  -0.586  -1.558
  323   HG11  VAL  39          1HG1      VAL  39   5.582  -2.776  -0.500
  324   HG12  VAL  39          2HG1      VAL  39   7.102  -2.681  -1.387
  325   HG13  VAL  39          3HG1      VAL  39   5.736  -3.560  -2.074
  326   HG21  VAL  39          3HG2      VAL  39   5.917  -0.342  -3.971
  327   HG22  VAL  39          1HG2      VAL  39   5.879  -2.096  -4.169
  328   HG23  VAL  39          2HG2      VAL  39   7.277  -1.321  -3.423
  329    H    CYS  40           H        CYS  40   3.358   0.512  -0.759
  330    HA   CYS  40           HA       CYS  40   3.115  -0.944   1.669
  331    HB2  CYS  40           2HB      CYS  40   3.559   1.616   1.204
  332    HB3  CYS  40           1HB      CYS  40   1.802   1.743   1.243
  333    HG   CYS  40           HG       CYS  40   2.876   0.061   3.858
  334    H    ARG  41           H        ARG  41   0.544   0.710  -0.227
  335    HA   ARG  41           HA       ARG  41  -1.585  -0.600   0.924
  336    HB2  ARG  41           2HB      ARG  41  -2.867  -0.033  -1.117
  337    HB3  ARG  41           1HB      ARG  41  -1.971   1.318  -0.449
  338    HG2  ARG  41           2HG      ARG  41  -1.496   1.637  -2.623
  339    HG3  ARG  41           1HG      ARG  41  -0.188   0.517  -2.245
  340    HD2  ARG  41           2HD      ARG  41  -1.353  -1.312  -3.207
  341    HD3  ARG  41           1HD      ARG  41  -2.856  -0.388  -3.302
  342    HE   ARG  41           HE       ARG  41  -0.659   0.728  -4.803
  343   HH11  ARG  41          1HH1      ARG  41  -3.360  -1.521  -4.935
  344   HH12  ARG  41          2HH1      ARG  41  -3.603  -1.309  -6.645
  345   HH21  ARG  41          1HH2      ARG  41  -0.940   0.971  -7.032
  346   HH22  ARG  41          2HH2      ARG  41  -2.207   0.092  -7.844
  347    H    LEU  42           H        LEU  42   0.483  -1.765  -1.731
  348    HA   LEU  42           HA       LEU  42  -1.082  -4.089  -2.236
  349    HB2  LEU  42           2HB      LEU  42   1.850  -3.545  -2.694
  350    HB3  LEU  42           1HB      LEU  42   1.050  -5.018  -3.205
  351    HG   LEU  42           HG       LEU  42   0.376  -2.236  -4.163
  352   HD11  LEU  42          1HD1      LEU  42   2.512  -2.987  -5.020
  353   HD12  LEU  42          2HD1      LEU  42   1.299  -3.015  -6.301
  354   HD13  LEU  42          3HD1      LEU  42   1.799  -4.518  -5.525
  355   HD21  LEU  42          3HD2      LEU  42  -1.573  -3.714  -4.110
  356   HD22  LEU  42          1HD2      LEU  42  -0.687  -4.921  -5.042
  357   HD23  LEU  42          2HD2      LEU  42  -1.076  -3.360  -5.764
  358    H    ALA  43           H        ALA  43   1.160  -3.171   0.189
  359    HA   ALA  43           HA       ALA  43   1.697  -5.753   1.206
  360    HB1  ALA  43           1HB      ALA  43   1.869  -3.103   2.610
  361    HB2  ALA  43           2HB      ALA  43   3.157  -3.854   1.666
  362    HB3  ALA  43           3HB      ALA  43   2.589  -4.619   3.150
  363    H    ILE  44           H        ILE  44  -0.845  -3.390   1.701
  364    HA   ILE  44           HA       ILE  44  -2.017  -4.517   4.020
  365    HB   ILE  44           HB       ILE  44  -3.272  -2.920   1.779
  366   HG12  ILE  44          2HG1      ILE  44  -1.630  -1.711   3.181
  367   HG13  ILE  44          1HG1      ILE  44  -3.271  -1.078   3.336
  368   HG21  ILE  44          1HG2      ILE  44  -4.496  -3.745   4.407
  369   HG22  ILE  44          2HG2      ILE  44  -4.979  -4.303   2.804
  370   HG23  ILE  44          3HG2      ILE  44  -5.207  -2.614   3.257
  371   HD11  ILE  44          3HD1      ILE  44  -1.843  -2.863   5.299
  372   HD12  ILE  44          1HD1      ILE  44  -3.526  -2.355   5.433
  373   HD13  ILE  44          2HD1      ILE  44  -2.237  -1.155   5.505
  374    H    LYS  45           H        LYS  45  -2.671  -4.886   0.568
  375    HA   LYS  45           HA       LYS  45  -4.731  -6.745   0.794
  376    HB2  LYS  45           2HB      LYS  45  -3.746  -5.441  -1.286
  377    HB3  LYS  45           1HB      LYS  45  -2.803  -6.910  -1.491
  378    HG2  LYS  45           2HG      LYS  45  -5.792  -6.980  -1.234
  379    HG3  LYS  45           1HG      LYS  45  -4.995  -6.707  -2.782
  380    HD2  LYS  45           2HD      LYS  45  -4.382  -9.080  -1.034
  381    HD3  LYS  45           1HD      LYS  45  -5.663  -9.095  -2.248
  382    HE2  LYS  45           2HE      LYS  45  -4.002  -8.528  -3.973
  383    HE3  LYS  45           1HE      LYS  45  -2.734  -8.583  -2.750
  384    HZ1  LYS  45           3HZ      LYS  45  -3.082 -10.638  -4.169
  385    HZ2  LYS  45           1HZ      LYS  45  -4.493 -10.901  -3.269
  386    HZ3  LYS  45           2HZ      LYS  45  -2.983 -10.879  -2.493
  387    H    GLU  46           H        GLU  46  -1.244  -7.112   0.824
  388    HA   GLU  46           HA       GLU  46  -1.239  -9.960   0.691
  389    HB2  GLU  46           2HB      GLU  46   0.709  -8.445   0.126
  390    HB3  GLU  46           1HB      GLU  46   0.907  -8.178   1.853
  391    HG2  GLU  46           2HG      GLU  46   2.454  -9.842   1.317
  392    HG3  GLU  46           1HG      GLU  46   1.107 -10.701   2.065
  393    H    TYR  47           H        TYR  47  -1.218  -7.551   3.247
  394    HA   TYR  47           HA       TYR  47  -0.717  -9.258   5.404
  395    HB2  TYR  47           2HB      TYR  47  -0.573  -6.776   5.493
  396    HB3  TYR  47           1HB      TYR  47  -2.330  -6.699   5.416
  397    HD1  TYR  47           2HD      TYR  47   0.546  -7.629   7.501
  398    HD2  TYR  47           1HD      TYR  47  -3.681  -7.194   7.347
  399    HE1  TYR  47           2HE      TYR  47   0.446  -7.814   9.948
  400    HE2  TYR  47           1HE      TYR  47  -3.795  -7.381   9.797
  401    HH   TYR  47           HH       TYR  47  -2.435  -8.356  11.625
  402    H    LEU  48           H        LEU  48  -3.748  -8.080   4.013
  403    HA   LEU  48           HA       LEU  48  -5.464  -9.448   5.796
  404    HB2  LEU  48           2HB      LEU  48  -6.071  -8.633   2.953
  405    HB3  LEU  48           1HB      LEU  48  -7.232  -8.932   4.229
  406    HG   LEU  48           HG       LEU  48  -5.279  -6.633   4.110
  407   HD11  LEU  48          1HD1      LEU  48  -7.296  -5.266   3.848
  408   HD12  LEU  48          2HD1      LEU  48  -8.277  -6.730   3.804
  409   HD13  LEU  48          3HD1      LEU  48  -7.108  -6.415   2.523
  410   HD21  LEU  48          3HD2      LEU  48  -5.663  -7.359   6.411
  411   HD22  LEU  48          1HD2      LEU  48  -7.406  -7.279   6.153
  412   HD23  LEU  48          2HD2      LEU  48  -6.439  -5.807   6.100
  413    H    ASP  49           H        ASP  49  -4.336 -10.181   2.536
  414    HA   ASP  49           HA       ASP  49  -5.861 -12.530   2.207
  415    HB2  ASP  49           2HB      ASP  49  -4.869 -11.080   0.412
  416    HB3  ASP  49           1HB      ASP  49  -3.309 -11.807   0.776
  417    H    ASN  50           H        ASN  50  -2.550 -12.007   3.360
  418    HA   ASN  50           HA       ASN  50  -1.931 -14.812   3.191
  419    HB2  ASN  50           2HB      ASN  50   0.241 -14.219   3.459
  420    HB3  ASN  50           1HB      ASN  50  -0.362 -12.602   3.114
  421   HD21  ASN  50          1HD2      ASN  50  -0.360 -11.084   4.667
  422   HD22  ASN  50          2HD2      ASN  50   0.393 -11.290   6.221
  423    H    HIS  51           H        HIS  51  -3.128 -12.671   5.677
  424    HA   HIS  51           HA       HIS  51  -2.685 -14.677   7.740
  425    HB2  HIS  51           2HB      HIS  51  -3.797 -11.896   7.764
  426    HB3  HIS  51           1HB      HIS  51  -4.146 -12.984   9.103
  427    HD1  HIS  51           1HD      HIS  51  -2.034 -13.862  10.466
  428    HD2  HIS  51           2HD      HIS  51  -1.322 -10.724   7.830
  429    HE1  HIS  51           1HE      HIS  51   0.172 -12.874  11.158
  430    HE2  HIS  51           2HE      HIS  51   0.697 -11.158   9.391
  431    H    ASP  52           H        ASP  52  -5.510 -12.994   6.381
  432    HA   ASP  52           HA       ASP  52  -7.193 -15.190   7.331
  433    HB2  ASP  52           2HB      ASP  52  -7.926 -12.480   6.201
  434    HB3  ASP  52           1HB      ASP  52  -9.093 -13.702   6.696
  435    H    LYS  53           H        LYS  53  -6.282 -16.630   5.774
  436    HA   LYS  53           HA       LYS  53  -6.442 -16.168   2.975
  437    HB2  LYS  53           2HB      LYS  53  -6.210 -18.800   4.445
  438    HB3  LYS  53           1HB      LYS  53  -5.850 -18.523   2.749
  439    HG2  LYS  53           2HG      LYS  53  -4.014 -17.035   3.390
  440    HG3  LYS  53           1HG      LYS  53  -4.369 -17.347   5.090
  441    HD2  LYS  53           2HD      LYS  53  -3.982 -19.764   4.673
  442    HD3  LYS  53           1HD      LYS  53  -3.496 -19.365   3.027
  443    HE2  LYS  53           2HE      LYS  53  -1.548 -19.657   4.448
  444    HE3  LYS  53           1HE      LYS  53  -1.675 -17.985   3.904
  445    HZ1  LYS  53           3HZ      LYS  53  -2.228 -17.253   5.982
  446    HZ2  LYS  53           1HZ      LYS  53  -1.173 -18.519   6.379
  447    HZ3  LYS  53           2HZ      LYS  53  -2.853 -18.744   6.488
  448    H    GLN  54           H        GLN  54  -8.866 -16.626   5.127
  449    HA   GLN  54           HA       GLN  54 -10.505 -18.392   3.528
  450    HB2  GLN  54           2HB      GLN  54 -11.068 -16.865   6.075
  451    HB3  GLN  54           1HB      GLN  54 -12.231 -17.921   5.279
  452    HG2  GLN  54           2HG      GLN  54  -9.556 -18.754   6.383
  453    HG3  GLN  54           1HG      GLN  54 -11.126 -19.047   7.129
  454   HE21  GLN  54          1HE2      GLN  54 -12.515 -20.561   6.228
  455   HE22  GLN  54          2HE2      GLN  54 -11.967 -21.757   5.096
  456    H    LYS  55           H        LYS  55 -10.376 -17.024   1.645
  457    HA   LYS  55           HA       LYS  55 -11.820 -14.515   1.664
  458    HB2  LYS  55           2HB      LYS  55 -11.097 -16.043  -0.823
  459    HB3  LYS  55           1HB      LYS  55 -11.207 -14.306  -0.597
  460    HG2  LYS  55           2HG      LYS  55  -9.041 -16.105   0.472
  461    HG3  LYS  55           1HG      LYS  55  -8.904 -15.000  -0.894
  462    HD2  LYS  55           2HD      LYS  55  -9.506 -14.170   1.943
  463    HD3  LYS  55           1HD      LYS  55  -7.910 -14.114   1.195
  464    HE2  LYS  55           2HE      LYS  55  -8.726 -12.532  -0.465
  465    HE3  LYS  55           1HE      LYS  55 -10.348 -12.625   0.225
  466    HZ1  LYS  55           3HZ      LYS  55  -9.439 -11.743   2.310
  467    HZ2  LYS  55           1HZ      LYS  55  -9.234 -10.663   1.020
  468    HZ3  LYS  55           2HZ      LYS  55  -7.923 -11.576   1.576
  469    H    LYS  56           H        LYS  56 -12.173 -17.563  -0.101
  470    HA   LYS  56           HA       LYS  56 -14.958 -17.727   0.662
  471    HB2  LYS  56           2HB      LYS  56 -14.984 -16.412  -1.449
  472    HB3  LYS  56           1HB      LYS  56 -14.163 -17.740  -2.256
  473    HG2  LYS  56           2HG      LYS  56 -16.044 -19.191  -1.915
  474    HG3  LYS  56           1HG      LYS  56 -16.856 -17.973  -0.929
  475    HD2  LYS  56           2HD      LYS  56 -17.801 -17.983  -3.154
  476    HD3  LYS  56           1HD      LYS  56 -16.924 -16.476  -2.889
  477    HE2  LYS  56           2HE      LYS  56 -14.976 -17.489  -4.075
  478    HE3  LYS  56           1HE      LYS  56 -15.997 -18.878  -4.453
  479    HZ1  LYS  56           3HZ      LYS  56 -17.526 -17.350  -5.590
  480    HZ2  LYS  56           1HZ      LYS  56 -15.981 -17.357  -6.295
  481    HZ3  LYS  56           2HZ      LYS  56 -16.452 -16.071  -5.297
  482    H1   GLY   2           1HT      GLY   2  22.383  15.569  20.939
  483    H2   GLY   2           2HT      GLY   2  23.988  15.029  21.050
  484    H3   GLY   2           3HT      GLY   2  22.714  13.913  21.080
  485    HA2  GLY   2           1HA      GLY   2  23.404  15.651  18.780
  486    HA3  GLY   2           2HA      GLY   2  23.830  13.950  18.924
  487    H    ARG   3           H        ARG   3  22.412  14.709  16.761
  488    HA   ARG   3           HA       ARG   3  19.650  13.893  17.369
  489    HB2  ARG   3           2HB      ARG   3  20.776  15.212  14.893
  490    HB3  ARG   3           1HB      ARG   3  19.101  14.717  15.096
  491    HG2  ARG   3           2HG      ARG   3  18.948  16.261  17.036
  492    HG3  ARG   3           1HG      ARG   3  20.573  16.829  16.647
  493    HD2  ARG   3           2HD      ARG   3  18.964  18.343  15.696
  494    HD3  ARG   3           1HD      ARG   3  19.767  17.463  14.395
  495    HE   ARG   3           HE       ARG   3  17.474  16.036  15.003
  496   HH11  ARG   3          1HH1      ARG   3  18.250  19.241  13.813
  497   HH12  ARG   3          2HH1      ARG   3  16.753  19.413  12.938
  498   HH21  ARG   3          1HH2      ARG   3  15.530  16.236  13.833
  499   HH22  ARG   3          2HH2      ARG   3  15.203  17.706  12.959
  500    HA   PRO   4           HA       PRO   4  21.053   9.983  15.644
  501    HB2  PRO   4           2HB      PRO   4  18.426   9.035  16.506
  502    HB3  PRO   4           1HB      PRO   4  20.025   8.526  17.052
  503    HG2  PRO   4           2HG      PRO   4  18.330   9.927  18.624
  504    HG3  PRO   4           1HG      PRO   4  20.093  10.088  18.737
  505    HD2  PRO   4           2HD      PRO   4  18.108  11.877  17.380
  506    HD3  PRO   4           1HD      PRO   4  19.522  12.306  18.367
  507    H    TYR   5           H        TYR   5  20.838  10.919  13.507
  508    HA   TYR   5           HA       TYR   5  18.205  11.142  12.334
  509    HB2  TYR   5           2HB      TYR   5  19.268  12.167  10.493
  510    HB3  TYR   5           1HB      TYR   5  20.199  12.693  11.888
  511    HD1  TYR   5           2HD      TYR   5  22.443  11.651  12.331
  512    HD2  TYR   5           1HD      TYR   5  20.262  10.905   8.749
  513    HE1  TYR   5           2HE      TYR   5  24.495  10.818  11.256
  514    HE2  TYR   5           1HE      TYR   5  22.304  10.075   7.669
  515    HH   TYR   5           HH       TYR   5  25.124   9.322   9.379
  516    H    LYS   6           H        LYS   6  20.731   8.841  12.515
  517    HA   LYS   6           HA       LYS   6  19.589   7.277  10.315
  518    HB2  LYS   6           2HB      LYS   6  22.075   7.655  10.408
  519    HB3  LYS   6           1HB      LYS   6  22.112   6.693  11.882
  520    HG2  LYS   6           2HG      LYS   6  22.736   5.313  10.019
  521    HG3  LYS   6           1HG      LYS   6  21.162   4.794  10.626
  522    HD2  LYS   6           2HD      LYS   6  20.203   6.377   8.818
  523    HD3  LYS   6           1HD      LYS   6  21.818   6.288   8.110
  524    HE2  LYS   6           2HE      LYS   6  20.436   4.627   7.068
  525    HE3  LYS   6           1HE      LYS   6  21.608   3.809   8.105
  526    HZ1  LYS   6           3HZ      LYS   6  19.429   2.841   8.394
  527    HZ2  LYS   6           1HZ      LYS   6  18.764   4.353   8.759
  528    HZ3  LYS   6           2HZ      LYS   6  19.877   3.648   9.817
  529    H    LEU   7           H        LEU   7  19.721   7.483  13.721
  530    HA   LEU   7           HA       LEU   7  18.910   4.725  14.148
  531    HB2  LEU   7           2HB      LEU   7  19.193   7.025  16.088
  532    HB3  LEU   7           1HB      LEU   7  18.846   5.366  16.536
  533    HG   LEU   7           HG       LEU   7  21.386   6.311  15.201
  534   HD11  LEU   7          1HD1      LEU   7  20.859   5.472  18.048
  535   HD12  LEU   7          2HD1      LEU   7  21.201   7.112  17.497
  536   HD13  LEU   7          3HD1      LEU   7  22.435   5.858  17.359
  537   HD21  LEU   7          3HD2      LEU   7  22.206   4.059  15.699
  538   HD22  LEU   7          1HD2      LEU   7  20.819   4.014  14.611
  539   HD23  LEU   7          2HD2      LEU   7  20.616   3.616  16.317
  540    H    LEU   8           H        LEU   8  17.571   7.965  14.795
  541    HA   LEU   8           HA       LEU   8  14.875   6.854  14.704
  542    HB2  LEU   8           2HB      LEU   8  15.994   9.535  15.463
  543    HB3  LEU   8           1HB      LEU   8  14.297   9.373  15.057
  544    HG   LEU   8           HG       LEU   8  14.532   9.314  17.442
  545   HD11  LEU   8          1HD1      LEU   8  13.991   6.560  16.354
  546   HD12  LEU   8          2HD1      LEU   8  12.827   7.875  16.517
  547   HD13  LEU   8          3HD1      LEU   8  13.532   7.138  17.957
  548   HD21  LEU   8          3HD2      LEU   8  16.849   8.654  17.626
  549   HD22  LEU   8          1HD2      LEU   8  16.463   7.042  17.025
  550   HD23  LEU   8          2HD2      LEU   8  15.833   7.574  18.584
  551    H    ASN   9           H        ASN   9  16.142   6.462  12.426
  552    HA   ASN   9           HA       ASN   9  15.846   8.617  10.558
  553    HB2  ASN   9           2HB      ASN   9  17.617   6.854  10.373
  554    HB3  ASN   9           1HB      ASN   9  16.358   5.682  10.001
  555   HD21  ASN   9          1HD2      ASN   9  18.070   8.497   8.885
  556   HD22  ASN   9          2HD2      ASN   9  17.655   8.326   7.212
  557    H    GLY  10           H        GLY  10  14.202   9.033   9.253
  558    HA2  GLY  10           2HA      GLY  10  12.189   7.090   8.610
  559    HA3  GLY  10           1HA      GLY  10  11.639   8.302   9.764
  560    H    ILE  11           H        ILE  11  11.616   7.537   6.637
  561    HA   ILE  11           HA       ILE  11  11.738  10.318   5.678
  562    HB   ILE  11           HB       ILE  11  11.540   7.816   3.994
  563   HG12  ILE  11          2HG1      ILE  11  13.601   7.704   5.305
  564   HG13  ILE  11          1HG1      ILE  11  13.957   8.010   3.608
  565   HG21  ILE  11          1HG2      ILE  11  10.852   9.879   2.888
  566   HG22  ILE  11          2HG2      ILE  11  12.350   9.255   2.194
  567   HG23  ILE  11          3HG2      ILE  11  12.396  10.622   3.306
  568   HD11  ILE  11          3HD1      ILE  11  13.944  10.066   5.804
  569   HD12  ILE  11          1HD1      ILE  11  14.287  10.375   4.103
  570   HD13  ILE  11          2HD1      ILE  11  15.370   9.351   5.045
  571    H    LYS  12           H        LYS  12   9.919  11.103   4.415
  572    HA   LYS  12           HA       LYS  12   7.454   9.916   5.460
  573    HB2  LYS  12           2HB      LYS  12   8.090  12.342   5.896
  574    HB3  LYS  12           1HB      LYS  12   7.756  12.637   4.195
  575    HG2  LYS  12           2HG      LYS  12   5.686  11.356   5.929
  576    HG3  LYS  12           1HG      LYS  12   5.932  13.102   5.979
  577    HD2  LYS  12           2HD      LYS  12   5.406  13.313   3.657
  578    HD3  LYS  12           1HD      LYS  12   5.399  11.559   3.446
  579    HE2  LYS  12           2HE      LYS  12   3.128  12.495   3.566
  580    HE3  LYS  12           1HE      LYS  12   3.457  11.362   4.874
  581    HZ1  LYS  12           3HZ      LYS  12   3.456  14.329   5.062
  582    HZ2  LYS  12           1HZ      LYS  12   3.913  13.289   6.320
  583    HZ3  LYS  12           2HZ      LYS  12   2.321  13.269   5.739
  584    H    LEU  13           H        LEU  13   6.021   9.030   4.235
  585    HA   LEU  13           HA       LEU  13   6.142   9.372   1.327
  586    HB2  LEU  13           2HB      LEU  13   5.695   6.930   1.097
  587    HB3  LEU  13           1HB      LEU  13   7.282   7.312   1.733
  588    HG   LEU  13           HG       LEU  13   5.033   6.612   3.599
  589   HD11  LEU  13          1HD1      LEU  13   6.853   4.685   2.163
  590   HD12  LEU  13          2HD1      LEU  13   5.102   4.806   1.986
  591   HD13  LEU  13          3HD1      LEU  13   5.801   4.279   3.517
  592   HD21  LEU  13          3HD2      LEU  13   8.038   6.336   3.751
  593   HD22  LEU  13          1HD2      LEU  13   6.901   5.837   5.002
  594   HD23  LEU  13          2HD2      LEU  13   7.061   7.545   4.588
  595    H    GLY  14           H        GLY  14   4.118   8.480   0.291
  596    HA2  GLY  14           2HA      GLY  14   1.812   8.744   2.088
  597    HA3  GLY  14           1HA      GLY  14   1.947   9.825   0.708
  598    H    VAL  15           H        VAL  15   0.448   7.157   1.738
  599    HA   VAL  15           HA       VAL  15   0.492   5.832  -0.884
  600    HB   VAL  15           HB       VAL  15  -0.601   4.742   1.730
  601   HG11  VAL  15          1HG1      VAL  15  -0.075   3.392  -0.908
  602   HG12  VAL  15          2HG1      VAL  15  -1.658   3.757  -0.222
  603   HG13  VAL  15          3HG1      VAL  15  -0.599   2.591   0.572
  604   HG21  VAL  15          3HG2      VAL  15   1.810   5.049   1.864
  605   HG22  VAL  15          1HG2      VAL  15   2.016   4.160   0.356
  606   HG23  VAL  15          2HG2      VAL  15   1.397   3.335   1.786
  607    H    TYR  16           H        TYR  16  -1.428   5.468  -2.007
  608    HA   TYR  16           HA       TYR  16  -3.742   7.042  -1.083
  609    HB2  TYR  16           2HB      TYR  16  -2.374   7.368  -3.407
  610    HB3  TYR  16           1HB      TYR  16  -3.581   6.184  -3.902
  611    HD1  TYR  16           1HD      TYR  16  -4.226   8.732  -1.345
  612    HD2  TYR  16           2HD      TYR  16  -4.745   7.651  -5.420
  613    HE1  TYR  16           1HE      TYR  16  -5.851  10.536  -1.597
  614    HE2  TYR  16           2HE      TYR  16  -6.389   9.461  -5.695
  615    HH   TYR  16           HH       TYR  16  -7.854  10.839  -4.393
  616    H    ILE  17           H        ILE  17  -5.481   5.864  -0.489
  617    HA   ILE  17           HA       ILE  17  -5.881   3.232  -1.693
  618    HB   ILE  17           HB       ILE  17  -6.130   2.111   0.447
  619   HG12  ILE  17          2HG1      ILE  17  -5.092   4.670   1.683
  620   HG13  ILE  17          1HG1      ILE  17  -6.746   4.073   1.816
  621   HG21  ILE  17          1HG2      ILE  17  -3.742   2.082   1.109
  622   HG22  ILE  17          2HG2      ILE  17  -3.474   3.476   0.063
  623   HG23  ILE  17          3HG2      ILE  17  -4.000   1.940  -0.628
  624   HD11  ILE  17          3HD1      ILE  17  -5.947   2.106   3.006
  625   HD12  ILE  17          1HD1      ILE  17  -5.450   3.590   3.821
  626   HD13  ILE  17          2HD1      ILE  17  -4.286   2.678   2.855
  627    HA   PRO  18           HA       PRO  18 -10.148   4.020  -1.750
  628    HB2  PRO  18           2HB      PRO  18 -10.639   1.323  -0.638
  629    HB3  PRO  18           1HB      PRO  18 -11.143   2.015  -2.182
  630    HG2  PRO  18           2HG      PRO  18  -9.202   0.189  -2.045
  631    HG3  PRO  18           1HG      PRO  18  -9.128   1.530  -3.204
  632    HD2  PRO  18           2HD      PRO  18  -7.676   1.176  -0.611
  633    HD3  PRO  18           1HD      PRO  18  -7.105   1.868  -2.146
  634    H    GLN  19           H        GLN  19 -12.237   3.877  -0.528
  635    HA   GLN  19           HA       GLN  19 -11.755   4.957   2.105
  636    HB2  GLN  19           2HB      GLN  19 -13.938   5.805   2.043
  637    HB3  GLN  19           1HB      GLN  19 -13.409   5.882   0.370
  638    HG2  GLN  19           2HG      GLN  19 -15.316   4.868  -0.139
  639    HG3  GLN  19           1HG      GLN  19 -14.604   3.404   0.538
  640   HE21  GLN  19          1HE2      GLN  19 -15.126   2.826   2.700
  641   HE22  GLN  19          2HE2      GLN  19 -16.575   3.405   3.451
  642    H    GLU  20           H        GLU  20 -13.282   2.091   0.708
  643    HA   GLU  20           HA       GLU  20 -14.368   1.025   3.077
  644    HB2  GLU  20           2HB      GLU  20 -14.201  -1.184   1.925
  645    HB3  GLU  20           1HB      GLU  20 -15.011   0.062   0.983
  646    HG2  GLU  20           2HG      GLU  20 -12.110  -0.247   0.593
  647    HG3  GLU  20           1HG      GLU  20 -13.147  -1.531  -0.026
  648    H    TRP  21           H        TRP  21 -11.181   1.329   1.953
  649    HA   TRP  21           HA       TRP  21 -10.025  -0.653   3.676
  650    HB2  TRP  21           2HB      TRP  21  -9.109   1.289   1.671
  651    HB3  TRP  21           1HB      TRP  21  -7.999   1.068   3.019
  652    HD1  TRP  21           HD       TRP  21 -10.018  -1.903   1.621
  653    HE1  TRP  21           1HE      TRP  21  -8.334  -3.534   0.547
  654    HE3  TRP  21           3HE      TRP  21  -5.804   0.918   2.016
  655    HZ2  TRP  21           2HZ      TRP  21  -5.573  -3.596  -0.056
  656    HZ3  TRP  21           3HZ      TRP  21  -3.694   0.017   1.176
  657    HH2  TRP  21           HH       TRP  21  -3.569  -2.177   0.171
  658    H    HIS  22           H        HIS  22 -10.225   2.895   3.576
  659    HA   HIS  22           HA       HIS  22  -9.011   3.404   6.044
  660    HB2  HIS  22           2HB      HIS  22 -11.043   4.897   4.413
  661    HB3  HIS  22           1HB      HIS  22 -10.602   5.473   6.020
  662    HD1  HIS  22           1HD      HIS  22  -8.874   7.215   5.914
  663    HD2  HIS  22           2HD      HIS  22  -8.428   4.429   2.855
  664    HE1  HIS  22           1HE      HIS  22  -6.840   7.936   4.623
  665    HE2  HIS  22           2HE      HIS  22  -6.681   6.329   2.696
  666    H    ASP  23           H        ASP  23 -12.329   2.564   5.230
  667    HA   ASP  23           HA       ASP  23 -13.543   2.925   7.708
  668    HB2  ASP  23           2HB      ASP  23 -14.683   2.413   5.552
  669    HB3  ASP  23           1HB      ASP  23 -14.114   0.754   5.680
  670    H    ARG  24           H        ARG  24 -12.114  -0.082   6.396
  671    HA   ARG  24           HA       ARG  24 -12.532  -1.508   8.850
  672    HB2  ARG  24           2HB      ARG  24 -11.161  -2.144   6.260
  673    HB3  ARG  24           1HB      ARG  24 -10.917  -3.186   7.651
  674    HG2  ARG  24           2HG      ARG  24 -12.651  -4.061   6.203
  675    HG3  ARG  24           1HG      ARG  24 -13.323  -3.603   7.768
  676    HD2  ARG  24           2HD      ARG  24 -14.328  -1.669   6.880
  677    HD3  ARG  24           1HD      ARG  24 -13.387  -1.764   5.392
  678    HE   ARG  24           HE       ARG  24 -14.864  -4.089   5.489
  679   HH11  ARG  24          1HH1      ARG  24 -15.652  -0.678   5.562
  680   HH12  ARG  24          2HH1      ARG  24 -17.096  -0.858   4.610
  681   HH21  ARG  24          1HH2      ARG  24 -16.755  -4.334   4.261
  682   HH22  ARG  24          2HH2      ARG  24 -17.728  -2.945   3.885
  683    H    LEU  25           H        LEU  25  -9.821   0.130   7.332
  684    HA   LEU  25           HA       LEU  25  -7.845  -0.824   9.117
  685    HB2  LEU  25           2HB      LEU  25  -7.946   1.559   7.285
  686    HB3  LEU  25           1HB      LEU  25  -6.554   1.218   8.299
  687    HG   LEU  25           HG       LEU  25  -7.650  -0.594   6.141
  688   HD11  LEU  25          1HD1      LEU  25  -6.549   1.377   5.236
  689   HD12  LEU  25          2HD1      LEU  25  -5.578  -0.070   4.961
  690   HD13  LEU  25          3HD1      LEU  25  -5.135   1.061   6.241
  691   HD21  LEU  25          3HD2      LEU  25  -5.210  -0.887   7.890
  692   HD22  LEU  25          1HD2      LEU  25  -5.651  -1.941   6.546
  693   HD23  LEU  25          2HD2      LEU  25  -6.676  -1.864   7.979
  694    H    MET  26           H        MET  26 -10.000   1.990   9.191
  695    HA   MET  26           HA       MET  26  -8.865   3.116  11.528
  696    HB2  MET  26           2HB      MET  26 -11.486   3.429  10.136
  697    HB3  MET  26           1HB      MET  26 -11.340   4.018  11.787
  698    HG2  MET  26           2HG      MET  26  -9.307   5.300  11.014
  699    HG3  MET  26           1HG      MET  26  -9.782   4.878   9.370
  700    HE1  MET  26           3HE      MET  26  -9.411   7.875  10.750
  701    HE2  MET  26           1HE      MET  26 -10.698   8.716   9.887
  702    HE3  MET  26           2HE      MET  26  -9.650   7.589   9.025
  703    H    GLU  27           H        GLU  27 -11.264   0.596  11.016
  704    HA   GLU  27           HA       GLU  27 -12.007   0.318  13.722
  705    HB2  GLU  27           2HB      GLU  27 -13.180  -0.737  11.765
  706    HB3  GLU  27           1HB      GLU  27 -11.850  -1.882  11.650
  707    HG2  GLU  27           2HG      GLU  27 -13.756  -2.846  12.811
  708    HG3  GLU  27           1HG      GLU  27 -12.354  -2.719  13.875
  709    H    ILE  28           H        ILE  28  -9.423  -1.097  11.799
  710    HA   ILE  28           HA       ILE  28  -8.250  -2.652  13.859
  711    HB   ILE  28           HB       ILE  28  -7.014  -1.420  11.382
  712   HG12  ILE  28          2HG1      ILE  28  -7.964  -4.241  11.935
  713   HG13  ILE  28          1HG1      ILE  28  -8.829  -3.049  10.970
  714   HG21  ILE  28          1HG2      ILE  28  -5.183  -3.018  11.683
  715   HG22  ILE  28          2HG2      ILE  28  -5.893  -3.537  13.212
  716   HG23  ILE  28          3HG2      ILE  28  -5.291  -1.888  13.034
  717   HD11  ILE  28          3HD1      ILE  28  -6.139  -4.244  10.333
  718   HD12  ILE  28          1HD1      ILE  28  -6.966  -3.015   9.375
  719   HD13  ILE  28          2HD1      ILE  28  -7.673  -4.621   9.546
  720    H    ALA  29           H        ALA  29  -7.990   0.669  12.843
  721    HA   ALA  29           HA       ALA  29  -5.683   1.415  14.280
  722    HB1  ALA  29           1HB      ALA  29  -6.426   3.705  13.890
  723    HB2  ALA  29           2HB      ALA  29  -8.013   3.112  13.397
  724    HB3  ALA  29           3HB      ALA  29  -6.589   2.726  12.431
  725    H    LYS  30           H        LYS  30  -9.025   1.124  15.132
  726    HA   LYS  30           HA       LYS  30  -8.763   2.507  17.656
  727    HB2  LYS  30           2HB      LYS  30 -10.853   2.412  16.207
  728    HB3  LYS  30           1HB      LYS  30 -10.995   0.728  16.709
  729    HG2  LYS  30           2HG      LYS  30 -11.283   1.378  19.001
  730    HG3  LYS  30           1HG      LYS  30 -10.987   3.071  18.597
  731    HD2  LYS  30           2HD      LYS  30 -13.357   2.742  18.817
  732    HD3  LYS  30           1HD      LYS  30 -12.983   3.004  17.113
  733    HE2  LYS  30           2HE      LYS  30 -13.029   0.541  16.784
  734    HE3  LYS  30           1HE      LYS  30 -13.533   0.363  18.463
  735    HZ1  LYS  30           3HZ      LYS  30 -15.446   0.289  17.076
  736    HZ2  LYS  30           1HZ      LYS  30 -15.014   1.724  16.283
  737    HZ3  LYS  30           2HZ      LYS  30 -15.481   1.760  17.915
  738    H    GLU  31           H        GLU  31  -9.552  -0.777  16.615
  739    HA   GLU  31           HA       GLU  31  -9.649  -1.871  19.182
  740    HB2  GLU  31           2HB      GLU  31 -10.674  -2.847  17.139
  741    HB3  GLU  31           1HB      GLU  31  -9.070  -3.329  16.606
  742    HG2  GLU  31           2HG      GLU  31  -8.881  -4.628  18.761
  743    HG3  GLU  31           1HG      GLU  31 -10.601  -4.320  18.989
  744    H    LYS  32           H        LYS  32  -7.009  -1.723  16.827
  745    HA   LYS  32           HA       LYS  32  -5.302  -3.283  18.616
  746    HB2  LYS  32           2HB      LYS  32  -4.904  -2.360  15.770
  747    HB3  LYS  32           1HB      LYS  32  -3.674  -3.200  16.696
  748    HG2  LYS  32           2HG      LYS  32  -4.692  -4.808  15.308
  749    HG3  LYS  32           1HG      LYS  32  -5.298  -5.103  16.936
  750    HD2  LYS  32           2HD      LYS  32  -7.404  -4.147  16.428
  751    HD3  LYS  32           1HD      LYS  32  -6.805  -3.453  14.921
  752    HE2  LYS  32           2HE      LYS  32  -8.185  -5.396  14.468
  753    HE3  LYS  32           1HE      LYS  32  -6.514  -5.708  14.005
  754    HZ1  LYS  32           3HZ      LYS  32  -7.845  -6.652  16.493
  755    HZ2  LYS  32           1HZ      LYS  32  -6.221  -6.938  16.077
  756    HZ3  LYS  32           2HZ      LYS  32  -7.464  -7.599  15.138
  757    H    ASN  33           H        ASN  33  -6.070  -0.121  18.067
  758    HA   ASN  33           HA       ASN  33  -5.191   1.900  18.568
  759    HB2  ASN  33           2HB      ASN  33  -4.745   0.621  20.753
  760    HB3  ASN  33           1HB      ASN  33  -3.074   0.515  20.210
  761   HD21  ASN  33          1HD2      ASN  33  -5.599   2.621  21.319
  762   HD22  ASN  33          2HD2      ASN  33  -4.599   3.998  21.623
  763    H    LEU  34           H        LEU  34  -4.532   1.237  16.186
  764    HA   LEU  34           HA       LEU  34  -1.691   1.940  15.851
  765    HB2  LEU  34           2HB      LEU  34  -3.316  -0.055  14.268
  766    HB3  LEU  34           1HB      LEU  34  -1.763   0.568  13.741
  767    HG   LEU  34           HG       LEU  34  -2.197  -0.989  16.285
  768   HD11  LEU  34          1HD1      LEU  34  -1.110  -2.834  15.099
  769   HD12  LEU  34          2HD1      LEU  34  -1.101  -1.870  13.620
  770   HD13  LEU  34          3HD1      LEU  34  -2.633  -2.370  14.338
  771   HD21  LEU  34          3HD2      LEU  34  -0.289   0.529  16.366
  772   HD22  LEU  34          1HD2      LEU  34   0.320  -0.143  14.855
  773   HD23  LEU  34          2HD2      LEU  34   0.242  -1.152  16.300
  774    H    THR  35           H        THR  35  -1.294   2.964  13.642
  775    HA   THR  35           HA       THR  35  -3.740   4.295  12.677
  776    HB   THR  35           HB       THR  35  -2.324   5.875  11.510
  777    HG1  THR  35           1HG      THR  35  -0.058   4.480  12.574
  778   HG21  THR  35          3HG2      THR  35  -1.344   5.462  14.336
  779   HG22  THR  35          1HG2      THR  35  -2.781   6.367  13.855
  780   HG23  THR  35          2HG2      THR  35  -1.180   6.948  13.400
  781    H    LEU  36           H        LEU  36  -4.173   4.274  10.398
  782    HA   LEU  36           HA       LEU  36  -3.848   1.785   9.178
  783    HB2  LEU  36           2HB      LEU  36  -4.859   2.725   7.241
  784    HB3  LEU  36           1HB      LEU  36  -5.622   3.434   8.649
  785    HG   LEU  36           HG       LEU  36  -3.476   4.837   7.056
  786   HD11  LEU  36          1HD1      LEU  36  -5.452   4.316   5.668
  787   HD12  LEU  36          2HD1      LEU  36  -5.241   6.045   5.944
  788   HD13  LEU  36          3HD1      LEU  36  -6.466   5.152   6.844
  789   HD21  LEU  36          3HD2      LEU  36  -5.507   5.828   9.063
  790   HD22  LEU  36          1HD2      LEU  36  -4.402   6.844   8.138
  791   HD23  LEU  36          2HD2      LEU  36  -3.765   5.698   9.315
  792    H    SER  37           H        SER  37  -1.958   4.720   8.942
  793    HA   SER  37           HA       SER  37  -0.201   4.039   6.903
  794    HB2  SER  37           2HB      SER  37   1.347   5.426   8.730
  795    HB3  SER  37           1HB      SER  37   0.301   6.161   7.510
  796    HG   SER  37           HG       SER  37  -0.244   5.660  10.251
  797    H    ASP  38           H        ASP  38  -0.168   3.165  10.332
  798    HA   ASP  38           HA       ASP  38   2.361   1.899  10.334
  799    HB2  ASP  38           2HB      ASP  38  -0.048   1.542  12.124
  800    HB3  ASP  38           1HB      ASP  38   1.463   0.677  12.375
  801    H    VAL  39           H        VAL  39  -0.928   0.636   9.985
  802    HA   VAL  39           HA       VAL  39  -0.244  -2.083   9.918
  803    HB   VAL  39           HB       VAL  39  -2.590  -0.804   8.500
  804   HG11  VAL  39          1HG1      VAL  39  -2.172  -3.589   9.580
  805   HG12  VAL  39          2HG1      VAL  39  -2.261  -3.119   7.881
  806   HG13  VAL  39          3HG1      VAL  39  -3.683  -2.970   8.914
  807   HG21  VAL  39          3HG2      VAL  39  -2.559  -0.038  10.789
  808   HG22  VAL  39          1HG2      VAL  39  -2.321  -1.686  11.373
  809   HG23  VAL  39          2HG2      VAL  39  -3.837  -1.238  10.592
  810    H    CYS  40           H        CYS  40  -0.430   0.321   7.336
  811    HA   CYS  40           HA       CYS  40  -0.208  -1.506   5.201
  812    HB2  CYS  40           2HB      CYS  40  -0.765   1.127   5.338
  813    HB3  CYS  40           1HB      CYS  40   0.912   1.227   4.839
  814    HG   CYS  40           HG       CYS  40  -0.213  -0.929   2.838
  815    H    ARG  41           H        ARG  41   2.327   0.692   6.493
  816    HA   ARG  41           HA       ARG  41   4.427  -0.577   5.149
  817    HB2  ARG  41           2HB      ARG  41   5.927   0.637   6.722
  818    HB3  ARG  41           1HB      ARG  41   4.746   1.648   5.909
  819    HG2  ARG  41           2HG      ARG  41   4.623   2.482   8.018
  820    HG3  ARG  41           1HG      ARG  41   3.369   1.247   8.107
  821    HD2  ARG  41           2HD      ARG  41   4.889  -0.280   9.195
  822    HD3  ARG  41           1HD      ARG  41   6.223   0.860   8.983
  823    HE   ARG  41           HE       ARG  41   3.944   1.830  10.498
  824   HH11  ARG  41          1HH1      ARG  41   7.134   0.378  10.629
  825   HH12  ARG  41          2HH1      ARG  41   7.441   0.900  12.254
  826   HH21  ARG  41          1HH2      ARG  41   4.351   2.530  12.622
  827   HH22  ARG  41          2HH2      ARG  41   5.877   2.145  13.372
  828    H    LEU  42           H        LEU  42   3.050  -1.320   8.328
  829    HA   LEU  42           HA       LEU  42   5.137  -3.092   9.115
  830    HB2  LEU  42           2HB      LEU  42   2.239  -2.916   9.945
  831    HB3  LEU  42           1HB      LEU  42   3.365  -4.065  10.644
  832    HG   LEU  42           HG       LEU  42   3.646  -1.058  10.768
  833   HD11  LEU  42          1HD1      LEU  42   1.774  -1.851  12.108
  834   HD12  LEU  42          2HD1      LEU  42   3.102  -1.322  13.140
  835   HD13  LEU  42          3HD1      LEU  42   2.816  -3.044  12.885
  836   HD21  LEU  42          3HD2      LEU  42   5.246  -3.269  12.062
  837   HD22  LEU  42          1HD2      LEU  42   5.433  -1.545  12.385
  838   HD23  LEU  42          2HD2      LEU  42   5.799  -2.186  10.784
  839    H    ALA  43           H        ALA  43   2.270  -3.391   7.173
  840    HA   ALA  43           HA       ALA  43   2.336  -6.215   6.935
  841    HB1  ALA  43           1HB      ALA  43   1.121  -4.187   5.066
  842    HB2  ALA  43           2HB      ALA  43   0.325  -4.877   6.481
  843    HB3  ALA  43           3HB      ALA  43   0.760  -5.910   5.119
  844    H    ILE  44           H        ILE  44   4.050  -3.598   5.402
  845    HA   ILE  44           HA       ILE  44   5.000  -4.997   3.122
  846    HB   ILE  44           HB       ILE  44   6.396  -2.764   4.622
  847   HG12  ILE  44          2HG1      ILE  44   4.539  -2.649   2.239
  848   HG13  ILE  44          1HG1      ILE  44   4.166  -2.079   3.864
  849   HG21  ILE  44          1HG2      ILE  44   7.595  -2.385   2.540
  850   HG22  ILE  44          2HG2      ILE  44   6.747  -3.735   1.789
  851   HG23  ILE  44          3HG2      ILE  44   7.866  -4.028   3.121
  852   HD11  ILE  44          3HD1      ILE  44   5.956  -0.415   3.680
  853   HD12  ILE  44          1HD1      ILE  44   4.742  -0.221   2.415
  854   HD13  ILE  44          2HD1      ILE  44   6.295  -0.970   2.041
  855    H    LYS  45           H        LYS  45   6.246  -4.527   6.391
  856    HA   LYS  45           HA       LYS  45   8.655  -5.881   6.152
  857    HB2  LYS  45           2HB      LYS  45   8.002  -4.624   8.173
  858    HB3  LYS  45           1HB      LYS  45   6.790  -5.847   8.535
  859    HG2  LYS  45           2HG      LYS  45   8.768  -7.495   8.546
  860    HG3  LYS  45           1HG      LYS  45   9.774  -6.052   8.682
  861    HD2  LYS  45           2HD      LYS  45   7.542  -6.822  10.564
  862    HD3  LYS  45           1HD      LYS  45   9.264  -7.047  10.870
  863    HE2  LYS  45           2HE      LYS  45   9.597  -4.619  10.727
  864    HE3  LYS  45           1HE      LYS  45   7.867  -4.405  10.451
  865    HZ1  LYS  45           3HZ      LYS  45   8.403  -4.020  12.760
  866    HZ2  LYS  45           1HZ      LYS  45   9.127  -5.551  12.888
  867    HZ3  LYS  45           2HZ      LYS  45   7.453  -5.420  12.626
  868    H    GLU  46           H        GLU  46   5.446  -7.117   6.978
  869    HA   GLU  46           HA       GLU  46   6.293  -9.826   7.252
  870    HB2  GLU  46           2HB      GLU  46   4.303  -8.831   8.379
  871    HB3  GLU  46           1HB      GLU  46   3.509  -8.730   6.814
  872    HG2  GLU  46           2HG      GLU  46   3.519 -11.125   6.605
  873    HG3  GLU  46           1HG      GLU  46   4.447 -11.280   8.099
  874    H    TYR  47           H        TYR  47   5.176  -7.814   4.663
  875    HA   TYR  47           HA       TYR  47   4.464  -9.758   2.786
  876    HB2  TYR  47           2HB      TYR  47   3.992  -7.341   2.550
  877    HB3  TYR  47           1HB      TYR  47   5.707  -7.033   2.325
  878    HD1  TYR  47           1HD      TYR  47   6.798  -7.599   0.209
  879    HD2  TYR  47           2HD      TYR  47   2.645  -8.303   0.784
  880    HE1  TYR  47           1HE      TYR  47   6.512  -7.871  -2.219
  881    HE2  TYR  47           2HE      TYR  47   2.349  -8.584  -1.639
  882    HH   TYR  47           HH       TYR  47   3.532  -7.829  -3.738
  883    H    LEU  48           H        LEU  48   7.535  -8.150   3.451
  884    HA   LEU  48           HA       LEU  48   9.063  -9.617   1.561
  885    HB2  LEU  48           2HB      LEU  48  10.085  -8.307   4.079
  886    HB3  LEU  48           1HB      LEU  48  10.992  -8.660   2.622
  887    HG   LEU  48           HG       LEU  48   8.799  -6.605   2.893
  888   HD11  LEU  48          1HD1      LEU  48  11.771  -6.293   2.513
  889   HD12  LEU  48          2HD1      LEU  48  10.873  -5.960   3.994
  890   HD13  LEU  48          3HD1      LEU  48  10.586  -4.987   2.551
  891   HD21  LEU  48          3HD2      LEU  48  10.536  -7.274   0.518
  892   HD22  LEU  48          1HD2      LEU  48   9.374  -5.949   0.617
  893   HD23  LEU  48          2HD2      LEU  48   8.813  -7.621   0.667
  894    H    ASP  49           H        ASP  49   8.632  -9.894   5.050
  895    HA   ASP  49           HA       ASP  49  10.490 -11.915   5.527
  896    HB2  ASP  49           2HB      ASP  49   9.421 -10.428   7.227
  897    HB3  ASP  49           1HB      ASP  49   7.961 -11.399   7.095
  898    H    ASN  50           H        ASN  50   7.071 -12.151   4.628
  899    HA   ASN  50           HA       ASN  50   7.023 -14.975   5.210
  900    HB2  ASN  50           2HB      ASN  50   4.755 -14.880   4.996
  901    HB3  ASN  50           1HB      ASN  50   5.062 -13.169   5.260
  902   HD21  ASN  50          1HD2      ASN  50   4.752 -11.729   3.624
  903   HD22  ASN  50          2HD2      ASN  50   3.947 -12.148   2.148
  904    H    HIS  51           H        HIS  51   7.874 -13.056   2.516
  905    HA   HIS  51           HA       HIS  51   7.315 -15.152   0.578
  906    HB2  HIS  51           2HB      HIS  51   8.529 -12.403   0.326
  907    HB3  HIS  51           1HB      HIS  51   8.512 -13.545  -1.013
  908    HD1  HIS  51           1HD      HIS  51   7.062 -11.154  -1.724
  909    HD2  HIS  51           2HD      HIS  51   5.232 -14.140   0.527
  910    HE1  HIS  51           1HE      HIS  51   4.587 -10.807  -2.006
  911    HE2  HIS  51           2HE      HIS  51   3.497 -12.507  -0.497
  912    H    ASP  52           H        ASP  52  10.174 -13.500   1.905
  913    HA   ASP  52           HA       ASP  52  11.787 -15.791   1.020
  914    HB2  ASP  52           2HB      ASP  52  12.583 -13.449   0.478
  915    HB3  ASP  52           1HB      ASP  52  12.796 -13.200   2.209
  916    H    LYS  53           H        LYS  53  11.505 -17.346   2.481
  917    HA   LYS  53           HA       LYS  53  11.059 -16.712   5.266
  918    HB2  LYS  53           2HB      LYS  53  11.155 -19.362   3.818
  919    HB3  LYS  53           1HB      LYS  53  10.664 -19.140   5.490
  920    HG2  LYS  53           2HG      LYS  53   8.737 -17.869   4.815
  921    HG3  LYS  53           1HG      LYS  53   9.270 -17.889   3.132
  922    HD2  LYS  53           2HD      LYS  53   9.017 -20.313   3.066
  923    HD3  LYS  53           1HD      LYS  53   8.536 -20.324   4.762
  924    HE2  LYS  53           2HE      LYS  53   6.609 -20.501   3.250
  925    HE3  LYS  53           1HE      LYS  53   6.546 -19.043   4.237
  926    HZ1  LYS  53           3HZ      LYS  53   7.031 -17.701   2.434
  927    HZ2  LYS  53           1HZ      LYS  53   6.016 -18.871   1.750
  928    HZ3  LYS  53           2HZ      LYS  53   7.696 -18.965   1.519
  929    H    GLN  54           H        GLN  54  13.749 -17.226   3.374
  930    HA   GLN  54           HA       GLN  54  15.311 -18.514   5.465
  931    HB2  GLN  54           2HB      GLN  54  16.270 -17.410   2.820
  932    HB3  GLN  54           1HB      GLN  54  17.143 -18.492   3.898
  933    HG2  GLN  54           2HG      GLN  54  14.663 -19.127   2.316
  934    HG3  GLN  54           1HG      GLN  54  16.294 -19.726   2.025
  935   HE21  GLN  54          1HE2      GLN  54  17.145 -21.315   3.374
  936   HE22  GLN  54          2HE2      GLN  54  16.141 -22.253   4.434
  937    H    LYS  55           H        LYS  55  15.951 -17.275   7.101
  938    HA   LYS  55           HA       LYS  55  16.486 -14.420   6.559
  939    HB2  LYS  55           2HB      LYS  55  15.927 -15.439   9.319
  940    HB3  LYS  55           1HB      LYS  55  15.616 -13.852   8.636
  941    HG2  LYS  55           2HG      LYS  55  14.053 -16.370   8.097
  942    HG3  LYS  55           1HG      LYS  55  13.542 -15.007   9.091
  943    HD2  LYS  55           2HD      LYS  55  14.139 -14.856   6.138
  944    HD3  LYS  55           1HD      LYS  55  12.526 -15.031   6.826
  945    HE2  LYS  55           2HE      LYS  55  12.779 -12.902   7.985
  946    HE3  LYS  55           1HE      LYS  55  14.410 -12.734   7.330
  947    HZ1  LYS  55           3HZ      LYS  55  12.726 -11.475   6.077
  948    HZ2  LYS  55           1HZ      LYS  55  11.958 -12.934   5.678
  949    HZ3  LYS  55           2HZ      LYS  55  13.531 -12.630   5.127
  950    H    LYS  56           H        LYS  56  17.338 -17.021   8.792
  951    HA   LYS  56           HA       LYS  56  20.165 -16.451   8.471
  952    HB2  LYS  56           2HB      LYS  56  19.513 -15.033  10.373
  953    HB3  LYS  56           1HB      LYS  56  18.804 -16.428  11.173
  954    HG2  LYS  56           2HG      LYS  56  20.971 -17.459  11.398
  955    HG3  LYS  56           1HG      LYS  56  21.720 -16.149  10.481
  956    HD2  LYS  56           2HD      LYS  56  22.041 -15.905  12.913
  957    HD3  LYS  56           1HD      LYS  56  21.140 -14.559  12.215
  958    HE2  LYS  56           2HE      LYS  56  19.048 -15.556  12.977
  959    HE3  LYS  56           1HE      LYS  56  19.937 -16.926  13.646
  960    HZ1  LYS  56           3HZ      LYS  56  20.336 -14.112  14.506
  961    HZ2  LYS  56           1HZ      LYS  56  20.974 -15.508  15.232
  962    HZ3  LYS  56           2HZ      LYS  56  19.307 -15.208  15.295
  Start of MODEL    3
    1    H1   GLY   2           1HT      GLY   2 -21.178  20.424  -1.493
    2    H2   GLY   2           2HT      GLY   2 -20.076  19.330  -2.170
    3    H3   GLY   2           3HT      GLY   2 -19.564  20.419  -0.976
    4    HA2  GLY   2           1HA      GLY   2 -20.968  19.344   0.658
    5    HA3  GLY   2           2HA      GLY   2 -21.519  18.224  -0.583
    6    H    ARG   3           H        ARG   3 -20.626  16.827   1.297
    7    HA   ARG   3           HA       ARG   3 -17.786  16.257   0.731
    8    HB2  ARG   3           2HB      ARG   3 -19.321  15.956   3.317
    9    HB3  ARG   3           1HB      ARG   3 -17.717  15.293   3.052
   10    HG2  ARG   3           2HG      ARG   3 -16.783  17.485   2.806
   11    HG3  ARG   3           1HG      ARG   3 -18.390  18.219   2.860
   12    HD2  ARG   3           2HD      ARG   3 -18.693  17.528   5.129
   13    HD3  ARG   3           1HD      ARG   3 -17.209  16.578   5.093
   14    HE   ARG   3           HE       ARG   3 -16.424  19.145   4.526
   15   HH11  ARG   3          1HH1      ARG   3 -18.220  17.638   7.144
   16   HH12  ARG   3          2HH1      ARG   3 -17.563  18.688   8.359
   17   HH21  ARG   3          1HH2      ARG   3 -15.575  20.531   6.131
   18   HH22  ARG   3          2HH2      ARG   3 -16.057  20.330   7.789
   19    HA   PRO   4           HA       PRO   4 -20.041  12.507  -0.554
   20    HB2  PRO   4           2HB      PRO   4 -18.358  11.797  -2.530
   21    HB3  PRO   4           1HB      PRO   4 -19.565  13.072  -2.740
   22    HG2  PRO   4           2HG      PRO   4 -16.636  13.319  -2.171
   23    HG3  PRO   4           1HG      PRO   4 -17.638  14.249  -3.301
   24    HD2  PRO   4           2HD      PRO   4 -16.924  15.149  -0.819
   25    HD3  PRO   4           1HD      PRO   4 -18.404  15.650  -1.658
   26    H    TYR   5           H        TYR   5 -16.916  13.104   0.642
   27    HA   TYR   5           HA       TYR   5 -15.387  11.925   1.816
   28    HB2  TYR   5           2HB      TYR   5 -17.605   9.885   2.095
   29    HB3  TYR   5           1HB      TYR   5 -16.122   9.921   3.044
   30    HD1  TYR   5           1HD      TYR   5 -15.689  12.277   4.234
   31    HD2  TYR   5           2HD      TYR   5 -19.496  10.797   3.051
   32    HE1  TYR   5           1HE      TYR   5 -16.768  13.750   5.881
   33    HE2  TYR   5           2HE      TYR   5 -20.584  12.268   4.691
   34    HH   TYR   5           HH       TYR   5 -19.979  13.383   6.832
   35    H    LYS   6           H        LYS   6 -16.054  11.321  -1.139
   36    HA   LYS   6           HA       LYS   6 -14.855   8.680  -1.426
   37    HB2  LYS   6           2HB      LYS   6 -15.767  10.561  -3.611
   38    HB3  LYS   6           1HB      LYS   6 -15.467   8.835  -3.746
   39    HG2  LYS   6           2HG      LYS   6 -17.651  10.049  -2.074
   40    HG3  LYS   6           1HG      LYS   6 -17.865   9.450  -3.718
   41    HD2  LYS   6           2HD      LYS   6 -17.202   7.216  -3.002
   42    HD3  LYS   6           1HD      LYS   6 -16.937   7.811  -1.361
   43    HE2  LYS   6           2HE      LYS   6 -19.262   8.314  -1.098
   44    HE3  LYS   6           1HE      LYS   6 -19.581   7.971  -2.798
   45    HZ1  LYS   6           3HZ      LYS   6 -18.972   5.662  -2.395
   46    HZ2  LYS   6           1HZ      LYS   6 -20.271   6.136  -1.414
   47    HZ3  LYS   6           2HZ      LYS   6 -18.714   5.999  -0.752
   48    H    LEU   7           H        LEU   7 -14.345  12.009  -2.533
   49    HA   LEU   7           HA       LEU   7 -12.550  13.128  -3.328
   50    HB2  LEU   7           2HB      LEU   7 -11.806  12.617  -0.981
   51    HB3  LEU   7           1HB      LEU   7 -10.940  11.232  -1.616
   52    HG   LEU   7           HG       LEU   7  -9.543  12.744  -2.983
   53   HD11  LEU   7          1HD1      LEU   7 -11.123  14.568  -3.275
   54   HD12  LEU   7          2HD1      LEU   7  -9.618  15.156  -2.567
   55   HD13  LEU   7          3HD1      LEU   7 -11.043  14.932  -1.553
   56   HD21  LEU   7          3HD2      LEU   7  -9.609  13.440  -0.048
   57   HD22  LEU   7          1HD2      LEU   7  -8.248  13.696  -1.140
   58   HD23  LEU   7          2HD2      LEU   7  -8.783  12.058  -0.765
   59    H    LEU   8           H        LEU   8 -13.471  11.504  -5.115
   60    HA   LEU   8           HA       LEU   8 -13.069  10.345  -7.022
   61    HB2  LEU   8           2HB      LEU   8 -10.219  11.217  -6.539
   62    HB3  LEU   8           1HB      LEU   8 -10.845  10.577  -8.047
   63    HG   LEU   8           HG       LEU   8 -11.715  13.160  -6.750
   64   HD11  LEU   8          1HD1      LEU   8 -10.573  14.232  -8.624
   65   HD12  LEU   8          2HD1      LEU   8 -10.011  12.656  -9.182
   66   HD13  LEU   8          3HD1      LEU   8  -9.455  13.292  -7.636
   67   HD21  LEU   8          3HD2      LEU   8 -12.924  13.546  -8.848
   68   HD22  LEU   8          1HD2      LEU   8 -13.527  12.121  -8.000
   69   HD23  LEU   8          2HD2      LEU   8 -12.473  11.933  -9.401
   70    H    ASN   9           H        ASN   9 -13.026   8.952  -4.541
   71    HA   ASN   9           HA       ASN   9 -12.558   6.952  -3.603
   72    HB2  ASN   9           2HB      ASN   9 -12.100   6.321  -6.512
   73    HB3  ASN   9           1HB      ASN   9 -11.926   5.094  -5.259
   74   HD21  ASN   9          1HD2      ASN   9 -14.133   7.148  -6.971
   75   HD22  ASN   9          2HD2      ASN   9 -15.589   6.392  -6.424
   76    H    GLY  10           H        GLY  10 -10.665   8.619  -3.023
   77    HA2  GLY  10           2HA      GLY  10  -8.379   6.920  -2.667
   78    HA3  GLY  10           1HA      GLY  10  -8.052   8.274  -3.745
   79    H    ILE  11           H        ILE  11  -7.301   7.472  -0.862
   80    HA   ILE  11           HA       ILE  11  -7.842  10.117   0.312
   81    HB   ILE  11           HB       ILE  11  -7.927   7.549   1.912
   82   HG12  ILE  11          2HG1      ILE  11  -9.891   7.750   0.391
   83   HG13  ILE  11          1HG1      ILE  11 -10.320   7.801   2.098
   84   HG21  ILE  11          1HG2      ILE  11  -8.754   8.963   3.718
   85   HG22  ILE  11          2HG2      ILE  11  -8.627  10.380   2.677
   86   HG23  ILE  11          3HG2      ILE  11  -7.173   9.506   3.160
   87   HD11  ILE  11          3HD1      ILE  11 -10.101  10.166   0.248
   88   HD12  ILE  11          1HD1      ILE  11 -10.520  10.237   1.959
   89   HD13  ILE  11          2HD1      ILE  11 -11.593   9.422   0.819
   90    H    LYS  12           H        LYS  12  -6.112  10.943   1.544
   91    HA   LYS  12           HA       LYS  12  -3.601   9.574   0.887
   92    HB2  LYS  12           2HB      LYS  12  -3.818  11.815  -0.036
   93    HB3  LYS  12           1HB      LYS  12  -4.151  12.469   1.558
   94    HG2  LYS  12           2HG      LYS  12  -1.883  12.971   0.926
   95    HG3  LYS  12           1HG      LYS  12  -1.882  11.831   2.270
   96    HD2  LYS  12           2HD      LYS  12  -0.215  11.162   0.664
   97    HD3  LYS  12           1HD      LYS  12  -1.533   9.991   0.653
   98    HE2  LYS  12           2HE      LYS  12  -0.845  10.472  -1.615
   99    HE3  LYS  12           1HE      LYS  12  -2.470  11.088  -1.337
  100    HZ1  LYS  12           3HZ      LYS  12  -1.512  13.308  -1.014
  101    HZ2  LYS  12           1HZ      LYS  12  -1.164  12.684  -2.552
  102    HZ3  LYS  12           2HZ      LYS  12   0.032  12.692  -1.354
  103    H    LEU  13           H        LEU  13  -2.320   8.820   2.371
  104    HA   LEU  13           HA       LEU  13  -2.704   9.635   5.164
  105    HB2  LEU  13           2HB      LEU  13  -1.866   7.248   5.671
  106    HB3  LEU  13           1HB      LEU  13  -3.536   7.462   5.187
  107    HG   LEU  13           HG       LEU  13  -1.506   6.783   3.097
  108   HD11  LEU  13          1HD1      LEU  13  -2.783   4.797   4.977
  109   HD12  LEU  13          2HD1      LEU  13  -1.063   5.175   4.871
  110   HD13  LEU  13          3HD1      LEU  13  -1.880   4.396   3.515
  111   HD21  LEU  13          3HD2      LEU  13  -4.421   6.110   3.499
  112   HD22  LEU  13          1HD2      LEU  13  -3.439   5.622   2.118
  113   HD23  LEU  13          2HD2      LEU  13  -3.774   7.332   2.400
  114    H    GLY  14           H        GLY  14  -0.874   9.987   6.351
  115    HA2  GLY  14           2HA      GLY  14   1.562  10.222   4.720
  116    HA3  GLY  14           1HA      GLY  14   1.192  11.174   6.148
  117    H    VAL  15           H        VAL  15   2.786   8.463   4.932
  118    HA   VAL  15           HA       VAL  15   3.010   7.222   7.592
  119    HB   VAL  15           HB       VAL  15   3.895   6.037   4.955
  120   HG11  VAL  15          1HG1      VAL  15   3.692   3.902   6.168
  121   HG12  VAL  15          2HG1      VAL  15   3.298   4.797   7.635
  122   HG13  VAL  15          3HG1      VAL  15   4.885   4.983   6.888
  123   HG21  VAL  15          3HG2      VAL  15   1.238   5.681   6.335
  124   HG22  VAL  15          1HG2      VAL  15   1.794   4.784   4.921
  125   HG23  VAL  15          2HG2      VAL  15   1.514   6.522   4.809
  126    H    TYR  16           H        TYR  16   5.136   6.515   8.285
  127    HA   TYR  16           HA       TYR  16   7.395   7.813   6.947
  128    HB2  TYR  16           2HB      TYR  16   6.530   8.118   9.773
  129    HB3  TYR  16           1HB      TYR  16   8.258   7.950   9.483
  130    HD1  TYR  16           2HD      TYR  16   5.283   9.981   8.610
  131    HD2  TYR  16           1HD      TYR  16   9.525   9.732   8.653
  132    HE1  TYR  16           2HE      TYR  16   5.425  12.338   7.958
  133    HE2  TYR  16           1HE      TYR  16   9.678  12.088   7.988
  134    HH   TYR  16           HH       TYR  16   8.379  13.787   6.936
  135    H    ILE  17           H        ILE  17   9.156   6.579   6.734
  136    HA   ILE  17           HA       ILE  17   9.272   4.047   8.211
  137    HB   ILE  17           HB       ILE  17   9.839   2.796   6.189
  138   HG12  ILE  17          2HG1      ILE  17   9.179   5.341   4.698
  139   HG13  ILE  17          1HG1      ILE  17  10.788   4.646   4.874
  140   HG21  ILE  17          1HG2      ILE  17   7.618   2.773   5.132
  141   HG22  ILE  17          2HG2      ILE  17   7.222   4.279   5.961
  142   HG23  ILE  17          3HG2      ILE  17   7.520   2.813   6.894
  143   HD11  ILE  17          3HD1      ILE  17   9.852   4.145   2.698
  144   HD12  ILE  17          1HD1      ILE  17   8.458   3.377   3.459
  145   HD13  ILE  17          2HD1      ILE  17  10.064   2.669   3.643
  146    HA   PRO  18           HA       PRO  18  13.578   4.820   8.858
  147    HB2  PRO  18           2HB      PRO  18  13.939   2.001   7.953
  148    HB3  PRO  18           1HB      PRO  18  14.534   2.800   9.412
  149    HG2  PRO  18           2HG      PRO  18  12.459   1.141   9.519
  150    HG3  PRO  18           1HG      PRO  18  12.494   2.619  10.499
  151    HD2  PRO  18           2HD      PRO  18  10.961   2.023   8.015
  152    HD3  PRO  18           1HD      PRO  18  10.503   3.014   9.414
  153    H    GLN  19           H        GLN  19  15.444   5.263   7.741
  154    HA   GLN  19           HA       GLN  19  15.131   5.989   5.070
  155    HB2  GLN  19           2HB      GLN  19  16.794   6.808   6.907
  156    HB3  GLN  19           1HB      GLN  19  17.841   5.546   6.280
  157    HG2  GLN  19           2HG      GLN  19  16.656   7.681   4.536
  158    HG3  GLN  19           1HG      GLN  19  18.183   7.887   5.384
  159   HE21  GLN  19          1HE2      GLN  19  16.558   6.380   2.746
  160   HE22  GLN  19          2HE2      GLN  19  17.960   5.710   1.991
  161    H    GLU  20           H        GLU  20  17.155   3.368   6.419
  162    HA   GLU  20           HA       GLU  20  18.079   2.384   3.972
  163    HB2  GLU  20           2HB      GLU  20  17.708   0.997   6.625
  164    HB3  GLU  20           1HB      GLU  20  18.539   0.272   5.255
  165    HG2  GLU  20           2HG      GLU  20  19.339   2.808   6.664
  166    HG3  GLU  20           1HG      GLU  20  20.104   1.231   6.850
  167    H    TRP  21           H        TRP  21  15.026   1.882   5.542
  168    HA   TRP  21           HA       TRP  21  14.382  -0.484   4.010
  169    HB2  TRP  21           2HB      TRP  21  13.554  -0.253   6.306
  170    HB3  TRP  21           1HB      TRP  21  12.725   1.238   5.881
  171    HD1  TRP  21           HD       TRP  21  12.500  -1.888   3.656
  172    HE1  TRP  21           1HE      TRP  21  10.063  -2.716   3.682
  173    HE3  TRP  21           3HE      TRP  21  10.617   1.207   7.263
  174    HZ2  TRP  21           2HZ      TRP  21   7.662  -2.132   5.054
  175    HZ3  TRP  21           3HZ      TRP  21   8.242   1.007   7.871
  176    HH2  TRP  21           HH       TRP  21   6.787  -0.625   6.785
  177    H    HIS  22           H        HIS  22  13.600   2.946   4.085
  178    HA   HIS  22           HA       HIS  22  11.840   3.044   1.892
  179    HB2  HIS  22           2HB      HIS  22  12.232   4.932   3.457
  180    HB3  HIS  22           1HB      HIS  22  13.858   5.121   2.807
  181    HD1  HIS  22           1HD      HIS  22  14.006   6.045   0.304
  182    HD2  HIS  22           2HD      HIS  22  10.238   6.183   2.049
  183    HE1  HIS  22           1HE      HIS  22  12.658   7.608  -1.122
  184    HE2  HIS  22           2HE      HIS  22  10.449   7.816   0.045
  185    H    ASP  23           H        ASP  23  15.338   3.073   2.145
  186    HA   ASP  23           HA       ASP  23  15.970   3.788  -0.495
  187    HB2  ASP  23           2HB      ASP  23  17.554   3.863   1.399
  188    HB3  ASP  23           1HB      ASP  23  17.572   2.104   1.437
  189    H    ARG  24           H        ARG  24  15.683   0.563   1.007
  190    HA   ARG  24           HA       ARG  24  16.288  -0.783  -1.467
  191    HB2  ARG  24           2HB      ARG  24  15.385  -1.707   1.248
  192    HB3  ARG  24           1HB      ARG  24  15.346  -2.812  -0.117
  193    HG2  ARG  24           2HG      ARG  24  17.380  -3.097   1.179
  194    HG3  ARG  24           1HG      ARG  24  17.749  -2.507  -0.440
  195    HD2  ARG  24           2HD      ARG  24  18.069  -0.275   0.391
  196    HD3  ARG  24           1HD      ARG  24  17.530  -0.757   1.998
  197    HE   ARG  24           HE       ARG  24  19.727  -2.348   1.292
  198   HH11  ARG  24          1HH1      ARG  24  19.024   1.007   1.978
  199   HH12  ARG  24          2HH1      ARG  24  20.562   1.316   2.714
  200   HH21  ARG  24          1HH2      ARG  24  21.762  -1.947   2.208
  201   HH22  ARG  24          2HH2      ARG  24  22.148  -0.358   2.801
  202    H    LEU  25           H        LEU  25  13.416   0.272   0.186
  203    HA   LEU  25           HA       LEU  25  11.542  -1.110  -1.393
  204    HB2  LEU  25           2HB      LEU  25  11.469   1.377   0.264
  205    HB3  LEU  25           1HB      LEU  25  10.117   1.024  -0.801
  206    HG   LEU  25           HG       LEU  25  11.129  -0.713   1.452
  207   HD11  LEU  25          1HD1      LEU  25   8.577   0.851   1.115
  208   HD12  LEU  25          2HD1      LEU  25   9.904   1.241   2.208
  209   HD13  LEU  25          3HD1      LEU  25   8.954  -0.225   2.461
  210   HD21  LEU  25          3HD2      LEU  25   8.827  -1.168  -0.447
  211   HD22  LEU  25          1HD2      LEU  25   9.214  -2.156   0.962
  212   HD23  LEU  25          2HD2      LEU  25  10.332  -2.087  -0.400
  213    H    MET  26           H        MET  26  13.297   1.915  -1.867
  214    HA   MET  26           HA       MET  26  11.947   2.737  -4.203
  215    HB2  MET  26           2HB      MET  26  14.765   3.290  -3.277
  216    HB3  MET  26           1HB      MET  26  14.034   4.049  -4.684
  217    HG2  MET  26           2HG      MET  26  12.261   4.947  -3.189
  218    HG3  MET  26           1HG      MET  26  13.172   4.313  -1.817
  219    HE1  MET  26           3HE      MET  26  15.747   5.064  -1.339
  220    HE2  MET  26           1HE      MET  26  16.562   6.340  -2.241
  221    HE3  MET  26           2HE      MET  26  16.177   4.811  -3.031
  222    H    GLU  27           H        GLU  27  14.799   0.688  -3.726
  223    HA   GLU  27           HA       GLU  27  15.409   0.411  -6.465
  224    HB2  GLU  27           2HB      GLU  27  17.048  -0.183  -4.786
  225    HB3  GLU  27           1HB      GLU  27  15.990  -1.430  -4.138
  226    HG2  GLU  27           2HG      GLU  27  16.190  -2.700  -6.197
  227    HG3  GLU  27           1HG      GLU  27  17.204  -1.438  -6.896
  228    H    ILE  28           H        ILE  28  13.497  -1.597  -4.262
  229    HA   ILE  28           HA       ILE  28  12.692  -3.505  -6.183
  230    HB   ILE  28           HB       ILE  28  11.230  -2.583  -3.695
  231   HG12  ILE  28          2HG1      ILE  28  13.068  -4.948  -4.141
  232   HG13  ILE  28          1HG1      ILE  28  13.509  -3.468  -3.296
  233   HG21  ILE  28          1HG2      ILE  28  10.855  -5.076  -5.357
  234   HG22  ILE  28          2HG2      ILE  28   9.723  -3.730  -5.224
  235   HG23  ILE  28          3HG2      ILE  28  10.063  -4.739  -3.818
  236   HD11  ILE  28          3HD1      ILE  28  11.810  -3.943  -1.600
  237   HD12  ILE  28          1HD1      ILE  28  12.996  -5.242  -1.732
  238   HD13  ILE  28          2HD1      ILE  28  11.395  -5.436  -2.445
  239    H    ALA  29           H        ALA  29  11.466  -0.349  -5.309
  240    HA   ALA  29           HA       ALA  29   8.974  -0.452  -6.602
  241    HB1  ALA  29           1HB      ALA  29   9.583   1.258  -4.947
  242    HB2  ALA  29           2HB      ALA  29   8.976   1.970  -6.442
  243    HB3  ALA  29           3HB      ALA  29  10.707   1.967  -6.106
  244    H    LYS  30           H        LYS  30  12.191   0.387  -7.779
  245    HA   LYS  30           HA       LYS  30  11.222   1.383 -10.290
  246    HB2  LYS  30           2HB      LYS  30  13.997   0.668  -9.333
  247    HB3  LYS  30           1HB      LYS  30  13.659   1.334 -10.926
  248    HG2  LYS  30           2HG      LYS  30  12.731   3.344  -9.875
  249    HG3  LYS  30           1HG      LYS  30  13.109   2.676  -8.286
  250    HD2  LYS  30           2HD      LYS  30  15.474   2.654  -8.827
  251    HD3  LYS  30           1HD      LYS  30  15.128   3.230 -10.459
  252    HE2  LYS  30           2HE      LYS  30  14.233   5.306  -9.544
  253    HE3  LYS  30           1HE      LYS  30  14.540   4.726  -7.909
  254    HZ1  LYS  30           3HZ      LYS  30  16.892   4.709  -8.362
  255    HZ2  LYS  30           1HZ      LYS  30  16.258   6.248  -8.694
  256    HZ3  LYS  30           2HZ      LYS  30  16.629   5.191  -9.968
  257    H    GLU  31           H        GLU  31  12.373  -1.640  -9.042
  258    HA   GLU  31           HA       GLU  31  12.838  -2.943 -11.489
  259    HB2  GLU  31           2HB      GLU  31  13.620  -3.780  -9.299
  260    HB3  GLU  31           1HB      GLU  31  11.959  -4.151  -8.863
  261    HG2  GLU  31           2HG      GLU  31  11.837  -5.737 -10.730
  262    HG3  GLU  31           1HG      GLU  31  13.518  -5.385 -11.120
  263    H    LYS  32           H        LYS  32   9.916  -2.589  -9.516
  264    HA   LYS  32           HA       LYS  32   8.407  -4.213 -11.423
  265    HB2  LYS  32           2HB      LYS  32   7.768  -3.169  -8.681
  266    HB3  LYS  32           1HB      LYS  32   6.509  -3.796  -9.731
  267    HG2  LYS  32           2HG      LYS  32   7.046  -5.616  -8.424
  268    HG3  LYS  32           1HG      LYS  32   7.998  -5.900  -9.882
  269    HD2  LYS  32           2HD      LYS  32   9.975  -5.004  -8.779
  270    HD3  LYS  32           1HD      LYS  32   9.025  -4.653  -7.333
  271    HE2  LYS  32           2HE      LYS  32  10.168  -6.688  -6.916
  272    HE3  LYS  32           1HE      LYS  32   8.482  -7.101  -7.217
  273    HZ1  LYS  32           3HZ      LYS  32   9.744  -8.643  -8.428
  274    HZ2  LYS  32           1HZ      LYS  32  10.802  -7.454  -9.020
  275    HZ3  LYS  32           2HZ      LYS  32   9.204  -7.528  -9.588
  276    H    ASN  33           H        ASN  33   9.213  -1.033 -11.147
  277    HA   ASN  33           HA       ASN  33   8.424   0.928 -11.974
  278    HB2  ASN  33           2HB      ASN  33   6.712  -0.977 -13.567
  279    HB3  ASN  33           1HB      ASN  33   6.574   0.768 -13.746
  280   HD21  ASN  33          1HD2      ASN  33   8.541  -2.026 -14.324
  281   HD22  ASN  33          2HD2      ASN  33   9.687  -1.250 -15.358
  282    H    LEU  34           H        LEU  34   7.605   0.293  -9.534
  283    HA   LEU  34           HA       LEU  34   4.861   1.342  -9.372
  284    HB2  LEU  34           2HB      LEU  34   6.058  -0.903  -7.733
  285    HB3  LEU  34           1HB      LEU  34   4.563  -0.080  -7.319
  286    HG   LEU  34           HG       LEU  34   5.025  -1.664  -9.848
  287   HD11  LEU  34          1HD1      LEU  34   4.989  -3.083  -7.855
  288   HD12  LEU  34          2HD1      LEU  34   3.548  -3.321  -8.841
  289   HD13  LEU  34          3HD1      LEU  34   3.458  -2.360  -7.365
  290   HD21  LEU  34          3HD2      LEU  34   2.530  -0.399  -8.712
  291   HD22  LEU  34          1HD2      LEU  34   2.598  -1.435 -10.136
  292   HD23  LEU  34          2HD2      LEU  34   3.408   0.131 -10.147
  293    H    THR  35           H        THR  35   4.471   2.291  -7.111
  294    HA   THR  35           HA       THR  35   6.969   3.540  -6.195
  295    HB   THR  35           HB       THR  35   5.618   5.233  -5.101
  296    HG1  THR  35           1HG      THR  35   3.352   3.777  -6.080
  297   HG21  THR  35          3HG2      THR  35   6.122   5.607  -7.454
  298   HG22  THR  35          1HG2      THR  35   4.536   6.262  -7.050
  299   HG23  THR  35          2HG2      THR  35   4.664   4.731  -7.918
  300    H    LEU  36           H        LEU  36   7.286   3.747  -3.850
  301    HA   LEU  36           HA       LEU  36   6.929   1.342  -2.467
  302    HB2  LEU  36           2HB      LEU  36   7.775   2.455  -0.519
  303    HB3  LEU  36           1HB      LEU  36   8.662   3.011  -1.916
  304    HG   LEU  36           HG       LEU  36   6.406   4.595  -0.736
  305   HD11  LEU  36          1HD1      LEU  36   8.068   4.228   1.000
  306   HD12  LEU  36          2HD1      LEU  36   8.101   5.901   0.442
  307   HD13  LEU  36          3HD1      LEU  36   9.342   4.768  -0.095
  308   HD21  LEU  36          3HD2      LEU  36   7.073   5.189  -3.015
  309   HD22  LEU  36          1HD2      LEU  36   8.744   5.371  -2.477
  310   HD23  LEU  36          2HD2      LEU  36   7.498   6.460  -1.869
  311    H    SER  37           H        SER  37   4.994   4.243  -2.594
  312    HA   SER  37           HA       SER  37   3.163   3.747  -0.573
  313    HB2  SER  37           2HB      SER  37   2.548   4.947  -3.276
  314    HB3  SER  37           1HB      SER  37   1.714   5.259  -1.752
  315    HG   SER  37           HG       SER  37   3.086   6.833  -1.558
  316    H    ASP  38           H        ASP  38   3.254   2.575  -3.914
  317    HA   ASP  38           HA       ASP  38   0.799   1.175  -3.858
  318    HB2  ASP  38           2HB      ASP  38   3.282   0.816  -5.539
  319    HB3  ASP  38           1HB      ASP  38   1.844  -0.177  -5.747
  320    H    VAL  39           H        VAL  39   4.131   0.183  -3.200
  321    HA   VAL  39           HA       VAL  39   3.579  -2.547  -2.734
  322    HB   VAL  39           HB       VAL  39   5.806  -0.891  -1.529
  323   HG11  VAL  39          1HG1      VAL  39   5.552  -3.059  -0.456
  324   HG12  VAL  39          2HG1      VAL  39   7.028  -3.007  -1.418
  325   HG13  VAL  39          3HG1      VAL  39   5.609  -3.860  -2.027
  326   HG21  VAL  39          3HG2      VAL  39   5.771  -0.642  -3.949
  327   HG22  VAL  39          1HG2      VAL  39   5.726  -2.394  -4.147
  328   HG23  VAL  39          2HG2      VAL  39   7.150  -1.621  -3.451
  329    H    CYS  40           H        CYS  40   3.380   0.283  -0.686
  330    HA   CYS  40           HA       CYS  40   3.207  -1.091   1.789
  331    HB2  CYS  40           2HB      CYS  40   3.705   1.414   1.289
  332    HB3  CYS  40           1HB      CYS  40   1.957   1.612   1.258
  333    HG   CYS  40           HG       CYS  40   1.613   1.749   3.784
  334    H    ARG  41           H        ARG  41   0.577   0.539  -0.042
  335    HA   ARG  41           HA       ARG  41  -1.497  -0.722   1.301
  336    HB2  ARG  41           2HB      ARG  41  -2.891  -0.168  -0.702
  337    HB3  ARG  41           1HB      ARG  41  -2.001   1.179  -0.014
  338    HG2  ARG  41           2HG      ARG  41  -1.667   1.533  -2.240
  339    HG3  ARG  41           1HG      ARG  41  -0.241   0.569  -1.851
  340    HD2  ARG  41           2HD      ARG  41  -1.232  -0.235  -3.907
  341    HD3  ARG  41           1HD      ARG  41  -1.425  -1.447  -2.640
  342    HE   ARG  41           HE       ARG  41  -3.744  -0.185  -2.453
  343   HH11  ARG  41          1HH1      ARG  41  -2.022  -1.245  -5.308
  344   HH12  ARG  41          2HH1      ARG  41  -3.460  -1.505  -6.243
  345   HH21  ARG  41          1HH2      ARG  41  -5.651  -0.536  -3.682
  346   HH22  ARG  41          2HH2      ARG  41  -5.530  -1.107  -5.317
  347    H    LEU  42           H        LEU  42   0.461  -1.948  -1.368
  348    HA   LEU  42           HA       LEU  42  -1.175  -4.256  -1.809
  349    HB2  LEU  42           2HB      LEU  42   1.709  -3.681  -2.473
  350    HB3  LEU  42           1HB      LEU  42   0.919  -5.192  -2.882
  351    HG   LEU  42           HG       LEU  42   0.119  -2.456  -3.882
  352   HD11  LEU  42          1HD1      LEU  42   2.205  -3.238  -4.855
  353   HD12  LEU  42          2HD1      LEU  42   0.904  -3.277  -6.047
  354   HD13  LEU  42          3HD1      LEU  42   1.448  -4.772  -5.285
  355   HD21  LEU  42          3HD2      LEU  42  -1.806  -3.941  -3.635
  356   HD22  LEU  42          1HD2      LEU  42  -0.977  -5.184  -4.570
  357   HD23  LEU  42          2HD2      LEU  42  -1.433  -3.661  -5.335
  358    H    ALA  43           H        ALA  43   1.142  -3.349   0.536
  359    HA   ALA  43           HA       ALA  43   1.929  -5.936   1.387
  360    HB1  ALA  43           1HB      ALA  43   1.971  -3.321   2.870
  361    HB2  ALA  43           2HB      ALA  43   3.271  -3.977   1.876
  362    HB3  ALA  43           3HB      ALA  43   2.796  -4.798   3.363
  363    H    ILE  44           H        ILE  44  -0.519  -3.603   2.525
  364    HA   ILE  44           HA       ILE  44  -1.521  -5.340   4.544
  365    HB   ILE  44           HB       ILE  44  -3.631  -3.835   4.337
  366   HG12  ILE  44          2HG1      ILE  44  -1.601  -2.210   2.796
  367   HG13  ILE  44          1HG1      ILE  44  -3.117  -2.853   2.169
  368   HG21  ILE  44          1HG2      ILE  44  -0.960  -2.831   5.277
  369   HG22  ILE  44          2HG2      ILE  44  -2.154  -3.737   6.206
  370   HG23  ILE  44          3HG2      ILE  44  -2.505  -2.088   5.688
  371   HD11  ILE  44          3HD1      ILE  44  -3.302  -0.478   2.661
  372   HD12  ILE  44          1HD1      ILE  44  -2.855  -0.781   4.341
  373   HD13  ILE  44          2HD1      ILE  44  -4.367  -1.424   3.699
  374    H    LYS  45           H        LYS  45  -2.122  -4.966   1.138
  375    HA   LYS  45           HA       LYS  45  -4.452  -6.506   0.966
  376    HB2  LYS  45           2HB      LYS  45  -3.641  -5.282  -0.959
  377    HB3  LYS  45           1HB      LYS  45  -2.150  -6.213  -0.973
  378    HG2  LYS  45           2HG      LYS  45  -3.410  -8.230  -1.536
  379    HG3  LYS  45           1HG      LYS  45  -4.904  -7.291  -1.533
  380    HD2  LYS  45           2HD      LYS  45  -4.152  -5.970  -3.387
  381    HD3  LYS  45           1HD      LYS  45  -2.548  -6.703  -3.315
  382    HE2  LYS  45           2HE      LYS  45  -5.110  -8.171  -3.930
  383    HE3  LYS  45           1HE      LYS  45  -3.941  -7.625  -5.133
  384    HZ1  LYS  45           3HZ      LYS  45  -2.267  -9.040  -4.036
  385    HZ2  LYS  45           1HZ      LYS  45  -3.572  -9.934  -4.647
  386    HZ3  LYS  45           2HZ      LYS  45  -3.462  -9.626  -2.984
  387    H    GLU  46           H        GLU  46  -1.048  -7.421   1.086
  388    HA   GLU  46           HA       GLU  46  -1.440 -10.234   0.875
  389    HB2  GLU  46           2HB      GLU  46   0.726  -9.358   0.374
  390    HB3  GLU  46           1HB      GLU  46   0.799  -8.480   1.892
  391    HG2  GLU  46           2HG      GLU  46   2.272 -10.259   2.161
  392    HG3  GLU  46           1HG      GLU  46   0.822 -10.753   3.028
  393    H    TYR  47           H        TYR  47  -1.268  -7.896   3.450
  394    HA   TYR  47           HA       TYR  47  -1.125  -9.618   5.641
  395    HB2  TYR  47           2HB      TYR  47  -0.745  -7.100   5.551
  396    HB3  TYR  47           1HB      TYR  47  -2.493  -6.928   5.608
  397    HD1  TYR  47           1HD      TYR  47   0.475  -8.030   7.483
  398    HD2  TYR  47           2HD      TYR  47  -3.691  -7.192   7.658
  399    HE1  TYR  47           1HE      TYR  47   0.576  -8.073   9.938
  400    HE2  TYR  47           2HE      TYR  47  -3.607  -7.244  10.116
  401    HH   TYR  47           HH       TYR  47  -0.589  -7.371  11.846
  402    H    LEU  48           H        LEU  48  -3.929  -8.055   4.115
  403    HA   LEU  48           HA       LEU  48  -5.877  -9.240   5.802
  404    HB2  LEU  48           2HB      LEU  48  -6.275  -8.198   3.000
  405    HB3  LEU  48           1HB      LEU  48  -7.511  -8.417   4.220
  406    HG   LEU  48           HG       LEU  48  -5.286  -6.382   4.271
  407   HD11  LEU  48          1HD1      LEU  48  -8.271  -6.078   3.994
  408   HD12  LEU  48          2HD1      LEU  48  -7.085  -5.870   2.706
  409   HD13  LEU  48          3HD1      LEU  48  -7.097  -4.765   4.080
  410   HD21  LEU  48          3HD2      LEU  48  -7.467  -6.921   6.282
  411   HD22  LEU  48          1HD2      LEU  48  -6.371  -5.540   6.304
  412   HD23  LEU  48          2HD2      LEU  48  -5.738  -7.171   6.519
  413    H    ASP  49           H        ASP  49  -5.018  -9.873   2.429
  414    HA   ASP  49           HA       ASP  49  -6.834 -11.976   2.048
  415    HB2  ASP  49           2HB      ASP  49  -5.927 -10.658   0.230
  416    HB3  ASP  49           1HB      ASP  49  -4.309 -11.257   0.560
  417    H    ASN  50           H        ASN  50  -3.862 -11.971   3.709
  418    HA   ASN  50           HA       ASN  50  -3.168 -14.699   3.260
  419    HB2  ASN  50           2HB      ASN  50  -1.609 -12.900   4.102
  420    HB3  ASN  50           1HB      ASN  50  -2.441 -13.004   5.649
  421   HD21  ASN  50          1HD2      ASN  50  -0.386 -14.653   3.387
  422   HD22  ASN  50          2HD2      ASN  50   0.220 -15.837   4.500
  423    H    HIS  51           H        HIS  51  -4.722 -13.025   6.022
  424    HA   HIS  51           HA       HIS  51  -5.506 -15.652   7.040
  425    HB2  HIS  51           2HB      HIS  51  -6.249 -14.393   9.092
  426    HB3  HIS  51           1HB      HIS  51  -4.527 -14.357   8.759
  427    HD1  HIS  51           1HD      HIS  51  -7.586 -12.105   8.315
  428    HD2  HIS  51           2HD      HIS  51  -3.454 -11.874   8.810
  429    HE1  HIS  51           1HE      HIS  51  -7.060  -9.660   8.569
  430    HE2  HIS  51           2HE      HIS  51  -4.601  -9.578   9.082
  431    H    ASP  52           H        ASP  52  -6.861 -13.084   5.271
  432    HA   ASP  52           HA       ASP  52  -9.511 -14.292   5.613
  433    HB2  ASP  52           2HB      ASP  52  -8.786 -11.400   5.910
  434    HB3  ASP  52           1HB      ASP  52 -10.383 -11.847   5.319
  435    H    LYS  53           H        LYS  53  -8.522 -15.257   3.538
  436    HA   LYS  53           HA       LYS  53  -8.737 -13.595   1.208
  437    HB2  LYS  53           2HB      LYS  53  -7.347 -15.611   1.169
  438    HB3  LYS  53           1HB      LYS  53  -8.762 -16.611   1.472
  439    HG2  LYS  53           2HG      LYS  53  -9.701 -16.000  -0.671
  440    HG3  LYS  53           1HG      LYS  53  -8.359 -14.893  -0.969
  441    HD2  LYS  53           2HD      LYS  53  -8.062 -17.864  -0.561
  442    HD3  LYS  53           1HD      LYS  53  -8.145 -17.077  -2.139
  443    HE2  LYS  53           2HE      LYS  53  -6.061 -16.588  -0.012
  444    HE3  LYS  53           1HE      LYS  53  -5.832 -17.523  -1.488
  445    HZ1  LYS  53           3HZ      LYS  53  -6.364 -14.604  -1.282
  446    HZ2  LYS  53           1HZ      LYS  53  -6.360 -15.465  -2.746
  447    HZ3  LYS  53           2HZ      LYS  53  -4.944 -15.355  -1.820
  448    H    GLN  54           H        GLN  54 -10.808 -15.927   2.853
  449    HA   GLN  54           HA       GLN  54 -13.038 -15.267   1.108
  450    HB2  GLN  54           2HB      GLN  54 -12.694 -17.272   3.332
  451    HB3  GLN  54           1HB      GLN  54 -14.256 -16.948   2.590
  452    HG2  GLN  54           2HG      GLN  54 -11.794 -17.934   1.163
  453    HG3  GLN  54           1HG      GLN  54 -13.194 -18.907   1.614
  454   HE21  GLN  54          1HE2      GLN  54 -12.026 -18.330  -1.021
  455   HE22  GLN  54          2HE2      GLN  54 -13.315 -17.640  -1.958
  456    H    LYS  55           H        LYS  55 -14.255 -13.582   1.526
  457    HA   LYS  55           HA       LYS  55 -14.359 -12.544   4.268
  458    HB2  LYS  55           2HB      LYS  55 -15.318 -10.494   3.172
  459    HB3  LYS  55           1HB      LYS  55 -13.676 -10.887   2.690
  460    HG2  LYS  55           2HG      LYS  55 -14.673 -12.006   0.657
  461    HG3  LYS  55           1HG      LYS  55 -16.207 -11.261   1.113
  462    HD2  LYS  55           2HD      LYS  55 -15.118  -9.855  -0.509
  463    HD3  LYS  55           1HD      LYS  55 -15.079  -9.045   1.058
  464    HE2  LYS  55           2HE      LYS  55 -12.783  -9.815   1.398
  465    HE3  LYS  55           1HE      LYS  55 -12.816 -10.621  -0.168
  466    HZ1  LYS  55           3HZ      LYS  55 -13.034  -7.698   0.318
  467    HZ2  LYS  55           1HZ      LYS  55 -13.159  -8.435  -1.207
  468    HZ3  LYS  55           2HZ      LYS  55 -11.703  -8.516  -0.339
  469    H    LYS  56           H        LYS  56 -15.742 -14.575   4.551
  470    HA   LYS  56           HA       LYS  56 -18.529 -13.728   4.452
  471    HB2  LYS  56           2HB      LYS  56 -18.098 -15.169   2.441
  472    HB3  LYS  56           1HB      LYS  56 -17.680 -16.482   3.533
  473    HG2  LYS  56           2HG      LYS  56 -19.952 -16.335   4.504
  474    HG3  LYS  56           1HG      LYS  56 -20.354 -15.121   3.287
  475    HD2  LYS  56           2HD      LYS  56 -19.502 -17.968   2.753
  476    HD3  LYS  56           1HD      LYS  56 -21.139 -17.330   2.611
  477    HE2  LYS  56           2HE      LYS  56 -20.341 -15.774   0.866
  478    HE3  LYS  56           1HE      LYS  56 -18.744 -16.514   0.966
  479    HZ1  LYS  56           3HZ      LYS  56 -19.813 -18.653   0.363
  480    HZ2  LYS  56           1HZ      LYS  56 -19.929 -17.475  -0.857
  481    HZ3  LYS  56           2HZ      LYS  56 -21.270 -17.822   0.121
  482    H1   GLY   2           1HT      GLY   2  20.794  20.714  -0.136
  483    H2   GLY   2           2HT      GLY   2  22.117  19.663  -0.015
  484    H3   GLY   2           3HT      GLY   2  22.241  21.247   0.575
  485    HA2  GLY   2           1HA      GLY   2  21.968  19.800   2.429
  486    HA3  GLY   2           2HA      GLY   2  20.509  20.759   2.225
  487    H    ARG   3           H        ARG   3  21.891  17.708   1.023
  488    HA   ARG   3           HA       ARG   3  19.331  16.411   1.682
  489    HB2  ARG   3           2HB      ARG   3  21.021  15.928  -0.782
  490    HB3  ARG   3           1HB      ARG   3  19.680  14.905  -0.288
  491    HG2  ARG   3           2HG      ARG   3  18.162  16.828  -0.510
  492    HG3  ARG   3           1HG      ARG   3  19.518  17.809  -1.066
  493    HD2  ARG   3           2HD      ARG   3  19.831  16.291  -2.960
  494    HD3  ARG   3           1HD      ARG   3  18.472  15.316  -2.401
  495    HE   ARG   3           HE       ARG   3  17.577  17.944  -2.699
  496   HH11  ARG   3          1HH1      ARG   3  18.710  15.288  -4.708
  497   HH12  ARG   3          2HH1      ARG   3  17.824  15.810  -6.107
  498   HH21  ARG   3          1HH2      ARG   3  16.402  18.609  -4.536
  499   HH22  ARG   3          2HH2      ARG   3  16.522  17.702  -6.016
  500    HA   PRO   4           HA       PRO   4  22.701  14.321   3.932
  501    HB2  PRO   4           2HB      PRO   4  20.670  13.691   5.908
  502    HB3  PRO   4           1HB      PRO   4  22.099  14.711   6.077
  503    HG2  PRO   4           2HG      PRO   4  19.557  15.682   6.096
  504    HG3  PRO   4           1HG      PRO   4  20.956  16.622   5.544
  505    HD2  PRO   4           2HD      PRO   4  18.887  15.175   3.936
  506    HD3  PRO   4           1HD      PRO   4  19.646  16.755   3.639
  507    H    TYR   5           H        TYR   5  19.868  13.283   2.499
  508    HA   TYR   5           HA       TYR   5  19.107  11.302   1.701
  509    HB2  TYR   5           2HB      TYR   5  21.650  10.113   2.823
  510    HB3  TYR   5           1HB      TYR   5  20.528   9.296   1.744
  511    HD1  TYR   5           1HD      TYR   5  20.245  10.193  -0.607
  512    HD2  TYR   5           2HD      TYR   5  23.340  11.503   1.994
  513    HE1  TYR   5           1HE      TYR   5  21.501  11.048  -2.541
  514    HE2  TYR   5           2HE      TYR   5  24.601  12.359   0.082
  515    HH   TYR   5           HH       TYR   5  24.789  12.131  -2.265
  516    H    LYS   6           H        LYS   6  20.535  11.010   4.923
  517    HA   LYS   6           HA       LYS   6  18.775   8.817   5.601
  518    HB2  LYS   6           2HB      LYS   6  20.797  10.268   7.318
  519    HB3  LYS   6           1HB      LYS   6  20.072   8.702   7.649
  520    HG2  LYS   6           2HG      LYS   6  21.848   9.291   5.279
  521    HG3  LYS   6           1HG      LYS   6  22.396   8.569   6.799
  522    HD2  LYS   6           2HD      LYS   6  20.916   6.675   6.466
  523    HD3  LYS   6           1HD      LYS   6  20.277   7.406   4.994
  524    HE2  LYS   6           2HE      LYS   6  22.478   7.268   3.956
  525    HE3  LYS   6           1HE      LYS   6  23.144   6.577   5.435
  526    HZ1  LYS   6           3HZ      LYS   6  21.726   4.662   5.171
  527    HZ2  LYS   6           1HZ      LYS   6  22.630   4.888   3.755
  528    HZ3  LYS   6           2HZ      LYS   6  21.000   5.335   3.793
  529    H    LEU   7           H        LEU   7  19.567  11.867   7.284
  530    HA   LEU   7           HA       LEU   7  18.329  13.310   8.513
  531    HB2  LEU   7           2HB      LEU   7  17.290  13.640   6.277
  532    HB3  LEU   7           1HB      LEU   7  16.077  12.447   6.695
  533    HG   LEU   7           HG       LEU   7  15.298  13.897   8.533
  534   HD11  LEU   7          1HD1      LEU   7  17.403  15.069   8.977
  535   HD12  LEU   7          2HD1      LEU   7  16.079  16.197   8.695
  536   HD13  LEU   7          3HD1      LEU   7  17.265  15.898   7.425
  537   HD21  LEU   7          3HD2      LEU   7  15.391  15.232   5.832
  538   HD22  LEU   7          1HD2      LEU   7  14.247  15.599   7.125
  539   HD23  LEU   7          2HD2      LEU   7  14.226  14.015   6.350
  540    H    LEU   8           H        LEU   8  18.716  11.473  10.100
  541    HA   LEU   8           HA       LEU   8  18.039  10.393  11.970
  542    HB2  LEU   8           2HB      LEU   8  15.301  11.523  11.389
  543    HB3  LEU   8           1HB      LEU   8  15.831  10.821  12.905
  544    HG   LEU   8           HG       LEU   8  16.884  13.371  11.680
  545   HD11  LEU   8          1HD1      LEU   8  15.774  14.454  13.574
  546   HD12  LEU   8          2HD1      LEU   8  15.122  12.895  14.080
  547   HD13  LEU   8          3HD1      LEU   8  14.623  13.603  12.544
  548   HD21  LEU   8          3HD2      LEU   8  17.521  12.089  14.336
  549   HD22  LEU   8          1HD2      LEU   8  18.116  13.647  13.759
  550   HD23  LEU   8          2HD2      LEU   8  18.603  12.160  12.945
  551    H    ASN   9           H        ASN   9  17.631   9.420   9.129
  552    HA   ASN   9           HA       ASN   9  16.953   7.581   8.018
  553    HB2  ASN   9           2HB      ASN   9  17.024   6.534  10.838
  554    HB3  ASN   9           1HB      ASN   9  16.582   5.499   9.483
  555   HD21  ASN   9          1HD2      ASN   9  19.145   7.280  11.014
  556   HD22  ASN   9          2HD2      ASN   9  20.444   6.593  10.094
  557    H    GLY  10           H        GLY  10  15.017   9.184   7.851
  558    HA2  GLY  10           2HA      GLY  10  12.647   7.539   8.056
  559    HA3  GLY  10           1HA      GLY  10  12.617   8.981   9.063
  560    H    ILE  11           H        ILE  11  11.951   7.724   6.052
  561    HA   ILE  11           HA       ILE  11  12.096  10.357   4.733
  562    HB   ILE  11           HB       ILE  11  11.689   7.684   3.378
  563   HG12  ILE  11          2HG1      ILE  11  13.831   7.636   4.582
  564   HG13  ILE  11          1HG1      ILE  11  14.078   7.688   2.839
  565   HG21  ILE  11          1HG2      ILE  11  12.631  10.342   2.304
  566   HG22  ILE  11          2HG2      ILE  11  11.033   9.635   2.067
  567   HG23  ILE  11          3HG2      ILE  11  12.453   8.853   1.373
  568   HD11  ILE  11          3HD1      ILE  11  14.293  10.036   4.709
  569   HD12  ILE  11          1HD1      ILE  11  14.554  10.069   2.965
  570   HD13  ILE  11          2HD1      ILE  11  15.641   9.143   4.001
  571    H    LYS  12           H        LYS  12  10.266  10.948   3.337
  572    HA   LYS  12           HA       LYS  12   7.756  10.152   4.621
  573    HB2  LYS  12           2HB      LYS  12   7.997  12.497   4.695
  574    HB3  LYS  12           1HB      LYS  12   8.624  12.573   3.053
  575    HG2  LYS  12           2HG      LYS  12   6.453  13.453   2.935
  576    HG3  LYS  12           1HG      LYS  12   6.325  11.817   2.290
  577    HD2  LYS  12           2HD      LYS  12   4.500  11.885   3.684
  578    HD3  LYS  12           1HD      LYS  12   5.720  11.220   4.772
  579    HE2  LYS  12           2HE      LYS  12   4.503  12.951   5.922
  580    HE3  LYS  12           1HE      LYS  12   6.147  13.510   5.617
  581    HZ1  LYS  12           3HZ      LYS  12   5.327  14.761   3.709
  582    HZ2  LYS  12           1HZ      LYS  12   4.536  15.234   5.136
  583    HZ3  LYS  12           2HZ      LYS  12   3.745  14.228   4.023
  584    H    LEU  13           H        LEU  13   6.326   8.974   3.613
  585    HA   LEU  13           HA       LEU  13   6.290   8.893   0.691
  586    HB2  LEU  13           2HB      LEU  13   5.819   6.455   0.795
  587    HB3  LEU  13           1HB      LEU  13   7.440   6.887   1.294
  588    HG   LEU  13           HG       LEU  13   5.280   6.439   3.336
  589   HD11  LEU  13          1HD1      LEU  13   7.066   4.347   2.102
  590   HD12  LEU  13          2HD1      LEU  13   5.313   4.453   1.927
  591   HD13  LEU  13          3HD1      LEU  13   6.025   4.114   3.505
  592   HD21  LEU  13          3HD2      LEU  13   8.289   6.187   3.388
  593   HD22  LEU  13          1HD2      LEU  13   7.211   5.841   4.740
  594   HD23  LEU  13          2HD2      LEU  13   7.337   7.486   4.115
  595    H    GLY  14           H        GLY  14   4.330   9.198  -0.117
  596    HA2  GLY  14           2HA      GLY  14   2.081   9.135   1.764
  597    HA3  GLY  14           1HA      GLY  14   2.135  10.059   0.272
  598    H    VAL  15           H        VAL  15   0.744   7.469   1.674
  599    HA   VAL  15           HA       VAL  15   0.572   5.939  -0.833
  600    HB   VAL  15           HB       VAL  15  -0.309   5.092   1.952
  601   HG11  VAL  15          1HG1      VAL  15  -0.448   2.847   0.989
  602   HG12  VAL  15          2HG1      VAL  15  -0.065   3.508  -0.600
  603   HG13  VAL  15          3HG1      VAL  15  -1.566   3.965   0.207
  604   HG21  VAL  15          3HG2      VAL  15   2.157   4.324   0.400
  605   HG22  VAL  15          1HG2      VAL  15   1.654   3.640   1.944
  606   HG23  VAL  15          2HG2      VAL  15   2.108   5.341   1.841
  607    H    TYR  16           H        TYR  16  -1.618   5.220  -1.491
  608    HA   TYR  16           HA       TYR  16  -3.702   7.123  -0.664
  609    HB2  TYR  16           2HB      TYR  16  -2.292   7.428  -2.987
  610    HB3  TYR  16           1HB      TYR  16  -3.645   6.436  -3.519
  611    HD1  TYR  16           1HD      TYR  16  -3.597   9.117  -0.960
  612    HD2  TYR  16           2HD      TYR  16  -4.961   7.861  -4.781
  613    HE1  TYR  16           1HE      TYR  16  -5.009  11.112  -1.099
  614    HE2  TYR  16           2HE      TYR  16  -6.381   9.861  -4.937
  615    HH   TYR  16           HH       TYR  16  -6.069  12.514  -2.855
  616    H    ILE  17           H        ILE  17  -5.319   5.910   0.083
  617    HA   ILE  17           HA       ILE  17  -6.308   3.733  -1.586
  618    HB   ILE  17           HB       ILE  17  -6.739   2.367   0.526
  619   HG12  ILE  17          2HG1      ILE  17  -4.525   4.157   1.563
  620   HG13  ILE  17          1HG1      ILE  17  -6.169   4.078   2.187
  621   HG21  ILE  17          1HG2      ILE  17  -4.521   1.312   0.399
  622   HG22  ILE  17          2HG2      ILE  17  -3.926   2.710  -0.497
  623   HG23  ILE  17          3HG2      ILE  17  -5.182   1.687  -1.194
  624   HD11  ILE  17          3HD1      ILE  17  -4.189   1.810   2.218
  625   HD12  ILE  17          1HD1      ILE  17  -5.808   1.797   2.917
  626   HD13  ILE  17          2HD1      ILE  17  -4.568   2.861   3.587
  627    HA   PRO  18           HA       PRO  18 -10.057   5.722  -0.943
  628    HB2  PRO  18           2HB      PRO  18 -11.577   3.325  -1.483
  629    HB3  PRO  18           1HB      PRO  18 -11.225   4.682  -2.554
  630    HG2  PRO  18           2HG      PRO  18 -10.193   2.169  -2.889
  631    HG3  PRO  18           1HG      PRO  18  -9.407   3.647  -3.473
  632    HD2  PRO  18           2HD      PRO  18  -8.829   2.024  -1.026
  633    HD3  PRO  18           1HD      PRO  18  -7.703   2.820  -2.150
  634    H    GLN  19           H        GLN  19 -12.428   5.216  -0.229
  635    HA   GLN  19           HA       GLN  19 -12.589   5.355   2.507
  636    HB2  GLN  19           2HB      GLN  19 -14.561   6.088   1.734
  637    HB3  GLN  19           1HB      GLN  19 -14.435   5.128   0.268
  638    HG2  GLN  19           2HG      GLN  19 -15.157   3.150   1.635
  639    HG3  GLN  19           1HG      GLN  19 -15.535   4.287   2.933
  640   HE21  GLN  19          1HE2      GLN  19 -17.238   2.479   1.343
  641   HE22  GLN  19          2HE2      GLN  19 -18.472   3.493   0.657
  642    H    GLU  20           H        GLU  20 -13.478   2.522   0.541
  643    HA   GLU  20           HA       GLU  20 -14.322   0.785   2.456
  644    HB2  GLU  20           2HB      GLU  20 -12.658   0.090   0.030
  645    HB3  GLU  20           1HB      GLU  20 -13.686  -1.026   0.923
  646    HG2  GLU  20           2HG      GLU  20 -14.677   1.445  -0.482
  647    HG3  GLU  20           1HG      GLU  20 -14.690  -0.175  -1.179
  648    H    TRP  21           H        TRP  21 -11.017   1.558   1.640
  649    HA   TRP  21           HA       TRP  21  -9.864  -0.571   3.157
  650    HB2  TRP  21           2HB      TRP  21  -8.761   1.950   1.928
  651    HB3  TRP  21           1HB      TRP  21  -7.760   0.850   2.868
  652    HD1  TRP  21           HD       TRP  21 -10.264   0.222  -0.073
  653    HE1  TRP  21           1HE      TRP  21  -9.034  -1.236  -1.808
  654    HE3  TRP  21           3HE      TRP  21  -5.763  -0.189   2.281
  655    HZ2  TRP  21           2HZ      TRP  21  -6.472  -2.396  -2.127
  656    HZ3  TRP  21           3HZ      TRP  21  -3.972  -1.483   1.207
  657    HH2  TRP  21           HH       TRP  21  -4.312  -2.555  -0.944
  658    H    HIS  22           H        HIS  22 -10.081   2.946   3.562
  659    HA   HIS  22           HA       HIS  22  -8.847   3.035   6.067
  660    HB2  HIS  22           2HB      HIS  22 -10.711   4.912   4.643
  661    HB3  HIS  22           1HB      HIS  22 -10.160   5.253   6.284
  662    HD1  HIS  22           1HD      HIS  22  -8.218   6.775   6.297
  663    HD2  HIS  22           2HD      HIS  22  -8.189   4.270   2.965
  664    HE1  HIS  22           1HE      HIS  22  -6.143   7.376   5.003
  665    HE2  HIS  22           2HE      HIS  22  -6.241   5.971   2.917
  666    H    ASP  23           H        ASP  23 -12.246   2.611   5.188
  667    HA   ASP  23           HA       ASP  23 -13.343   2.919   7.745
  668    HB2  ASP  23           2HB      ASP  23 -14.713   2.809   5.698
  669    HB3  ASP  23           1HB      ASP  23 -14.315   1.101   5.527
  670    H    ARG  24           H        ARG  24 -12.357  -0.103   6.091
  671    HA   ARG  24           HA       ARG  24 -12.996  -1.682   8.402
  672    HB2  ARG  24           2HB      ARG  24 -11.612  -2.296   5.798
  673    HB3  ARG  24           1HB      ARG  24 -11.698  -3.484   7.087
  674    HG2  ARG  24           2HG      ARG  24 -13.448  -3.907   5.499
  675    HG3  ARG  24           1HG      ARG  24 -14.163  -3.347   7.008
  676    HD2  ARG  24           2HD      ARG  24 -14.564  -1.183   6.109
  677    HD3  ARG  24           1HD      ARG  24 -13.605  -1.536   4.674
  678    HE   ARG  24           HE       ARG  24 -15.797  -3.338   4.918
  679   HH11  ARG  24          1HH1      ARG  24 -14.987  -0.058   4.036
  680   HH12  ARG  24          2HH1      ARG  24 -16.279   0.104   2.885
  681   HH21  ARG  24          1HH2      ARG  24 -17.541  -3.123   3.436
  682   HH22  ARG  24          2HH2      ARG  24 -17.737  -1.634   2.565
  683    H    LEU  25           H        LEU  25 -10.059  -0.311   7.027
  684    HA   LEU  25           HA       LEU  25  -8.217  -1.644   8.690
  685    HB2  LEU  25           2HB      LEU  25  -8.050   1.020   7.286
  686    HB3  LEU  25           1HB      LEU  25  -6.708   0.304   8.157
  687    HG   LEU  25           HG       LEU  25  -8.053  -0.869   5.721
  688   HD11  LEU  25          1HD1      LEU  25  -5.323   0.354   6.102
  689   HD12  LEU  25          2HD1      LEU  25  -6.667   1.066   5.210
  690   HD13  LEU  25          3HD1      LEU  25  -5.911  -0.418   4.629
  691   HD21  LEU  25          3HD2      LEU  25  -6.293  -2.558   5.803
  692   HD22  LEU  25          1HD2      LEU  25  -7.286  -2.607   7.260
  693   HD23  LEU  25          2HD2      LEU  25  -5.687  -1.863   7.307
  694    H    MET  26           H        MET  26  -9.876   1.481   9.027
  695    HA   MET  26           HA       MET  26  -8.518   2.256  11.364
  696    HB2  MET  26           2HB      MET  26 -11.186   3.105  10.256
  697    HB3  MET  26           1HB      MET  26 -10.507   3.788  11.728
  698    HG2  MET  26           2HG      MET  26  -8.521   4.485  10.447
  699    HG3  MET  26           1HG      MET  26  -9.290   3.885   8.976
  700    HE1  MET  26           3HE      MET  26 -11.706   4.850   8.141
  701    HE2  MET  26           1HE      MET  26 -12.482   6.262   8.856
  702    HE3  MET  26           2HE      MET  26 -12.388   4.753   9.765
  703    H    GLU  27           H        GLU  27 -11.411   0.286  10.904
  704    HA   GLU  27           HA       GLU  27 -12.200   0.256  13.604
  705    HB2  GLU  27           2HB      GLU  27 -13.603  -0.612  11.774
  706    HB3  GLU  27           1HB      GLU  27 -12.479  -1.947  11.550
  707    HG2  GLU  27           2HG      GLU  27 -13.012  -2.837  13.704
  708    HG3  GLU  27           1HG      GLU  27 -13.988  -1.422  14.100
  709    H    ILE  28           H        ILE  28 -10.069  -1.930  11.800
  710    HA   ILE  28           HA       ILE  28  -9.300  -3.515  14.015
  711    HB   ILE  28           HB       ILE  28  -7.749  -2.909  11.489
  712   HG12  ILE  28          2HG1      ILE  28  -9.607  -5.210  12.125
  713   HG13  ILE  28          1HG1      ILE  28  -9.997  -3.853  11.072
  714   HG21  ILE  28          1HG2      ILE  28  -6.319  -3.831  13.215
  715   HG22  ILE  28          2HG2      ILE  28  -6.589  -5.024  11.945
  716   HG23  ILE  28          3HG2      ILE  28  -7.455  -5.155  13.475
  717   HD11  ILE  28          3HD1      ILE  28  -9.398  -5.804   9.777
  718   HD12  ILE  28          1HD1      ILE  28  -7.844  -5.905  10.605
  719   HD13  ILE  28          2HD1      ILE  28  -8.197  -4.531   9.558
  720    H    ALA  29           H        ALA  29  -8.151  -0.523  12.643
  721    HA   ALA  29           HA       ALA  29  -5.719  -0.273  14.027
  722    HB1  ALA  29           1HB      ALA  29  -7.486   1.911  12.932
  723    HB2  ALA  29           2HB      ALA  29  -6.289   1.001  12.009
  724    HB3  ALA  29           3HB      ALA  29  -5.771   2.048  13.330
  725    H    LYS  30           H        LYS  30  -9.005   0.344  15.017
  726    HA   LYS  30           HA       LYS  30  -8.246   2.006  17.249
  727    HB2  LYS  30           2HB      LYS  30 -10.848   0.533  16.792
  728    HB3  LYS  30           1HB      LYS  30 -10.575   1.838  17.940
  729    HG2  LYS  30           2HG      LYS  30 -10.300   3.430  16.185
  730    HG3  LYS  30           1HG      LYS  30 -10.301   2.158  14.960
  731    HD2  LYS  30           2HD      LYS  30 -12.638   1.589  15.798
  732    HD3  LYS  30           1HD      LYS  30 -12.586   3.136  16.646
  733    HE2  LYS  30           2HE      LYS  30 -12.236   4.307  14.554
  734    HE3  LYS  30           1HE      LYS  30 -12.169   2.775  13.681
  735    HZ1  LYS  30           3HZ      LYS  30 -14.488   2.386  14.556
  736    HZ2  LYS  30           1HZ      LYS  30 -14.329   3.591  13.375
  737    HZ3  LYS  30           2HZ      LYS  30 -14.503   4.025  15.001
  738    H    GLU  31           H        GLU  31  -9.303  -1.312  16.740
  739    HA   GLU  31           HA       GLU  31  -9.181  -2.132  19.414
  740    HB2  GLU  31           2HB      GLU  31 -10.343  -3.408  17.692
  741    HB3  GLU  31           1HB      GLU  31  -8.817  -3.748  16.889
  742    HG2  GLU  31           2HG      GLU  31  -8.072  -5.058  18.776
  743    HG3  GLU  31           1HG      GLU  31  -9.542  -4.654  19.664
  744    H    LYS  32           H        LYS  32  -6.716  -1.975  16.902
  745    HA   LYS  32           HA       LYS  32  -4.755  -3.226  18.667
  746    HB2  LYS  32           2HB      LYS  32  -4.852  -2.623  15.750
  747    HB3  LYS  32           1HB      LYS  32  -3.281  -2.766  16.522
  748    HG2  LYS  32           2HG      LYS  32  -3.799  -4.881  15.610
  749    HG3  LYS  32           1HG      LYS  32  -3.999  -5.022  17.353
  750    HD2  LYS  32           2HD      LYS  32  -6.419  -4.814  17.103
  751    HD3  LYS  32           1HD      LYS  32  -6.231  -4.620  15.358
  752    HE2  LYS  32           2HE      LYS  32  -5.226  -6.855  15.229
  753    HE3  LYS  32           1HE      LYS  32  -5.434  -7.044  16.966
  754    HZ1  LYS  32           3HZ      LYS  32  -7.196  -8.174  15.875
  755    HZ2  LYS  32           1HZ      LYS  32  -7.580  -6.825  14.925
  756    HZ3  LYS  32           2HZ      LYS  32  -7.863  -6.793  16.595
  757    H    ASN  33           H        ASN  33  -5.856  -0.156  18.174
  758    HA   ASN  33           HA       ASN  33  -5.124   1.933  18.673
  759    HB2  ASN  33           2HB      ASN  33  -3.245   0.258  20.303
  760    HB3  ASN  33           1HB      ASN  33  -3.027   2.003  20.231
  761   HD21  ASN  33          1HD2      ASN  33  -3.747   0.295  22.487
  762   HD22  ASN  33          2HD2      ASN  33  -5.258   0.902  23.079
  763    H    LEU  34           H        LEU  34  -4.346   0.975  16.206
  764    HA   LEU  34           HA       LEU  34  -1.703   2.228  15.829
  765    HB2  LEU  34           2HB      LEU  34  -2.991  -0.047  14.315
  766    HB3  LEU  34           1HB      LEU  34  -1.559   0.800  13.757
  767    HG   LEU  34           HG       LEU  34  -1.728  -0.731  16.346
  768   HD11  LEU  34          1HD1      LEU  34  -0.372  -2.418  15.224
  769   HD12  LEU  34          2HD1      LEU  34  -0.480  -1.506  13.719
  770   HD13  LEU  34          3HD1      LEU  34  -1.930  -2.221  14.422
  771   HD21  LEU  34          3HD2      LEU  34  -0.089   1.077  16.369
  772   HD22  LEU  34          1HD2      LEU  34   0.615   0.457  14.875
  773   HD23  LEU  34          2HD2      LEU  34   0.700  -0.500  16.354
  774    H    THR  35           H        THR  35  -1.452   3.272  13.677
  775    HA   THR  35           HA       THR  35  -4.028   4.094  12.506
  776    HB   THR  35           HB       THR  35  -2.808   5.889  11.362
  777    HG1  THR  35           1HG      THR  35  -0.535   4.820  12.731
  778   HG21  THR  35          3HG2      THR  35  -2.264   7.282  13.285
  779   HG22  THR  35          1HG2      THR  35  -2.193   5.852  14.316
  780   HG23  THR  35          2HG2      THR  35  -3.724   6.341  13.592
  781    H    LEU  36           H        LEU  36  -4.247   3.949  10.224
  782    HA   LEU  36           HA       LEU  36  -3.370   1.442   9.280
  783    HB2  LEU  36           2HB      LEU  36  -4.499   2.122   7.162
  784    HB3  LEU  36           1HB      LEU  36  -5.492   2.193   8.600
  785    HG   LEU  36           HG       LEU  36  -4.730   4.723   8.546
  786   HD11  LEU  36          1HD1      LEU  36  -3.286   4.528   6.613
  787   HD12  LEU  36          2HD1      LEU  36  -4.669   5.560   6.243
  788   HD13  LEU  36          3HD1      LEU  36  -4.623   3.898   5.654
  789   HD21  LEU  36          3HD2      LEU  36  -7.019   3.913   8.549
  790   HD22  LEU  36          1HD2      LEU  36  -6.905   3.556   6.827
  791   HD23  LEU  36          2HD2      LEU  36  -6.817   5.226   7.389
  792    H    SER  37           H        SER  37  -2.111   4.647   8.906
  793    HA   SER  37           HA       SER  37  -0.266   4.232   6.855
  794    HB2  SER  37           2HB      SER  37   0.214   5.818   9.390
  795    HB3  SER  37           1HB      SER  37   0.966   6.073   7.818
  796    HG   SER  37           HG       SER  37  -1.214   7.196   8.718
  797    H    ASP  38           H        ASP  38  -0.010   3.611  10.341
  798    HA   ASP  38           HA       ASP  38   2.595   2.512  10.307
  799    HB2  ASP  38           2HB      ASP  38   0.335   1.927  12.249
  800    HB3  ASP  38           1HB      ASP  38   2.025   1.514  12.498
  801    H    VAL  39           H        VAL  39  -0.627   1.060  10.142
  802    HA   VAL  39           HA       VAL  39   0.193  -1.625  10.172
  803    HB   VAL  39           HB       VAL  39  -2.265  -0.516   8.804
  804   HG11  VAL  39          1HG1      VAL  39  -1.825  -2.827   8.211
  805   HG12  VAL  39          2HG1      VAL  39  -3.222  -2.731   9.285
  806   HG13  VAL  39          3HG1      VAL  39  -1.660  -3.253   9.916
  807   HG21  VAL  39          3HG2      VAL  39  -2.165   0.276  11.094
  808   HG22  VAL  39          1HG2      VAL  39  -1.871  -1.365  11.669
  809   HG23  VAL  39          2HG2      VAL  39  -3.419  -0.956  10.930
  810    H    CYS  40           H        CYS  40  -0.076   0.698   7.552
  811    HA   CYS  40           HA       CYS  40   0.110  -1.128   5.422
  812    HB2  CYS  40           2HB      CYS  40  -0.415   1.492   5.544
  813    HB3  CYS  40           1HB      CYS  40   1.280   1.595   5.100
  814    HG   CYS  40           HG       CYS  40   0.178  -0.544   3.047
  815    H    ARG  41           H        ARG  41   2.724   1.044   6.626
  816    HA   ARG  41           HA       ARG  41   4.807  -0.322   5.392
  817    HB2  ARG  41           2HB      ARG  41   6.274   0.829   7.095
  818    HB3  ARG  41           1HB      ARG  41   5.225   1.875   6.152
  819    HG2  ARG  41           2HG      ARG  41   4.971   2.756   8.250
  820    HG3  ARG  41           1HG      ARG  41   3.614   1.629   8.187
  821    HD2  ARG  41           2HD      ARG  41   4.563   1.216  10.278
  822    HD3  ARG  41           1HD      ARG  41   5.243  -0.054   9.261
  823    HE   ARG  41           HE       ARG  41   6.737   2.426   9.831
  824   HH11  ARG  41          1HH1      ARG  41   6.540  -1.070   9.750
  825   HH12  ARG  41          2HH1      ARG  41   8.146  -1.307  10.362
  826   HH21  ARG  41          1HH2      ARG  41   8.840   2.132  10.600
  827   HH22  ARG  41          2HH2      ARG  41   9.468   0.526  10.848
  828    H    LEU  42           H        LEU  42   3.272  -0.973   8.514
  829    HA   LEU  42           HA       LEU  42   5.232  -2.816   9.432
  830    HB2  LEU  42           2HB      LEU  42   2.312  -2.469  10.095
  831    HB3  LEU  42           1HB      LEU  42   3.290  -3.724  10.831
  832    HG   LEU  42           HG       LEU  42   3.844  -0.760  11.047
  833   HD11  LEU  42          1HD1      LEU  42   1.801  -1.374  12.217
  834   HD12  LEU  42          2HD1      LEU  42   3.093  -0.996  13.358
  835   HD13  LEU  42          3HD1      LEU  42   2.655  -2.676  13.047
  836   HD21  LEU  42          3HD2      LEU  42   5.870  -2.073  11.221
  837   HD22  LEU  42          1HD2      LEU  42   5.107  -3.141  12.402
  838   HD23  LEU  42          2HD2      LEU  42   5.415  -1.453  12.807
  839    H    ALA  43           H        ALA  43   2.435  -3.071   7.364
  840    HA   ALA  43           HA       ALA  43   2.465  -5.915   7.222
  841    HB1  ALA  43           1HB      ALA  43   1.189  -3.925   5.363
  842    HB2  ALA  43           2HB      ALA  43   0.437  -4.635   6.792
  843    HB3  ALA  43           3HB      ALA  43   0.864  -5.658   5.419
  844    H    ILE  44           H        ILE  44   4.231  -3.383   5.610
  845    HA   ILE  44           HA       ILE  44   5.057  -4.945   3.375
  846    HB   ILE  44           HB       ILE  44   6.650  -2.730   4.683
  847   HG12  ILE  44          2HG1      ILE  44   4.643  -2.557   2.427
  848   HG13  ILE  44          1HG1      ILE  44   4.402  -1.932   4.056
  849   HG21  ILE  44          1HG2      ILE  44   7.716  -2.524   2.503
  850   HG22  ILE  44          2HG2      ILE  44   6.717  -3.836   1.878
  851   HG23  ILE  44          3HG2      ILE  44   7.907  -4.159   3.139
  852   HD11  ILE  44          3HD1      ILE  44   4.998  -0.149   2.522
  853   HD12  ILE  44          1HD1      ILE  44   6.487  -0.994   2.096
  854   HD13  ILE  44          2HD1      ILE  44   6.261  -0.376   3.732
  855    H    LYS  45           H        LYS  45   6.297  -4.378   6.612
  856    HA   LYS  45           HA       LYS  45   8.599  -5.929   6.493
  857    HB2  LYS  45           2HB      LYS  45   8.162  -4.579   8.442
  858    HB3  LYS  45           1HB      LYS  45   6.680  -5.466   8.781
  859    HG2  LYS  45           2HG      LYS  45   8.190  -7.522   9.011
  860    HG3  LYS  45           1HG      LYS  45   9.519  -6.366   9.109
  861    HD2  LYS  45           2HD      LYS  45   8.636  -5.382  11.072
  862    HD3  LYS  45           1HD      LYS  45   7.091  -6.215  10.877
  863    HE2  LYS  45           2HE      LYS  45   9.757  -7.435  11.576
  864    HE3  LYS  45           1HE      LYS  45   8.325  -7.329  12.598
  865    HZ1  LYS  45           3HZ      LYS  45   7.178  -8.732  10.869
  866    HZ2  LYS  45           1HZ      LYS  45   8.394  -9.519  11.758
  867    HZ3  LYS  45           2HZ      LYS  45   8.703  -8.993  10.181
  868    H    GLU  46           H        GLU  46   5.261  -6.875   7.259
  869    HA   GLU  46           HA       GLU  46   5.877  -9.634   7.584
  870    HB2  GLU  46           2HB      GLU  46   3.469  -7.964   7.611
  871    HB3  GLU  46           1HB      GLU  46   3.201  -9.571   6.953
  872    HG2  GLU  46           2HG      GLU  46   2.723  -9.580   9.298
  873    HG3  GLU  46           1HG      GLU  46   4.165 -10.545   8.993
  874    H    TYR  47           H        TYR  47   4.996  -7.606   4.896
  875    HA   TYR  47           HA       TYR  47   4.284  -9.582   3.060
  876    HB2  TYR  47           2HB      TYR  47   3.917  -7.183   2.659
  877    HB3  TYR  47           1HB      TYR  47   5.654  -6.923   2.575
  878    HD1  TYR  47           1HD      TYR  47   2.725  -8.275   0.831
  879    HD2  TYR  47           2HD      TYR  47   6.907  -7.525   0.583
  880    HE1  TYR  47           1HE      TYR  47   2.646  -8.667  -1.592
  881    HE2  TYR  47           2HE      TYR  47   6.836  -7.917  -1.845
  882    HH   TYR  47           HH       TYR  47   3.936  -8.073  -3.592
  883    H    LEU  48           H        LEU  48   7.389  -8.095   3.830
  884    HA   LEU  48           HA       LEU  48   8.953  -9.745   2.135
  885    HB2  LEU  48           2HB      LEU  48   9.831  -8.378   4.677
  886    HB3  LEU  48           1HB      LEU  48  10.858  -8.908   3.358
  887    HG   LEU  48           HG       LEU  48   8.845  -6.662   3.260
  888   HD11  LEU  48          1HD1      LEU  48  10.855  -6.111   4.513
  889   HD12  LEU  48          2HD1      LEU  48  10.803  -5.238   2.980
  890   HD13  LEU  48          3HD1      LEU  48  11.855  -6.642   3.162
  891   HD21  LEU  48          3HD2      LEU  48  10.718  -7.673   1.124
  892   HD22  LEU  48          1HD2      LEU  48   9.708  -6.231   1.013
  893   HD23  LEU  48          2HD2      LEU  48   8.961  -7.825   1.120
  894    H    ASP  49           H        ASP  49   8.009  -9.898   5.516
  895    HA   ASP  49           HA       ASP  49   9.621 -12.045   6.296
  896    HB2  ASP  49           2HB      ASP  49   8.517 -10.506   7.851
  897    HB3  ASP  49           1HB      ASP  49   6.952 -11.181   7.414
  898    H    ASN  50           H        ASN  50   6.495 -12.015   4.703
  899    HA   ASN  50           HA       ASN  50   5.994 -14.810   5.094
  900    HB2  ASN  50           2HB      ASN  50   4.777 -12.718   3.297
  901    HB3  ASN  50           1HB      ASN  50   4.332 -14.414   3.152
  902   HD21  ASN  50          1HD2      ASN  50   5.060 -12.636   6.097
  903   HD22  ASN  50          2HD2      ASN  50   3.498 -12.813   6.804
  904    H    HIS  51           H        HIS  51   7.614 -12.881   2.676
  905    HA   HIS  51           HA       HIS  51   7.650 -15.117   0.800
  906    HB2  HIS  51           2HB      HIS  51   8.539 -12.244   0.477
  907    HB3  HIS  51           1HB      HIS  51   8.591 -13.459  -0.795
  908    HD1  HIS  51           1HD      HIS  51   7.016 -11.417  -1.865
  909    HD2  HIS  51           2HD      HIS  51   5.312 -13.900   1.009
  910    HE1  HIS  51           1HE      HIS  51   4.526 -11.143  -2.108
  911    HE2  HIS  51           2HE      HIS  51   3.529 -12.468  -0.208
  912    H    ASP  52           H        ASP  52   9.927 -12.941   2.438
  913    HA   ASP  52           HA       ASP  52  12.038 -14.947   2.107
  914    HB2  ASP  52           2HB      ASP  52  12.197 -12.053   1.266
  915    HB3  ASP  52           1HB      ASP  52  13.633 -13.011   1.607
  916    H    LYS  53           H        LYS  53  12.189 -15.438   4.245
  917    HA   LYS  53           HA       LYS  53  12.468 -13.324   6.217
  918    HB2  LYS  53           2HB      LYS  53  12.662 -16.333   6.444
  919    HB3  LYS  53           1HB      LYS  53  12.836 -15.230   7.802
  920    HG2  LYS  53           2HG      LYS  53  10.569 -14.470   7.539
  921    HG3  LYS  53           1HG      LYS  53  10.381 -15.439   6.076
  922    HD2  LYS  53           2HD      LYS  53  10.727 -17.478   7.393
  923    HD3  LYS  53           1HD      LYS  53  10.899 -16.501   8.852
  924    HE2  LYS  53           2HE      LYS  53   8.444 -16.483   7.109
  925    HE3  LYS  53           1HE      LYS  53   8.637 -17.534   8.511
  926    HZ1  LYS  53           3HZ      LYS  53   8.802 -14.566   8.621
  927    HZ2  LYS  53           1HZ      LYS  53   8.776 -15.641   9.932
  928    HZ3  LYS  53           2HZ      LYS  53   7.399 -15.456   8.962
  929    H    GLN  54           H        GLN  54  14.415 -15.182   4.152
  930    HA   GLN  54           HA       GLN  54  16.825 -14.862   5.751
  931    HB2  GLN  54           2HB      GLN  54  16.482 -16.187   3.056
  932    HB3  GLN  54           1HB      GLN  54  17.901 -16.278   4.092
  933    HG2  GLN  54           2HG      GLN  54  15.174 -17.421   4.640
  934    HG3  GLN  54           1HG      GLN  54  16.656 -18.311   4.293
  935   HE21  GLN  54          1HE2      GLN  54  14.833 -18.376   6.595
  936   HE22  GLN  54          2HE2      GLN  54  15.820 -18.057   7.988
  937    H    LYS  55           H        LYS  55  18.149 -13.225   5.493
  938    HA   LYS  55           HA       LYS  55  18.190 -11.827   2.909
  939    HB2  LYS  55           2HB      LYS  55  18.931  -9.811   4.147
  940    HB3  LYS  55           1HB      LYS  55  17.324 -10.343   4.621
  941    HG2  LYS  55           2HG      LYS  55  18.209 -11.324   6.647
  942    HG3  LYS  55           1HG      LYS  55  19.854 -10.916   6.156
  943    HD2  LYS  55           2HD      LYS  55  19.113  -9.288   7.754
  944    HD3  LYS  55           1HD      LYS  55  19.190  -8.516   6.170
  945    HE2  LYS  55           2HE      LYS  55  16.772  -8.793   5.916
  946    HE3  LYS  55           1HE      LYS  55  16.695  -9.581   7.493
  947    HZ1  LYS  55           3HZ      LYS  55  17.490  -6.766   6.957
  948    HZ2  LYS  55           1HZ      LYS  55  17.552  -7.508   8.480
  949    HZ3  LYS  55           2HZ      LYS  55  16.059  -7.289   7.705
  950    H    LYS  56           H        LYS  56  20.088 -11.781   1.857
  951    HA   LYS  56           HA       LYS  56  22.552 -12.371   3.322
  952    HB2  LYS  56           2HB      LYS  56  21.661 -14.542   2.555
  953    HB3  LYS  56           1HB      LYS  56  21.643 -13.941   0.903
  954    HG2  LYS  56           2HG      LYS  56  24.060 -13.737   0.924
  955    HG3  LYS  56           1HG      LYS  56  24.102 -14.266   2.610
  956    HD2  LYS  56           2HD      LYS  56  23.018 -15.904   0.319
  957    HD3  LYS  56           1HD      LYS  56  24.639 -16.074   0.998
  958    HE2  LYS  56           2HE      LYS  56  23.759 -16.752   3.117
  959    HE3  LYS  56           1HE      LYS  56  22.112 -16.366   2.617
  960    HZ1  LYS  56           3HZ      LYS  56  22.068 -18.166   1.141
  961    HZ2  LYS  56           1HZ      LYS  56  22.757 -18.786   2.559
  962    HZ3  LYS  56           2HZ      LYS  56  23.745 -18.411   1.231
  Start of MODEL    4
    1    H1   GLY   2           1HT      GLY   2 -12.000  16.784  -7.532
    2    H2   GLY   2           2HT      GLY   2 -13.132  15.563  -7.222
    3    H3   GLY   2           3HT      GLY   2 -12.030  16.024  -6.015
    4    HA2  GLY   2           1HA      GLY   2 -13.039  18.245  -5.968
    5    HA3  GLY   2           2HA      GLY   2 -14.225  17.680  -7.139
    6    H    ARG   3           H        ARG   3 -15.925  18.108  -5.657
    7    HA   ARG   3           HA       ARG   3 -16.079  16.171  -3.438
    8    HB2  ARG   3           2HB      ARG   3 -16.759  19.114  -3.392
    9    HB3  ARG   3           1HB      ARG   3 -17.311  17.985  -2.164
   10    HG2  ARG   3           2HG      ARG   3 -15.132  17.601  -1.384
   11    HG3  ARG   3           1HG      ARG   3 -14.404  18.334  -2.816
   12    HD2  ARG   3           2HD      ARG   3 -14.331  19.774  -0.773
   13    HD3  ARG   3           1HD      ARG   3 -15.127  20.510  -2.164
   14    HE   ARG   3           HE       ARG   3 -16.933  19.170  -0.367
   15   HH11  ARG   3          1HH1      ARG   3 -15.242  22.197  -0.990
   16   HH12  ARG   3          2HH1      ARG   3 -16.434  23.167  -0.173
   17   HH21  ARG   3          1HH2      ARG   3 -18.499  20.469   0.683
   18   HH22  ARG   3          2HH2      ARG   3 -18.278  22.186   0.761
   19    HA   PRO   4           HA       PRO   4 -19.919  15.852  -6.027
   20    HB2  PRO   4           2HB      PRO   4 -19.612  12.984  -5.549
   21    HB3  PRO   4           1HB      PRO   4 -19.704  13.850  -7.083
   22    HG2  PRO   4           2HG      PRO   4 -17.430  12.676  -6.208
   23    HG3  PRO   4           1HG      PRO   4 -17.429  14.140  -7.208
   24    HD2  PRO   4           2HD      PRO   4 -17.051  13.865  -4.247
   25    HD3  PRO   4           1HD      PRO   4 -16.193  14.911  -5.401
   26    H    TYR   5           H        TYR   5 -19.085  13.625  -3.395
   27    HA   TYR   5           HA       TYR   5 -21.259  14.599  -1.759
   28    HB2  TYR   5           2HB      TYR   5 -22.268  12.380  -1.408
   29    HB3  TYR   5           1HB      TYR   5 -22.388  12.859  -3.096
   30    HD1  TYR   5           1HD      TYR   5 -20.527  11.931  -4.678
   31    HD2  TYR   5           2HD      TYR   5 -21.449  10.276  -0.869
   32    HE1  TYR   5           1HE      TYR   5 -19.482   9.811  -5.353
   33    HE2  TYR   5           2HE      TYR   5 -20.407   8.152  -1.536
   34    HH   TYR   5           HH       TYR   5 -19.912   6.937  -3.700
   35    H    LYS   6           H        LYS   6 -18.639  12.345  -2.283
   36    HA   LYS   6           HA       LYS   6 -17.604  12.980   0.384
   37    HB2  LYS   6           2HB      LYS   6 -17.700  10.245  -0.911
   38    HB3  LYS   6           1HB      LYS   6 -16.675  10.630   0.465
   39    HG2  LYS   6           2HG      LYS   6 -19.681  10.773   0.411
   40    HG3  LYS   6           1HG      LYS   6 -18.704   9.501   1.144
   41    HD2  LYS   6           2HD      LYS   6 -18.491  12.389   1.958
   42    HD3  LYS   6           1HD      LYS   6 -19.608  11.260   2.725
   43    HE2  LYS   6           2HE      LYS   6 -17.753   9.834   3.374
   44    HE3  LYS   6           1HE      LYS   6 -16.618  10.906   2.554
   45    HZ1  LYS   6           3HZ      LYS   6 -17.011  12.605   4.112
   46    HZ2  LYS   6           1HZ      LYS   6 -16.818  11.187   5.030
   47    HZ3  LYS   6           2HZ      LYS   6 -18.370  11.823   4.765
   48    H    LEU   7           H        LEU   7 -15.203  11.809   0.269
   49    HA   LEU   7           HA       LEU   7 -13.961  13.494  -1.756
   50    HB2  LEU   7           2HB      LEU   7 -12.777  12.034   0.603
   51    HB3  LEU   7           1HB      LEU   7 -11.876  13.081  -0.477
   52    HG   LEU   7           HG       LEU   7 -14.157  13.948   1.304
   53   HD11  LEU   7          1HD1      LEU   7 -12.417  15.162   2.535
   54   HD12  LEU   7          2HD1      LEU   7 -11.188  14.419   1.513
   55   HD13  LEU   7          3HD1      LEU   7 -12.168  13.416   2.583
   56   HD21  LEU   7          3HD2      LEU   7 -14.088  15.276  -0.720
   57   HD22  LEU   7          1HD2      LEU   7 -12.356  15.540  -0.518
   58   HD23  LEU   7          2HD2      LEU   7 -13.493  16.224   0.644
   59    H    LEU   8           H        LEU   8 -14.830  11.805  -3.313
   60    HA   LEU   8           HA       LEU   8 -14.371  10.310  -4.954
   61    HB2  LEU   8           2HB      LEU   8 -11.535  10.931  -4.141
   62    HB3  LEU   8           1HB      LEU   8 -12.001  10.120  -5.625
   63    HG   LEU   8           HG       LEU   8 -12.724  12.956  -4.866
   64   HD11  LEU   8          1HD1      LEU   8 -11.230  13.558  -6.727
   65   HD12  LEU   8          2HD1      LEU   8 -10.775  11.862  -6.894
   66   HD13  LEU   8          3HD1      LEU   8 -10.374  12.741  -5.419
   67   HD21  LEU   8          3HD2      LEU   8 -13.595  13.119  -7.140
   68   HD22  LEU   8          1HD2      LEU   8 -14.459  11.893  -6.215
   69   HD23  LEU   8          2HD2      LEU   8 -13.249  11.409  -7.402
   70    H    ASN   9           H        ASN   9 -14.642   9.261  -2.179
   71    HA   ASN   9           HA       ASN   9 -14.611   7.260  -1.103
   72    HB2  ASN   9           2HB      ASN   9 -15.470   6.595  -3.416
   73    HB3  ASN   9           1HB      ASN   9 -13.841   6.027  -3.756
   74   HD21  ASN   9          1HD2      ASN   9 -16.783   5.433  -2.035
   75   HD22  ASN   9          2HD2      ASN   9 -16.390   3.833  -1.499
   76    H    GLY  10           H        GLY  10 -12.089   8.823  -1.283
   77    HA2  GLY  10           2HA      GLY  10 -10.348   6.755  -0.260
   78    HA3  GLY  10           1HA      GLY  10  -9.804   7.446  -1.780
   79    H    ILE  11           H        ILE  11  -8.633   7.513   0.932
   80    HA   ILE  11           HA       ILE  11  -8.418  10.440   1.190
   81    HB   ILE  11           HB       ILE  11  -8.504   8.551   3.550
   82   HG12  ILE  11          2HG1      ILE  11 -10.729   8.745   2.471
   83   HG13  ILE  11          1HG1      ILE  11 -10.695   9.427   4.093
   84   HG21  ILE  11          1HG2      ILE  11  -7.151  10.533   3.942
   85   HG22  ILE  11          2HG2      ILE  11  -8.630  10.590   4.901
   86   HG23  ILE  11          3HG2      ILE  11  -8.492  11.563   3.437
   87   HD11  ILE  11          3HD1      ILE  11 -11.968  10.834   2.593
   88   HD12  ILE  11          1HD1      ILE  11 -10.583  10.962   1.509
   89   HD13  ILE  11          2HD1      ILE  11 -10.505  11.669   3.122
   90    H    LYS  12           H        LYS  12  -6.368  11.177   1.889
   91    HA   LYS  12           HA       LYS  12  -4.252   9.258   1.190
   92    HB2  LYS  12           2HB      LYS  12  -4.636  11.373  -0.136
   93    HB3  LYS  12           1HB      LYS  12  -4.128  12.280   1.277
   94    HG2  LYS  12           2HG      LYS  12  -2.311  10.199   0.170
   95    HG3  LYS  12           1HG      LYS  12  -2.467  11.741  -0.671
   96    HD2  LYS  12           2HD      LYS  12  -2.042  12.777   1.665
   97    HD3  LYS  12           1HD      LYS  12  -1.417  11.177   2.077
   98    HE2  LYS  12           2HE      LYS  12   0.390  12.631   1.347
   99    HE3  LYS  12           1HE      LYS  12   0.151  11.321   0.190
  100    HZ1  LYS  12           3HZ      LYS  12   0.467  13.580  -0.801
  101    HZ2  LYS  12           1HZ      LYS  12  -1.033  14.021  -0.148
  102    HZ3  LYS  12           2HZ      LYS  12  -0.941  12.781  -1.301
  103    H    LEU  13           H        LEU  13  -2.478   8.927   2.498
  104    HA   LEU  13           HA       LEU  13  -2.647  10.068   5.207
  105    HB2  LEU  13           2HB      LEU  13  -1.961   7.776   6.028
  106    HB3  LEU  13           1HB      LEU  13  -3.604   7.941   5.446
  107    HG   LEU  13           HG       LEU  13  -1.526   6.948   3.544
  108   HD11  LEU  13          1HD1      LEU  13  -1.127   5.623   5.544
  109   HD12  LEU  13          2HD1      LEU  13  -1.918   4.651   4.302
  110   HD13  LEU  13          3HD1      LEU  13  -2.850   5.267   5.668
  111   HD21  LEU  13          3HD2      LEU  13  -3.447   5.670   2.693
  112   HD22  LEU  13          1HD2      LEU  13  -3.790   7.402   2.741
  113   HD23  LEU  13          2HD2      LEU  13  -4.453   6.334   3.980
  114    H    GLY  14           H        GLY  14  -0.733  10.099   6.426
  115    HA2  GLY  14           2HA      GLY  14   1.707  10.080   4.787
  116    HA3  GLY  14           1HA      GLY  14   1.475  11.004   6.264
  117    H    VAL  15           H        VAL  15   3.040   8.427   5.018
  118    HA   VAL  15           HA       VAL  15   2.981   6.911   7.554
  119    HB   VAL  15           HB       VAL  15   3.900   5.876   4.862
  120   HG11  VAL  15          1HG1      VAL  15   3.604   3.672   5.882
  121   HG12  VAL  15          2HG1      VAL  15   3.147   4.441   7.401
  122   HG13  VAL  15          3HG1      VAL  15   4.779   4.647   6.764
  123   HG21  VAL  15          3HG2      VAL  15   1.751   4.740   4.668
  124   HG22  VAL  15          1HG2      VAL  15   1.545   6.491   4.716
  125   HG23  VAL  15          2HG2      VAL  15   1.201   5.523   6.149
  126    H    TYR  16           H        TYR  16   5.085   5.958   8.214
  127    HA   TYR  16           HA       TYR  16   7.444   7.270   7.072
  128    HB2  TYR  16           2HB      TYR  16   6.631   7.234   9.952
  129    HB3  TYR  16           1HB      TYR  16   8.335   7.222   9.525
  130    HD1  TYR  16           1HD      TYR  16   9.366   9.111   8.461
  131    HD2  TYR  16           2HD      TYR  16   5.279   9.228   9.615
  132    HE1  TYR  16           1HE      TYR  16   9.387  11.545   8.230
  133    HE2  TYR  16           2HE      TYR  16   5.280  11.675   9.389
  134    HH   TYR  16           HH       TYR  16   7.745  13.387   7.840
  135    H    ILE  17           H        ILE  17   9.236   6.071   6.992
  136    HA   ILE  17           HA       ILE  17   9.646   3.800   8.696
  137    HB   ILE  17           HB       ILE  17  10.389   2.397   6.617
  138   HG12  ILE  17          2HG1      ILE  17   8.171   4.076   5.430
  139   HG13  ILE  17          1HG1      ILE  17   9.852   4.041   4.901
  140   HG21  ILE  17          1HG2      ILE  17   8.226   1.232   6.627
  141   HG22  ILE  17          2HG2      ILE  17   7.520   2.592   7.503
  142   HG23  ILE  17          3HG2      ILE  17   8.798   1.630   8.246
  143   HD11  ILE  17          3HD1      ILE  17   8.441   2.735   3.417
  144   HD12  ILE  17          1HD1      ILE  17   7.910   1.738   4.773
  145   HD13  ILE  17          2HD1      ILE  17   9.595   1.695   4.255
  146    HA   PRO  18           HA       PRO  18  13.764   5.145   8.840
  147    HB2  PRO  18           2HB      PRO  18  14.532   2.337   8.178
  148    HB3  PRO  18           1HB      PRO  18  15.100   3.379   9.487
  149    HG2  PRO  18           2HG      PRO  18  13.328   1.470   9.976
  150    HG3  PRO  18           1HG      PRO  18  13.177   3.058  10.753
  151    HD2  PRO  18           2HD      PRO  18  11.617   1.888   8.498
  152    HD3  PRO  18           1HD      PRO  18  11.088   2.986   9.789
  153    H    GLN  19           H        GLN  19  15.800   5.374   7.705
  154    HA   GLN  19           HA       GLN  19  15.567   5.958   4.996
  155    HB2  GLN  19           2HB      GLN  19  18.062   6.080   4.997
  156    HB3  GLN  19           1HB      GLN  19  17.303   6.987   6.298
  157    HG2  GLN  19           2HG      GLN  19  17.883   5.306   7.897
  158    HG3  GLN  19           1HG      GLN  19  18.453   4.227   6.625
  159   HE21  GLN  19          1HE2      GLN  19  19.761   6.353   5.133
  160   HE22  GLN  19          2HE2      GLN  19  21.203   6.745   6.022
  161    H    GLU  20           H        GLU  20  16.877   3.085   6.584
  162    HA   GLU  20           HA       GLU  20  17.814   1.680   4.375
  163    HB2  GLU  20           2HB      GLU  20  16.509   0.578   6.869
  164    HB3  GLU  20           1HB      GLU  20  17.526  -0.329   5.758
  165    HG2  GLU  20           2HG      GLU  20  19.435   0.996   6.329
  166    HG3  GLU  20           1HG      GLU  20  18.443   2.074   7.312
  167    H    TRP  21           H        TRP  21  14.572   2.266   5.421
  168    HA   TRP  21           HA       TRP  21  13.411   0.094   3.938
  169    HB2  TRP  21           2HB      TRP  21  12.436   2.294   5.668
  170    HB3  TRP  21           1HB      TRP  21  11.318   1.708   4.442
  171    HD1  TRP  21           HD       TRP  21  12.933   0.701   7.739
  172    HE1  TRP  21           1HE      TRP  21  11.769  -1.435   8.597
  173    HE3  TRP  21           3HE      TRP  21  10.198  -0.436   3.588
  174    HZ2  TRP  21           2HZ      TRP  21   9.934  -3.347   7.620
  175    HZ3  TRP  21           3HZ      TRP  21   8.767  -2.432   3.623
  176    HH2  TRP  21           HH       TRP  21   8.635  -3.846   5.596
  177    H    HIS  22           H        HIS  22  13.663   3.612   3.598
  178    HA   HIS  22           HA       HIS  22  12.213   3.732   1.171
  179    HB2  HIS  22           2HB      HIS  22  14.067   5.620   2.578
  180    HB3  HIS  22           1HB      HIS  22  13.583   5.955   0.915
  181    HD1  HIS  22           1HD      HIS  22  11.481   7.217   0.648
  182    HD2  HIS  22           2HD      HIS  22  11.691   5.307   4.340
  183    HE1  HIS  22           1HE      HIS  22   9.456   7.984   1.924
  184    HE2  HIS  22           2HE      HIS  22   9.697   6.952   4.212
  185    H    ASP  23           H        ASP  23  15.663   3.466   1.899
  186    HA   ASP  23           HA       ASP  23  16.655   3.691  -0.699
  187    HB2  ASP  23           2HB      ASP  23  18.103   3.758   1.252
  188    HB3  ASP  23           1HB      ASP  23  17.707   2.089   1.642
  189    H    ARG  24           H        ARG  24  15.676   0.775   1.098
  190    HA   ARG  24           HA       ARG  24  16.331  -0.977  -1.072
  191    HB2  ARG  24           2HB      ARG  24  14.944  -1.331   1.567
  192    HB3  ARG  24           1HB      ARG  24  14.909  -2.619   0.376
  193    HG2  ARG  24           2HG      ARG  24  16.672  -2.894   2.085
  194    HG3  ARG  24           1HG      ARG  24  17.301  -2.825   0.440
  195    HD2  ARG  24           2HD      ARG  24  18.374  -0.868   0.791
  196    HD3  ARG  24           1HD      ARG  24  17.133  -0.260   1.885
  197    HE   ARG  24           HE       ARG  24  18.356  -2.277   3.278
  198   HH11  ARG  24          1HH1      ARG  24  19.470   0.632   1.677
  199   HH12  ARG  24          2HH1      ARG  24  20.730   0.931   2.835
  200   HH21  ARG  24          1HH2      ARG  24  20.018  -1.895   4.792
  201   HH22  ARG  24          2HH2      ARG  24  21.049  -0.503   4.607
  202    H    LEU  25           H        LEU  25  13.325   0.409   0.213
  203    HA   LEU  25           HA       LEU  25  11.622  -1.009  -1.535
  204    HB2  LEU  25           2HB      LEU  25  11.265   1.507   0.051
  205    HB3  LEU  25           1HB      LEU  25  10.029   0.974  -1.075
  206    HG   LEU  25           HG       LEU  25  11.005  -0.470   1.385
  207   HD11  LEU  25          1HD1      LEU  25   9.420   1.325   1.797
  208   HD12  LEU  25          2HD1      LEU  25   8.669  -0.247   2.082
  209   HD13  LEU  25          3HD1      LEU  25   8.317   0.644   0.602
  210   HD21  LEU  25          3HD2      LEU  25  10.667  -2.093  -0.404
  211   HD22  LEU  25          1HD2      LEU  25   9.063  -1.429  -0.718
  212   HD23  LEU  25          2HD2      LEU  25   9.402  -2.229   0.817
  213    H    MET  26           H        MET  26  13.399   2.012  -1.902
  214    HA   MET  26           HA       MET  26  12.137   2.865  -4.272
  215    HB2  MET  26           2HB      MET  26  14.875   3.367  -3.140
  216    HB3  MET  26           1HB      MET  26  14.424   3.985  -4.720
  217    HG2  MET  26           2HG      MET  26  12.785   4.560  -2.281
  218    HG3  MET  26           1HG      MET  26  14.191   5.529  -2.701
  219    HE1  MET  26           3HE      MET  26  10.471   4.604  -3.603
  220    HE2  MET  26           1HE      MET  26  11.345   3.876  -4.953
  221    HE3  MET  26           2HE      MET  26  10.315   5.282  -5.224
  222    H    GLU  27           H        GLU  27  14.972   0.786  -3.743
  223    HA   GLU  27           HA       GLU  27  15.501   0.438  -6.507
  224    HB2  GLU  27           2HB      GLU  27  16.985  -0.028  -4.400
  225    HB3  GLU  27           1HB      GLU  27  16.237  -1.620  -4.454
  226    HG2  GLU  27           2HG      GLU  27  18.395  -1.564  -5.598
  227    HG3  GLU  27           1HG      GLU  27  17.073  -1.977  -6.692
  228    H    ILE  28           H        ILE  28  13.752  -1.531  -4.131
  229    HA   ILE  28           HA       ILE  28  13.023  -3.609  -5.893
  230    HB   ILE  28           HB       ILE  28  11.613  -2.617  -3.407
  231   HG12  ILE  28          2HG1      ILE  28  13.486  -4.960  -3.812
  232   HG13  ILE  28          1HG1      ILE  28  13.949  -3.417  -3.103
  233   HG21  ILE  28          1HG2      ILE  28  10.084  -3.894  -4.823
  234   HG22  ILE  28          2HG2      ILE  28  10.493  -4.784  -3.356
  235   HG23  ILE  28          3HG2      ILE  28  11.247  -5.216  -4.889
  236   HD11  ILE  28          3HD1      ILE  28  13.560  -5.113  -1.398
  237   HD12  ILE  28          1HD1      ILE  28  11.908  -5.324  -1.979
  238   HD13  ILE  28          2HD1      ILE  28  12.399  -3.791  -1.260
  239    H    ALA  29           H        ALA  29  11.489  -0.535  -5.118
  240    HA   ALA  29           HA       ALA  29   9.052  -0.963  -6.478
  241    HB1  ALA  29           1HB      ALA  29   9.349   0.803  -4.816
  242    HB2  ALA  29           2HB      ALA  29   8.767   1.453  -6.349
  243    HB3  ALA  29           3HB      ALA  29  10.462   1.639  -5.898
  244    H    LYS  30           H        LYS  30  12.224  -0.094  -7.527
  245    HA   LYS  30           HA       LYS  30  11.458   0.978 -10.063
  246    HB2  LYS  30           2HB      LYS  30  13.601   1.511  -8.967
  247    HB3  LYS  30           1HB      LYS  30  14.089  -0.174  -9.122
  248    HG2  LYS  30           2HG      LYS  30  13.876   0.112 -11.614
  249    HG3  LYS  30           1HG      LYS  30  13.695   1.843 -11.316
  250    HD2  LYS  30           2HD      LYS  30  16.039   0.147 -10.458
  251    HD3  LYS  30           1HD      LYS  30  16.017   1.241 -11.843
  252    HE2  LYS  30           2HE      LYS  30  15.730   3.139 -10.405
  253    HE3  LYS  30           1HE      LYS  30  15.532   2.098  -8.994
  254    HZ1  LYS  30           3HZ      LYS  30  17.760   3.074  -9.158
  255    HZ2  LYS  30           1HZ      LYS  30  18.000   2.280 -10.634
  256    HZ3  LYS  30           2HZ      LYS  30  17.799   1.377  -9.209
  257    H    GLU  31           H        GLU  31  12.502  -2.141  -8.838
  258    HA   GLU  31           HA       GLU  31  12.703  -3.507 -11.282
  259    HB2  GLU  31           2HB      GLU  31  11.915  -4.677  -8.609
  260    HB3  GLU  31           1HB      GLU  31  12.596  -5.548  -9.976
  261    HG2  GLU  31           2HG      GLU  31  14.644  -4.136  -9.746
  262    HG3  GLU  31           1HG      GLU  31  13.958  -3.499  -8.251
  263    H    LYS  32           H        LYS  32   9.956  -2.926  -9.143
  264    HA   LYS  32           HA       LYS  32   8.261  -4.647 -10.785
  265    HB2  LYS  32           2HB      LYS  32   7.870  -3.351  -8.097
  266    HB3  LYS  32           1HB      LYS  32   6.528  -4.063  -8.977
  267    HG2  LYS  32           2HG      LYS  32   7.294  -5.647  -7.376
  268    HG3  LYS  32           1HG      LYS  32   7.758  -6.230  -8.972
  269    HD2  LYS  32           2HD      LYS  32  10.021  -5.647  -8.633
  270    HD3  LYS  32           1HD      LYS  32   9.639  -4.664  -7.221
  271    HE2  LYS  32           2HE      LYS  32  10.665  -6.778  -6.576
  272    HE3  LYS  32           1HE      LYS  32   9.008  -6.669  -5.985
  273    HZ1  LYS  32           3HZ      LYS  32   9.879  -8.154  -8.406
  274    HZ2  LYS  32           1HZ      LYS  32   8.294  -8.074  -7.803
  275    HZ3  LYS  32           2HZ      LYS  32   9.502  -8.848  -6.902
  276    H    ASN  33           H        ASN  33   9.157  -1.476 -10.776
  277    HA   ASN  33           HA       ASN  33   8.392   0.444 -11.706
  278    HB2  ASN  33           2HB      ASN  33   7.915  -1.193 -13.610
  279    HB3  ASN  33           1HB      ASN  33   6.242  -1.181 -13.065
  280   HD21  ASN  33          1HD2      ASN  33   8.802   0.668 -14.509
  281   HD22  ASN  33          2HD2      ASN  33   7.799   1.946 -15.125
  282    H    LEU  34           H        LEU  34   7.686   0.210  -9.244
  283    HA   LEU  34           HA       LEU  34   4.929   1.209  -9.054
  284    HB2  LEU  34           2HB      LEU  34   6.229  -0.796  -7.193
  285    HB3  LEU  34           1HB      LEU  34   4.686  -0.012  -6.903
  286    HG   LEU  34           HG       LEU  34   5.259  -1.869  -9.215
  287   HD11  LEU  34          1HD1      LEU  34   3.884  -3.479  -7.992
  288   HD12  LEU  34          2HD1      LEU  34   3.779  -2.360  -6.633
  289   HD13  LEU  34          3HD1      LEU  34   5.337  -3.053  -7.088
  290   HD21  LEU  34          3HD2      LEU  34   3.514  -0.213  -9.663
  291   HD22  LEU  34          1HD2      LEU  34   2.675  -0.699  -8.191
  292   HD23  LEU  34          2HD2      LEU  34   2.846  -1.839  -9.525
  293    H    THR  35           H        THR  35   4.632   2.451  -6.961
  294    HA   THR  35           HA       THR  35   7.192   3.559  -6.025
  295    HB   THR  35           HB       THR  35   5.924   5.382  -5.029
  296    HG1  THR  35           1HG      THR  35   3.560   4.216  -6.118
  297   HG21  THR  35          3HG2      THR  35   6.513   5.628  -7.398
  298   HG22  THR  35          1HG2      THR  35   4.980   6.424  -7.037
  299   HG23  THR  35          2HG2      THR  35   4.992   4.864  -7.857
  300    H    LEU  36           H        LEU  36   7.359   3.882  -3.621
  301    HA   LEU  36           HA       LEU  36   6.890   1.491  -2.247
  302    HB2  LEU  36           2HB      LEU  36   7.613   2.616  -0.244
  303    HB3  LEU  36           1HB      LEU  36   8.643   3.053  -1.587
  304    HG   LEU  36           HG       LEU  36   6.443   4.827  -0.516
  305   HD11  LEU  36          1HD1      LEU  36   8.237   6.075   0.581
  306   HD12  LEU  36          2HD1      LEU  36   9.405   4.863   0.053
  307   HD13  LEU  36          3HD1      LEU  36   8.134   4.425   1.195
  308   HD21  LEU  36          3HD2      LEU  36   8.740   5.316  -2.411
  309   HD22  LEU  36          1HD2      LEU  36   7.741   6.588  -1.704
  310   HD23  LEU  36          2HD2      LEU  36   7.017   5.396  -2.780
  311    H    SER  37           H        SER  37   5.026   4.471  -2.364
  312    HA   SER  37           HA       SER  37   3.053   3.870  -0.498
  313    HB2  SER  37           2HB      SER  37   2.616   5.276  -3.143
  314    HB3  SER  37           1HB      SER  37   1.693   5.486  -1.654
  315    HG   SER  37           HG       SER  37   3.058   7.097  -1.426
  316    H    ASP  38           H        ASP  38   3.282   2.991  -3.926
  317    HA   ASP  38           HA       ASP  38   0.811   1.637  -4.094
  318    HB2  ASP  38           2HB      ASP  38   3.344   1.340  -5.712
  319    HB3  ASP  38           1HB      ASP  38   1.853   0.484  -6.086
  320    H    VAL  39           H        VAL  39   4.107   0.484  -3.518
  321    HA   VAL  39           HA       VAL  39   3.493  -2.252  -3.365
  322    HB   VAL  39           HB       VAL  39   5.729  -0.772  -1.961
  323   HG11  VAL  39          1HG1      VAL  39   5.437  -2.988  -1.034
  324   HG12  VAL  39          2HG1      VAL  39   6.897  -2.945  -2.025
  325   HG13  VAL  39          3HG1      VAL  39   5.428  -3.693  -2.651
  326   HG21  VAL  39          3HG2      VAL  39   7.098  -1.413  -3.894
  327   HG22  VAL  39          1HG2      VAL  39   5.765  -0.354  -4.355
  328   HG23  VAL  39          2HG2      VAL  39   5.668  -2.085  -4.675
  329    H    CYS  40           H        CYS  40   3.380   0.309  -0.975
  330    HA   CYS  40           HA       CYS  40   3.123  -1.400   1.271
  331    HB2  CYS  40           2HB      CYS  40   3.768   1.173   1.030
  332    HB3  CYS  40           1HB      CYS  40   2.050   1.394   1.335
  333    HG   CYS  40           HG       CYS  40   2.831  -0.616   3.625
  334    H    ARG  41           H        ARG  41   0.621   0.599  -0.381
  335    HA   ARG  41           HA       ARG  41  -1.561  -0.526   0.877
  336    HB2  ARG  41           2HB      ARG  41  -2.895   0.309  -0.987
  337    HB3  ARG  41           1HB      ARG  41  -1.697   1.493  -0.497
  338    HG2  ARG  41           2HG      ARG  41  -1.496   1.656  -2.748
  339    HG3  ARG  41           1HG      ARG  41  -0.313   0.380  -2.452
  340    HD2  ARG  41           2HD      ARG  41  -1.674  -0.280  -4.317
  341    HD3  ARG  41           1HD      ARG  41  -2.094  -1.294  -2.935
  342    HE   ARG  41           HE       ARG  41  -3.727   1.077  -3.521
  343   HH11  ARG  41          1HH1      ARG  41  -3.412  -2.417  -3.401
  344   HH12  ARG  41          2HH1      ARG  41  -5.112  -2.709  -3.578
  345   HH21  ARG  41          1HH2      ARG  41  -5.966   0.694  -3.757
  346   HH22  ARG  41          2HH2      ARG  41  -6.568  -0.943  -3.772
  347    H    LEU  42           H        LEU  42   0.185  -1.707  -1.986
  348    HA   LEU  42           HA       LEU  42  -1.576  -3.865  -2.534
  349    HB2  LEU  42           2HB      LEU  42   1.376  -3.575  -3.119
  350    HB3  LEU  42           1HB      LEU  42   0.354  -4.841  -3.767
  351    HG   LEU  42           HG       LEU  42  -0.011  -1.894  -4.302
  352   HD11  LEU  42          1HD1      LEU  42   2.039  -2.731  -5.315
  353   HD12  LEU  42          2HD1      LEU  42   0.820  -2.414  -6.549
  354   HD13  LEU  42          3HD1      LEU  42   1.151  -4.070  -6.041
  355   HD21  LEU  42          3HD2      LEU  42  -1.554  -2.676  -6.056
  356   HD22  LEU  42          1HD2      LEU  42  -2.097  -3.117  -4.437
  357   HD23  LEU  42          2HD2      LEU  42  -1.349  -4.329  -5.475
  358    H    ALA  43           H        ALA  43   1.039  -3.371  -0.326
  359    HA   ALA  43           HA       ALA  43   1.412  -6.065   0.419
  360    HB1  ALA  43           1HB      ALA  43   2.668  -5.198   2.296
  361    HB2  ALA  43           2HB      ALA  43   2.039  -3.580   1.985
  362    HB3  ALA  43           3HB      ALA  43   3.107  -4.351   0.812
  363    H    ILE  44           H        ILE  44  -0.834  -3.580   1.333
  364    HA   ILE  44           HA       ILE  44  -1.740  -4.769   3.745
  365    HB   ILE  44           HB       ILE  44  -3.129  -2.829   1.890
  366   HG12  ILE  44          2HG1      ILE  44  -1.634  -2.483   4.495
  367   HG13  ILE  44          1HG1      ILE  44  -1.161  -1.877   2.910
  368   HG21  ILE  44          1HG2      ILE  44  -4.791  -4.078   3.148
  369   HG22  ILE  44          2HG2      ILE  44  -4.693  -2.418   3.737
  370   HG23  ILE  44          3HG2      ILE  44  -3.945  -3.726   4.654
  371   HD11  ILE  44          3HD1      ILE  44  -2.048  -0.090   4.282
  372   HD12  ILE  44          1HD1      ILE  44  -3.557  -0.980   4.499
  373   HD13  ILE  44          2HD1      ILE  44  -3.101  -0.391   2.902
  374    H    LYS  45           H        LYS  45  -2.738  -4.958   0.359
  375    HA   LYS  45           HA       LYS  45  -4.944  -6.640   0.721
  376    HB2  LYS  45           2HB      LYS  45  -4.319  -5.512  -1.424
  377    HB3  LYS  45           1HB      LYS  45  -3.036  -6.695  -1.621
  378    HG2  LYS  45           2HG      LYS  45  -5.037  -7.231  -2.941
  379    HG3  LYS  45           1HG      LYS  45  -4.648  -8.488  -1.763
  380    HD2  LYS  45           2HD      LYS  45  -6.352  -7.624  -0.255
  381    HD3  LYS  45           1HD      LYS  45  -6.716  -6.321  -1.386
  382    HE2  LYS  45           2HE      LYS  45  -8.362  -8.114  -1.548
  383    HE3  LYS  45           1HE      LYS  45  -7.446  -7.953  -3.045
  384    HZ1  LYS  45           3HZ      LYS  45  -7.801 -10.275  -2.294
  385    HZ2  LYS  45           1HZ      LYS  45  -6.828  -9.963  -0.941
  386    HZ3  LYS  45           2HZ      LYS  45  -6.169  -9.872  -2.502
  387    H    GLU  46           H        GLU  46  -1.507  -7.348   0.441
  388    HA   GLU  46           HA       GLU  46  -1.738 -10.185   0.480
  389    HB2  GLU  46           2HB      GLU  46   0.271  -8.948  -0.309
  390    HB3  GLU  46           1HB      GLU  46   0.563  -8.410   1.336
  391    HG2  GLU  46           2HG      GLU  46   2.036 -10.167   1.065
  392    HG3  GLU  46           1HG      GLU  46   0.682 -10.903   1.919
  393    H    TYR  47           H        TYR  47  -1.400  -7.666   2.864
  394    HA   TYR  47           HA       TYR  47  -0.895  -9.215   5.134
  395    HB2  TYR  47           2HB      TYR  47  -0.539  -6.796   5.034
  396    HB3  TYR  47           1HB      TYR  47  -2.265  -6.532   4.847
  397    HD1  TYR  47           1HD      TYR  47   0.395  -7.478   7.194
  398    HD2  TYR  47           2HD      TYR  47  -3.735  -6.576   6.751
  399    HE1  TYR  47           1HE      TYR  47   0.198  -7.236   9.632
  400    HE2  TYR  47           2HE      TYR  47  -3.950  -6.335   9.188
  401    HH   TYR  47           HH       TYR  47  -1.232  -6.157  11.264
  402    H    LEU  48           H        LEU  48  -3.914  -8.006   3.744
  403    HA   LEU  48           HA       LEU  48  -5.630  -9.041   5.730
  404    HB2  LEU  48           2HB      LEU  48  -6.209  -8.454   2.824
  405    HB3  LEU  48           1HB      LEU  48  -7.418  -8.716   4.067
  406    HG   LEU  48           HG       LEU  48  -5.459  -6.418   3.966
  407   HD11  LEU  48          1HD1      LEU  48  -7.214  -6.274   2.274
  408   HD12  LEU  48          2HD1      LEU  48  -7.420  -5.049   3.526
  409   HD13  LEU  48          3HD1      LEU  48  -8.440  -6.488   3.522
  410   HD21  LEU  48          3HD2      LEU  48  -5.971  -7.068   6.263
  411   HD22  LEU  48          1HD2      LEU  48  -7.696  -6.989   5.911
  412   HD23  LEU  48          2HD2      LEU  48  -6.718  -5.521   5.858
  413    H    ASP  49           H        ASP  49  -4.705 -10.292   2.537
  414    HA   ASP  49           HA       ASP  49  -6.314 -12.574   2.574
  415    HB2  ASP  49           2HB      ASP  49  -3.872 -11.768   1.062
  416    HB3  ASP  49           1HB      ASP  49  -4.438 -13.429   0.936
  417    H    ASN  50           H        ASN  50  -3.118 -12.052   3.930
  418    HA   ASN  50           HA       ASN  50  -2.772 -14.862   4.518
  419    HB2  ASN  50           2HB      ASN  50  -1.127 -12.409   5.065
  420    HB3  ASN  50           1HB      ASN  50  -0.756 -13.934   5.863
  421   HD21  ASN  50          1HD2      ASN  50  -0.856 -12.226   2.848
  422   HD22  ASN  50          2HD2      ASN  50   0.072 -13.363   1.928
  423    H    HIS  51           H        HIS  51  -4.212 -12.165   6.082
  424    HA   HIS  51           HA       HIS  51  -3.991 -13.429   8.709
  425    HB2  HIS  51           2HB      HIS  51  -4.814 -10.688   7.807
  426    HB3  HIS  51           1HB      HIS  51  -5.274 -11.268   9.404
  427    HD1  HIS  51           1HD      HIS  51  -3.761 -10.134  11.003
  428    HD2  HIS  51           2HD      HIS  51  -1.722 -11.508   7.642
  429    HE1  HIS  51           1HE      HIS  51  -1.329  -9.663  11.439
  430    HE2  HIS  51           2HE      HIS  51  -0.110 -10.435   9.367
  431    H    ASP  52           H        ASP  52  -6.278 -12.903   6.165
  432    HA   ASP  52           HA       ASP  52  -8.547 -13.648   7.836
  433    HB2  ASP  52           2HB      ASP  52  -8.860 -11.884   6.156
  434    HB3  ASP  52           1HB      ASP  52  -8.377 -12.997   4.879
  435    H    LYS  53           H        LYS  53  -9.649 -15.571   7.684
  436    HA   LYS  53           HA       LYS  53  -8.020 -17.769   6.737
  437    HB2  LYS  53           2HB      LYS  53 -10.569 -17.692   8.346
  438    HB3  LYS  53           1HB      LYS  53  -9.731 -19.173   7.909
  439    HG2  LYS  53           2HG      LYS  53  -7.757 -18.422   9.148
  440    HG3  LYS  53           1HG      LYS  53  -8.607 -16.940   9.586
  441    HD2  LYS  53           2HD      LYS  53 -10.242 -18.185  10.841
  442    HD3  LYS  53           1HD      LYS  53  -9.555 -19.716  10.293
  443    HE2  LYS  53           2HE      LYS  53  -8.085 -17.668  11.948
  444    HE3  LYS  53           1HE      LYS  53  -8.881 -19.100  12.600
  445    HZ1  LYS  53           3HZ      LYS  53  -6.736 -19.208  10.550
  446    HZ2  LYS  53           1HZ      LYS  53  -7.392 -20.505  11.426
  447    HZ3  LYS  53           2HZ      LYS  53  -6.444 -19.338  12.212
  448    H    GLN  54           H        GLN  54 -10.692 -16.009   5.575
  449    HA   GLN  54           HA       GLN  54 -11.771 -18.241   4.038
  450    HB2  GLN  54           2HB      GLN  54 -12.634 -15.387   4.448
  451    HB3  GLN  54           1HB      GLN  54 -13.315 -16.358   3.155
  452    HG2  GLN  54           2HG      GLN  54 -14.814 -16.436   4.987
  453    HG3  GLN  54           1HG      GLN  54 -14.040 -18.012   4.864
  454   HE21  GLN  54          1HE2      GLN  54 -12.692 -18.710   6.493
  455   HE22  GLN  54          2HE2      GLN  54 -12.587 -17.893   8.023
  456    H    LYS  55           H        LYS  55  -9.114 -17.551   3.431
  457    HA   LYS  55           HA       LYS  55  -9.459 -16.561   0.683
  458    HB2  LYS  55           2HB      LYS  55  -7.126 -15.996   2.525
  459    HB3  LYS  55           1HB      LYS  55  -7.190 -15.564   0.823
  460    HG2  LYS  55           2HG      LYS  55  -9.110 -14.557   2.914
  461    HG3  LYS  55           1HG      LYS  55  -7.692 -13.680   2.334
  462    HD2  LYS  55           2HD      LYS  55  -8.590 -13.462   0.163
  463    HD3  LYS  55           1HD      LYS  55  -9.848 -14.656   0.479
  464    HE2  LYS  55           2HE      LYS  55  -9.638 -12.005   1.894
  465    HE3  LYS  55           1HE      LYS  55 -10.641 -12.287   0.472
  466    HZ1  LYS  55           3HZ      LYS  55 -11.841 -13.986   1.716
  467    HZ2  LYS  55           1HZ      LYS  55 -11.936 -12.483   2.488
  468    HZ3  LYS  55           2HZ      LYS  55 -10.898 -13.676   3.093
  469    H    LYS  56           H        LYS  56  -6.590 -17.784   2.330
  470    HA   LYS  56           HA       LYS  56  -5.144 -19.452   1.847
  471    HB2  LYS  56           2HB      LYS  56  -7.678 -20.948   1.164
  472    HB3  LYS  56           1HB      LYS  56  -6.105 -21.683   1.435
  473    HG2  LYS  56           2HG      LYS  56  -6.147 -20.712   3.742
  474    HG3  LYS  56           1HG      LYS  56  -7.818 -20.233   3.439
  475    HD2  LYS  56           2HD      LYS  56  -8.341 -22.621   2.958
  476    HD3  LYS  56           1HD      LYS  56  -6.694 -23.033   3.438
  477    HE2  LYS  56           2HE      LYS  56  -8.121 -23.419   5.313
  478    HE3  LYS  56           1HE      LYS  56  -7.156 -21.984   5.654
  479    HZ1  LYS  56           3HZ      LYS  56  -9.955 -21.965   4.659
  480    HZ2  LYS  56           1HZ      LYS  56  -9.029 -20.601   5.055
  481    HZ3  LYS  56           2HZ      LYS  56  -9.490 -21.691   6.265
  482    H1   GLY   2           1HT      GLY   2  15.139  21.420  10.770
  483    H2   GLY   2           2HT      GLY   2  14.736  21.718  12.389
  484    H3   GLY   2           3HT      GLY   2  14.407  20.205  11.700
  485    HA2  GLY   2           1HA      GLY   2  17.097  21.355  12.193
  486    HA3  GLY   2           2HA      GLY   2  16.342  20.065  13.121
  487    H    ARG   3           H        ARG   3  18.737  20.454  11.130
  488    HA   ARG   3           HA       ARG   3  18.241  17.917   9.705
  489    HB2  ARG   3           2HB      ARG   3  19.653  20.384   8.690
  490    HB3  ARG   3           1HB      ARG   3  19.782  18.813   7.918
  491    HG2  ARG   3           2HG      ARG   3  17.355  18.823   7.528
  492    HG3  ARG   3           1HG      ARG   3  17.265  20.432   8.257
  493    HD2  ARG   3           2HD      ARG   3  17.362  20.491   5.775
  494    HD3  ARG   3           1HD      ARG   3  18.700  21.341   6.551
  495    HE   ARG   3           HE       ARG   3  19.187  18.571   5.810
  496   HH11  ARG   3          1HH1      ARG   3  19.560  21.957   4.890
  497   HH12  ARG   3          2HH1      ARG   3  20.881  21.619   3.814
  498   HH21  ARG   3          1HH2      ARG   3  20.919  18.165   4.440
  499   HH22  ARG   3          2HH2      ARG   3  21.670  19.474   3.567
  500    HA   PRO   4           HA       PRO   4  22.008  17.322  12.296
  501    HB2  PRO   4           2HB      PRO   4  21.120  14.520  12.222
  502    HB3  PRO   4           1HB      PRO   4  21.454  15.550  13.616
  503    HG2  PRO   4           2HG      PRO   4  18.952  14.801  12.964
  504    HG3  PRO   4           1HG      PRO   4  19.305  16.382  13.683
  505    HD2  PRO   4           2HD      PRO   4  18.767  15.680  10.820
  506    HD3  PRO   4           1HD      PRO   4  18.191  17.070  11.768
  507    H    TYR   5           H        TYR   5  20.897  14.694  10.187
  508    HA   TYR   5           HA       TYR   5  22.995  15.194   8.277
  509    HB2  TYR   5           2HB      TYR   5  23.761  12.755   8.358
  510    HB3  TYR   5           1HB      TYR   5  24.323  13.798   9.655
  511    HD1  TYR   5           1HD      TYR   5  23.158  13.646  11.906
  512    HD2  TYR   5           2HD      TYR   5  22.585  10.765   8.830
  513    HE1  TYR   5           1HE      TYR   5  22.330  12.043  13.571
  514    HE2  TYR   5           2HE      TYR   5  21.742   9.153  10.489
  515    HH   TYR   5           HH       TYR   5  21.955   8.754  12.954
  516    H    LYS   6           H        LYS   6  20.915  12.442   9.138
  517    HA   LYS   6           HA       LYS   6  19.529  12.729   6.575
  518    HB2  LYS   6           2HB      LYS   6  19.369  10.534   8.661
  519    HB3  LYS   6           1HB      LYS   6  18.481  10.554   7.146
  520    HG2  LYS   6           2HG      LYS   6  21.478  10.471   7.398
  521    HG3  LYS   6           1HG      LYS   6  20.431   9.090   7.083
  522    HD2  LYS   6           2HD      LYS   6  20.641  11.519   5.311
  523    HD3  LYS   6           1HD      LYS   6  21.504  10.005   5.041
  524    HE2  LYS   6           2HE      LYS   6  19.308   8.843   4.944
  525    HE3  LYS   6           1HE      LYS   6  18.517  10.416   5.059
  526    HZ1  LYS   6           3HZ      LYS   6  19.733  11.057   3.012
  527    HZ2  LYS   6           1HZ      LYS   6  18.632   9.792   2.775
  528    HZ3  LYS   6           2HZ      LYS   6  20.289   9.462   2.874
  529    H    LEU   7           H        LEU   7  17.064  12.048   6.974
  530    HA   LEU   7           HA       LEU   7  16.058  14.089   8.801
  531    HB2  LEU   7           2HB      LEU   7  14.656  12.503   6.649
  532    HB3  LEU   7           1HB      LEU   7  13.894  13.732   7.640
  533    HG   LEU   7           HG       LEU   7  16.145  14.197   5.684
  534   HD11  LEU   7          1HD1      LEU   7  14.452  15.425   4.410
  535   HD12  LEU   7          2HD1      LEU   7  13.224  14.929   5.574
  536   HD13  LEU   7          3HD1      LEU   7  14.037  13.719   4.581
  537   HD21  LEU   7          3HD2      LEU   7  16.314  15.731   7.549
  538   HD22  LEU   7          1HD2      LEU   7  14.600  16.128   7.411
  539   HD23  LEU   7          2HD2      LEU   7  15.716  16.584   6.126
  540    H    LEU   8           H        LEU   8  16.412  12.969  10.746
  541    HA   LEU   8           HA       LEU   8  15.655  11.877  12.591
  542    HB2  LEU   8           2HB      LEU   8  13.169  11.500  10.923
  543    HB3  LEU   8           1HB      LEU   8  13.281  11.176  12.642
  544    HG   LEU   8           HG       LEU   8  13.743  13.897  11.427
  545   HD11  LEU   8          1HD1      LEU   8  11.501  14.455  12.199
  546   HD12  LEU   8          2HD1      LEU   8  11.254  12.788  12.718
  547   HD13  LEU   8          3HD1      LEU   8  11.453  13.158  11.005
  548   HD21  LEU   8          3HD2      LEU   8  14.798  13.585  13.584
  549   HD22  LEU   8          1HD2      LEU   8  13.292  12.962  14.259
  550   HD23  LEU   8          2HD2      LEU   8  13.400  14.646  13.746
  551    H    ASN   9           H        ASN   9  16.636  10.360  10.006
  552    HA   ASN   9           HA       ASN   9  16.969   8.245   9.263
  553    HB2  ASN   9           2HB      ASN   9  16.584   7.642  12.202
  554    HB3  ASN   9           1HB      ASN   9  17.098   6.442  11.020
  555   HD21  ASN   9          1HD2      ASN   9  18.465   7.548  13.368
  556   HD22  ASN   9          2HD2      ASN   9  19.966   8.171  12.780
  557    H    GLY  10           H        GLY  10  14.329   9.379   9.210
  558    HA2  GLY  10           2HA      GLY  10  12.832   7.002   8.541
  559    HA3  GLY  10           1HA      GLY  10  12.179   7.894   9.913
  560    H    ILE  11           H        ILE  11  11.682   7.496   6.758
  561    HA   ILE  11           HA       ILE  11  11.602  10.368   6.087
  562    HB   ILE  11           HB       ILE  11  11.746   8.133   4.069
  563   HG12  ILE  11          2HG1      ILE  11  13.691   7.902   5.541
  564   HG13  ILE  11          1HG1      ILE  11  14.171   8.476   3.948
  565   HG21  ILE  11          1HG2      ILE  11  12.430  11.063   3.941
  566   HG22  ILE  11          2HG2      ILE  11  11.065  10.259   3.169
  567   HG23  ILE  11          3HG2      ILE  11  12.709   9.905   2.642
  568   HD11  ILE  11          3HD1      ILE  11  15.382   9.627   5.718
  569   HD12  ILE  11          1HD1      ILE  11  13.854  10.186   6.404
  570   HD13  ILE  11          2HD1      ILE  11  14.360  10.743   4.809
  571    H    LYS  12           H        LYS  12   9.890  10.976   4.500
  572    HA   LYS  12           HA       LYS  12   7.395   9.824   5.530
  573    HB2  LYS  12           2HB      LYS  12   7.993  12.262   5.887
  574    HB3  LYS  12           1HB      LYS  12   7.830  12.487   4.157
  575    HG2  LYS  12           2HG      LYS  12   5.568  11.402   5.792
  576    HG3  LYS  12           1HG      LYS  12   5.870  13.135   5.680
  577    HD2  LYS  12           2HD      LYS  12   5.751  12.907   3.189
  578    HD3  LYS  12           1HD      LYS  12   5.235  11.235   3.428
  579    HE2  LYS  12           2HE      LYS  12   3.277  12.570   3.115
  580    HE3  LYS  12           1HE      LYS  12   3.346  12.096   4.810
  581    HZ1  LYS  12           3HZ      LYS  12   4.136  14.736   3.695
  582    HZ2  LYS  12           1HZ      LYS  12   4.281  14.293   5.324
  583    HZ3  LYS  12           2HZ      LYS  12   2.749  14.415   4.611
  584    H    LEU  13           H        LEU  13   5.974   8.869   4.249
  585    HA   LEU  13           HA       LEU  13   6.244   9.184   1.346
  586    HB2  LEU  13           2HB      LEU  13   5.641   6.761   1.122
  587    HB3  LEU  13           1HB      LEU  13   7.248   7.076   1.745
  588    HG   LEU  13           HG       LEU  13   4.986   6.512   3.636
  589   HD11  LEU  13          1HD1      LEU  13   4.933   4.696   2.023
  590   HD12  LEU  13          2HD1      LEU  13   5.591   4.139   3.562
  591   HD13  LEU  13          3HD1      LEU  13   6.671   4.464   2.204
  592   HD21  LEU  13          3HD2      LEU  13   7.070   7.330   4.588
  593   HD22  LEU  13          1HD2      LEU  13   7.972   6.073   3.736
  594   HD23  LEU  13          2HD2      LEU  13   6.835   5.632   5.010
  595    H    GLY  14           H        GLY  14   4.366   9.345   0.237
  596    HA2  GLY  14           2HA      GLY  14   1.948   9.424   1.893
  597    HA3  GLY  14           1HA      GLY  14   2.169  10.286   0.380
  598    H    VAL  15           H        VAL  15   0.776   7.633   1.818
  599    HA   VAL  15           HA       VAL  15   0.672   6.136  -0.708
  600    HB   VAL  15           HB       VAL  15  -0.139   5.191   2.061
  601   HG11  VAL  15          1HG1      VAL  15   0.160   3.667  -0.521
  602   HG12  VAL  15          2HG1      VAL  15  -1.359   4.058   0.285
  603   HG13  VAL  15          3HG1      VAL  15  -0.205   2.967   1.055
  604   HG21  VAL  15          3HG2      VAL  15   2.345   4.567   0.472
  605   HG22  VAL  15          1HG2      VAL  15   1.895   3.845   2.016
  606   HG23  VAL  15          2HG2      VAL  15   2.268   5.568   1.921
  607    H    TYR  16           H        TYR  16  -1.289   5.696  -1.675
  608    HA   TYR  16           HA       TYR  16  -3.604   7.170  -0.598
  609    HB2  TYR  16           2HB      TYR  16  -2.570   7.930  -2.823
  610    HB3  TYR  16           1HB      TYR  16  -3.179   6.407  -3.469
  611    HD1  TYR  16           1HD      TYR  16  -5.055   8.196  -0.917
  612    HD2  TYR  16           2HD      TYR  16  -4.595   7.558  -5.088
  613    HE1  TYR  16           1HE      TYR  16  -7.237   9.232  -1.299
  614    HE2  TYR  16           2HE      TYR  16  -6.788   8.596  -5.492
  615    HH   TYR  16           HH       TYR  16  -8.509  10.284  -2.994
  616    H    ILE  17           H        ILE  17  -5.325   5.927  -0.042
  617    HA   ILE  17           HA       ILE  17  -5.621   3.335  -1.358
  618    HB   ILE  17           HB       ILE  17  -5.792   2.071   0.633
  619   HG12  ILE  17          2HG1      ILE  17  -5.402   4.625   2.201
  620   HG13  ILE  17          1HG1      ILE  17  -6.917   3.735   2.055
  621   HG21  ILE  17          1HG2      ILE  17  -3.554   2.340   1.642
  622   HG22  ILE  17          2HG2      ILE  17  -3.385   3.873   0.787
  623   HG23  ILE  17          3HG2      ILE  17  -3.530   2.368  -0.122
  624   HD11  ILE  17          3HD1      ILE  17  -4.384   2.830   3.396
  625   HD12  ILE  17          1HD1      ILE  17  -5.760   1.771   3.083
  626   HD13  ILE  17          2HD1      ILE  17  -5.944   3.169   4.151
  627    HA   PRO  18           HA       PRO  18  -9.902   4.139  -1.547
  628    HB2  PRO  18           2HB      PRO  18 -10.392   1.323  -0.799
  629    HB3  PRO  18           1HB      PRO  18 -10.820   2.184  -2.280
  630    HG2  PRO  18           2HG      PRO  18  -8.852   0.369  -2.235
  631    HG3  PRO  18           1HG      PRO  18  -8.751   1.825  -3.244
  632    HD2  PRO  18           2HD      PRO  18  -7.420   1.224  -0.633
  633    HD3  PRO  18           1HD      PRO  18  -6.789   2.078  -2.059
  634    H    GLN  19           H        GLN  19 -11.884   4.221  -0.374
  635    HA   GLN  19           HA       GLN  19 -11.497   4.614   2.432
  636    HB2  GLN  19           2HB      GLN  19 -13.772   5.366   2.507
  637    HB3  GLN  19           1HB      GLN  19 -13.036   6.002   1.043
  638    HG2  GLN  19           2HG      GLN  19 -14.627   5.095  -0.189
  639    HG3  GLN  19           1HG      GLN  19 -14.243   3.496   0.448
  640   HE21  GLN  19          1HE2      GLN  19 -14.899   4.153   3.183
  641   HE22  GLN  19          2HE2      GLN  19 -16.623   4.261   3.269
  642    H    GLU  20           H        GLU  20 -12.587   1.980   0.483
  643    HA   GLU  20           HA       GLU  20 -13.983   0.438   2.348
  644    HB2  GLU  20           2HB      GLU  20 -12.016  -0.517   0.250
  645    HB3  GLU  20           1HB      GLU  20 -13.211  -1.518   1.062
  646    HG2  GLU  20           2HG      GLU  20 -15.000  -0.178   0.047
  647    HG3  GLU  20           1HG      GLU  20 -13.784   0.788  -0.789
  648    H    TRP  21           H        TRP  21 -10.596   1.084   1.923
  649    HA   TRP  21           HA       TRP  21  -9.700  -0.837   3.866
  650    HB2  TRP  21           2HB      TRP  21  -8.358   1.433   2.403
  651    HB3  TRP  21           1HB      TRP  21  -7.529   0.479   3.624
  652    HD1  TRP  21           HD       TRP  21  -9.752  -1.636   1.433
  653    HE1  TRP  21           1HE      TRP  21  -8.274  -2.923  -0.256
  654    HE3  TRP  21           3HE      TRP  21  -5.371   0.824   2.204
  655    HZ2  TRP  21           2HZ      TRP  21  -5.552  -2.865  -1.124
  656    HZ3  TRP  21           3HZ      TRP  21  -3.396   0.171   0.936
  657    HH2  TRP  21           HH       TRP  21  -3.459  -1.616  -0.681
  658    H    HIS  22           H        HIS  22 -10.188   2.667   3.704
  659    HA   HIS  22           HA       HIS  22  -9.234   3.313   6.248
  660    HB2  HIS  22           2HB      HIS  22 -11.268   4.590   4.450
  661    HB3  HIS  22           1HB      HIS  22 -11.027   5.205   6.085
  662    HD1  HIS  22           1HD      HIS  22  -9.330   6.994   6.261
  663    HD2  HIS  22           2HD      HIS  22  -8.635   4.503   2.992
  664    HE1  HIS  22           1HE      HIS  22  -7.304   7.935   5.104
  665    HE2  HIS  22           2HE      HIS  22  -7.007   6.515   3.040
  666    H    ASP  23           H        ASP  23 -12.456   2.259   5.231
  667    HA   ASP  23           HA       ASP  23 -13.701   2.445   7.727
  668    HB2  ASP  23           2HB      ASP  23 -14.852   2.064   5.551
  669    HB3  ASP  23           1HB      ASP  23 -14.261   0.405   5.568
  670    H    ARG  24           H        ARG  24 -12.370  -0.518   6.201
  671    HA   ARG  24           HA       ARG  24 -12.845  -2.067   8.552
  672    HB2  ARG  24           2HB      ARG  24 -11.622  -2.554   5.886
  673    HB3  ARG  24           1HB      ARG  24 -11.224  -3.674   7.176
  674    HG2  ARG  24           2HG      ARG  24 -13.057  -4.521   5.857
  675    HG3  ARG  24           1HG      ARG  24 -13.605  -4.150   7.489
  676    HD2  ARG  24           2HD      ARG  24 -14.827  -2.318   6.802
  677    HD3  ARG  24           1HD      ARG  24 -13.902  -2.120   5.313
  678    HE   ARG  24           HE       ARG  24 -15.114  -4.544   5.026
  679   HH11  ARG  24          1HH1      ARG  24 -16.374  -1.354   5.831
  680   HH12  ARG  24          2HH1      ARG  24 -17.824  -1.580   4.904
  681   HH21  ARG  24          1HH2      ARG  24 -17.042  -4.810   3.822
  682   HH22  ARG  24          2HH2      ARG  24 -18.217  -3.522   3.795
  683    H    LEU  25           H        LEU  25  -9.870  -0.843   7.015
  684    HA   LEU  25           HA       LEU  25  -8.133  -2.152   8.828
  685    HB2  LEU  25           2HB      LEU  25  -7.618   0.211   7.025
  686    HB3  LEU  25           1HB      LEU  25  -6.378  -0.660   7.906
  687    HG   LEU  25           HG       LEU  25  -8.130  -1.809   5.733
  688   HD11  LEU  25          1HD1      LEU  25  -6.464  -0.256   4.889
  689   HD12  LEU  25          2HD1      LEU  25  -6.047  -1.913   4.455
  690   HD13  LEU  25          3HD1      LEU  25  -5.200  -1.107   5.775
  691   HD21  LEU  25          3HD2      LEU  25  -7.581  -3.481   7.423
  692   HD22  LEU  25          1HD2      LEU  25  -5.873  -3.063   7.297
  693   HD23  LEU  25          2HD2      LEU  25  -6.706  -3.793   5.924
  694    H    MET  26           H        MET  26  -9.411   1.185   8.727
  695    HA   MET  26           HA       MET  26  -7.823   2.006  10.943
  696    HB2  MET  26           2HB      MET  26 -10.288   3.231   9.725
  697    HB3  MET  26           1HB      MET  26  -9.397   3.959  11.059
  698    HG2  MET  26           2HG      MET  26  -7.398   4.080   9.679
  699    HG3  MET  26           1HG      MET  26  -8.260   3.310   8.348
  700    HE1  MET  26           3HE      MET  26  -8.027   6.494  10.645
  701    HE2  MET  26           1HE      MET  26  -9.698   5.969  10.849
  702    HE3  MET  26           2HE      MET  26  -9.344   7.478  10.008
  703    H    GLU  27           H        GLU  27 -10.918   0.383  10.695
  704    HA   GLU  27           HA       GLU  27 -11.606   0.654  13.420
  705    HB2  GLU  27           2HB      GLU  27 -13.130  -0.269  11.682
  706    HB3  GLU  27           1HB      GLU  27 -12.130  -1.711  11.607
  707    HG2  GLU  27           2HG      GLU  27 -14.139  -2.052  12.949
  708    HG3  GLU  27           1HG      GLU  27 -12.670  -2.246  13.905
  709    H    ILE  28           H        ILE  28  -9.537  -1.611  11.692
  710    HA   ILE  28           HA       ILE  28  -8.794  -3.197  13.922
  711    HB   ILE  28           HB       ILE  28  -7.214  -2.620  11.401
  712   HG12  ILE  28          2HG1      ILE  28  -9.074  -4.923  12.031
  713   HG13  ILE  28          1HG1      ILE  28  -9.475  -3.562  10.987
  714   HG21  ILE  28          1HG2      ILE  28  -6.085  -4.750  11.880
  715   HG22  ILE  28          2HG2      ILE  28  -6.961  -4.853  13.408
  716   HG23  ILE  28          3HG2      ILE  28  -5.805  -3.548  13.138
  717   HD11  ILE  28          3HD1      ILE  28  -7.287  -5.575  10.494
  718   HD12  ILE  28          1HD1      ILE  28  -7.700  -4.218   9.446
  719   HD13  ILE  28          2HD1      ILE  28  -8.859  -5.525   9.693
  720    H    ALA  29           H        ALA  29  -7.538  -0.261  12.485
  721    HA   ALA  29           HA       ALA  29  -5.201   0.011  14.037
  722    HB1  ALA  29           1HB      ALA  29  -5.563   1.255  11.973
  723    HB2  ALA  29           2HB      ALA  29  -5.244   2.352  13.319
  724    HB3  ALA  29           3HB      ALA  29  -6.892   2.137  12.729
  725    H    LYS  30           H        LYS  30  -8.532   0.617  14.676
  726    HA   LYS  30           HA       LYS  30  -8.135   2.360  16.921
  727    HB2  LYS  30           2HB      LYS  30 -10.183   2.198  15.393
  728    HB3  LYS  30           1HB      LYS  30 -10.583   0.722  16.262
  729    HG2  LYS  30           2HG      LYS  30 -10.544   2.125  18.373
  730    HG3  LYS  30           1HG      LYS  30 -10.502   3.533  17.309
  731    HD2  LYS  30           2HD      LYS  30 -12.636   1.403  17.405
  732    HD3  LYS  30           1HD      LYS  30 -12.787   3.075  17.944
  733    HE2  LYS  30           2HE      LYS  30 -12.535   3.872  15.679
  734    HE3  LYS  30           1HE      LYS  30 -12.221   2.235  15.102
  735    HZ1  LYS  30           3HZ      LYS  30 -14.508   2.945  14.686
  736    HZ2  LYS  30           1HZ      LYS  30 -14.760   3.149  16.346
  737    HZ3  LYS  30           2HZ      LYS  30 -14.455   1.603  15.712
  738    H    GLU  31           H        GLU  31  -8.619  -1.032  16.322
  739    HA   GLU  31           HA       GLU  31  -9.011  -1.910  18.967
  740    HB2  GLU  31           2HB      GLU  31  -7.832  -3.398  16.611
  741    HB3  GLU  31           1HB      GLU  31  -8.382  -4.137  18.106
  742    HG2  GLU  31           2HG      GLU  31 -10.650  -3.453  17.659
  743    HG3  GLU  31           1HG      GLU  31 -10.134  -2.596  16.208
  744    H    LYS  32           H        LYS  32  -6.069  -1.608  16.987
  745    HA   LYS  32           HA       LYS  32  -4.480  -2.708  19.179
  746    HB2  LYS  32           2HB      LYS  32  -3.853  -2.174  16.287
  747    HB3  LYS  32           1HB      LYS  32  -2.604  -2.585  17.447
  748    HG2  LYS  32           2HG      LYS  32  -3.119  -4.594  16.391
  749    HG3  LYS  32           1HG      LYS  32  -3.975  -4.676  17.931
  750    HD2  LYS  32           2HD      LYS  32  -6.057  -4.172  16.887
  751    HD3  LYS  32           1HD      LYS  32  -5.263  -3.767  15.363
  752    HE2  LYS  32           2HE      LYS  32  -6.266  -5.955  15.189
  753    HE3  LYS  32           1HE      LYS  32  -4.513  -6.107  15.168
  754    HZ1  LYS  32           3HZ      LYS  32  -6.335  -6.681  17.438
  755    HZ2  LYS  32           1HZ      LYS  32  -4.643  -6.640  17.577
  756    HZ3  LYS  32           2HZ      LYS  32  -5.380  -7.787  16.571
  757    H    ASN  33           H        ASN  33  -5.447   0.309  18.321
  758    HA   ASN  33           HA       ASN  33  -4.749   2.432  18.745
  759    HB2  ASN  33           2HB      ASN  33  -4.192   1.588  20.998
  760    HB3  ASN  33           1HB      ASN  33  -2.603   1.102  20.423
  761   HD21  ASN  33          1HD2      ASN  33  -4.328   4.078  19.615
  762   HD22  ASN  33          2HD2      ASN  33  -3.168   5.142  20.338
  763    H    LEU  34           H        LEU  34  -4.185   1.806  16.388
  764    HA   LEU  34           HA       LEU  34  -1.433   2.687  15.857
  765    HB2  LEU  34           2HB      LEU  34  -2.916   0.475  14.420
  766    HB3  LEU  34           1HB      LEU  34  -1.384   1.153  13.900
  767    HG   LEU  34           HG       LEU  34  -1.815  -0.307  16.507
  768   HD11  LEU  34          1HD1      LEU  34  -0.538  -1.247  13.942
  769   HD12  LEU  34          2HD1      LEU  34  -2.083  -1.798  14.592
  770   HD13  LEU  34          3HD1      LEU  34  -0.587  -2.139  15.463
  771   HD21  LEU  34          3HD2      LEU  34   0.677   0.684  15.130
  772   HD22  LEU  34          1HD2      LEU  34   0.652  -0.350  16.559
  773   HD23  LEU  34          2HD2      LEU  34  -0.002   1.286  16.642
  774    H    THR  35           H        THR  35  -1.252   3.526  13.554
  775    HA   THR  35           HA       THR  35  -3.788   4.792  12.766
  776    HB   THR  35           HB       THR  35  -2.413   6.306  11.381
  777    HG1  THR  35           1HG      THR  35  -0.221   4.868  12.540
  778   HG21  THR  35          3HG2      THR  35  -1.565   6.144  14.273
  779   HG22  THR  35          1HG2      THR  35  -2.954   7.019  13.630
  780   HG23  THR  35          2HG2      THR  35  -1.319   7.541  13.226
  781    H    LEU  36           H        LEU  36  -4.248   4.855  10.385
  782    HA   LEU  36           HA       LEU  36  -4.050   2.296   9.239
  783    HB2  LEU  36           2HB      LEU  36  -5.050   3.155   7.297
  784    HB3  LEU  36           1HB      LEU  36  -5.732   4.069   8.625
  785    HG   LEU  36           HG       LEU  36  -3.470   5.112   6.926
  786   HD11  LEU  36          1HD1      LEU  36  -5.341   4.641   5.474
  787   HD12  LEU  36          2HD1      LEU  36  -5.187   6.382   5.714
  788   HD13  LEU  36          3HD1      LEU  36  -6.437   5.482   6.572
  789   HD21  LEU  36          3HD2      LEU  36  -5.474   6.503   8.703
  790   HD22  LEU  36          1HD2      LEU  36  -4.215   7.284   7.749
  791   HD23  LEU  36          2HD2      LEU  36  -3.776   6.221   9.085
  792    H    SER  37           H        SER  37  -2.028   5.112   8.998
  793    HA   SER  37           HA       SER  37  -0.306   4.391   6.945
  794    HB2  SER  37           2HB      SER  37   0.469   5.766   9.531
  795    HB3  SER  37           1HB      SER  37   1.260   5.919   7.961
  796    HG   SER  37           HG       SER  37  -0.016   7.649   7.991
  797    H    ASP  38           H        ASP  38  -0.334   3.470  10.361
  798    HA   ASP  38           HA       ASP  38   2.089   2.022  10.366
  799    HB2  ASP  38           2HB      ASP  38  -0.368   1.813  12.110
  800    HB3  ASP  38           1HB      ASP  38   1.067   0.829  12.366
  801    H    VAL  39           H        VAL  39  -1.240   1.124   9.649
  802    HA   VAL  39           HA       VAL  39  -0.862  -1.662   9.579
  803    HB   VAL  39           HB       VAL  39  -2.862  -0.041   7.991
  804   HG11  VAL  39          1HG1      VAL  39  -2.885  -2.943   8.824
  805   HG12  VAL  39          2HG1      VAL  39  -2.681  -2.329   7.183
  806   HG13  VAL  39          3HG1      VAL  39  -4.211  -2.096   8.027
  807   HG21  VAL  39          3HG2      VAL  39  -2.992   0.471  10.370
  808   HG22  VAL  39          1HG2      VAL  39  -3.106  -1.250  10.743
  809   HG23  VAL  39          2HG2      VAL  39  -4.400  -0.455   9.850
  810    H    CYS  40           H        CYS  40  -0.496   0.814   7.077
  811    HA   CYS  40           HA       CYS  40  -0.131  -1.010   4.942
  812    HB2  CYS  40           2HB      CYS  40  -0.639   1.586   4.948
  813    HB3  CYS  40           1HB      CYS  40   1.109   1.724   4.844
  814    HG   CYS  40           HG       CYS  40   0.067  -0.455   2.631
  815    H    ARG  41           H        ARG  41   2.333   1.028   6.568
  816    HA   ARG  41           HA       ARG  41   4.555  -0.306   5.613
  817    HB2  ARG  41           2HB      ARG  41   5.774   0.652   7.569
  818    HB3  ARG  41           1HB      ARG  41   4.839   1.812   6.640
  819    HG2  ARG  41           2HG      ARG  41   4.292   2.475   8.731
  820    HG3  ARG  41           1HG      ARG  41   3.015   1.287   8.473
  821    HD2  ARG  41           2HD      ARG  41   3.882   0.863  10.634
  822    HD3  ARG  41           1HD      ARG  41   4.541  -0.399   9.590
  823    HE   ARG  41           HE       ARG  41   6.451   1.545   9.562
  824   HH11  ARG  41          1HH1      ARG  41   4.806  -0.224  12.085
  825   HH12  ARG  41          2HH1      ARG  41   6.128  -0.132  13.206
  826   HH21  ARG  41          1HH2      ARG  41   8.207   1.691  11.039
  827   HH22  ARG  41          2HH2      ARG  41   8.056   0.972  12.616
  828    H    LEU  42           H        LEU  42   2.524  -1.259   8.357
  829    HA   LEU  42           HA       LEU  42   4.334  -3.290   9.253
  830    HB2  LEU  42           2HB      LEU  42   1.380  -2.895   9.682
  831    HB3  LEU  42           1HB      LEU  42   2.260  -4.251  10.359
  832    HG   LEU  42           HG       LEU  42   2.799  -1.339  10.951
  833   HD11  LEU  42          1HD1      LEU  42   0.709  -2.113  11.934
  834   HD12  LEU  42          2HD1      LEU  42   1.934  -1.876  13.181
  835   HD13  LEU  42          3HD1      LEU  42   1.536  -3.504  12.632
  836   HD21  LEU  42          3HD2      LEU  42   4.321  -2.194  12.661
  837   HD22  LEU  42          1HD2      LEU  42   4.825  -2.700  11.048
  838   HD23  LEU  42          2HD2      LEU  42   4.014  -3.843  12.118
  839    H    ALA  43           H        ALA  43   2.026  -3.021   6.733
  840    HA   ALA  43           HA       ALA  43   1.636  -5.806   6.316
  841    HB1  ALA  43           1HB      ALA  43   1.140  -3.500   4.447
  842    HB2  ALA  43           2HB      ALA  43  -0.014  -4.162   5.606
  843    HB3  ALA  43           3HB      ALA  43   0.539  -5.146   4.250
  844    H    ILE  44           H        ILE  44   3.877  -3.388   4.983
  845    HA   ILE  44           HA       ILE  44   4.959  -5.182   3.044
  846    HB   ILE  44           HB       ILE  44   6.983  -3.601   3.100
  847   HG12  ILE  44          2HG1      ILE  44   5.048  -2.112   4.864
  848   HG13  ILE  44          1HG1      ILE  44   6.727  -2.523   5.202
  849   HG21  ILE  44          1HG2      ILE  44   5.736  -1.886   1.803
  850   HG22  ILE  44          2HG2      ILE  44   4.243  -2.678   2.309
  851   HG23  ILE  44          3HG2      ILE  44   5.410  -3.552   1.320
  852   HD11  ILE  44          3HD1      ILE  44   7.471  -0.961   3.490
  853   HD12  ILE  44          1HD1      ILE  44   6.474  -0.155   4.701
  854   HD13  ILE  44          2HD1      ILE  44   5.795  -0.552   3.121
  855    H    LYS  45           H        LYS  45   5.696  -4.419   6.395
  856    HA   LYS  45           HA       LYS  45   7.995  -5.986   6.673
  857    HB2  LYS  45           2HB      LYS  45   7.094  -4.484   8.440
  858    HB3  LYS  45           1HB      LYS  45   5.779  -5.619   8.703
  859    HG2  LYS  45           2HG      LYS  45   7.502  -5.872  10.394
  860    HG3  LYS  45           1HG      LYS  45   7.382  -7.327   9.401
  861    HD2  LYS  45           2HD      LYS  45   9.319  -6.624   8.108
  862    HD3  LYS  45           1HD      LYS  45   9.421  -5.130   9.043
  863    HE2  LYS  45           2HE      LYS  45  11.056  -6.730   9.842
  864    HE3  LYS  45           1HE      LYS  45   9.828  -6.451  11.073
  865    HZ1  LYS  45           3HZ      LYS  45  10.445  -8.812  10.780
  866    HZ2  LYS  45           1HZ      LYS  45   9.815  -8.768   9.209
  867    HZ3  LYS  45           2HZ      LYS  45   8.796  -8.527  10.539
  868    H    GLU  46           H        GLU  46   4.586  -6.828   6.745
  869    HA   GLU  46           HA       GLU  46   4.912  -9.584   7.379
  870    HB2  GLU  46           2HB      GLU  46   2.814  -8.248   7.696
  871    HB3  GLU  46           1HB      GLU  46   2.631  -8.186   5.952
  872    HG2  GLU  46           2HG      GLU  46   1.193  -9.875   6.595
  873    HG3  GLU  46           1HG      GLU  46   2.628 -10.744   6.053
  874    H    TYR  47           H        TYR  47   4.656  -7.684   4.440
  875    HA   TYR  47           HA       TYR  47   4.419  -9.769   2.596
  876    HB2  TYR  47           2HB      TYR  47   3.971  -7.373   2.107
  877    HB3  TYR  47           1HB      TYR  47   5.701  -7.058   2.188
  878    HD1  TYR  47           1HD      TYR  47   3.008  -8.584   0.229
  879    HD2  TYR  47           2HD      TYR  47   7.169  -7.721   0.374
  880    HE1  TYR  47           1HE      TYR  47   3.189  -9.106  -2.161
  881    HE2  TYR  47           2HE      TYR  47   7.363  -8.241  -2.023
  882    HH   TYR  47           HH       TYR  47   4.613  -8.678  -4.038
  883    H    LEU  48           H        LEU  48   7.233  -8.118   3.927
  884    HA   LEU  48           HA       LEU  48   9.185  -9.444   2.394
  885    HB2  LEU  48           2HB      LEU  48   9.377  -8.278   5.170
  886    HB3  LEU  48           1HB      LEU  48  10.749  -8.780   4.200
  887    HG   LEU  48           HG       LEU  48   8.845  -6.526   3.542
  888   HD11  LEU  48          1HD1      LEU  48  10.368  -6.010   5.379
  889   HD12  LEU  48          2HD1      LEU  48  10.782  -5.094   3.930
  890   HD13  LEU  48          3HD1      LEU  48  11.740  -6.501   4.386
  891   HD21  LEU  48          3HD2      LEU  48  10.359  -6.055   1.684
  892   HD22  LEU  48          1HD2      LEU  48   9.639  -7.657   1.527
  893   HD23  LEU  48          2HD2      LEU  48  11.304  -7.489   2.084
  894    H    ASP  49           H        ASP  49   7.993 -10.076   5.683
  895    HA   ASP  49           HA       ASP  49   9.631 -12.250   6.261
  896    HB2  ASP  49           2HB      ASP  49   7.030 -11.253   7.311
  897    HB3  ASP  49           1HB      ASP  49   7.574 -12.849   7.818
  898    H    ASN  50           H        ASN  50   6.456 -12.236   4.670
  899    HA   ASN  50           HA       ASN  50   6.276 -15.112   4.733
  900    HB2  ASN  50           2HB      ASN  50   4.588 -12.980   3.434
  901    HB3  ASN  50           1HB      ASN  50   4.278 -14.697   3.188
  902   HD21  ASN  50          1HD2      ASN  50   4.275 -12.081   5.474
  903   HD22  ASN  50          2HD2      ASN  50   3.332 -12.870   6.693
  904    H    HIS  51           H        HIS  51   7.488 -12.744   2.504
  905    HA   HIS  51           HA       HIS  51   7.694 -14.756   0.385
  906    HB2  HIS  51           2HB      HIS  51   8.105 -11.779   0.441
  907    HB3  HIS  51           1HB      HIS  51   8.718 -12.751  -0.892
  908    HD1  HIS  51           1HD      HIS  51   7.072 -13.450  -2.669
  909    HD2  HIS  51           2HD      HIS  51   5.234 -11.783   0.671
  910    HE1  HIS  51           1HE      HIS  51   4.658 -13.126  -3.313
  911    HE2  HIS  51           2HE      HIS  51   3.540 -12.183  -1.254
  912    H    ASP  52           H        ASP  52   9.427 -13.821   2.998
  913    HA   ASP  52           HA       ASP  52  12.054 -14.152   1.755
  914    HB2  ASP  52           2HB      ASP  52  11.614 -12.275   3.376
  915    HB3  ASP  52           1HB      ASP  52  11.406 -13.489   4.632
  916    H    LYS  53           H        LYS  53  12.807 -16.149   1.628
  917    HA   LYS  53           HA       LYS  53  11.585 -18.212   3.235
  918    HB2  LYS  53           2HB      LYS  53  13.621 -18.399   1.013
  919    HB3  LYS  53           1HB      LYS  53  12.835 -19.771   1.790
  920    HG2  LYS  53           2HG      LYS  53  10.643 -18.846   1.070
  921    HG3  LYS  53           1HG      LYS  53  11.517 -17.605   0.170
  922    HD2  LYS  53           2HD      LYS  53  12.593 -19.320  -1.175
  923    HD3  LYS  53           1HD      LYS  53  11.773 -20.579  -0.250
  924    HE2  LYS  53           2HE      LYS  53  10.460 -18.481  -1.974
  925    HE3  LYS  53           1HE      LYS  53  10.625 -20.195  -2.351
  926    HZ1  LYS  53           3HZ      LYS  53   8.959 -18.944  -0.239
  927    HZ2  LYS  53           1HZ      LYS  53   9.312 -20.604  -0.256
  928    HZ3  LYS  53           2HZ      LYS  53   8.454 -19.908  -1.540
  929    H    GLN  54           H        GLN  54  13.988 -16.140   3.875
  930    HA   GLN  54           HA       GLN  54  15.687 -18.045   5.265
  931    HB2  GLN  54           2HB      GLN  54  15.669 -15.034   5.090
  932    HB3  GLN  54           1HB      GLN  54  16.678 -15.881   6.252
  933    HG2  GLN  54           2HG      GLN  54  18.013 -15.339   4.358
  934    HG3  GLN  54           1HG      GLN  54  17.751 -17.080   4.362
  935   HE21  GLN  54          1HE2      GLN  54  16.544 -18.014   2.745
  936   HE22  GLN  54          2HE2      GLN  54  16.101 -17.163   1.301
  937    H    LYS  55           H        LYS  55  12.975 -15.968   5.802
  938    HA   LYS  55           HA       LYS  55  12.957 -16.247   8.671
  939    HB2  LYS  55           2HB      LYS  55  10.660 -15.435   6.881
  940    HB3  LYS  55           1HB      LYS  55  10.843 -15.101   8.597
  941    HG2  LYS  55           2HG      LYS  55  12.601 -13.989   6.423
  942    HG3  LYS  55           1HG      LYS  55  11.252 -13.138   7.176
  943    HD2  LYS  55           2HD      LYS  55  12.359 -13.161   9.310
  944    HD3  LYS  55           1HD      LYS  55  13.648 -14.191   8.676
  945    HE2  LYS  55           2HE      LYS  55  13.024 -11.416   7.672
  946    HE3  LYS  55           1HE      LYS  55  14.275 -11.789   8.859
  947    HZ1  LYS  55           3HZ      LYS  55  15.131 -11.584   6.574
  948    HZ2  LYS  55           1HZ      LYS  55  14.182 -12.915   6.105
  949    HZ3  LYS  55           2HZ      LYS  55  15.422 -13.113   7.246
  950    H    LYS  56           H        LYS  56  10.935 -17.441   6.010
  951    HA   LYS  56           HA       LYS  56   9.559 -19.211   5.770
  952    HB2  LYS  56           2HB      LYS  56  11.403 -20.400   7.846
  953    HB3  LYS  56           1HB      LYS  56  10.093 -21.303   7.098
  954    HG2  LYS  56           2HG      LYS  56  11.127 -20.863   4.882
  955    HG3  LYS  56           1HG      LYS  56  12.489 -20.109   5.714
  956    HD2  LYS  56           2HD      LYS  56  13.019 -22.174   6.827
  957    HD3  LYS  56           1HD      LYS  56  11.564 -22.940   6.189
  958    HE2  LYS  56           2HE      LYS  56  13.425 -23.698   4.892
  959    HE3  LYS  56           1HE      LYS  56  12.482 -22.596   3.893
  960    HZ1  LYS  56           3HZ      LYS  56  14.937 -21.834   5.382
  961    HZ2  LYS  56           1HZ      LYS  56  14.078 -20.865   4.287
  962    HZ3  LYS  56           2HZ      LYS  56  14.902 -22.242   3.734
  Start of MODEL    5
    1    H1   GLY   2           1HT      GLY   2 -12.910  14.723 -11.258
    2    H2   GLY   2           2HT      GLY   2 -14.015  15.789 -10.543
    3    H3   GLY   2           3HT      GLY   2 -14.568  14.514 -11.508
    4    HA2  GLY   2           1HA      GLY   2 -13.709  12.905  -9.918
    5    HA3  GLY   2           2HA      GLY   2 -13.169  14.241  -8.910
    6    H    ARG   3           H        ARG   3 -14.469  13.463  -7.205
    7    HA   ARG   3           HA       ARG   3 -16.300  13.363  -5.878
    8    HB2  ARG   3           2HB      ARG   3 -17.151  15.482  -7.832
    9    HB3  ARG   3           1HB      ARG   3 -18.227  14.947  -6.551
   10    HG2  ARG   3           2HG      ARG   3 -15.476  16.105  -6.139
   11    HG3  ARG   3           1HG      ARG   3 -16.994  16.989  -5.973
   12    HD2  ARG   3           2HD      ARG   3 -15.970  14.709  -4.292
   13    HD3  ARG   3           1HD      ARG   3 -16.347  16.356  -3.785
   14    HE   ARG   3           HE       ARG   3 -18.630  15.002  -4.870
   15   HH11  ARG   3          1HH1      ARG   3 -16.785  15.545  -1.924
   16   HH12  ARG   3          2HH1      ARG   3 -18.051  14.949  -0.895
   17   HH21  ARG   3          1HH2      ARG   3 -20.270  14.239  -3.502
   18   HH22  ARG   3          2HH2      ARG   3 -20.025  14.226  -1.780
   19    HA   PRO   4           HA       PRO   4 -18.437  10.406  -8.829
   20    HB2  PRO   4           2HB      PRO   4 -17.780   8.503  -6.669
   21    HB3  PRO   4           1HB      PRO   4 -17.542   8.344  -8.412
   22    HG2  PRO   4           2HG      PRO   4 -15.474   8.717  -6.747
   23    HG3  PRO   4           1HG      PRO   4 -15.506   9.440  -8.367
   24    HD2  PRO   4           2HD      PRO   4 -16.069  10.705  -5.711
   25    HD3  PRO   4           1HD      PRO   4 -15.164  11.351  -7.098
   26    H    TYR   5           H        TYR   5 -18.451   9.776  -5.333
   27    HA   TYR   5           HA       TYR   5 -21.012  11.013  -5.012
   28    HB2  TYR   5           2HB      TYR   5 -22.077   8.968  -3.989
   29    HB3  TYR   5           1HB      TYR   5 -21.900   8.932  -5.735
   30    HD1  TYR   5           1HD      TYR   5 -19.992   7.557  -6.712
   31    HD2  TYR   5           2HD      TYR   5 -21.207   7.251  -2.646
   32    HE1  TYR   5           1HE      TYR   5 -18.901   5.364  -6.558
   33    HE2  TYR   5           2HE      TYR   5 -20.113   5.053  -2.480
   34    HH   TYR   5           HH       TYR   5 -19.438   3.205  -4.038
   35    H    LYS   6           H        LYS   6 -18.828   8.698  -3.405
   36    HA   LYS   6           HA       LYS   6 -19.106  10.227  -0.932
   37    HB2  LYS   6           2HB      LYS   6 -19.334   7.794  -0.776
   38    HB3  LYS   6           1HB      LYS   6 -17.739   7.582  -1.482
   39    HG2  LYS   6           2HG      LYS   6 -16.725   8.653   0.457
   40    HG3  LYS   6           1HG      LYS   6 -18.325   8.910   1.156
   41    HD2  LYS   6           2HD      LYS   6 -17.179   6.205   0.479
   42    HD3  LYS   6           1HD      LYS   6 -17.121   6.939   2.083
   43    HE2  LYS   6           2HE      LYS   6 -19.655   6.403   0.544
   44    HE3  LYS   6           1HE      LYS   6 -18.985   5.311   1.756
   45    HZ1  LYS   6           3HZ      LYS   6 -19.798   8.128   2.264
   46    HZ2  LYS   6           1HZ      LYS   6 -19.243   7.015   3.420
   47    HZ3  LYS   6           2HZ      LYS   6 -20.729   6.762   2.643
   48    H    LEU   7           H        LEU   7 -17.973  12.042  -1.793
   49    HA   LEU   7           HA       LEU   7 -16.191  13.415  -2.008
   50    HB2  LEU   7           2HB      LEU   7 -14.942  11.260  -0.320
   51    HB3  LEU   7           1HB      LEU   7 -14.033  12.665  -0.838
   52    HG   LEU   7           HG       LEU   7 -15.755  14.099   0.308
   53   HD11  LEU   7          1HD1      LEU   7 -17.582  12.495   0.390
   54   HD12  LEU   7          2HD1      LEU   7 -17.163  13.056   2.009
   55   HD13  LEU   7          3HD1      LEU   7 -16.641  11.462   1.466
   56   HD21  LEU   7          3HD2      LEU   7 -13.589  13.625   1.311
   57   HD22  LEU   7          1HD2      LEU   7 -14.229  12.141   2.018
   58   HD23  LEU   7          2HD2      LEU   7 -14.849  13.706   2.543
   59    H    LEU   8           H        LEU   8 -14.016  10.671  -2.030
   60    HA   LEU   8           HA       LEU   8 -13.811  10.792  -4.955
   61    HB2  LEU   8           2HB      LEU   8 -11.531  11.080  -3.001
   62    HB3  LEU   8           1HB      LEU   8 -11.297  10.662  -4.686
   63    HG   LEU   8           HG       LEU   8 -12.574  13.220  -3.713
   64   HD11  LEU   8          1HD1      LEU   8 -10.493  14.290  -4.416
   65   HD12  LEU   8          2HD1      LEU   8  -9.804  12.710  -4.789
   66   HD13  LEU   8          3HD1      LEU   8 -10.211  13.123  -3.123
   67   HD21  LEU   8          3HD2      LEU   8 -12.304  13.936  -6.042
   68   HD22  LEU   8          1HD2      LEU   8 -13.365  12.533  -5.911
   69   HD23  LEU   8          2HD2      LEU   8 -11.702  12.333  -6.462
   70    H    ASN   9           H        ASN   9 -14.668   8.976  -2.595
   71    HA   ASN   9           HA       ASN   9 -14.795   6.765  -2.148
   72    HB2  ASN   9           2HB      ASN   9 -13.721   6.706  -4.936
   73    HB3  ASN   9           1HB      ASN   9 -13.755   5.210  -4.007
   74   HD21  ASN   9          1HD2      ASN   9 -15.670   4.229  -3.577
   75   HD22  ASN   9          2HD2      ASN   9 -17.178   4.728  -4.273
   76    H    GLY  10           H        GLY  10 -12.141   8.443  -1.847
   77    HA2  GLY  10           2HA      GLY  10 -10.744   6.384  -0.414
   78    HA3  GLY  10           1HA      GLY  10  -9.905   6.897  -1.872
   79    H    ILE  11           H        ILE  11  -8.768   7.208   0.634
   80    HA   ILE  11           HA       ILE  11  -8.883  10.131   1.005
   81    HB   ILE  11           HB       ILE  11  -8.477   8.146   3.256
   82   HG12  ILE  11          2HG1      ILE  11 -10.775   9.253   3.968
   83   HG13  ILE  11          1HG1      ILE  11 -10.950   9.482   2.232
   84   HG21  ILE  11          1HG2      ILE  11  -8.781  10.101   4.710
   85   HG22  ILE  11          2HG2      ILE  11  -8.908  11.132   3.285
   86   HG23  ILE  11          3HG2      ILE  11  -7.398  10.289   3.632
   87   HD11  ILE  11          3HD1      ILE  11 -10.717   7.073   1.891
   88   HD12  ILE  11          1HD1      ILE  11 -12.057   7.450   2.978
   89   HD13  ILE  11          2HD1      ILE  11 -10.533   6.848   3.631
   90    H    LYS  12           H        LYS  12  -6.886  11.087   1.746
   91    HA   LYS  12           HA       LYS  12  -4.562   9.583   0.779
   92    HB2  LYS  12           2HB      LYS  12  -4.888  11.654  -0.373
   93    HB3  LYS  12           1HB      LYS  12  -5.114  12.528   1.130
   94    HG2  LYS  12           2HG      LYS  12  -2.958  13.027   0.161
   95    HG3  LYS  12           1HG      LYS  12  -2.764  12.176   1.692
   96    HD2  LYS  12           2HD      LYS  12  -2.335  10.096   0.495
   97    HD3  LYS  12           1HD      LYS  12  -2.574  10.924  -1.046
   98    HE2  LYS  12           2HE      LYS  12  -0.189  10.652  -0.481
   99    HE3  LYS  12           1HE      LYS  12  -0.664  12.341  -0.631
  100    HZ1  LYS  12           3HZ      LYS  12   0.747  12.010   1.289
  101    HZ2  LYS  12           1HZ      LYS  12  -0.322  10.855   1.923
  102    HZ3  LYS  12           2HZ      LYS  12  -0.803  12.477   1.787
  103    H    LEU  13           H        LEU  13  -3.029   8.939   2.103
  104    HA   LEU  13           HA       LEU  13  -2.995   9.955   4.859
  105    HB2  LEU  13           2HB      LEU  13  -2.364   7.581   5.500
  106    HB3  LEU  13           1HB      LEU  13  -4.033   7.859   5.041
  107    HG   LEU  13           HG       LEU  13  -2.134   6.887   2.947
  108   HD11  LEU  13          1HD1      LEU  13  -3.387   5.148   5.070
  109   HD12  LEU  13          2HD1      LEU  13  -1.662   5.427   4.829
  110   HD13  LEU  13          3HD1      LEU  13  -2.596   4.565   3.605
  111   HD21  LEU  13          3HD2      LEU  13  -5.058   6.407   3.545
  112   HD22  LEU  13          1HD2      LEU  13  -4.176   5.718   2.182
  113   HD23  LEU  13          2HD2      LEU  13  -4.405   7.463   2.291
  114    H    GLY  14           H        GLY  14  -0.931   9.365   6.000
  115    HA2  GLY  14           2HA      GLY  14   1.355   9.315   4.142
  116    HA3  GLY  14           1HA      GLY  14   1.223  10.590   5.345
  117    H    VAL  15           H        VAL  15   3.274   8.507   4.999
  118    HA   VAL  15           HA       VAL  15   3.068   7.224   7.643
  119    HB   VAL  15           HB       VAL  15   4.201   5.808   5.222
  120   HG11  VAL  15          1HG1      VAL  15   3.349   4.781   7.923
  121   HG12  VAL  15          2HG1      VAL  15   5.009   5.013   7.373
  122   HG13  VAL  15          3HG1      VAL  15   3.984   3.804   6.599
  123   HG21  VAL  15          3HG2      VAL  15   1.429   5.514   6.374
  124   HG22  VAL  15          1HG2      VAL  15   2.144   4.477   5.139
  125   HG23  VAL  15          2HG2      VAL  15   1.841   6.180   4.793
  126    H    TYR  16           H        TYR  16   5.231   6.525   8.460
  127    HA   TYR  16           HA       TYR  16   7.499   7.881   7.167
  128    HB2  TYR  16           2HB      TYR  16   6.520   8.205   9.920
  129    HB3  TYR  16           1HB      TYR  16   8.241   7.862   9.790
  130    HD1  TYR  16           2HD      TYR  16   9.606   9.306   8.216
  131    HD2  TYR  16           1HD      TYR  16   5.751  10.413   9.618
  132    HE1  TYR  16           2HE      TYR  16  10.102  11.638   7.679
  133    HE2  TYR  16           1HE      TYR  16   6.238  12.766   9.101
  134    HH   TYR  16           HH       TYR  16   8.868  13.734   7.189
  135    H    ILE  17           H        ILE  17   9.269   6.683   6.946
  136    HA   ILE  17           HA       ILE  17   9.806   4.471   8.731
  137    HB   ILE  17           HB       ILE  17  10.337   2.951   6.725
  138   HG12  ILE  17          2HG1      ILE  17   8.320   4.802   5.445
  139   HG13  ILE  17          1HG1      ILE  17   9.990   4.567   4.941
  140   HG21  ILE  17          1HG2      ILE  17   7.482   3.460   7.540
  141   HG22  ILE  17          2HG2      ILE  17   8.645   2.417   8.358
  142   HG23  ILE  17          3HG2      ILE  17   8.072   2.000   6.743
  143   HD11  ILE  17          3HD1      ILE  17   7.859   2.440   4.905
  144   HD12  ILE  17          1HD1      ILE  17   9.511   2.288   4.309
  145   HD13  ILE  17          2HD1      ILE  17   8.385   3.387   3.509
  146    HA   PRO  18           HA       PRO  18  13.902   5.838   8.292
  147    HB2  PRO  18           2HB      PRO  18  15.303   3.484   8.470
  148    HB3  PRO  18           1HB      PRO  18  14.609   4.346   9.847
  149    HG2  PRO  18           2HG      PRO  18  13.556   1.984   8.355
  150    HG3  PRO  18           1HG      PRO  18  13.518   2.322  10.095
  151    HD2  PRO  18           2HD      PRO  18  11.359   2.658   8.514
  152    HD3  PRO  18           1HD      PRO  18  11.679   3.697   9.917
  153    H    GLN  19           H        GLN  19  16.000   5.484   7.172
  154    HA   GLN  19           HA       GLN  19  15.667   5.581   4.400
  155    HB2  GLN  19           2HB      GLN  19  18.160   5.454   4.296
  156    HB3  GLN  19           1HB      GLN  19  17.547   6.691   5.383
  157    HG2  GLN  19           2HG      GLN  19  18.266   5.593   7.262
  158    HG3  GLN  19           1HG      GLN  19  18.226   4.009   6.485
  159   HE21  GLN  19          1HE2      GLN  19  19.986   3.297   5.347
  160   HE22  GLN  19          2HE2      GLN  19  21.496   4.151   5.290
  161    H    GLU  20           H        GLU  20  16.594   2.930   6.516
  162    HA   GLU  20           HA       GLU  20  17.593   1.130   4.669
  163    HB2  GLU  20           2HB      GLU  20  15.970   0.563   7.153
  164    HB3  GLU  20           1HB      GLU  20  16.933  -0.626   6.285
  165    HG2  GLU  20           2HG      GLU  20  17.975   1.853   7.640
  166    HG3  GLU  20           1HG      GLU  20  18.115   0.198   8.238
  167    H    TRP  21           H        TRP  21  14.272   1.962   5.384
  168    HA   TRP  21           HA       TRP  21  13.163  -0.214   3.857
  169    HB2  TRP  21           2HB      TRP  21  11.966   2.297   5.027
  170    HB3  TRP  21           1HB      TRP  21  11.029   1.156   4.069
  171    HD1  TRP  21           HD       TRP  21  13.480   0.523   7.035
  172    HE1  TRP  21           1HE      TRP  21  12.206  -0.866   8.796
  173    HE3  TRP  21           3HE      TRP  21   8.958   0.254   4.694
  174    HZ2  TRP  21           2HZ      TRP  21   9.597  -1.937   9.124
  175    HZ3  TRP  21           3HZ      TRP  21   7.130  -0.959   5.784
  176    HH2  TRP  21           HH       TRP  21   7.438  -2.022   7.948
  177    H    HIS  22           H        HIS  22  13.493   3.293   3.446
  178    HA   HIS  22           HA       HIS  22  12.282   3.425   0.920
  179    HB2  HIS  22           2HB      HIS  22  14.238   5.210   2.339
  180    HB3  HIS  22           1HB      HIS  22  13.696   5.571   0.701
  181    HD1  HIS  22           1HD      HIS  22  11.532   6.783   0.472
  182    HD2  HIS  22           2HD      HIS  22  12.039   5.144   4.264
  183    HE1  HIS  22           1HE      HIS  22   9.597   7.624   1.842
  184    HE2  HIS  22           2HE      HIS  22  10.033   6.776   4.173
  185    H    ASP  23           H        ASP  23  15.599   2.797   1.865
  186    HA   ASP  23           HA       ASP  23  16.776   2.952  -0.680
  187    HB2  ASP  23           2HB      ASP  23  18.015   2.930   1.478
  188    HB3  ASP  23           1HB      ASP  23  17.623   1.223   1.653
  189    H    ARG  24           H        ARG  24  15.732   0.036   1.142
  190    HA   ARG  24           HA       ARG  24  16.359  -1.653  -1.101
  191    HB2  ARG  24           2HB      ARG  24  15.089  -2.162   1.575
  192    HB3  ARG  24           1HB      ARG  24  15.154  -3.416   0.347
  193    HG2  ARG  24           2HG      ARG  24  16.967  -3.702   1.896
  194    HG3  ARG  24           1HG      ARG  24  17.612  -3.228   0.323
  195    HD2  ARG  24           2HD      ARG  24  18.113  -1.064   1.057
  196    HD3  ARG  24           1HD      ARG  24  17.067  -1.206   2.468
  197    HE   ARG  24           HE       ARG  24  19.201  -3.104   2.527
  198   HH11  ARG  24          1HH1      ARG  24  18.522   0.295   3.005
  199   HH12  ARG  24          2HH1      ARG  24  19.661   0.486   4.304
  200   HH21  ARG  24          1HH2      ARG  24  20.728  -2.857   4.220
  201   HH22  ARG  24          2HH2      ARG  24  20.904  -1.314   4.999
  202    H    LEU  25           H        LEU  25  13.364  -0.449   0.350
  203    HA   LEU  25           HA       LEU  25  11.619  -2.038  -1.196
  204    HB2  LEU  25           2HB      LEU  25  11.324   0.431   0.446
  205    HB3  LEU  25           1HB      LEU  25  10.029   0.022  -0.660
  206    HG   LEU  25           HG       LEU  25   9.553  -0.798   1.584
  207   HD11  LEU  25          1HD1      LEU  25  10.180  -3.010  -0.364
  208   HD12  LEU  25          2HD1      LEU  25   8.693  -2.063  -0.300
  209   HD13  LEU  25          3HD1      LEU  25   9.110  -3.143   1.032
  210   HD21  LEU  25          3HD2      LEU  25  12.065  -2.441   1.285
  211   HD22  LEU  25          1HD2      LEU  25  10.898  -2.569   2.601
  212   HD23  LEU  25          2HD2      LEU  25  11.836  -1.089   2.394
  213    H    MET  26           H        MET  26  12.695   1.342  -1.627
  214    HA   MET  26           HA       MET  26  11.232   1.675  -4.023
  215    HB2  MET  26           2HB      MET  26  13.504   3.241  -2.833
  216    HB3  MET  26           1HB      MET  26  12.744   3.681  -4.358
  217    HG2  MET  26           2HG      MET  26  11.320   3.420  -1.719
  218    HG3  MET  26           1HG      MET  26  11.848   4.936  -2.449
  219    HE1  MET  26           3HE      MET  26  11.253   4.304  -5.542
  220    HE2  MET  26           1HE      MET  26  10.871   5.852  -4.789
  221    HE3  MET  26           2HE      MET  26   9.642   4.999  -5.722
  222    H    GLU  27           H        GLU  27  14.390   0.317  -3.389
  223    HA   GLU  27           HA       GLU  27  15.351   0.428  -6.041
  224    HB2  GLU  27           2HB      GLU  27  16.696  -0.223  -4.020
  225    HB3  GLU  27           1HB      GLU  27  15.860  -1.769  -4.023
  226    HG2  GLU  27           2HG      GLU  27  18.059  -1.928  -5.050
  227    HG3  GLU  27           1HG      GLU  27  16.776  -2.286  -6.207
  228    H    ILE  28           H        ILE  28  13.474  -2.020  -4.308
  229    HA   ILE  28           HA       ILE  28  13.022  -3.752  -6.498
  230    HB   ILE  28           HB       ILE  28  11.178  -3.230  -4.152
  231   HG12  ILE  28          2HG1      ILE  28  13.393  -5.279  -4.405
  232   HG13  ILE  28          1HG1      ILE  28  13.500  -3.797  -3.461
  233   HG21  ILE  28          1HG2      ILE  28  10.403  -5.526  -4.562
  234   HG22  ILE  28          2HG2      ILE  28  11.450  -5.615  -5.979
  235   HG23  ILE  28          3HG2      ILE  28  10.109  -4.469  -5.943
  236   HD11  ILE  28          3HD1      ILE  28  11.713  -4.564  -2.012
  237   HD12  ILE  28          1HD1      ILE  28  13.020  -5.748  -2.070
  238   HD13  ILE  28          2HD1      ILE  28  11.535  -6.028  -2.980
  239    H    ALA  29           H        ALA  29  11.449  -0.881  -5.298
  240    HA   ALA  29           HA       ALA  29   9.150  -0.916  -6.924
  241    HB1  ALA  29           1HB      ALA  29  10.552   1.438  -5.674
  242    HB2  ALA  29           2HB      ALA  29   9.330   0.432  -4.898
  243    HB3  ALA  29           3HB      ALA  29   8.901   1.421  -6.294
  244    H    LYS  30           H        LYS  30  12.439  -0.044  -7.603
  245    HA   LYS  30           HA       LYS  30  11.847   1.597  -9.881
  246    HB2  LYS  30           2HB      LYS  30  14.408   0.146  -9.174
  247    HB3  LYS  30           1HB      LYS  30  14.241   1.388 -10.407
  248    HG2  LYS  30           2HG      LYS  30  13.858   3.069  -8.778
  249    HG3  LYS  30           1HG      LYS  30  13.704   1.868  -7.489
  250    HD2  LYS  30           2HD      LYS  30  16.058   1.188  -7.939
  251    HD3  LYS  30           1HD      LYS  30  16.178   2.532  -9.076
  252    HE2  LYS  30           2HE      LYS  30  15.733   4.109  -7.282
  253    HE3  LYS  30           1HE      LYS  30  15.544   2.779  -6.137
  254    HZ1  LYS  30           3HZ      LYS  30  17.743   3.716  -5.958
  255    HZ2  LYS  30           1HZ      LYS  30  18.025   3.484  -7.615
  256    HZ3  LYS  30           2HZ      LYS  30  17.854   2.146  -6.585
  257    H    GLU  31           H        GLU  31  12.880  -1.709  -9.320
  258    HA   GLU  31           HA       GLU  31  13.086  -2.526 -11.988
  259    HB2  GLU  31           2HB      GLU  31  12.478  -4.087  -9.480
  260    HB3  GLU  31           1HB      GLU  31  12.759  -4.844 -11.042
  261    HG2  GLU  31           2HG      GLU  31  14.717  -3.044  -9.638
  262    HG3  GLU  31           1HG      GLU  31  14.754  -4.807  -9.591
  263    H    LYS  32           H        LYS  32  10.281  -2.553  -9.807
  264    HA   LYS  32           HA       LYS  32   8.702  -3.800 -11.925
  265    HB2  LYS  32           2HB      LYS  32   8.161  -3.397  -8.995
  266    HB3  LYS  32           1HB      LYS  32   6.906  -3.913 -10.111
  267    HG2  LYS  32           2HG      LYS  32   7.677  -5.908  -9.241
  268    HG3  LYS  32           1HG      LYS  32   8.556  -5.780 -10.762
  269    HD2  LYS  32           2HD      LYS  32  10.325  -4.570  -9.198
  270    HD3  LYS  32           1HD      LYS  32   9.537  -5.560  -7.969
  271    HE2  LYS  32           2HE      LYS  32  10.901  -6.497 -10.485
  272    HE3  LYS  32           1HE      LYS  32  11.408  -6.780  -8.823
  273    HZ1  LYS  32           3HZ      LYS  32   9.479  -8.164  -8.478
  274    HZ2  LYS  32           1HZ      LYS  32  10.344  -8.716  -9.829
  275    HZ3  LYS  32           2HZ      LYS  32   8.913  -7.837 -10.046
  276    H    ASN  33           H        ASN  33   9.441  -0.752 -11.030
  277    HA   ASN  33           HA       ASN  33   8.639   1.309 -11.505
  278    HB2  ASN  33           2HB      ASN  33   6.816  -0.254 -13.328
  279    HB3  ASN  33           1HB      ASN  33   6.824   1.502 -13.251
  280   HD21  ASN  33          1HD2      ASN  33   9.777   1.437 -12.751
  281   HD22  ASN  33          2HD2      ASN  33  10.476   1.154 -14.306
  282    H    LEU  34           H        LEU  34   7.943   0.716  -9.163
  283    HA   LEU  34           HA       LEU  34   5.124   1.505  -8.881
  284    HB2  LEU  34           2HB      LEU  34   6.589  -0.567  -7.229
  285    HB3  LEU  34           1HB      LEU  34   4.985   0.048  -6.877
  286    HG   LEU  34           HG       LEU  34   5.700  -1.477  -9.383
  287   HD11  LEU  34          1HD1      LEU  34   5.939  -2.892  -7.409
  288   HD12  LEU  34          2HD1      LEU  34   4.521  -3.356  -8.351
  289   HD13  LEU  34          3HD1      LEU  34   4.327  -2.424  -6.868
  290   HD21  LEU  34          3HD2      LEU  34   3.042  -0.680  -8.197
  291   HD22  LEU  34          1HD2      LEU  34   3.276  -1.671  -9.637
  292   HD23  LEU  34          2HD2      LEU  34   3.789   0.016  -9.636
  293    H    THR  35           H        THR  35   4.729   2.522  -6.718
  294    HA   THR  35           HA       THR  35   7.201   3.693  -5.622
  295    HB   THR  35           HB       THR  35   5.781   5.404  -4.572
  296    HG1  THR  35           1HG      THR  35   3.631   4.130  -5.978
  297   HG21  THR  35          3HG2      THR  35   6.671   5.885  -6.782
  298   HG22  THR  35          1HG2      THR  35   5.062   6.584  -6.610
  299   HG23  THR  35          2HG2      THR  35   5.284   5.100  -7.536
  300    H    LEU  36           H        LEU  36   7.383   3.770  -3.259
  301    HA   LEU  36           HA       LEU  36   6.603   1.405  -1.961
  302    HB2  LEU  36           2HB      LEU  36   7.506   2.289   0.026
  303    HB3  LEU  36           1HB      LEU  36   8.504   2.893  -1.278
  304    HG   LEU  36           HG       LEU  36   6.361   4.488   0.136
  305   HD11  LEU  36          1HD1      LEU  36   9.363   4.575   0.415
  306   HD12  LEU  36          2HD1      LEU  36   8.236   3.926   1.605
  307   HD13  LEU  36          3HD1      LEU  36   8.211   5.646   1.214
  308   HD21  LEU  36          3HD2      LEU  36   7.410   6.410  -0.977
  309   HD22  LEU  36          1HD2      LEU  36   6.741   5.262  -2.138
  310   HD23  LEU  36          2HD2      LEU  36   8.480   5.312  -1.849
  311    H    SER  37           H        SER  37   4.962   4.437  -2.368
  312    HA   SER  37           HA       SER  37   2.873   4.094  -0.545
  313    HB2  SER  37           2HB      SER  37   2.657   5.230  -3.344
  314    HB3  SER  37           1HB      SER  37   1.615   5.593  -1.966
  315    HG   SER  37           HG       SER  37   2.966   7.148  -1.596
  316    H    ASP  38           H        ASP  38   3.189   2.978  -3.910
  317    HA   ASP  38           HA       ASP  38   0.762   1.533  -3.995
  318    HB2  ASP  38           2HB      ASP  38   3.311   1.110  -5.577
  319    HB3  ASP  38           1HB      ASP  38   1.786   0.306  -5.918
  320    H    VAL  39           H        VAL  39   4.085   0.575  -3.253
  321    HA   VAL  39           HA       VAL  39   3.565  -2.177  -2.936
  322    HB   VAL  39           HB       VAL  39   5.753  -0.535  -1.640
  323   HG11  VAL  39          1HG1      VAL  39   5.589  -3.506  -2.147
  324   HG12  VAL  39          2HG1      VAL  39   5.471  -2.718  -0.575
  325   HG13  VAL  39          3HG1      VAL  39   6.980  -2.644  -1.487
  326   HG21  VAL  39          3HG2      VAL  39   5.710  -2.044  -4.253
  327   HG22  VAL  39          1HG2      VAL  39   7.134  -1.292  -3.534
  328   HG23  VAL  39          2HG2      VAL  39   5.777  -0.292  -4.054
  329    H    CYS  40           H        CYS  40   3.246   0.534  -0.756
  330    HA   CYS  40           HA       CYS  40   3.060  -0.974   1.641
  331    HB2  CYS  40           2HB      CYS  40   3.518   1.580   1.234
  332    HB3  CYS  40           1HB      CYS  40   1.760   1.726   1.300
  333    HG   CYS  40           HG       CYS  40   2.967  -0.006   3.859
  334    H    ARG  41           H        ARG  41   0.512   0.561  -0.369
  335    HA   ARG  41           HA       ARG  41  -1.604  -0.700   0.962
  336    HB2  ARG  41           2HB      ARG  41  -2.942  -0.138  -1.080
  337    HB3  ARG  41           1HB      ARG  41  -2.116   1.215  -0.335
  338    HG2  ARG  41           2HG      ARG  41  -1.699   1.633  -2.525
  339    HG3  ARG  41           1HG      ARG  41  -0.277   0.671  -2.120
  340    HD2  ARG  41           2HD      ARG  41  -1.076  -0.178  -4.170
  341    HD3  ARG  41           1HD      ARG  41  -1.564  -1.343  -2.937
  342    HE   ARG  41           HE       ARG  41  -3.710   0.335  -3.186
  343   HH11  ARG  41          1HH1      ARG  41  -1.858  -1.652  -5.371
  344   HH12  ARG  41          2HH1      ARG  41  -3.177  -1.945  -6.457
  345   HH21  ARG  41          1HH2      ARG  41  -5.483  -0.031  -4.612
  346   HH22  ARG  41          2HH2      ARG  41  -5.241  -1.014  -6.033
  347    H    LEU  42           H        LEU  42   0.469  -1.812  -1.672
  348    HA   LEU  42           HA       LEU  42  -1.049  -4.160  -2.243
  349    HB2  LEU  42           2HB      LEU  42   1.892  -3.566  -2.595
  350    HB3  LEU  42           1HB      LEU  42   1.119  -5.032  -3.167
  351    HG   LEU  42           HG       LEU  42   0.426  -2.239  -4.080
  352   HD11  LEU  42          1HD1      LEU  42   2.646  -2.910  -4.827
  353   HD12  LEU  42          2HD1      LEU  42   1.512  -2.891  -6.177
  354   HD13  LEU  42          3HD1      LEU  42   1.992  -4.425  -5.451
  355   HD21  LEU  42          3HD2      LEU  42  -0.485  -4.944  -5.072
  356   HD22  LEU  42          1HD2      LEU  42  -0.882  -3.390  -5.805
  357   HD23  LEU  42          2HD2      LEU  42  -1.468  -3.777  -4.187
  358    H    ALA  43           H        ALA  43   1.122  -3.216   0.224
  359    HA   ALA  43           HA       ALA  43   1.890  -5.776   1.121
  360    HB1  ALA  43           1HB      ALA  43   1.874  -3.147   2.578
  361    HB2  ALA  43           2HB      ALA  43   3.201  -3.798   1.616
  362    HB3  ALA  43           3HB      ALA  43   2.708  -4.609   3.102
  363    H    ILE  44           H        ILE  44  -0.533  -3.429   2.291
  364    HA   ILE  44           HA       ILE  44  -1.560  -5.172   4.288
  365    HB   ILE  44           HB       ILE  44  -3.663  -3.585   3.981
  366   HG12  ILE  44          2HG1      ILE  44  -1.396  -1.971   2.790
  367   HG13  ILE  44          1HG1      ILE  44  -2.834  -2.516   1.931
  368   HG21  ILE  44          1HG2      ILE  44  -2.413  -3.693   5.992
  369   HG22  ILE  44          2HG2      ILE  44  -2.533  -1.991   5.544
  370   HG23  ILE  44          3HG2      ILE  44  -1.037  -2.879   5.255
  371   HD11  ILE  44          3HD1      ILE  44  -3.021  -0.174   2.538
  372   HD12  ILE  44          1HD1      ILE  44  -2.792  -0.585   4.239
  373   HD13  ILE  44          2HD1      ILE  44  -4.231  -1.139   3.383
  374    H    LYS  45           H        LYS  45  -2.069  -4.850   0.910
  375    HA   LYS  45           HA       LYS  45  -4.507  -6.149   0.612
  376    HB2  LYS  45           2HB      LYS  45  -3.405  -5.120  -1.274
  377    HB3  LYS  45           1HB      LYS  45  -2.028  -6.199  -1.116
  378    HG2  LYS  45           2HG      LYS  45  -3.506  -8.101  -1.699
  379    HG3  LYS  45           1HG      LYS  45  -4.820  -6.949  -1.966
  380    HD2  LYS  45           2HD      LYS  45  -3.479  -5.828  -3.683
  381    HD3  LYS  45           1HD      LYS  45  -2.175  -6.986  -3.423
  382    HE2  LYS  45           2HE      LYS  45  -3.610  -8.804  -4.156
  383    HE3  LYS  45           1HE      LYS  45  -4.964  -7.687  -4.343
  384    HZ1  LYS  45           3HZ      LYS  45  -2.432  -7.688  -5.905
  385    HZ2  LYS  45           1HZ      LYS  45  -3.628  -6.491  -6.016
  386    HZ3  LYS  45           2HZ      LYS  45  -3.981  -8.083  -6.475
  387    H    GLU  46           H        GLU  46  -1.223  -7.580   0.593
  388    HA   GLU  46           HA       GLU  46  -2.266 -10.253   0.717
  389    HB2  GLU  46           2HB      GLU  46  -0.069  -9.682  -0.344
  390    HB3  GLU  46           1HB      GLU  46   0.563  -9.330   1.260
  391    HG2  GLU  46           2HG      GLU  46   0.217 -11.611   1.948
  392    HG3  GLU  46           1HG      GLU  46  -0.551 -11.990   0.408
  393    H    TYR  47           H        TYR  47  -1.373  -7.797   2.940
  394    HA   TYR  47           HA       TYR  47  -0.909  -9.298   5.241
  395    HB2  TYR  47           2HB      TYR  47  -0.387  -6.949   5.170
  396    HB3  TYR  47           1HB      TYR  47  -2.065  -6.537   4.862
  397    HD1  TYR  47           2HD      TYR  47   0.296  -7.760   7.420
  398    HD2  TYR  47           1HD      TYR  47  -3.608  -6.262   6.648
  399    HE1  TYR  47           2HE      TYR  47  -0.052  -7.438   9.832
  400    HE2  TYR  47           1HE      TYR  47  -3.965  -5.936   9.056
  401    HH   TYR  47           HH       TYR  47  -1.481  -6.016  11.310
  402    H    LEU  48           H        LEU  48  -3.908  -7.984   3.882
  403    HA   LEU  48           HA       LEU  48  -5.631  -9.015   5.879
  404    HB2  LEU  48           2HB      LEU  48  -6.281  -8.501   2.973
  405    HB3  LEU  48           1HB      LEU  48  -7.431  -8.632   4.289
  406    HG   LEU  48           HG       LEU  48  -5.415  -6.422   3.887
  407   HD11  LEU  48          1HD1      LEU  48  -7.385  -5.025   3.550
  408   HD12  LEU  48          2HD1      LEU  48  -8.424  -6.440   3.718
  409   HD13  LEU  48          3HD1      LEU  48  -7.307  -6.322   2.359
  410   HD21  LEU  48          3HD2      LEU  48  -7.451  -6.823   6.075
  411   HD22  LEU  48          1HD2      LEU  48  -6.506  -5.357   5.814
  412   HD23  LEU  48          2HD2      LEU  48  -5.696  -6.860   6.251
  413    H    ASP  49           H        ASP  49  -4.753 -10.159   2.660
  414    HA   ASP  49           HA       ASP  49  -6.373 -12.438   2.624
  415    HB2  ASP  49           2HB      ASP  49  -5.387 -11.345   0.640
  416    HB3  ASP  49           1HB      ASP  49  -3.803 -11.944   1.117
  417    H    ASN  50           H        ASN  50  -3.370 -11.918   4.220
  418    HA   ASN  50           HA       ASN  50  -2.488 -14.639   4.124
  419    HB2  ASN  50           2HB      ASN  50  -1.058 -12.511   4.414
  420    HB3  ASN  50           1HB      ASN  50  -1.513 -12.606   6.112
  421   HD21  ASN  50          1HD2      ASN  50   1.082 -12.881   4.783
  422   HD22  ASN  50          2HD2      ASN  50   1.707 -14.413   5.287
  423    H    HIS  51           H        HIS  51  -3.605 -12.603   6.875
  424    HA   HIS  51           HA       HIS  51  -4.092 -15.080   8.341
  425    HB2  HIS  51           2HB      HIS  51  -4.518 -13.592  10.315
  426    HB3  HIS  51           1HB      HIS  51  -2.891 -13.523   9.660
  427    HD1  HIS  51           1HD      HIS  51  -6.133 -11.504   9.362
  428    HD2  HIS  51           2HD      HIS  51  -1.995 -11.014   9.414
  429    HE1  HIS  51           1HE      HIS  51  -5.736  -9.025   9.276
  430    HE2  HIS  51           2HE      HIS  51  -3.254  -8.766   9.594
  431    H    ASP  52           H        ASP  52  -5.844 -12.983   6.431
  432    HA   ASP  52           HA       ASP  52  -8.335 -14.159   7.461
  433    HB2  ASP  52           2HB      ASP  52  -7.826 -11.287   6.717
  434    HB3  ASP  52           1HB      ASP  52  -9.439 -11.975   6.562
  435    H    LYS  53           H        LYS  53  -7.854 -15.743   5.877
  436    HA   LYS  53           HA       LYS  53  -7.622 -15.011   3.106
  437    HB2  LYS  53           2HB      LYS  53  -6.477 -16.985   4.204
  438    HB3  LYS  53           1HB      LYS  53  -8.049 -17.765   4.281
  439    HG2  LYS  53           2HG      LYS  53  -6.964 -18.637   2.379
  440    HG3  LYS  53           1HG      LYS  53  -8.174 -17.500   1.776
  441    HD2  LYS  53           2HD      LYS  53  -6.422 -15.782   1.569
  442    HD3  LYS  53           1HD      LYS  53  -5.226 -16.956   2.119
  443    HE2  LYS  53           2HE      LYS  53  -5.827 -18.384   0.178
  444    HE3  LYS  53           1HE      LYS  53  -6.891 -17.098  -0.388
  445    HZ1  LYS  53           3HZ      LYS  53  -4.802 -16.939  -1.514
  446    HZ2  LYS  53           1HZ      LYS  53  -3.948 -16.942  -0.049
  447    HZ3  LYS  53           2HZ      LYS  53  -4.928 -15.622  -0.448
  448    H    GLN  54           H        GLN  54 -10.079 -16.269   5.254
  449    HA   GLN  54           HA       GLN  54 -11.961 -16.673   3.078
  450    HB2  GLN  54           2HB      GLN  54 -12.294 -17.010   6.064
  451    HB3  GLN  54           1HB      GLN  54 -13.474 -17.479   4.848
  452    HG2  GLN  54           2HG      GLN  54 -11.958 -19.125   3.949
  453    HG3  GLN  54           1HG      GLN  54 -10.690 -18.602   5.056
  454   HE21  GLN  54          1HE2      GLN  54 -11.921 -21.224   4.710
  455   HE22  GLN  54          2HE2      GLN  54 -12.556 -21.656   6.262
  456    H    LYS  55           H        LYS  55 -13.184 -15.089   2.333
  457    HA   LYS  55           HA       LYS  55 -14.434 -13.232   4.176
  458    HB2  LYS  55           2HB      LYS  55 -13.809 -11.225   3.024
  459    HB3  LYS  55           1HB      LYS  55 -12.339 -12.086   3.436
  460    HG2  LYS  55           2HG      LYS  55 -13.603 -12.204   0.708
  461    HG3  LYS  55           1HG      LYS  55 -12.393 -11.007   1.167
  462    HD2  LYS  55           2HD      LYS  55 -10.958 -13.040   1.838
  463    HD3  LYS  55           1HD      LYS  55 -12.096 -13.978   0.872
  464    HE2  LYS  55           2HE      LYS  55 -10.421 -11.661  -0.081
  465    HE3  LYS  55           1HE      LYS  55 -10.159 -13.362  -0.453
  466    HZ1  LYS  55           3HZ      LYS  55 -12.438 -13.310  -1.497
  467    HZ2  LYS  55           1HZ      LYS  55 -11.234 -12.426  -2.303
  468    HZ3  LYS  55           2HZ      LYS  55 -12.385 -11.620  -1.354
  469    H    LYS  56           H        LYS  56 -15.038 -15.484   2.333
  470    HA   LYS  56           HA       LYS  56 -16.872 -14.201   0.447
  471    HB2  LYS  56           2HB      LYS  56 -15.363 -15.880  -0.510
  472    HB3  LYS  56           1HB      LYS  56 -15.938 -17.075   0.642
  473    HG2  LYS  56           2HG      LYS  56 -18.101 -17.121  -0.376
  474    HG3  LYS  56           1HG      LYS  56 -17.699 -15.751  -1.412
  475    HD2  LYS  56           2HD      LYS  56 -17.569 -17.832  -2.666
  476    HD3  LYS  56           1HD      LYS  56 -15.972 -17.101  -2.515
  477    HE2  LYS  56           2HE      LYS  56 -15.730 -19.441  -2.134
  478    HE3  LYS  56           1HE      LYS  56 -15.542 -18.626  -0.584
  479    HZ1  LYS  56           3HZ      LYS  56 -17.838 -19.200  -0.052
  480    HZ2  LYS  56           1HZ      LYS  56 -16.921 -20.589  -0.375
  481    HZ3  LYS  56           2HZ      LYS  56 -18.001 -19.996  -1.542
  482    H1   GLY   2           1HT      GLY   2  18.741  15.360  18.290
  483    H2   GLY   2           2HT      GLY   2  17.416  16.410  18.415
  484    H3   GLY   2           3HT      GLY   2  18.885  16.972  17.783
  485    HA2  GLY   2           1HA      GLY   2  17.196  14.876  16.540
  486    HA3  GLY   2           2HA      GLY   2  17.225  16.563  16.044
  487    H    ARG   3           H        ARG   3  17.758  15.137  14.030
  488    HA   ARG   3           HA       ARG   3  19.242  14.463  12.441
  489    HB2  ARG   3           2HB      ARG   3  20.599  16.744  13.810
  490    HB3  ARG   3           1HB      ARG   3  21.484  15.843  12.589
  491    HG2  ARG   3           2HG      ARG   3  18.776  17.025  12.061
  492    HG3  ARG   3           1HG      ARG   3  20.273  17.929  11.823
  493    HD2  ARG   3           2HD      ARG   3  19.443  15.375  10.449
  494    HD3  ARG   3           1HD      ARG   3  19.619  16.973   9.720
  495    HE   ARG   3           HE       ARG   3  22.038  16.048  10.951
  496   HH11  ARG   3          1HH1      ARG   3  20.143  15.916   7.975
  497   HH12  ARG   3          2HH1      ARG   3  21.504  15.413   7.009
  498   HH21  ARG   3          1HH2      ARG   3  23.783  15.431   9.677
  499   HH22  ARG   3          2HH2      ARG   3  23.573  15.150   7.973
  500    HA   PRO   4           HA       PRO   4  21.444  11.508  15.325
  501    HB2  PRO   4           2HB      PRO   4  20.580   9.680  13.145
  502    HB3  PRO   4           1HB      PRO   4  20.482   9.471  14.895
  503    HG2  PRO   4           2HG      PRO   4  18.298  10.003  13.456
  504    HG3  PRO   4           1HG      PRO   4  18.527  10.701  15.070
  505    HD2  PRO   4           2HD      PRO   4  18.868  11.978  12.387
  506    HD3  PRO   4           1HD      PRO   4  18.197  12.658  13.885
  507    H    TYR   5           H        TYR   5  21.384  10.978  11.793
  508    HA   TYR   5           HA       TYR   5  24.068  11.985  11.568
  509    HB2  TYR   5           2HB      TYR   5  24.997   9.977  10.484
  510    HB3  TYR   5           1HB      TYR   5  24.579   9.695  12.167
  511    HD1  TYR   5           2HD      TYR   5  23.693   8.945   8.680
  512    HD2  TYR   5           1HD      TYR   5  22.861   8.123  12.767
  513    HE1  TYR   5           2HE      TYR   5  22.408   6.959   8.011
  514    HE2  TYR   5           1HE      TYR   5  21.575   6.132  12.113
  515    HH   TYR   5           HH       TYR   5  21.710   4.803   9.006
  516    H    LYS   6           H        LYS   6  21.140  10.777  10.130
  517    HA   LYS   6           HA       LYS   6  21.627  12.526   7.852
  518    HB2  LYS   6           2HB      LYS   6  22.362  10.352   7.048
  519    HB3  LYS   6           1HB      LYS   6  20.862   9.612   7.584
  520    HG2  LYS   6           2HG      LYS   6  19.607  10.856   5.946
  521    HG3  LYS   6           1HG      LYS   6  21.055  11.736   5.460
  522    HD2  LYS   6           2HD      LYS   6  20.725   8.745   5.236
  523    HD3  LYS   6           1HD      LYS   6  20.437   9.883   3.915
  524    HE2  LYS   6           2HE      LYS   6  22.765  10.644   4.091
  525    HE3  LYS   6           1HE      LYS   6  23.043   9.475   5.383
  526    HZ1  LYS   6           3HZ      LYS   6  22.319   8.836   2.570
  527    HZ2  LYS   6           1HZ      LYS   6  22.517   7.695   3.810
  528    HZ3  LYS   6           2HZ      LYS   6  23.836   8.619   3.289
  529    H    LEU   7           H        LEU   7  20.013  13.893   7.971
  530    HA   LEU   7           HA       LEU   7  17.950  14.804   8.186
  531    HB2  LEU   7           2HB      LEU   7  17.283  12.090   7.080
  532    HB3  LEU   7           1HB      LEU   7  16.012  13.217   7.497
  533    HG   LEU   7           HG       LEU   7  17.017  14.855   5.894
  534   HD11  LEU   7          1HD1      LEU   7  19.292  13.982   5.836
  535   HD12  LEU   7          2HD1      LEU   7  18.588  14.050   4.222
  536   HD13  LEU   7          3HD1      LEU   7  18.712  12.505   5.064
  537   HD21  LEU   7          3HD2      LEU   7  15.107  13.507   5.270
  538   HD22  LEU   7          1HD2      LEU   7  16.167  12.183   4.787
  539   HD23  LEU   7          2HD2      LEU   7  16.189  13.701   3.892
  540    H    LEU   8           H        LEU   8  15.570  12.977   8.866
  541    HA   LEU   8           HA       LEU   8  15.947  13.042  11.757
  542    HB2  LEU   8           2HB      LEU   8  13.486  12.277  10.182
  543    HB3  LEU   8           1HB      LEU   8  13.564  12.629  11.897
  544    HG   LEU   8           HG       LEU   8  14.018  14.624   9.675
  545   HD11  LEU   8          1HD1      LEU   8  11.894  15.580  10.426
  546   HD12  LEU   8          2HD1      LEU   8  11.706  14.252  11.572
  547   HD13  LEU   8          3HD1      LEU   8  11.694  13.929   9.839
  548   HD21  LEU   8          3HD2      LEU   8  13.893  14.995  12.663
  549   HD22  LEU   8          1HD2      LEU   8  13.991  16.288  11.468
  550   HD23  LEU   8          2HD2      LEU   8  15.330  15.155  11.653
  551    H    ASN   9           H        ASN   9  16.963  11.004   9.606
  552    HA   ASN   9           HA       ASN   9  17.243   8.787   9.288
  553    HB2  ASN   9           2HB      ASN   9  17.122   9.114  12.176
  554    HB3  ASN   9           1HB      ASN   9  16.580   7.515  11.669
  555   HD21  ASN   9          1HD2      ASN   9  18.006   6.124  10.695
  556   HD22  ASN   9          2HD2      ASN   9  19.714   6.391  10.668
  557    H    GLY  10           H        GLY  10  14.725  10.005   8.793
  558    HA2  GLY  10           2HA      GLY  10  13.160   7.634   8.341
  559    HA3  GLY  10           1HA      GLY  10  12.419   8.775   9.462
  560    H    ILE  11           H        ILE  11  11.774   7.908   6.633
  561    HA   ILE  11           HA       ILE  11  11.955  10.555   5.341
  562    HB   ILE  11           HB       ILE  11  11.993   7.881   3.909
  563   HG12  ILE  11          2HG1      ILE  11  14.344   8.725   3.231
  564   HG13  ILE  11          1HG1      ILE  11  14.204   9.804   4.613
  565   HG21  ILE  11          1HG2      ILE  11  12.469   9.186   1.909
  566   HG22  ILE  11          2HG2      ILE  11  12.359  10.676   2.846
  567   HG23  ILE  11          3HG2      ILE  11  10.931   9.664   2.627
  568   HD11  ILE  11          3HD1      ILE  11  13.941   7.878   6.089
  569   HD12  ILE  11          1HD1      ILE  11  15.457   7.809   5.186
  570   HD13  ILE  11          2HD1      ILE  11  14.095   6.797   4.701
  571    H    LYS  12           H        LYS  12  10.165  11.149   4.005
  572    HA   LYS  12           HA       LYS  12   7.708  10.100   5.204
  573    HB2  LYS  12           2HB      LYS  12   8.166  12.463   5.581
  574    HB3  LYS  12           1HB      LYS  12   8.302  12.740   3.854
  575    HG2  LYS  12           2HG      LYS  12   6.168  13.518   4.820
  576    HG3  LYS  12           1HG      LYS  12   5.962  12.319   3.544
  577    HD2  LYS  12           2HD      LYS  12   5.393  10.632   5.068
  578    HD3  LYS  12           1HD      LYS  12   6.031  11.539   6.440
  579    HE2  LYS  12           2HE      LYS  12   3.531  11.463   6.288
  580    HE3  LYS  12           1HE      LYS  12   4.229  13.077   6.373
  581    HZ1  LYS  12           3HZ      LYS  12   3.431  11.778   3.824
  582    HZ2  LYS  12           1HZ      LYS  12   3.858  13.398   4.070
  583    HZ3  LYS  12           2HZ      LYS  12   2.410  12.794   4.714
  584    H    LEU  13           H        LEU  13   6.367   8.992   4.078
  585    HA   LEU  13           HA       LEU  13   6.386   9.188   1.148
  586    HB2  LEU  13           2HB      LEU  13   5.713   6.759   1.173
  587    HB3  LEU  13           1HB      LEU  13   7.371   7.088   1.632
  588    HG   LEU  13           HG       LEU  13   5.293   6.791   3.771
  589   HD11  LEU  13          1HD1      LEU  13   6.699   4.507   2.386
  590   HD12  LEU  13          2HD1      LEU  13   4.974   4.864   2.290
  591   HD13  LEU  13          3HD1      LEU  13   5.691   4.386   3.829
  592   HD21  LEU  13          3HD2      LEU  13   8.237   6.131   3.590
  593   HD22  LEU  13          1HD2      LEU  13   7.221   5.909   5.014
  594   HD23  LEU  13          2HD2      LEU  13   7.533   7.533   4.401
  595    H    GLY  14           H        GLY  14   4.299   8.400   0.197
  596    HA2  GLY  14           2HA      GLY  14   2.043   8.828   2.011
  597    HA3  GLY  14           1HA      GLY  14   2.202   9.881   0.613
  598    H    VAL  15           H        VAL  15   0.628   7.296   1.733
  599    HA   VAL  15           HA       VAL  15   0.475   5.942  -0.870
  600    HB   VAL  15           HB       VAL  15  -0.514   4.936   1.821
  601   HG11  VAL  15          1HG1      VAL  15  -1.704   3.961  -0.072
  602   HG12  VAL  15          2HG1      VAL  15  -0.671   2.768   0.717
  603   HG13  VAL  15          3HG1      VAL  15  -0.168   3.499  -0.805
  604   HG21  VAL  15          3HG2      VAL  15   2.017   4.267   0.333
  605   HG22  VAL  15          1HG2      VAL  15   1.429   3.435   1.771
  606   HG23  VAL  15          2HG2      VAL  15   1.894   5.134   1.864
  607    H    TYR  16           H        TYR  16  -1.668   5.422  -1.684
  608    HA   TYR  16           HA       TYR  16  -3.829   7.055  -0.521
  609    HB2  TYR  16           2HB      TYR  16  -2.663   7.933  -2.714
  610    HB3  TYR  16           1HB      TYR  16  -3.628   6.674  -3.481
  611    HD1  TYR  16           2HD      TYR  16  -6.186   6.690  -2.550
  612    HD2  TYR  16           1HD      TYR  16  -3.579  10.035  -2.779
  613    HE1  TYR  16           2HE      TYR  16  -8.119   8.189  -2.563
  614    HE2  TYR  16           1HE      TYR  16  -5.513  11.549  -2.797
  615    HH   TYR  16           HH       TYR  16  -8.707  10.475  -2.102
  616    H    ILE  17           H        ILE  17  -5.595   5.862  -0.112
  617    HA   ILE  17           HA       ILE  17  -6.101   3.458  -1.678
  618    HB   ILE  17           HB       ILE  17  -6.433   2.055   0.325
  619   HG12  ILE  17          2HG1      ILE  17  -5.060   4.290   1.821
  620   HG13  ILE  17          1HG1      ILE  17  -6.762   3.863   1.974
  621   HG21  ILE  17          1HG2      ILE  17  -4.079   1.619   0.776
  622   HG22  ILE  17          2HG2      ILE  17  -3.651   3.176   0.066
  623   HG23  ILE  17          3HG2      ILE  17  -4.360   1.913  -0.940
  624   HD11  ILE  17          3HD1      ILE  17  -6.167   1.689   2.852
  625   HD12  ILE  17          1HD1      ILE  17  -5.397   2.959   3.802
  626   HD13  ILE  17          2HD1      ILE  17  -4.454   2.040   2.625
  627    HA   PRO  18           HA       PRO  18 -10.268   4.582  -1.570
  628    HB2  PRO  18           2HB      PRO  18 -11.523   2.154  -1.330
  629    HB3  PRO  18           1HB      PRO  18 -10.800   2.759  -2.822
  630    HG2  PRO  18           2HG      PRO  18  -9.678   0.857  -0.803
  631    HG3  PRO  18           1HG      PRO  18  -9.615   0.776  -2.575
  632    HD2  PRO  18           2HD      PRO  18  -7.512   1.605  -1.138
  633    HD3  PRO  18           1HD      PRO  18  -7.905   2.336  -2.709
  634    H    GLN  19           H        GLN  19 -12.269   4.646  -0.436
  635    HA   GLN  19           HA       GLN  19 -12.032   4.991   2.344
  636    HB2  GLN  19           2HB      GLN  19 -13.672   6.273   1.194
  637    HB3  GLN  19           1HB      GLN  19 -14.425   4.837   0.516
  638    HG2  GLN  19           2HG      GLN  19 -15.739   5.875   2.324
  639    HG3  GLN  19           1HG      GLN  19 -15.293   4.202   2.654
  640   HE21  GLN  19          1HE2      GLN  19 -15.503   4.395   4.844
  641   HE22  GLN  19          2HE2      GLN  19 -14.403   5.300   5.825
  642    H    GLU  20           H        GLU  20 -13.500   2.375   0.444
  643    HA   GLU  20           HA       GLU  20 -14.575   0.787   2.422
  644    HB2  GLU  20           2HB      GLU  20 -13.097   0.042  -0.103
  645    HB3  GLU  20           1HB      GLU  20 -13.900  -1.149   0.909
  646    HG2  GLU  20           2HG      GLU  20 -15.393   1.220  -0.132
  647    HG3  GLU  20           1HG      GLU  20 -15.132  -0.205  -1.141
  648    H    TRP  21           H        TRP  21 -11.257   1.122   1.428
  649    HA   TRP  21           HA       TRP  21 -10.293  -1.102   2.966
  650    HB2  TRP  21           2HB      TRP  21  -9.475  -0.085   0.700
  651    HB3  TRP  21           1HB      TRP  21  -8.604   1.048   1.725
  652    HD1  TRP  21           HD       TRP  21  -8.405  -2.027   3.596
  653    HE1  TRP  21           1HE      TRP  21  -6.217  -3.285   3.090
  654    HE3  TRP  21           3HE      TRP  21  -7.059   0.399  -0.678
  655    HZ2  TRP  21           2HZ      TRP  21  -4.190  -3.240   1.125
  656    HZ3  TRP  21           3HZ      TRP  21  -4.981  -0.252  -1.809
  657    HH2  TRP  21           HH       TRP  21  -3.565  -2.021  -0.916
  658    H    HIS  22           H        HIS  22 -10.488   2.381   3.223
  659    HA   HIS  22           HA       HIS  22  -8.920   2.701   5.560
  660    HB2  HIS  22           2HB      HIS  22 -10.967   4.323   4.134
  661    HB3  HIS  22           1HB      HIS  22 -10.677   4.713   5.826
  662    HD1  HIS  22           1HD      HIS  22  -8.940   6.402   6.190
  663    HD2  HIS  22           2HD      HIS  22  -8.369   4.340   2.620
  664    HE1  HIS  22           1HE      HIS  22  -6.957   7.490   5.087
  665    HE2  HIS  22           2HE      HIS  22  -6.705   6.306   2.875
  666    H    ASP  23           H        ASP  23 -12.389   2.249   5.036
  667    HA   ASP  23           HA       ASP  23 -13.300   2.603   7.614
  668    HB2  ASP  23           2HB      ASP  23 -14.653   2.335   5.496
  669    HB3  ASP  23           1HB      ASP  23 -14.424   0.597   5.656
  670    H    ARG  24           H        ARG  24 -12.247  -0.454   6.088
  671    HA   ARG  24           HA       ARG  24 -12.834  -1.977   8.452
  672    HB2  ARG  24           2HB      ARG  24 -11.420  -2.618   5.879
  673    HB3  ARG  24           1HB      ARG  24 -11.388  -3.747   7.223
  674    HG2  ARG  24           2HG      ARG  24 -13.129  -4.375   5.702
  675    HG3  ARG  24           1HG      ARG  24 -13.856  -3.794   7.201
  676    HD2  ARG  24           2HD      ARG  24 -14.352  -1.668   6.188
  677    HD3  ARG  24           1HD      ARG  24 -13.489  -2.126   4.721
  678    HE   ARG  24           HE       ARG  24 -15.604  -3.946   5.322
  679   HH11  ARG  24          1HH1      ARG  24 -14.921  -0.794   3.965
  680   HH12  ARG  24          2HH1      ARG  24 -16.311  -0.791   2.919
  681   HH21  ARG  24          1HH2      ARG  24 -17.420  -3.958   3.947
  682   HH22  ARG  24          2HH2      ARG  24 -17.739  -2.591   2.921
  683    H    LEU  25           H        LEU  25  -9.819  -0.787   6.982
  684    HA   LEU  25           HA       LEU  25  -8.145  -2.048   8.887
  685    HB2  LEU  25           2HB      LEU  25  -7.755   0.034   6.797
  686    HB3  LEU  25           1HB      LEU  25  -6.522  -0.139   8.032
  687    HG   LEU  25           HG       LEU  25  -5.999  -1.414   5.985
  688   HD11  LEU  25          1HD1      LEU  25  -6.545  -3.118   8.413
  689   HD12  LEU  25          2HD1      LEU  25  -5.101  -2.148   8.126
  690   HD13  LEU  25          3HD1      LEU  25  -5.455  -3.530   7.089
  691   HD21  LEU  25          3HD2      LEU  25  -8.451  -3.017   6.707
  692   HD22  LEU  25          1HD2      LEU  25  -7.271  -3.446   5.468
  693   HD23  LEU  25          2HD2      LEU  25  -8.255  -1.995   5.283
  694    H    MET  26           H        MET  26  -9.532   1.205   8.716
  695    HA   MET  26           HA       MET  26  -8.155   2.201  10.966
  696    HB2  MET  26           2HB      MET  26 -10.763   3.055   9.722
  697    HB3  MET  26           1HB      MET  26  -9.978   3.923  11.034
  698    HG2  MET  26           2HG      MET  26  -8.789   3.412   8.314
  699    HG3  MET  26           1HG      MET  26  -9.523   4.922   8.847
  700    HE1  MET  26           3HE      MET  26  -7.043   6.066  11.667
  701    HE2  MET  26           1HE      MET  26  -8.478   5.065  11.889
  702    HE3  MET  26           2HE      MET  26  -8.524   6.442  10.788
  703    H    GLU  27           H        GLU  27 -11.078   0.286  10.652
  704    HA   GLU  27           HA       GLU  27 -12.000   0.547  13.298
  705    HB2  GLU  27           2HB      GLU  27 -13.067  -0.656  11.257
  706    HB3  GLU  27           1HB      GLU  27 -12.109  -2.039  11.759
  707    HG2  GLU  27           2HG      GLU  27 -14.263  -2.329  12.673
  708    HG3  GLU  27           1HG      GLU  27 -13.206  -1.859  14.006
  709    H    ILE  28           H        ILE  28  -9.716  -1.692  11.807
  710    HA   ILE  28           HA       ILE  28  -8.983  -3.096  14.156
  711    HB   ILE  28           HB       ILE  28  -7.338  -2.608  11.661
  712   HG12  ILE  28          2HG1      ILE  28  -9.174  -4.910  12.351
  713   HG13  ILE  28          1HG1      ILE  28  -9.546  -3.628  11.203
  714   HG21  ILE  28          1HG2      ILE  28  -6.147  -4.652  12.297
  715   HG22  ILE  28          2HG2      ILE  28  -7.099  -4.741  13.780
  716   HG23  ILE  28          3HG2      ILE  28  -5.986  -3.397  13.525
  717   HD11  ILE  28          3HD1      ILE  28  -8.833  -5.672  10.087
  718   HD12  ILE  28          1HD1      ILE  28  -7.298  -5.613  10.951
  719   HD13  ILE  28          2HD1      ILE  28  -7.703  -4.349   9.789
  720    H    ALA  29           H        ALA  29  -7.857  -0.168  12.609
  721    HA   ALA  29           HA       ALA  29  -5.506   0.261  14.084
  722    HB1  ALA  29           1HB      ALA  29  -7.306   2.315  12.801
  723    HB2  ALA  29           2HB      ALA  29  -6.034   1.413  11.979
  724    HB3  ALA  29           3HB      ALA  29  -5.620   2.547  13.265
  725    H    LYS  30           H        LYS  30  -8.851   0.782  14.899
  726    HA   LYS  30           HA       LYS  30  -8.310   2.562  17.091
  727    HB2  LYS  30           2HB      LYS  30 -10.716   0.776  16.705
  728    HB3  LYS  30           1HB      LYS  30 -10.605   2.174  17.760
  729    HG2  LYS  30           2HG      LYS  30 -10.556   3.660  15.892
  730    HG3  LYS  30           1HG      LYS  30 -10.438   2.302  14.761
  731    HD2  LYS  30           2HD      LYS  30 -12.614   1.474  15.608
  732    HD3  LYS  30           1HD      LYS  30 -12.737   2.916  16.612
  733    HE2  LYS  30           2HE      LYS  30 -12.814   4.321  14.666
  734    HE3  LYS  30           1HE      LYS  30 -12.509   2.940  13.608
  735    HZ1  LYS  30           3HZ      LYS  30 -14.870   3.526  13.676
  736    HZ2  LYS  30           1HZ      LYS  30 -14.893   3.264  15.354
  737    HZ3  LYS  30           2HZ      LYS  30 -14.600   1.969  14.299
  738    H    GLU  31           H        GLU  31  -9.306  -0.807  16.809
  739    HA   GLU  31           HA       GLU  31  -9.243  -1.378  19.552
  740    HB2  GLU  31           2HB      GLU  31  -8.863  -3.364  17.312
  741    HB3  GLU  31           1HB      GLU  31  -9.500  -3.681  18.921
  742    HG2  GLU  31           2HG      GLU  31 -10.800  -2.044  16.758
  743    HG3  GLU  31           1HG      GLU  31 -11.296  -3.638  17.322
  744    H    LYS  32           H        LYS  32  -6.708  -1.481  17.128
  745    HA   LYS  32           HA       LYS  32  -4.903  -2.823  18.999
  746    HB2  LYS  32           2HB      LYS  32  -4.898  -2.345  16.074
  747    HB3  LYS  32           1HB      LYS  32  -3.332  -2.383  16.864
  748    HG2  LYS  32           2HG      LYS  32  -3.602  -4.568  16.186
  749    HG3  LYS  32           1HG      LYS  32  -4.147  -4.628  17.859
  750    HD2  LYS  32           2HD      LYS  32  -6.145  -4.132  15.703
  751    HD3  LYS  32           1HD      LYS  32  -5.527  -5.766  15.934
  752    HE2  LYS  32           2HE      LYS  32  -6.851  -4.064  18.041
  753    HE3  LYS  32           1HE      LYS  32  -7.607  -5.392  17.165
  754    HZ1  LYS  32           3HZ      LYS  32  -6.922  -6.211  19.260
  755    HZ2  LYS  32           1HZ      LYS  32  -5.365  -5.556  19.102
  756    HZ3  LYS  32           2HZ      LYS  32  -5.842  -6.853  18.119
  757    H    ASN  33           H        ASN  33  -5.829   0.275  18.425
  758    HA   ASN  33           HA       ASN  33  -4.992   2.346  18.817
  759    HB2  ASN  33           2HB      ASN  33  -3.203   0.665  20.534
  760    HB3  ASN  33           1HB      ASN  33  -2.898   2.389  20.369
  761   HD21  ASN  33          1HD2      ASN  33  -3.338   2.848  22.476
  762   HD22  ASN  33          2HD2      ASN  33  -4.942   2.787  23.146
  763    H    LEU  34           H        LEU  34  -4.235   1.138  16.431
  764    HA   LEU  34           HA       LEU  34  -1.497   2.141  15.999
  765    HB2  LEU  34           2HB      LEU  34  -3.111   0.151  14.390
  766    HB3  LEU  34           1HB      LEU  34  -1.522   0.744  13.942
  767    HG   LEU  34           HG       LEU  34  -2.131  -0.872  16.417
  768   HD11  LEU  34          1HD1      LEU  34  -2.408  -2.195  14.397
  769   HD12  LEU  34          2HD1      LEU  34  -0.953  -2.680  15.268
  770   HD13  LEU  34          3HD1      LEU  34  -0.822  -1.675  13.825
  771   HD21  LEU  34          3HD2      LEU  34  -0.237   0.628  16.710
  772   HD22  LEU  34          1HD2      LEU  34   0.487   0.017  15.222
  773   HD23  LEU  34          2HD2      LEU  34   0.298  -1.051  16.613
  774    H    THR  35           H        THR  35  -1.154   3.171  13.831
  775    HA   THR  35           HA       THR  35  -3.589   4.542  12.924
  776    HB   THR  35           HB       THR  35  -2.186   6.182  11.840
  777    HG1  THR  35           1HG      THR  35   0.132   4.841  12.821
  778   HG21  THR  35          3HG2      THR  35  -2.591   6.532  14.227
  779   HG22  THR  35          1HG2      THR  35  -1.006   7.149  13.758
  780   HG23  THR  35          2HG2      THR  35  -1.136   5.613  14.613
  781    H    LEU  36           H        LEU  36  -3.915   4.690  10.573
  782    HA   LEU  36           HA       LEU  36  -3.651   2.260   9.247
  783    HB2  LEU  36           2HB      LEU  36  -4.360   3.393   7.244
  784    HB3  LEU  36           1HB      LEU  36  -5.279   3.984   8.607
  785    HG   LEU  36           HG       LEU  36  -2.947   5.467   7.388
  786   HD11  LEU  36          1HD1      LEU  36  -5.904   5.815   6.940
  787   HD12  LEU  36          2HD1      LEU  36  -4.732   5.225   5.761
  788   HD13  LEU  36          3HD1      LEU  36  -4.641   6.889   6.342
  789   HD21  LEU  36          3HD2      LEU  36  -5.097   6.312   9.333
  790   HD22  LEU  36          1HD2      LEU  36  -3.930   7.398   8.578
  791   HD23  LEU  36          2HD2      LEU  36  -3.375   6.136   9.676
  792    H    SER  37           H        SER  37  -1.604   5.106   9.226
  793    HA   SER  37           HA       SER  37   0.234   4.448   7.266
  794    HB2  SER  37           2HB      SER  37   0.915   5.751   9.909
  795    HB3  SER  37           1HB      SER  37   1.709   5.992   8.352
  796    HG   SER  37           HG       SER  37   0.276   7.440   7.881
  797    H    ASP  38           H        ASP  38   0.235   3.577  10.710
  798    HA   ASP  38           HA       ASP  38   2.656   2.136  10.698
  799    HB2  ASP  38           2HB      ASP  38   0.233   1.918  12.501
  800    HB3  ASP  38           1HB      ASP  38   1.713   1.005  12.760
  801    H    VAL  39           H        VAL  39  -0.696   1.145  10.207
  802    HA   VAL  39           HA       VAL  39  -0.235  -1.623  10.258
  803    HB   VAL  39           HB       VAL  39  -2.427  -0.151   8.785
  804   HG11  VAL  39          1HG1      VAL  39  -2.191  -2.473   8.060
  805   HG12  VAL  39          2HG1      VAL  39  -3.676  -2.240   8.981
  806   HG13  VAL  39          3HG1      VAL  39  -2.283  -3.010   9.738
  807   HG21  VAL  39          3HG2      VAL  39  -2.358   0.434  11.158
  808   HG22  VAL  39          1HG2      VAL  39  -2.379  -1.276  11.585
  809   HG23  VAL  39          2HG2      VAL  39  -3.774  -0.550  10.787
  810    H    CYS  40           H        CYS  40  -0.244   0.673   7.529
  811    HA   CYS  40           HA       CYS  40  -0.046  -1.341   5.553
  812    HB2  CYS  40           2HB      CYS  40   0.915   1.498   5.195
  813    HB3  CYS  40           1HB      CYS  40   0.341   0.380   3.971
  814    HG   CYS  40           HG       CYS  40  -1.639   1.726   6.415
  815    H    ARG  41           H        ARG  41   2.510   0.871   6.790
  816    HA   ARG  41           HA       ARG  41   4.599  -0.485   5.535
  817    HB2  ARG  41           2HB      ARG  41   6.108   0.650   7.133
  818    HB3  ARG  41           1HB      ARG  41   4.969   1.727   6.345
  819    HG2  ARG  41           2HG      ARG  41   4.846   2.516   8.463
  820    HG3  ARG  41           1HG      ARG  41   3.571   1.300   8.533
  821    HD2  ARG  41           2HD      ARG  41   5.014  -0.257   9.635
  822    HD3  ARG  41           1HD      ARG  41   6.420   0.783   9.381
  823    HE   ARG  41           HE       ARG  41   4.398   2.136  10.851
  824   HH11  ARG  41          1HH1      ARG  41   6.931  -0.258  11.202
  825   HH12  ARG  41          2HH1      ARG  41   7.133   0.023  12.902
  826   HH21  ARG  41          1HH2      ARG  41   4.681   2.530  13.071
  827   HH22  ARG  41          2HH2      ARG  41   5.886   1.632  13.958
  828    H    LEU  42           H        LEU  42   3.077  -1.180   8.675
  829    HA   LEU  42           HA       LEU  42   5.005  -3.109   9.480
  830    HB2  LEU  42           2HB      LEU  42   2.102  -2.734  10.188
  831    HB3  LEU  42           1HB      LEU  42   3.055  -4.049  10.844
  832    HG   LEU  42           HG       LEU  42   3.678  -1.118  11.206
  833   HD11  LEU  42          1HD1      LEU  42   2.512  -3.118  13.141
  834   HD12  LEU  42          2HD1      LEU  42   1.639  -1.785  12.384
  835   HD13  LEU  42          3HD1      LEU  42   2.955  -1.451  13.510
  836   HD21  LEU  42          3HD2      LEU  42   4.900  -3.578  12.455
  837   HD22  LEU  42          1HD2      LEU  42   5.310  -1.907  12.842
  838   HD23  LEU  42          2HD2      LEU  42   5.659  -2.553  11.238
  839    H    ALA  43           H        ALA  43   2.215  -3.170   7.412
  840    HA   ALA  43           HA       ALA  43   2.171  -5.990   7.051
  841    HB1  ALA  43           1HB      ALA  43   0.212  -4.589   6.632
  842    HB2  ALA  43           2HB      ALA  43   0.653  -5.528   5.207
  843    HB3  ALA  43           3HB      ALA  43   1.055  -3.811   5.293
  844    H    ILE  44           H        ILE  44   4.077  -3.411   5.752
  845    HA   ILE  44           HA       ILE  44   4.945  -4.688   3.374
  846    HB   ILE  44           HB       ILE  44   6.346  -2.631   5.098
  847   HG12  ILE  44          2HG1      ILE  44   4.875  -2.400   2.463
  848   HG13  ILE  44          1HG1      ILE  44   4.304  -1.822   4.024
  849   HG21  ILE  44          1HG2      ILE  44   7.994  -3.930   3.853
  850   HG22  ILE  44          2HG2      ILE  44   7.877  -2.291   3.216
  851   HG23  ILE  44          3HG2      ILE  44   7.116  -3.628   2.354
  852   HD11  ILE  44          3HD1      ILE  44   6.178  -0.241   4.114
  853   HD12  ILE  44          1HD1      ILE  44   5.155   0.015   2.699
  854   HD13  ILE  44          2HD1      ILE  44   6.710  -0.802   2.528
  855    H    LYS  45           H        LYS  45   6.200  -4.543   6.681
  856    HA   LYS  45           HA       LYS  45   8.363  -6.274   6.313
  857    HB2  LYS  45           2HB      LYS  45   8.040  -4.932   8.364
  858    HB3  LYS  45           1HB      LYS  45   6.676  -5.955   8.806
  859    HG2  LYS  45           2HG      LYS  45   8.214  -7.897   8.860
  860    HG3  LYS  45           1HG      LYS  45   9.556  -6.798   8.551
  861    HD2  LYS  45           2HD      LYS  45   9.102  -5.626  10.630
  862    HD3  LYS  45           1HD      LYS  45   7.700  -6.660  10.926
  863    HE2  LYS  45           2HE      LYS  45   9.181  -8.620  10.995
  864    HE3  LYS  45           1HE      LYS  45  10.572  -7.570  10.731
  865    HZ1  LYS  45           3HZ      LYS  45   8.751  -7.520  13.077
  866    HZ2  LYS  45           1HZ      LYS  45  10.029  -6.433  12.817
  867    HZ3  LYS  45           2HZ      LYS  45  10.352  -8.080  13.054
  868    H    GLU  46           H        GLU  46   4.958  -6.912   6.905
  869    HA   GLU  46           HA       GLU  46   5.193  -9.714   7.310
  870    HB2  GLU  46           2HB      GLU  46   3.218  -8.346   7.976
  871    HB3  GLU  46           1HB      GLU  46   2.834  -8.122   6.279
  872    HG2  GLU  46           2HG      GLU  46   1.403  -9.809   7.119
  873    HG3  GLU  46           1HG      GLU  46   2.590 -10.596   6.081
  874    H    TYR  47           H        TYR  47   4.605  -7.665   4.516
  875    HA   TYR  47           HA       TYR  47   4.134  -9.690   2.633
  876    HB2  TYR  47           2HB      TYR  47   3.663  -7.225   2.372
  877    HB3  TYR  47           1HB      TYR  47   5.386  -6.986   2.112
  878    HD1  TYR  47           2HD      TYR  47   2.271  -8.267   0.692
  879    HD2  TYR  47           1HD      TYR  47   6.436  -7.697   0.020
  880    HE1  TYR  47           2HE      TYR  47   1.938  -8.694  -1.703
  881    HE2  TYR  47           1HE      TYR  47   6.109  -8.119  -2.380
  882    HH   TYR  47           HH       TYR  47   2.956  -8.329  -3.795
  883    H    LEU  48           H        LEU  48   7.083  -8.014   3.629
  884    HA   LEU  48           HA       LEU  48   8.839  -9.380   1.873
  885    HB2  LEU  48           2HB      LEU  48   9.450  -8.136   4.558
  886    HB3  LEU  48           1HB      LEU  48  10.631  -8.585   3.344
  887    HG   LEU  48           HG       LEU  48   8.545  -6.421   3.073
  888   HD11  LEU  48          1HD1      LEU  48  10.475  -4.911   3.083
  889   HD12  LEU  48          2HD1      LEU  48  11.540  -6.284   3.387
  890   HD13  LEU  48          3HD1      LEU  48  10.338  -5.817   4.590
  891   HD21  LEU  48          3HD2      LEU  48   9.660  -5.883   0.967
  892   HD22  LEU  48          1HD2      LEU  48   8.985  -7.512   0.934
  893   HD23  LEU  48          2HD2      LEU  48  10.719  -7.279   1.163
  894    H    ASP  49           H        ASP  49   7.787  -9.960   5.167
  895    HA   ASP  49           HA       ASP  49   9.594 -11.908   5.959
  896    HB2  ASP  49           2HB      ASP  49   7.833 -10.648   7.321
  897    HB3  ASP  49           1HB      ASP  49   6.691 -11.869   6.774
  898    H    ASN  50           H        ASN  50   6.496 -12.291   4.285
  899    HA   ASN  50           HA       ASN  50   6.558 -15.141   4.485
  900    HB2  ASN  50           2HB      ASN  50   4.746 -13.225   3.031
  901    HB3  ASN  50           1HB      ASN  50   4.571 -14.973   2.886
  902   HD21  ASN  50          1HD2      ASN  50   4.377 -12.244   5.042
  903   HD22  ASN  50          2HD2      ASN  50   3.481 -13.039   6.290
  904    H    HIS  51           H        HIS  51   7.644 -12.852   2.044
  905    HA   HIS  51           HA       HIS  51   7.968 -15.079   0.178
  906    HB2  HIS  51           2HB      HIS  51   8.193 -13.584  -1.572
  907    HB3  HIS  51           1HB      HIS  51   7.099 -12.719  -0.504
  908    HD1  HIS  51           1HD      HIS  51  10.761 -12.753  -1.522
  909    HD2  HIS  51           2HD      HIS  51   7.939 -10.216   0.192
  910    HE1  HIS  51           1HE      HIS  51  11.860 -10.494  -1.414
  911    HE2  HIS  51           2HE      HIS  51  10.074  -8.947  -0.549
  912    H    ASP  52           H        ASP  52   9.805 -13.150   2.358
  913    HA   ASP  52           HA       ASP  52  12.202 -14.668   1.647
  914    HB2  ASP  52           2HB      ASP  52  12.399 -12.522   0.449
  915    HB3  ASP  52           1HB      ASP  52  12.176 -11.661   1.969
  916    H    LYS  53           H        LYS  53  12.355 -15.784   3.473
  917    HA   LYS  53           HA       LYS  53  12.184 -14.353   6.038
  918    HB2  LYS  53           2HB      LYS  53  10.626 -16.305   5.554
  919    HB3  LYS  53           1HB      LYS  53  12.047 -17.338   5.574
  920    HG2  LYS  53           2HG      LYS  53  10.955 -17.491   7.691
  921    HG3  LYS  53           1HG      LYS  53  12.471 -16.612   7.908
  922    HD2  LYS  53           2HD      LYS  53  11.340 -14.530   8.038
  923    HD3  LYS  53           1HD      LYS  53   9.818 -15.248   7.505
  924    HE2  LYS  53           2HE      LYS  53   9.756 -16.588   9.567
  925    HE3  LYS  53           1HE      LYS  53  11.254 -15.818  10.095
  926    HZ1  LYS  53           3HZ      LYS  53   8.751 -14.350   9.488
  927    HZ2  LYS  53           1HZ      LYS  53  10.165 -13.717  10.174
  928    HZ3  LYS  53           2HZ      LYS  53   9.222 -14.819  11.049
  929    H    GLN  54           H        GLN  54  14.413 -15.183   3.878
  930    HA   GLN  54           HA       GLN  54  16.183 -16.701   5.619
  931    HB2  GLN  54           2HB      GLN  54  16.427 -15.964   2.703
  932    HB3  GLN  54           1HB      GLN  54  17.568 -16.970   3.589
  933    HG2  GLN  54           2HG      GLN  54  15.754 -18.569   4.052
  934    HG3  GLN  54           1HG      GLN  54  14.669 -17.578   3.079
  935   HE21  GLN  54          1HE2      GLN  54  15.497 -20.342   2.728
  936   HE22  GLN  54          2HE2      GLN  54  16.222 -20.428   1.150
  937    H    LYS  55           H        LYS  55  16.025 -14.360   6.756
  938    HA   LYS  55           HA       LYS  55  18.235 -12.698   5.930
  939    HB2  LYS  55           2HB      LYS  55  17.857 -11.427   7.985
  940    HB3  LYS  55           1HB      LYS  55  16.351 -11.649   7.110
  941    HG2  LYS  55           2HG      LYS  55  16.911 -13.669   9.177
  942    HG3  LYS  55           1HG      LYS  55  16.654 -12.026   9.765
  943    HD2  LYS  55           2HD      LYS  55  14.534 -11.956   8.463
  944    HD3  LYS  55           1HD      LYS  55  14.769 -13.653   8.057
  945    HE2  LYS  55           2HE      LYS  55  14.386 -12.469  10.795
  946    HE3  LYS  55           1HE      LYS  55  13.270 -13.515   9.919
  947    HZ1  LYS  55           3HZ      LYS  55  15.079 -15.245   9.999
  948    HZ2  LYS  55           1HZ      LYS  55  14.379 -14.854  11.496
  949    HZ3  LYS  55           2HZ      LYS  55  15.898 -14.233  11.088
  950    H    LYS  56           H        LYS  56  17.586 -15.301   8.129
  951    HA   LYS  56           HA       LYS  56  20.414 -15.924   8.126
  952    HB2  LYS  56           2HB      LYS  56  20.046 -14.647  10.253
  953    HB3  LYS  56           1HB      LYS  56  18.852 -15.853  10.722
  954    HG2  LYS  56           2HG      LYS  56  20.788 -17.542  10.348
  955    HG3  LYS  56           1HG      LYS  56  21.818 -16.116  10.496
  956    HD2  LYS  56           2HD      LYS  56  21.566 -17.239  12.648
  957    HD3  LYS  56           1HD      LYS  56  20.836 -15.634  12.685
  958    HE2  LYS  56           2HE      LYS  56  19.471 -17.425  13.775
  959    HE3  LYS  56           1HE      LYS  56  18.642 -16.540  12.496
  960    HZ1  LYS  56           3HZ      LYS  56  18.949 -18.346  11.001
  961    HZ2  LYS  56           1HZ      LYS  56  18.319 -18.990  12.440
  962    HZ3  LYS  56           2HZ      LYS  56  19.968 -19.168  12.085
  Start of MODEL    6
    1    H1   GLY   2           1HT      GLY   2 -13.835  20.058  -0.108
    2    H2   GLY   2           2HT      GLY   2 -12.977  21.495  -0.363
    3    H3   GLY   2           3HT      GLY   2 -12.414  20.362   0.764
    4    HA2  GLY   2           1HA      GLY   2 -12.610  19.939  -2.167
    5    HA3  GLY   2           2HA      GLY   2 -11.127  20.294  -1.293
    6    H    ARG   3           H        ARG   3 -11.329  18.058  -2.860
    7    HA   ARG   3           HA       ARG   3 -11.110  15.799  -2.927
    8    HB2  ARG   3           2HB      ARG   3 -10.318  16.200  -0.039
    9    HB3  ARG   3           1HB      ARG   3 -10.047  14.730  -0.963
   10    HG2  ARG   3           2HG      ARG   3  -8.581  15.924  -2.485
   11    HG3  ARG   3           1HG      ARG   3  -8.893  17.432  -1.622
   12    HD2  ARG   3           2HD      ARG   3  -7.549  14.969  -0.514
   13    HD3  ARG   3           1HD      ARG   3  -6.775  16.504  -0.915
   14    HE   ARG   3           HE       ARG   3  -8.890  16.848   0.960
   15   HH11  ARG   3          1HH1      ARG   3  -5.534  15.844   0.701
   16   HH12  ARG   3          2HH1      ARG   3  -5.179  16.237   2.353
   17   HH21  ARG   3          1HH2      ARG   3  -8.402  17.357   3.109
   18   HH22  ARG   3          2HH2      ARG   3  -6.790  17.102   3.712
   19    HA   PRO   4           HA       PRO   4 -15.360  15.168  -1.226
   20    HB2  PRO   4           2HB      PRO   4 -15.577  13.640  -3.750
   21    HB3  PRO   4           1HB      PRO   4 -16.644  14.886  -3.095
   22    HG2  PRO   4           2HG      PRO   4 -15.055  15.388  -5.185
   23    HG3  PRO   4           1HG      PRO   4 -15.363  16.616  -3.942
   24    HD2  PRO   4           2HD      PRO   4 -12.967  14.857  -4.318
   25    HD3  PRO   4           1HD      PRO   4 -13.042  16.578  -3.883
   26    H    TYR   5           H        TYR   5 -16.081  13.398  -0.126
   27    HA   TYR   5           HA       TYR   5 -14.269  11.146   0.024
   28    HB2  TYR   5           2HB      TYR   5 -15.391  10.514   2.010
   29    HB3  TYR   5           1HB      TYR   5 -15.349  12.271   2.057
   30    HD1  TYR   5           1HD      TYR   5 -17.458  13.539   1.409
   31    HD2  TYR   5           2HD      TYR   5 -17.434   9.344   2.116
   32    HE1  TYR   5           1HE      TYR   5 -19.896  13.580   1.706
   33    HE2  TYR   5           2HE      TYR   5 -19.875   9.374   2.414
   34    HH   TYR   5           HH       TYR   5 -21.793  11.976   1.480
   35    H    LYS   6           H        LYS   6 -14.672   9.123  -0.626
   36    HA   LYS   6           HA       LYS   6 -15.470   7.484  -1.957
   37    HB2  LYS   6           2HB      LYS   6 -17.048   7.249  -0.123
   38    HB3  LYS   6           1HB      LYS   6 -18.112   8.443  -0.862
   39    HG2  LYS   6           2HG      LYS   6 -18.719   7.028  -2.581
   40    HG3  LYS   6           1HG      LYS   6 -17.319   5.980  -2.347
   41    HD2  LYS   6           2HD      LYS   6 -18.259   5.193  -0.232
   42    HD3  LYS   6           1HD      LYS   6 -19.636   6.275  -0.430
   43    HE2  LYS   6           2HE      LYS   6 -18.909   4.005  -2.279
   44    HE3  LYS   6           1HE      LYS   6 -20.177   3.962  -1.055
   45    HZ1  LYS   6           3HZ      LYS   6 -20.080   5.658  -3.489
   46    HZ2  LYS   6           1HZ      LYS   6 -21.207   5.877  -2.240
   47    HZ3  LYS   6           2HZ      LYS   6 -21.195   4.432  -3.124
   48    H    LEU   7           H        LEU   7 -14.723   8.737  -3.707
   49    HA   LEU   7           HA       LEU   7 -16.712   9.033  -5.763
   50    HB2  LEU   7           2HB      LEU   7 -16.753  11.290  -4.870
   51    HB3  LEU   7           1HB      LEU   7 -15.003  11.377  -4.911
   52    HG   LEU   7           HG       LEU   7 -15.071  11.265  -7.383
   53   HD11  LEU   7          1HD1      LEU   7 -17.141  10.059  -7.688
   54   HD12  LEU   7          2HD1      LEU   7 -17.220  11.611  -8.525
   55   HD13  LEU   7          3HD1      LEU   7 -18.055  11.394  -6.986
   56   HD21  LEU   7          3HD2      LEU   7 -15.921  13.527  -7.738
   57   HD22  LEU   7          1HD2      LEU   7 -14.974  13.424  -6.253
   58   HD23  LEU   7          2HD2      LEU   7 -16.735  13.472  -6.176
   59    H    LEU   8           H        LEU   8 -13.380   9.944  -5.012
   60    HA   LEU   8           HA       LEU   8 -12.397   8.735  -7.463
   61    HB2  LEU   8           2HB      LEU   8 -11.508  10.897  -6.661
   62    HB3  LEU   8           1HB      LEU   8 -10.955  10.123  -5.192
   63    HG   LEU   8           HG       LEU   8  -9.423   8.713  -6.590
   64   HD11  LEU   8          1HD1      LEU   8 -10.259  10.616  -8.770
   65   HD12  LEU   8          2HD1      LEU   8 -10.628   8.892  -8.704
   66   HD13  LEU   8          3HD1      LEU   8  -8.956   9.430  -8.870
   67   HD21  LEU   8          3HD2      LEU   8  -8.627  10.701  -5.421
   68   HD22  LEU   8          1HD2      LEU   8  -9.072  11.699  -6.803
   69   HD23  LEU   8          2HD2      LEU   8  -7.796  10.495  -6.963
   70    H    ASN   9           H        ASN   9 -13.218   7.776  -4.451
   71    HA   ASN   9           HA       ASN   9 -12.678   6.195  -2.939
   72    HB2  ASN   9           2HB      ASN   9 -12.304   4.779  -5.561
   73    HB3  ASN   9           1HB      ASN   9 -12.098   3.937  -4.027
   74   HD21  ASN   9          1HD2      ASN   9 -13.842   2.627  -4.188
   75   HD22  ASN   9          2HD2      ASN   9 -15.479   3.192  -4.155
   76    H    GLY  10           H        GLY  10 -10.777   7.906  -2.847
   77    HA2  GLY  10           2HA      GLY  10  -8.486   6.328  -2.120
   78    HA3  GLY  10           1HA      GLY  10  -8.194   7.446  -3.451
   79    H    ILE  11           H        ILE  11  -8.015   7.082  -0.217
   80    HA   ILE  11           HA       ILE  11  -8.423   9.943   0.346
   81    HB   ILE  11           HB       ILE  11  -8.373   7.537   2.184
   82   HG12  ILE  11          2HG1      ILE  11 -10.616   8.424   2.862
   83   HG13  ILE  11          1HG1      ILE  11 -10.477   9.631   1.590
   84   HG21  ILE  11          1HG2      ILE  11  -8.411  10.445   2.968
   85   HG22  ILE  11          2HG2      ILE  11  -7.133   9.277   3.305
   86   HG23  ILE  11          3HG2      ILE  11  -8.715   9.093   4.060
   87   HD11  ILE  11          3HD1      ILE  11 -10.409   7.856  -0.085
   88   HD12  ILE  11          1HD1      ILE  11 -11.881   7.785   0.887
   89   HD13  ILE  11          2HD1      ILE  11 -10.565   6.646   1.192
   90    H    LYS  12           H        LYS  12  -6.778  11.002   1.669
   91    HA   LYS  12           HA       LYS  12  -4.157  10.147   0.691
   92    HB2  LYS  12           2HB      LYS  12  -4.757  12.339  -0.036
   93    HB3  LYS  12           1HB      LYS  12  -5.268  12.811   1.579
   94    HG2  LYS  12           2HG      LYS  12  -3.164  13.853   1.029
   95    HG3  LYS  12           1HG      LYS  12  -2.940  12.693   2.337
   96    HD2  LYS  12           2HD      LYS  12  -2.062  11.060   0.747
   97    HD3  LYS  12           1HD      LYS  12  -2.310  12.201  -0.576
   98    HE2  LYS  12           2HE      LYS  12   0.017  12.208   0.116
   99    HE3  LYS  12           1HE      LYS  12  -0.737  13.756   0.494
  100    HZ1  LYS  12           3HZ      LYS  12  -0.117  11.553   2.383
  101    HZ2  LYS  12           1HZ      LYS  12  -1.062  12.899   2.796
  102    HZ3  LYS  12           2HZ      LYS  12   0.560  13.109   2.352
  103    H    LEU  13           H        LEU  13  -2.752   9.330   1.999
  104    HA   LEU  13           HA       LEU  13  -2.744  10.111   4.824
  105    HB2  LEU  13           2HB      LEU  13  -2.072   7.777   5.397
  106    HB3  LEU  13           1HB      LEU  13  -3.720   7.933   4.829
  107    HG   LEU  13           HG       LEU  13  -1.548   7.124   2.925
  108   HD11  LEU  13          1HD1      LEU  13  -1.363   5.627   4.856
  109   HD12  LEU  13          2HD1      LEU  13  -1.998   4.789   3.442
  110   HD13  LEU  13          3HD1      LEU  13  -3.086   5.270   4.742
  111   HD21  LEU  13          3HD2      LEU  13  -3.417   5.984   1.815
  112   HD22  LEU  13          1HD2      LEU  13  -3.729   7.712   2.001
  113   HD23  LEU  13          2HD2      LEU  13  -4.509   6.552   3.079
  114    H    GLY  14           H        GLY  14  -0.656   9.621   5.878
  115    HA2  GLY  14           2HA      GLY  14   1.572   9.595   3.961
  116    HA3  GLY  14           1HA      GLY  14   1.495  10.831   5.214
  117    H    VAL  15           H        VAL  15   2.928   8.046   4.446
  118    HA   VAL  15           HA       VAL  15   2.842   6.900   7.153
  119    HB   VAL  15           HB       VAL  15   3.877   5.656   4.588
  120   HG11  VAL  15          1HG1      VAL  15   3.331   4.412   7.275
  121   HG12  VAL  15          2HG1      VAL  15   4.921   4.721   6.574
  122   HG13  VAL  15          3HG1      VAL  15   3.836   3.554   5.820
  123   HG21  VAL  15          3HG2      VAL  15   1.252   5.213   6.002
  124   HG22  VAL  15          1HG2      VAL  15   1.835   4.309   4.606
  125   HG23  VAL  15          2HG2      VAL  15   1.477   6.028   4.455
  126    H    TYR  16           H        TYR  16   4.854   6.256   8.135
  127    HA   TYR  16           HA       TYR  16   7.225   7.656   7.072
  128    HB2  TYR  16           2HB      TYR  16   6.011   8.728   9.115
  129    HB3  TYR  16           1HB      TYR  16   6.698   7.376  10.011
  130    HD1  TYR  16           1HD      TYR  16   8.137   9.417   7.277
  131    HD2  TYR  16           2HD      TYR  16   8.372   8.279  11.363
  132    HE1  TYR  16           1HE      TYR  16  10.233  10.656   7.483
  133    HE2  TYR  16           2HE      TYR  16  10.480   9.523  11.595
  134    HH   TYR  16           HH       TYR  16  12.304  10.336  10.165
  135    H    ILE  17           H        ILE  17   8.839   6.272   6.734
  136    HA   ILE  17           HA       ILE  17   9.105   3.955   8.492
  137    HB   ILE  17           HB       ILE  17   9.389   2.362   6.711
  138   HG12  ILE  17          2HG1      ILE  17   8.769   4.606   4.777
  139   HG13  ILE  17          1HG1      ILE  17  10.340   3.830   4.983
  140   HG21  ILE  17          1HG2      ILE  17   6.853   3.938   6.337
  141   HG22  ILE  17          2HG2      ILE  17   7.136   2.658   7.517
  142   HG23  ILE  17          3HG2      ILE  17   7.119   2.282   5.794
  143   HD11  ILE  17          3HD1      ILE  17   9.268   1.669   4.331
  144   HD12  ILE  17          1HD1      ILE  17   9.304   2.889   3.053
  145   HD13  ILE  17          2HD1      ILE  17   7.811   2.583   3.939
  146    HA   PRO  18           HA       PRO  18  13.324   4.811   8.681
  147    HB2  PRO  18           2HB      PRO  18  13.911   1.951   8.167
  148    HB3  PRO  18           1HB      PRO  18  14.335   2.958   9.555
  149    HG2  PRO  18           2HG      PRO  18  12.411   1.131   9.745
  150    HG3  PRO  18           1HG      PRO  18  12.244   2.711  10.535
  151    HD2  PRO  18           2HD      PRO  18  11.016   1.722   7.992
  152    HD3  PRO  18           1HD      PRO  18  10.293   2.701   9.288
  153    H    GLN  19           H        GLN  19  15.440   4.623   7.686
  154    HA   GLN  19           HA       GLN  19  15.345   5.100   4.886
  155    HB2  GLN  19           2HB      GLN  19  16.953   6.322   6.113
  156    HB3  GLN  19           1HB      GLN  19  17.580   4.880   6.890
  157    HG2  GLN  19           2HG      GLN  19  19.198   5.593   5.327
  158    HG3  GLN  19           1HG      GLN  19  18.447   4.147   4.670
  159   HE21  GLN  19          1HE2      GLN  19  16.069   5.493   3.699
  160   HE22  GLN  19          2HE2      GLN  19  16.562   6.435   2.338
  161    H    GLU  20           H        GLU  20  16.535   2.454   6.893
  162    HA   GLU  20           HA       GLU  20  17.649   0.797   4.982
  163    HB2  GLU  20           2HB      GLU  20  15.890  -0.224   7.211
  164    HB3  GLU  20           1HB      GLU  20  17.287  -1.010   6.495
  165    HG2  GLU  20           2HG      GLU  20  18.119  -0.284   8.506
  166    HG3  GLU  20           1HG      GLU  20  18.604   1.014   7.418
  167    H    TRP  21           H        TRP  21  14.306   1.343   5.806
  168    HA   TRP  21           HA       TRP  21  13.183  -0.687   4.140
  169    HB2  TRP  21           2HB      TRP  21  12.097   1.784   5.476
  170    HB3  TRP  21           1HB      TRP  21  11.109   0.834   4.377
  171    HD1  TRP  21           HD       TRP  21  13.414  -0.577   7.174
  172    HE1  TRP  21           1HE      TRP  21  11.898  -1.880   8.814
  173    HE3  TRP  21           3HE      TRP  21   8.904   0.461   5.056
  174    HZ2  TRP  21           2HZ      TRP  21   9.119  -2.386   9.133
  175    HZ3  TRP  21           3HZ      TRP  21   6.872  -0.449   6.074
  176    HH2  TRP  21           HH       TRP  21   6.975  -1.829   8.056
  177    H    HIS  22           H        HIS  22  13.289   2.854   3.953
  178    HA   HIS  22           HA       HIS  22  12.075   3.178   1.495
  179    HB2  HIS  22           2HB      HIS  22  12.900   4.921   3.273
  180    HB3  HIS  22           1HB      HIS  22  14.347   4.974   2.265
  181    HD1  HIS  22           1HD      HIS  22  14.179   6.210   0.023
  182    HD2  HIS  22           2HD      HIS  22  10.553   5.894   2.041
  183    HE1  HIS  22           1HE      HIS  22  12.588   7.737  -1.184
  184    HE2  HIS  22           2HE      HIS  22  10.466   7.688   0.178
  185    H    ASP  23           H        ASP  23  15.504   2.652   2.198
  186    HA   ASP  23           HA       ASP  23  16.494   3.039  -0.393
  187    HB2  ASP  23           2HB      ASP  23  17.852   2.868   1.715
  188    HB3  ASP  23           1HB      ASP  23  17.598   1.126   1.671
  189    H    ARG  24           H        ARG  24  15.634  -0.032   1.249
  190    HA   ARG  24           HA       ARG  24  16.158  -1.569  -1.115
  191    HB2  ARG  24           2HB      ARG  24  15.088  -2.134   1.605
  192    HB3  ARG  24           1HB      ARG  24  14.746  -3.301   0.338
  193    HG2  ARG  24           2HG      ARG  24  16.745  -3.841   1.697
  194    HG3  ARG  24           1HG      ARG  24  17.075  -3.693  -0.028
  195    HD2  ARG  24           2HD      ARG  24  18.078  -1.562   0.263
  196    HD3  ARG  24           1HD      ARG  24  17.513  -1.445   1.930
  197    HE   ARG  24           HE       ARG  24  19.039  -3.623   2.075
  198   HH11  ARG  24          1HH1      ARG  24  19.744  -0.533   0.523
  199   HH12  ARG  24          2HH1      ARG  24  21.449  -0.645   0.843
  200   HH21  ARG  24          1HH2      ARG  24  21.254  -3.741   2.484
  201   HH22  ARG  24          2HH2      ARG  24  22.315  -2.460   1.958
  202    H    LEU  25           H        LEU  25  13.313  -0.120   0.298
  203    HA   LEU  25           HA       LEU  25  11.389  -1.422  -1.314
  204    HB2  LEU  25           2HB      LEU  25  11.452   0.979   0.426
  205    HB3  LEU  25           1HB      LEU  25  10.186   0.924  -0.785
  206    HG   LEU  25           HG       LEU  25   9.462   0.083   1.436
  207   HD11  LEU  25          1HD1      LEU  25   8.370  -1.936   0.603
  208   HD12  LEU  25          2HD1      LEU  25   9.470  -1.962  -0.776
  209   HD13  LEU  25          3HD1      LEU  25   8.324  -0.634  -0.585
  210   HD21  LEU  25          3HD2      LEU  25  11.403  -2.159   0.887
  211   HD22  LEU  25          1HD2      LEU  25  10.218  -2.117   2.192
  212   HD23  LEU  25          2HD2      LEU  25  11.545  -0.953   2.164
  213    H    MET  26           H        MET  26  13.224   1.590  -1.709
  214    HA   MET  26           HA       MET  26  11.917   2.411  -4.069
  215    HB2  MET  26           2HB      MET  26  14.634   3.074  -2.963
  216    HB3  MET  26           1HB      MET  26  14.015   3.784  -4.447
  217    HG2  MET  26           2HG      MET  26  12.783   4.007  -1.713
  218    HG3  MET  26           1HG      MET  26  13.680   5.265  -2.563
  219    HE1  MET  26           3HE      MET  26  11.279   6.002  -5.596
  220    HE2  MET  26           1HE      MET  26  12.626   4.864  -5.539
  221    HE3  MET  26           2HE      MET  26  12.786   6.458  -4.801
  222    H    GLU  27           H        GLU  27  14.605   0.199  -3.534
  223    HA   GLU  27           HA       GLU  27  15.316  -0.063  -6.258
  224    HB2  GLU  27           2HB      GLU  27  16.736  -0.960  -4.477
  225    HB3  GLU  27           1HB      GLU  27  15.479  -2.107  -4.033
  226    HG2  GLU  27           2HG      GLU  27  15.714  -3.265  -6.118
  227    HG3  GLU  27           1HG      GLU  27  16.837  -2.046  -6.716
  228    H    ILE  28           H        ILE  28  13.026  -1.821  -4.226
  229    HA   ILE  28           HA       ILE  28  12.036  -3.570  -6.205
  230    HB   ILE  28           HB       ILE  28  10.630  -2.449  -3.769
  231   HG12  ILE  28          2HG1      ILE  28  12.134  -5.049  -4.141
  232   HG13  ILE  28          1HG1      ILE  28  12.737  -3.645  -3.270
  233   HG21  ILE  28          1HG2      ILE  28   9.956  -4.862  -5.449
  234   HG22  ILE  28          2HG2      ILE  28   9.026  -3.367  -5.338
  235   HG23  ILE  28          3HG2      ILE  28   9.173  -4.421  -3.931
  236   HD11  ILE  28          3HD1      ILE  28  11.925  -5.315  -1.729
  237   HD12  ILE  28          1HD1      ILE  28  10.347  -5.312  -2.516
  238   HD13  ILE  28          2HD1      ILE  28  10.908  -3.877  -1.657
  239    H    ALA  29           H        ALA  29  11.265  -0.294  -5.298
  240    HA   ALA  29           HA       ALA  29   8.833   0.024  -6.659
  241    HB1  ALA  29           1HB      ALA  29  10.904   2.132  -6.062
  242    HB2  ALA  29           2HB      ALA  29   9.659   1.575  -4.943
  243    HB3  ALA  29           3HB      ALA  29   9.201   2.408  -6.429
  244    H    LYS  30           H        LYS  30  12.176   0.336  -7.763
  245    HA   LYS  30           HA       LYS  30  11.382   1.468 -10.293
  246    HB2  LYS  30           2HB      LYS  30  14.032   0.208  -9.584
  247    HB3  LYS  30           1HB      LYS  30  13.702   1.276 -10.942
  248    HG2  LYS  30           2HG      LYS  30  13.170   3.075  -9.299
  249    HG3  LYS  30           1HG      LYS  30  13.734   1.992  -8.023
  250    HD2  LYS  30           2HD      LYS  30  15.881   1.790  -9.388
  251    HD3  LYS  30           1HD      LYS  30  15.299   3.189 -10.292
  252    HE2  LYS  30           2HE      LYS  30  16.753   3.980  -8.578
  253    HE3  LYS  30           1HE      LYS  30  15.105   4.405  -8.118
  254    HZ1  LYS  30           3HZ      LYS  30  16.454   3.494  -6.280
  255    HZ2  LYS  30           1HZ      LYS  30  16.564   2.022  -7.111
  256    HZ3  LYS  30           2HZ      LYS  30  15.056   2.585  -6.584
  257    H    GLU  31           H        GLU  31  12.408  -1.661  -9.088
  258    HA   GLU  31           HA       GLU  31  12.657  -2.983 -11.538
  259    HB2  GLU  31           2HB      GLU  31  13.529  -3.813  -9.370
  260    HB3  GLU  31           1HB      GLU  31  11.881  -4.180  -8.875
  261    HG2  GLU  31           2HG      GLU  31  11.688  -5.747 -10.760
  262    HG3  GLU  31           1HG      GLU  31  13.366  -5.409 -11.185
  263    H    LYS  32           H        LYS  32   9.848  -2.643  -9.382
  264    HA   LYS  32           HA       LYS  32   8.237  -4.190 -11.265
  265    HB2  LYS  32           2HB      LYS  32   7.688  -3.181  -8.485
  266    HB3  LYS  32           1HB      LYS  32   6.411  -3.822  -9.504
  267    HG2  LYS  32           2HG      LYS  32   7.043  -5.626  -8.181
  268    HG3  LYS  32           1HG      LYS  32   7.870  -5.912  -9.711
  269    HD2  LYS  32           2HD      LYS  32   9.947  -5.125  -8.812
  270    HD3  LYS  32           1HD      LYS  32   9.158  -4.588  -7.328
  271    HE2  LYS  32           2HE      LYS  32  10.217  -6.632  -6.798
  272    HE3  LYS  32           1HE      LYS  32   8.502  -7.000  -6.960
  273    HZ1  LYS  32           3HZ      LYS  32   9.689  -8.685  -8.081
  274    HZ2  LYS  32           1HZ      LYS  32  10.669  -7.568  -8.899
  275    HZ3  LYS  32           2HZ      LYS  32   9.025  -7.701  -9.294
  276    H    ASN  33           H        ASN  33   9.125  -1.059 -10.922
  277    HA   ASN  33           HA       ASN  33   8.441   0.917 -11.801
  278    HB2  ASN  33           2HB      ASN  33   7.987  -0.698 -13.773
  279    HB3  ASN  33           1HB      ASN  33   6.291  -0.529 -13.335
  280   HD21  ASN  33          1HD2      ASN  33   7.646   0.253 -15.761
  281   HD22  ASN  33          2HD2      ASN  33   7.383   1.951 -15.943
  282    H    LEU  34           H        LEU  34   7.603   0.605  -9.388
  283    HA   LEU  34           HA       LEU  34   4.844   1.609  -9.316
  284    HB2  LEU  34           2HB      LEU  34   6.032  -0.513  -7.521
  285    HB3  LEU  34           1HB      LEU  34   4.513   0.307  -7.203
  286    HG   LEU  34           HG       LEU  34   5.056  -1.416  -9.623
  287   HD11  LEU  34          1HD1      LEU  34   3.638  -3.069  -8.537
  288   HD12  LEU  34          2HD1      LEU  34   3.481  -2.027  -7.123
  289   HD13  LEU  34          3HD1      LEU  34   5.050  -2.713  -7.541
  290   HD21  LEU  34          3HD2      LEU  34   2.505  -0.197  -8.568
  291   HD22  LEU  34          1HD2      LEU  34   2.638  -1.279  -9.954
  292   HD23  LEU  34          2HD2      LEU  34   3.382   0.319 -10.009
  293    H    THR  35           H        THR  35   4.411   2.665  -7.151
  294    HA   THR  35           HA       THR  35   6.840   4.015  -6.193
  295    HB   THR  35           HB       THR  35   4.159   4.874  -5.229
  296    HG1  THR  35           1HG      THR  35   3.594   4.640  -7.348
  297   HG21  THR  35          3HG2      THR  35   6.196   6.066  -4.577
  298   HG22  THR  35          1HG2      THR  35   5.146   7.103  -5.544
  299   HG23  THR  35          2HG2      THR  35   6.573   6.369  -6.274
  300    H    LEU  36           H        LEU  36   7.227   4.116  -3.925
  301    HA   LEU  36           HA       LEU  36   6.802   1.740  -2.532
  302    HB2  LEU  36           2HB      LEU  36   7.787   2.799  -0.623
  303    HB3  LEU  36           1HB      LEU  36   8.635   3.331  -2.060
  304    HG   LEU  36           HG       LEU  36   6.469   5.010  -0.822
  305   HD11  LEU  36          1HD1      LEU  36   9.407   5.051  -0.149
  306   HD12  LEU  36          2HD1      LEU  36   8.117   4.490   0.913
  307   HD13  LEU  36          3HD1      LEU  36   8.187   6.185   0.434
  308   HD21  LEU  36          3HD2      LEU  36   7.746   6.835  -1.886
  309   HD22  LEU  36          1HD2      LEU  36   7.154   5.654  -3.053
  310   HD23  LEU  36          2HD2      LEU  36   8.848   5.640  -2.568
  311    H    SER  37           H        SER  37   4.894   4.655  -2.642
  312    HA   SER  37           HA       SER  37   3.119   4.164  -0.537
  313    HB2  SER  37           2HB      SER  37   1.496   5.463  -2.058
  314    HB3  SER  37           1HB      SER  37   3.000   6.276  -1.616
  315    HG   SER  37           HG       SER  37   2.089   5.767  -4.045
  316    H    ASP  38           H        ASP  38   3.029   3.136  -3.924
  317    HA   ASP  38           HA       ASP  38   0.615   1.691  -3.789
  318    HB2  ASP  38           2HB      ASP  38   2.971   1.182  -5.622
  319    HB3  ASP  38           1HB      ASP  38   1.325   0.618  -5.873
  320    H    VAL  39           H        VAL  39   3.992   0.792  -3.313
  321    HA   VAL  39           HA       VAL  39   3.569  -1.982  -3.029
  322    HB   VAL  39           HB       VAL  39   5.793  -0.335  -1.807
  323   HG11  VAL  39          1HG1      VAL  39   5.643  -2.568  -0.856
  324   HG12  VAL  39          2HG1      VAL  39   7.071  -2.426  -1.883
  325   HG13  VAL  39          3HG1      VAL  39   5.639  -3.272  -2.473
  326   HG21  VAL  39          3HG2      VAL  39   5.654   0.043  -4.206
  327   HG22  VAL  39          1HG2      VAL  39   5.641  -1.698  -4.495
  328   HG23  VAL  39          2HG2      VAL  39   7.074  -0.925  -3.814
  329    H    CYS  40           H        CYS  40   3.537   0.670  -0.703
  330    HA   CYS  40           HA       CYS  40   3.313  -0.946   1.621
  331    HB2  CYS  40           2HB      CYS  40   3.896   1.600   1.332
  332    HB3  CYS  40           1HB      CYS  40   2.159   1.835   1.429
  333    HG   CYS  40           HG       CYS  40   2.974  -0.062   3.918
  334    H    ARG  41           H        ARG  41   0.850   0.877  -0.188
  335    HA   ARG  41           HA       ARG  41  -1.485  -0.104   0.765
  336    HB2  ARG  41           2HB      ARG  41  -1.231   1.570  -1.032
  337    HB3  ARG  41           1HB      ARG  41  -0.715   0.312  -2.136
  338    HG2  ARG  41           2HG      ARG  41  -3.400   0.163  -0.838
  339    HG3  ARG  41           1HG      ARG  41  -3.138   1.207  -2.234
  340    HD2  ARG  41           2HD      ARG  41  -2.318  -0.755  -3.495
  341    HD3  ARG  41           1HD      ARG  41  -2.674  -1.775  -2.100
  342    HE   ARG  41           HE       ARG  41  -4.919  -0.230  -3.075
  343   HH11  ARG  41          1HH1      ARG  41  -3.165  -3.244  -3.304
  344   HH12  ARG  41          2HH1      ARG  41  -4.499  -4.124  -3.987
  345   HH21  ARG  41          1HH2      ARG  41  -6.687  -1.374  -3.946
  346   HH22  ARG  41          2HH2      ARG  41  -6.523  -3.070  -4.309
  347    H    LEU  42           H        LEU  42   0.525  -1.672  -1.727
  348    HA   LEU  42           HA       LEU  42  -1.142  -3.953  -2.020
  349    HB2  LEU  42           2HB      LEU  42   1.791  -3.596  -2.654
  350    HB3  LEU  42           1HB      LEU  42   0.813  -4.956  -3.173
  351    HG   LEU  42           HG       LEU  42   0.351  -2.083  -3.979
  352   HD11  LEU  42          1HD1      LEU  42   2.402  -2.962  -4.943
  353   HD12  LEU  42          2HD1      LEU  42   1.153  -2.801  -6.178
  354   HD13  LEU  42          3HD1      LEU  42   1.539  -4.389  -5.516
  355   HD21  LEU  42          3HD2      LEU  42  -1.708  -3.380  -3.948
  356   HD22  LEU  42          1HD2      LEU  42  -0.943  -4.645  -4.910
  357   HD23  LEU  42          2HD2      LEU  42  -1.210  -3.049  -5.607
  358    H    ALA  43           H        ALA  43   1.328  -3.088   0.227
  359    HA   ALA  43           HA       ALA  43   1.990  -5.685   1.118
  360    HB1  ALA  43           1HB      ALA  43   3.436  -3.765   1.526
  361    HB2  ALA  43           2HB      ALA  43   3.001  -4.573   3.031
  362    HB3  ALA  43           3HB      ALA  43   2.208  -3.065   2.581
  363    H    ILE  44           H        ILE  44  -0.478  -3.337   2.046
  364    HA   ILE  44           HA       ILE  44  -1.360  -4.777   4.346
  365    HB   ILE  44           HB       ILE  44  -3.074  -2.884   2.728
  366   HG12  ILE  44          2HG1      ILE  44  -1.146  -2.260   4.970
  367   HG13  ILE  44          1HG1      ILE  44  -1.030  -1.699   3.303
  368   HG21  ILE  44          1HG2      ILE  44  -3.143  -3.747   5.618
  369   HG22  ILE  44          2HG2      ILE  44  -4.279  -4.219   4.353
  370   HG23  ILE  44          3HG2      ILE  44  -4.202  -2.539   4.890
  371   HD11  ILE  44          3HD1      ILE  44  -3.196  -0.960   5.259
  372   HD12  ILE  44          1HD1      ILE  44  -3.090  -0.417   3.585
  373   HD13  ILE  44          2HD1      ILE  44  -1.854   0.066   4.747
  374    H    LYS  45           H        LYS  45  -2.179  -4.760   0.935
  375    HA   LYS  45           HA       LYS  45  -4.446  -6.371   1.040
  376    HB2  LYS  45           2HB      LYS  45  -3.776  -5.260  -1.025
  377    HB3  LYS  45           1HB      LYS  45  -2.319  -6.247  -1.107
  378    HG2  LYS  45           2HG      LYS  45  -4.040  -7.046  -2.647
  379    HG3  LYS  45           1HG      LYS  45  -3.668  -8.249  -1.411
  380    HD2  LYS  45           2HD      LYS  45  -5.862  -8.360  -1.027
  381    HD3  LYS  45           1HD      LYS  45  -5.718  -6.762  -0.296
  382    HE2  LYS  45           2HE      LYS  45  -7.481  -6.665  -1.894
  383    HE3  LYS  45           1HE      LYS  45  -6.109  -5.782  -2.564
  384    HZ1  LYS  45           3HZ      LYS  45  -6.780  -8.600  -3.220
  385    HZ2  LYS  45           1HZ      LYS  45  -5.571  -7.655  -3.944
  386    HZ3  LYS  45           2HZ      LYS  45  -7.208  -7.265  -4.174
  387    H    GLU  46           H        GLU  46  -1.014  -7.291   0.834
  388    HA   GLU  46           HA       GLU  46  -1.618 -10.092   0.875
  389    HB2  GLU  46           2HB      GLU  46   0.457  -9.133  -0.154
  390    HB3  GLU  46           1HB      GLU  46   1.030  -8.761   1.469
  391    HG2  GLU  46           2HG      GLU  46   1.020 -11.104   2.049
  392    HG3  GLU  46           1HG      GLU  46   0.347 -11.520   0.474
  393    H    TYR  47           H        TYR  47  -1.028  -7.605   3.195
  394    HA   TYR  47           HA       TYR  47  -0.523  -9.172   5.461
  395    HB2  TYR  47           2HB      TYR  47  -0.235  -6.722   5.382
  396    HB3  TYR  47           1HB      TYR  47  -1.976  -6.522   5.243
  397    HD1  TYR  47           2HD      TYR  47   0.779  -7.427   7.501
  398    HD2  TYR  47           1HD      TYR  47  -3.397  -6.680   7.188
  399    HE1  TYR  47           2HE      TYR  47   0.625  -7.282   9.952
  400    HE2  TYR  47           1HE      TYR  47  -3.559  -6.526   9.636
  401    HH   TYR  47           HH       TYR  47  -2.350  -7.292  11.616
  402    H    LEU  48           H        LEU  48  -3.525  -7.995   4.008
  403    HA   LEU  48           HA       LEU  48  -5.283  -9.291   5.820
  404    HB2  LEU  48           2HB      LEU  48  -5.777  -8.468   2.955
  405    HB3  LEU  48           1HB      LEU  48  -7.012  -8.880   4.129
  406    HG   LEU  48           HG       LEU  48  -5.171  -6.489   4.240
  407   HD11  LEU  48          1HD1      LEU  48  -8.139  -6.718   3.753
  408   HD12  LEU  48          2HD1      LEU  48  -6.914  -6.276   2.563
  409   HD13  LEU  48          3HD1      LEU  48  -7.239  -5.212   3.931
  410   HD21  LEU  48          3HD2      LEU  48  -7.403  -7.280   6.114
  411   HD22  LEU  48          1HD2      LEU  48  -6.428  -5.813   6.203
  412   HD23  LEU  48          2HD2      LEU  48  -5.679  -7.386   6.479
  413    H    ASP  49           H        ASP  49  -4.006 -10.137   2.646
  414    HA   ASP  49           HA       ASP  49  -5.469 -12.493   2.260
  415    HB2  ASP  49           2HB      ASP  49  -4.306 -11.327   0.460
  416    HB3  ASP  49           1HB      ASP  49  -2.752 -11.729   1.182
  417    H    ASN  50           H        ASN  50  -2.531 -11.894   4.048
  418    HA   ASN  50           HA       ASN  50  -1.802 -14.656   4.318
  419    HB2  ASN  50           2HB      ASN  50  -0.157 -12.808   4.413
  420    HB3  ASN  50           1HB      ASN  50  -0.912 -12.228   5.890
  421   HD21  ASN  50          1HD2      ASN  50   0.806 -12.447   7.194
  422   HD22  ASN  50          2HD2      ASN  50   1.500 -13.981   7.621
  423    H    HIS  51           H        HIS  51  -3.768 -12.390   6.080
  424    HA   HIS  51           HA       HIS  51  -3.923 -14.151   8.409
  425    HB2  HIS  51           2HB      HIS  51  -5.011 -11.375   7.905
  426    HB3  HIS  51           1HB      HIS  51  -5.316 -12.290   9.377
  427    HD1  HIS  51           1HD      HIS  51  -4.114 -10.508  10.807
  428    HD2  HIS  51           2HD      HIS  51  -1.688 -12.281   7.927
  429    HE1  HIS  51           1HE      HIS  51  -1.760  -9.831  11.383
  430    HE2  HIS  51           2HE      HIS  51  -0.340 -10.728   9.500
  431    H    ASP  52           H        ASP  52  -6.236 -12.393   6.350
  432    HA   ASP  52           HA       ASP  52  -8.301 -14.354   7.054
  433    HB2  ASP  52           2HB      ASP  52  -8.776 -11.915   7.387
  434    HB3  ASP  52           1HB      ASP  52  -8.598 -11.681   5.652
  435    H    LYS  53           H        LYS  53  -6.902 -15.765   5.572
  436    HA   LYS  53           HA       LYS  53  -7.241 -15.277   2.741
  437    HB2  LYS  53           2HB      LYS  53  -5.162 -16.276   3.538
  438    HB3  LYS  53           1HB      LYS  53  -6.051 -17.630   4.220
  439    HG2  LYS  53           2HG      LYS  53  -6.669 -18.410   2.050
  440    HG3  LYS  53           1HG      LYS  53  -6.024 -16.957   1.287
  441    HD2  LYS  53           2HD      LYS  53  -4.362 -18.940   2.839
  442    HD3  LYS  53           1HD      LYS  53  -4.553 -18.963   1.085
  443    HE2  LYS  53           2HE      LYS  53  -3.396 -16.715   2.724
  444    HE3  LYS  53           1HE      LYS  53  -2.486 -17.841   1.720
  445    HZ1  LYS  53           3HZ      LYS  53  -3.734 -16.988  -0.216
  446    HZ2  LYS  53           1HZ      LYS  53  -2.791 -15.797   0.538
  447    HZ3  LYS  53           2HZ      LYS  53  -4.462 -15.827   0.780
  448    H    GLN  54           H        GLN  54  -8.731 -17.184   5.242
  449    HA   GLN  54           HA       GLN  54 -10.191 -18.773   3.296
  450    HB2  GLN  54           2HB      GLN  54 -11.083 -19.993   5.214
  451    HB3  GLN  54           1HB      GLN  54  -9.330 -19.928   5.263
  452    HG2  GLN  54           2HG      GLN  54  -9.413 -18.190   6.946
  453    HG3  GLN  54           1HG      GLN  54 -11.174 -18.161   6.856
  454   HE21  GLN  54          1HE2      GLN  54 -11.447 -18.699   9.002
  455   HE22  GLN  54          2HE2      GLN  54 -11.103 -20.278   9.622
  456    H    LYS  55           H        LYS  55 -12.094 -18.230   2.539
  457    HA   LYS  55           HA       LYS  55 -13.739 -16.322   4.076
  458    HB2  LYS  55           2HB      LYS  55 -13.736 -16.992   1.127
  459    HB3  LYS  55           1HB      LYS  55 -14.927 -15.954   1.896
  460    HG2  LYS  55           2HG      LYS  55 -11.967 -15.407   1.884
  461    HG3  LYS  55           1HG      LYS  55 -13.108 -14.742   0.716
  462    HD2  LYS  55           2HD      LYS  55 -14.370 -13.757   2.650
  463    HD3  LYS  55           1HD      LYS  55 -13.041 -14.267   3.692
  464    HE2  LYS  55           2HE      LYS  55 -12.752 -12.445   1.306
  465    HE3  LYS  55           1HE      LYS  55 -12.892 -11.895   2.973
  466    HZ1  LYS  55           3HZ      LYS  55 -10.836 -12.897   3.527
  467    HZ2  LYS  55           1HZ      LYS  55 -10.581 -12.031   2.090
  468    HZ3  LYS  55           2HZ      LYS  55 -10.741 -13.716   2.039
  469    H    LYS  56           H        LYS  56 -13.353 -19.436   3.863
  470    HA   LYS  56           HA       LYS  56 -16.172 -20.177   3.578
  471    HB2  LYS  56           2HB      LYS  56 -13.715 -21.936   3.784
  472    HB3  LYS  56           1HB      LYS  56 -15.356 -22.493   3.498
  473    HG2  LYS  56           2HG      LYS  56 -15.402 -21.317   1.367
  474    HG3  LYS  56           1HG      LYS  56 -13.764 -20.726   1.652
  475    HD2  LYS  56           2HD      LYS  56 -14.578 -23.622   1.396
  476    HD3  LYS  56           1HD      LYS  56 -13.781 -22.663   0.148
  477    HE2  LYS  56           2HE      LYS  56 -11.869 -22.334   1.693
  478    HE3  LYS  56           1HE      LYS  56 -12.662 -23.407   2.848
  479    HZ1  LYS  56           3HZ      LYS  56 -12.559 -25.190   1.229
  480    HZ2  LYS  56           1HZ      LYS  56 -11.003 -24.572   1.510
  481    HZ3  LYS  56           2HZ      LYS  56 -11.836 -24.156   0.095
  482    H1   GLY   2           1HT      GLY   2  17.543  21.765   4.583
  483    H2   GLY   2           2HT      GLY   2  16.281  20.726   4.131
  484    H3   GLY   2           3HT      GLY   2  17.880  20.345   3.719
  485    HA2  GLY   2           1HA      GLY   2  18.450  20.103   6.056
  486    HA3  GLY   2           2HA      GLY   2  16.782  20.478   6.471
  487    H    ARG   3           H        ARG   3  17.100  18.338   7.569
  488    HA   ARG   3           HA       ARG   3  16.605  16.138   7.782
  489    HB2  ARG   3           2HB      ARG   3  15.144  16.541   5.167
  490    HB3  ARG   3           1HB      ARG   3  14.955  15.163   6.244
  491    HG2  ARG   3           2HG      ARG   3  14.119  16.654   7.996
  492    HG3  ARG   3           1HG      ARG   3  14.285  18.025   6.896
  493    HD2  ARG   3           2HD      ARG   3  12.480  15.630   6.551
  494    HD3  ARG   3           1HD      ARG   3  11.989  17.285   6.915
  495    HE   ARG   3           HE       ARG   3  13.488  17.190   4.505
  496   HH11  ARG   3          1HH1      ARG   3  10.273  16.523   5.791
  497   HH12  ARG   3          2HH1      ARG   3   9.512  16.674   4.236
  498   HH21  ARG   3          1HH2      ARG   3  12.466  17.386   2.504
  499   HH22  ARG   3          2HH2      ARG   3  10.744  17.154   2.379
  500    HA   PRO   4           HA       PRO   4  20.131  14.980   5.051
  501    HB2  PRO   4           2HB      PRO   4  21.055  13.662   7.510
  502    HB3  PRO   4           1HB      PRO   4  21.881  14.853   6.501
  503    HG2  PRO   4           2HG      PRO   4  20.959  15.471   8.946
  504    HG3  PRO   4           1HG      PRO   4  20.944  16.644   7.615
  505    HD2  PRO   4           2HD      PRO   4  18.703  14.965   8.690
  506    HD3  PRO   4           1HD      PRO   4  18.696  16.681   8.217
  507    H    TYR   5           H        TYR   5  20.752  12.917   4.286
  508    HA   TYR   5           HA       TYR   5  18.592  11.011   4.504
  509    HB2  TYR   5           2HB      TYR   5  19.671   9.881   2.621
  510    HB3  TYR   5           1HB      TYR   5  19.497  11.598   2.285
  511    HD1  TYR   5           1HD      TYR   5  21.523  13.084   2.483
  512    HD2  TYR   5           2HD      TYR   5  21.794   8.841   2.622
  513    HE1  TYR   5           1HE      TYR   5  23.923  13.228   1.987
  514    HE2  TYR   5           2HE      TYR   5  24.200   8.976   2.128
  515    HH   TYR   5           HH       TYR   5  25.956  11.862   2.345
  516    H    LYS   6           H        LYS   6  18.684   9.057   5.416
  517    HA   LYS   6           HA       LYS   6  19.342   7.357   6.745
  518    HB2  LYS   6           2HB      LYS   6  20.793   6.949   4.760
  519    HB3  LYS   6           1HB      LYS   6  22.075   7.847   5.559
  520    HG2  LYS   6           2HG      LYS   6  22.251   6.232   7.278
  521    HG3  LYS   6           1HG      LYS   6  20.791   5.403   6.736
  522    HD2  LYS   6           2HD      LYS   6  21.903   4.765   4.668
  523    HD3  LYS   6           1HD      LYS   6  23.355   5.640   5.164
  524    HE2  LYS   6           2HE      LYS   6  22.144   3.339   6.690
  525    HE3  LYS   6           1HE      LYS   6  23.468   3.179   5.537
  526    HZ1  LYS   6           3HZ      LYS   6  24.903   4.370   6.907
  527    HZ2  LYS   6           1HZ      LYS   6  24.051   3.384   7.993
  528    HZ3  LYS   6           2HZ      LYS   6  23.649   5.024   7.842
  529    H    LEU   7           H        LEU   7  19.502  10.116   7.769
  530    HA   LEU   7           HA       LEU   7  21.530   9.849   9.844
  531    HB2  LEU   7           2HB      LEU   7  21.098  12.077   8.896
  532    HB3  LEU   7           1HB      LEU   7  19.422  11.977   9.407
  533    HG   LEU   7           HG       LEU   7  20.206  11.873  11.774
  534   HD11  LEU   7          1HD1      LEU   7  22.443  11.014  11.405
  535   HD12  LEU   7          2HD1      LEU   7  22.509  12.550  12.268
  536   HD13  LEU   7          3HD1      LEU   7  22.890  12.490  10.546
  537   HD21  LEU   7          3HD2      LEU   7  20.783  14.248  11.932
  538   HD22  LEU   7          1HD2      LEU   7  19.446  13.967  10.816
  539   HD23  LEU   7          2HD2      LEU   7  21.064  14.289  10.191
  540    H    LEU   8           H        LEU   8  18.022  10.369   9.714
  541    HA   LEU   8           HA       LEU   8  17.724   9.308  12.401
  542    HB2  LEU   8           2HB      LEU   8  16.573  11.394  11.584
  543    HB3  LEU   8           1HB      LEU   8  15.621  10.383  10.517
  544    HG   LEU   8           HG       LEU   8  14.689   9.220  12.504
  545   HD11  LEU   8          1HD1      LEU   8  16.168  11.354  14.034
  546   HD12  LEU   8          2HD1      LEU   8  16.526   9.627  14.052
  547   HD13  LEU   8          3HD1      LEU   8  14.999  10.218  14.709
  548   HD21  LEU   8          3HD2      LEU   8  13.215  11.031  13.176
  549   HD22  LEU   8          1HD2      LEU   8  13.511  11.088  11.439
  550   HD23  LEU   8          2HD2      LEU   8  14.341  12.217  12.511
  551    H    ASN   9           H        ASN   9  18.143   7.957   9.577
  552    HA   ASN   9           HA       ASN   9  17.536   6.116   8.415
  553    HB2  ASN   9           2HB      ASN   9  17.274   5.204  11.265
  554    HB3  ASN   9           1HB      ASN   9  16.994   4.101   9.920
  555   HD21  ASN   9          1HD2      ASN   9  18.721   2.795  10.193
  556   HD22  ASN   9          2HD2      ASN   9  20.363   3.323  10.038
  557    H    GLY  10           H        GLY  10  15.557   7.791   8.116
  558    HA2  GLY  10           2HA      GLY  10  13.311   6.039   7.767
  559    HA3  GLY  10           1HA      GLY  10  13.024   7.301   8.961
  560    H    ILE  11           H        ILE  11  11.985   6.734   6.165
  561    HA   ILE  11           HA       ILE  11  12.345   9.489   5.200
  562    HB   ILE  11           HB       ILE  11  12.097   7.046   3.414
  563   HG12  ILE  11          2HG1      ILE  11  14.384   7.982   2.588
  564   HG13  ILE  11          1HG1      ILE  11  14.433   8.795   4.150
  565   HG21  ILE  11          1HG2      ILE  11  10.962   8.978   2.471
  566   HG22  ILE  11          2HG2      ILE  11  12.431   8.626   1.561
  567   HG23  ILE  11          3HG2      ILE  11  12.405   9.963   2.711
  568   HD11  ILE  11          3HD1      ILE  11  14.243   5.823   3.691
  569   HD12  ILE  11          1HD1      ILE  11  14.258   6.615   5.266
  570   HD13  ILE  11          2HD1      ILE  11  15.672   6.711   4.215
  571    H    LYS  12           H        LYS  12  10.465  10.361   4.132
  572    HA   LYS  12           HA       LYS  12   8.026   9.201   5.277
  573    HB2  LYS  12           2HB      LYS  12   8.958  11.662   5.644
  574    HB3  LYS  12           1HB      LYS  12   8.130  11.953   4.123
  575    HG2  LYS  12           2HG      LYS  12   6.684  12.541   5.942
  576    HG3  LYS  12           1HG      LYS  12   6.043  11.106   5.138
  577    HD2  LYS  12           2HD      LYS  12   6.823   9.681   6.869
  578    HD3  LYS  12           1HD      LYS  12   7.791  10.970   7.583
  579    HE2  LYS  12           2HE      LYS  12   5.809  10.613   8.908
  580    HE3  LYS  12           1HE      LYS  12   5.725  12.189   8.127
  581    HZ1  LYS  12           3HZ      LYS  12   4.355   9.737   7.177
  582    HZ2  LYS  12           1HZ      LYS  12   4.237  11.277   6.478
  583    HZ3  LYS  12           2HZ      LYS  12   3.620  10.994   8.035
  584    H    LEU  13           H        LEU  13   6.356   8.611   4.026
  585    HA   LEU  13           HA       LEU  13   6.526   9.104   1.138
  586    HB2  LEU  13           2HB      LEU  13   5.716   6.702   0.854
  587    HB3  LEU  13           1HB      LEU  13   7.407   6.946   1.245
  588    HG   LEU  13           HG       LEU  13   5.473   6.397   3.468
  589   HD11  LEU  13          1HD1      LEU  13   4.988   4.706   1.752
  590   HD12  LEU  13          2HD1      LEU  13   5.774   4.005   3.166
  591   HD13  LEU  13          3HD1      LEU  13   6.701   4.288   1.693
  592   HD21  LEU  13          3HD2      LEU  13   8.363   5.664   2.979
  593   HD22  LEU  13          1HD2      LEU  13   7.444   5.326   4.445
  594   HD23  LEU  13          2HD2      LEU  13   7.795   6.994   3.991
  595    H    GLY  14           H        GLY  14   4.636   9.390   0.093
  596    HA2  GLY  14           2HA      GLY  14   2.251   9.554   1.799
  597    HA3  GLY  14           1HA      GLY  14   2.508  10.437   0.299
  598    H    VAL  15           H        VAL  15   0.855   7.948   1.662
  599    HA   VAL  15           HA       VAL  15   0.706   6.379  -0.826
  600    HB   VAL  15           HB       VAL  15  -0.215   5.553   1.941
  601   HG11  VAL  15          1HG1      VAL  15   0.217   3.947  -0.571
  602   HG12  VAL  15          2HG1      VAL  15  -1.333   4.329   0.179
  603   HG13  VAL  15          3HG1      VAL  15  -0.187   3.277   1.012
  604   HG21  VAL  15          3HG2      VAL  15   1.814   4.172   2.042
  605   HG22  VAL  15          1HG2      VAL  15   2.180   5.897   1.983
  606   HG23  VAL  15          2HG2      VAL  15   2.371   4.905   0.538
  607    H    TYR  16           H        TYR  16  -1.474   5.595  -1.445
  608    HA   TYR  16           HA       TYR  16  -3.686   7.173  -0.319
  609    HB2  TYR  16           2HB      TYR  16  -2.786   7.051  -3.113
  610    HB3  TYR  16           1HB      TYR  16  -4.513   6.803  -2.892
  611    HD1  TYR  16           2HD      TYR  16  -1.752   9.194  -2.537
  612    HD2  TYR  16           1HD      TYR  16  -5.923   8.546  -2.055
  613    HE1  TYR  16           2HE      TYR  16  -2.093  11.613  -2.273
  614    HE2  TYR  16           1HE      TYR  16  -6.284  10.952  -1.778
  615    HH   TYR  16           HH       TYR  16  -3.667  13.273  -2.256
  616    H    ILE  17           H        ILE  17  -5.438   6.032   0.212
  617    HA   ILE  17           HA       ILE  17  -5.761   3.335  -0.881
  618    HB   ILE  17           HB       ILE  17  -6.093   2.335   1.323
  619   HG12  ILE  17          2HG1      ILE  17  -5.160   4.979   2.453
  620   HG13  ILE  17          1HG1      ILE  17  -6.811   4.369   2.531
  621   HG21  ILE  17          1HG2      ILE  17  -3.441   3.746   1.081
  622   HG22  ILE  17          2HG2      ILE  17  -3.880   2.214   0.327
  623   HG23  ILE  17          3HG2      ILE  17  -3.766   2.332   2.083
  624   HD11  ILE  17          3HD1      ILE  17  -5.652   4.006   4.631
  625   HD12  ILE  17          1HD1      ILE  17  -4.391   3.097   3.796
  626   HD13  ILE  17          2HD1      ILE  17  -6.036   2.467   3.860
  627    HA   PRO  18           HA       PRO  18 -10.012   4.445  -1.238
  628    HB2  PRO  18           2HB      PRO  18 -10.522   1.568  -0.709
  629    HB3  PRO  18           1HB      PRO  18 -11.009   2.566  -2.085
  630    HG2  PRO  18           2HG      PRO  18  -9.048   0.797  -2.337
  631    HG3  PRO  18           1HG      PRO  18  -8.936   2.390  -3.111
  632    HD2  PRO  18           2HD      PRO  18  -7.619   1.402  -0.608
  633    HD3  PRO  18           1HD      PRO  18  -6.953   2.412  -1.911
  634    H    GLN  19           H        GLN  19 -12.086   4.331  -0.137
  635    HA   GLN  19           HA       GLN  19 -11.619   4.790   2.674
  636    HB2  GLN  19           2HB      GLN  19 -13.547   6.057   2.667
  637    HB3  GLN  19           1HB      GLN  19 -13.047   6.203   0.993
  638    HG2  GLN  19           2HG      GLN  19 -15.142   5.642   0.508
  639    HG3  GLN  19           1HG      GLN  19 -14.642   3.996   0.901
  640   HE21  GLN  19          1HE2      GLN  19 -14.400   4.622   3.786
  641   HE22  GLN  19          2HE2      GLN  19 -16.017   4.714   4.375
  642    H    GLU  20           H        GLU  20 -13.372   2.485   0.678
  643    HA   GLU  20           HA       GLU  20 -14.819   1.141   2.674
  644    HB2  GLU  20           2HB      GLU  20 -13.498  -0.366   0.434
  645    HB3  GLU  20           1HB      GLU  20 -15.095  -0.598   1.129
  646    HG2  GLU  20           2HG      GLU  20 -15.633   0.323  -0.890
  647    HG3  GLU  20           1HG      GLU  20 -15.559   1.765   0.120
  648    H    TRP  21           H        TRP  21 -11.532   1.014   1.676
  649    HA   TRP  21           HA       TRP  21 -10.785  -1.283   3.224
  650    HB2  TRP  21           2HB      TRP  21  -9.769  -0.544   1.037
  651    HB3  TRP  21           1HB      TRP  21  -9.074   0.828   1.886
  652    HD1  TRP  21           HD       TRP  21  -8.911  -2.369   3.851
  653    HE1  TRP  21           1HE      TRP  21  -6.494  -3.258   3.816
  654    HE3  TRP  21           3HE      TRP  21  -6.987   0.678   0.246
  655    HZ2  TRP  21           2HZ      TRP  21  -4.086  -2.730   2.425
  656    HZ3  TRP  21           3HZ      TRP  21  -4.630   0.425  -0.386
  657    HH2  TRP  21           HH       TRP  21  -3.196  -1.236   0.682
  658    H    HIS  22           H        HIS  22 -10.867   2.182   3.542
  659    HA   HIS  22           HA       HIS  22  -9.462   2.434   5.979
  660    HB2  HIS  22           2HB      HIS  22 -11.489   4.063   4.532
  661    HB3  HIS  22           1HB      HIS  22 -11.275   4.382   6.250
  662    HD1  HIS  22           1HD      HIS  22  -9.566   6.037   6.793
  663    HD2  HIS  22           2HD      HIS  22  -8.891   4.271   3.088
  664    HE1  HIS  22           1HE      HIS  22  -7.591   7.248   5.814
  665    HE2  HIS  22           2HE      HIS  22  -7.312   6.273   3.512
  666    H    ASP  23           H        ASP  23 -12.884   1.773   5.244
  667    HA   ASP  23           HA       ASP  23 -13.965   1.904   7.780
  668    HB2  ASP  23           2HB      ASP  23 -14.609  -0.066   5.576
  669    HB3  ASP  23           1HB      ASP  23 -15.571   0.109   7.035
  670    H    ARG  24           H        ARG  24 -12.629  -0.995   6.199
  671    HA   ARG  24           HA       ARG  24 -13.006  -2.557   8.572
  672    HB2  ARG  24           2HB      ARG  24 -11.670  -3.103   5.936
  673    HB3  ARG  24           1HB      ARG  24 -11.595  -4.260   7.258
  674    HG2  ARG  24           2HG      ARG  24 -13.377  -4.892   5.804
  675    HG3  ARG  24           1HG      ARG  24 -14.080  -4.288   7.304
  676    HD2  ARG  24           2HD      ARG  24 -14.331  -2.063   6.146
  677    HD3  ARG  24           1HD      ARG  24 -13.898  -2.885   4.648
  678    HE   ARG  24           HE       ARG  24 -16.022  -4.242   5.931
  679   HH11  ARG  24          1HH1      ARG  24 -15.316  -1.357   4.073
  680   HH12  ARG  24          2HH1      ARG  24 -16.943  -1.176   3.487
  681   HH21  ARG  24          1HH2      ARG  24 -18.169  -4.010   5.167
  682   HH22  ARG  24          2HH2      ARG  24 -18.558  -2.684   4.109
  683    H    LEU  25           H        LEU  25 -10.072  -1.333   6.934
  684    HA   LEU  25           HA       LEU  25  -8.326  -2.517   8.824
  685    HB2  LEU  25           2HB      LEU  25  -8.064  -0.745   6.507
  686    HB3  LEU  25           1HB      LEU  25  -6.821  -0.535   7.728
  687    HG   LEU  25           HG       LEU  25  -6.164  -2.135   5.958
  688   HD11  LEU  25          1HD1      LEU  25  -6.549  -3.392   8.672
  689   HD12  LEU  25          2HD1      LEU  25  -5.211  -2.346   8.198
  690   HD13  LEU  25          3HD1      LEU  25  -5.408  -3.924   7.437
  691   HD21  LEU  25          3HD2      LEU  25  -8.384  -3.036   5.457
  692   HD22  LEU  25          1HD2      LEU  25  -8.429  -3.808   7.043
  693   HD23  LEU  25          2HD2      LEU  25  -7.242  -4.322   5.844
  694    H    MET  26           H        MET  26  -9.578   0.807   8.524
  695    HA   MET  26           HA       MET  26  -7.982   1.771  10.657
  696    HB2  MET  26           2HB      MET  26 -10.462   2.882   9.370
  697    HB3  MET  26           1HB      MET  26  -9.613   3.702  10.673
  698    HG2  MET  26           2HG      MET  26  -8.268   2.879   8.123
  699    HG3  MET  26           1HG      MET  26  -9.055   4.444   8.336
  700    HE1  MET  26           3HE      MET  26  -8.254   6.280  10.090
  701    HE2  MET  26           1HE      MET  26  -6.941   6.021  11.238
  702    HE3  MET  26           2HE      MET  26  -8.433   5.091  11.380
  703    H    GLU  27           H        GLU  27 -11.094   0.152  10.590
  704    HA   GLU  27           HA       GLU  27 -11.749   0.679  13.289
  705    HB2  GLU  27           2HB      GLU  27 -13.380  -0.303  11.776
  706    HB3  GLU  27           1HB      GLU  27 -12.370  -1.730  11.573
  707    HG2  GLU  27           2HG      GLU  27 -12.692  -2.346  13.875
  708    HG3  GLU  27           1HG      GLU  27 -13.583  -0.858  14.183
  709    H    ILE  28           H        ILE  28  -9.766  -1.774  11.727
  710    HA   ILE  28           HA       ILE  28  -9.043  -3.203  14.067
  711    HB   ILE  28           HB       ILE  28  -7.550  -2.858  11.456
  712   HG12  ILE  28          2HG1      ILE  28  -9.311  -5.114  12.440
  713   HG13  ILE  28          1HG1      ILE  28  -9.792  -3.895  11.264
  714   HG21  ILE  28          1HG2      ILE  28  -6.288  -4.853  12.088
  715   HG22  ILE  28          2HG2      ILE  28  -7.110  -4.882  13.649
  716   HG23  ILE  28          3HG2      ILE  28  -6.035  -3.544  13.243
  717   HD11  ILE  28          3HD1      ILE  28  -9.192  -5.981  10.180
  718   HD12  ILE  28          1HD1      ILE  28  -7.590  -5.916  10.913
  719   HD13  ILE  28          2HD1      ILE  28  -8.069  -4.696   9.733
  720    H    ALA  29           H        ALA  29  -7.758  -0.400  12.411
  721    HA   ALA  29           HA       ALA  29  -5.390  -0.041  13.872
  722    HB1  ALA  29           1HB      ALA  29  -5.900   1.089  11.746
  723    HB2  ALA  29           2HB      ALA  29  -5.390   2.216  13.002
  724    HB3  ALA  29           3HB      ALA  29  -7.097   2.084  12.578
  725    H    LYS  30           H        LYS  30  -8.708   0.715  14.650
  726    HA   LYS  30           HA       LYS  30  -8.032   2.492  16.811
  727    HB2  LYS  30           2HB      LYS  30 -10.611   1.081  16.095
  728    HB3  LYS  30           1HB      LYS  30 -10.453   2.243  17.410
  729    HG2  LYS  30           2HG      LYS  30  -9.849   3.981  15.835
  730    HG3  LYS  30           1HG      LYS  30  -9.932   2.824  14.505
  731    HD2  LYS  30           2HD      LYS  30 -12.292   2.520  14.855
  732    HD3  LYS  30           1HD      LYS  30 -12.248   3.533  16.300
  733    HE2  LYS  30           2HE      LYS  30 -13.122   4.743  14.346
  734    HE3  LYS  30           1HE      LYS  30 -11.639   5.460  14.973
  735    HZ1  LYS  30           3HZ      LYS  30 -11.586   5.353  12.575
  736    HZ2  LYS  30           1HZ      LYS  30 -11.854   3.677  12.605
  737    HZ3  LYS  30           2HZ      LYS  30 -10.408   4.319  13.219
  738    H    GLU  31           H        GLU  31  -9.053  -0.840  16.473
  739    HA   GLU  31           HA       GLU  31  -9.241  -1.472  19.201
  740    HB2  GLU  31           2HB      GLU  31 -10.208  -2.783  17.324
  741    HB3  GLU  31           1HB      GLU  31  -8.589  -3.306  16.892
  742    HG2  GLU  31           2HG      GLU  31  -8.371  -4.424  19.051
  743    HG3  GLU  31           1HG      GLU  31  -9.999  -3.898  19.483
  744    H    LYS  32           H        LYS  32  -6.538  -1.595  16.932
  745    HA   LYS  32           HA       LYS  32  -4.833  -2.827  18.957
  746    HB2  LYS  32           2HB      LYS  32  -4.541  -2.406  15.998
  747    HB3  LYS  32           1HB      LYS  32  -3.181  -2.899  16.998
  748    HG2  LYS  32           2HG      LYS  32  -4.293  -4.915  17.638
  749    HG3  LYS  32           1HG      LYS  32  -5.787  -4.391  16.861
  750    HD2  LYS  32           2HD      LYS  32  -4.845  -4.608  14.697
  751    HD3  LYS  32           1HD      LYS  32  -3.216  -4.781  15.351
  752    HE2  LYS  32           2HE      LYS  32  -4.238  -6.913  14.559
  753    HE3  LYS  32           1HE      LYS  32  -3.720  -6.933  16.242
  754    HZ1  LYS  32           3HZ      LYS  32  -5.864  -7.975  16.007
  755    HZ2  LYS  32           1HZ      LYS  32  -6.516  -6.586  15.282
  756    HZ3  LYS  32           2HZ      LYS  32  -6.024  -6.548  16.904
  757    H    ASN  33           H        ASN  33  -5.631   0.247  18.126
  758    HA   ASN  33           HA       ASN  33  -4.778   2.303  18.555
  759    HB2  ASN  33           2HB      ASN  33  -2.832   0.695  20.212
  760    HB3  ASN  33           1HB      ASN  33  -2.776   2.450  20.121
  761   HD21  ASN  33          1HD2      ASN  33  -3.226   2.785  22.232
  762   HD22  ASN  33          2HD2      ASN  33  -4.757   2.435  22.959
  763    H    LEU  34           H        LEU  34  -4.225   1.424  16.138
  764    HA   LEU  34           HA       LEU  34  -1.467   2.330  15.622
  765    HB2  LEU  34           2HB      LEU  34  -3.059   0.289  14.051
  766    HB3  LEU  34           1HB      LEU  34  -1.446   0.859  13.653
  767    HG   LEU  34           HG       LEU  34  -2.146  -0.683  16.157
  768   HD11  LEU  34          1HD1      LEU  34  -0.815  -1.614  13.615
  769   HD12  LEU  34          2HD1      LEU  34  -2.432  -2.058  14.159
  770   HD13  LEU  34          3HD1      LEU  34  -1.022  -2.566  15.086
  771   HD21  LEU  34          3HD2      LEU  34   0.254  -0.886  16.428
  772   HD22  LEU  34          1HD2      LEU  34  -0.208   0.814  16.364
  773   HD23  LEU  34          2HD2      LEU  34   0.521   0.045  14.954
  774    H    THR  35           H        THR  35  -1.270   3.344  13.408
  775    HA   THR  35           HA       THR  35  -3.826   4.561  12.586
  776    HB   THR  35           HB       THR  35  -2.518   6.337  11.508
  777    HG1  THR  35           1HG      THR  35  -0.220   5.147  12.737
  778   HG21  THR  35          3HG2      THR  35  -3.249   6.709  13.795
  779   HG22  THR  35          1HG2      THR  35  -1.667   7.447  13.542
  780   HG23  THR  35          2HG2      THR  35  -1.801   5.916  14.413
  781    H    LEU  36           H        LEU  36  -4.059   4.905  10.212
  782    HA   LEU  36           HA       LEU  36  -3.677   2.585   8.740
  783    HB2  LEU  36           2HB      LEU  36  -4.349   3.825   6.798
  784    HB3  LEU  36           1HB      LEU  36  -5.309   4.331   8.168
  785    HG   LEU  36           HG       LEU  36  -2.954   5.906   7.121
  786   HD11  LEU  36          1HD1      LEU  36  -5.893   6.273   6.562
  787   HD12  LEU  36          2HD1      LEU  36  -4.688   5.696   5.409
  788   HD13  LEU  36          3HD1      LEU  36  -4.592   7.342   6.035
  789   HD21  LEU  36          3HD2      LEU  36  -5.214   6.624   8.991
  790   HD22  LEU  36          1HD2      LEU  36  -4.018   7.756   8.360
  791   HD23  LEU  36          2HD2      LEU  36  -3.512   6.441   9.418
  792    H    SER  37           H        SER  37  -1.677   5.468   8.948
  793    HA   SER  37           HA       SER  37   0.280   4.873   7.072
  794    HB2  SER  37           2HB      SER  37   0.825   6.125   9.768
  795    HB3  SER  37           1HB      SER  37   1.650   6.438   8.241
  796    HG   SER  37           HG       SER  37   0.277   8.031   8.101
  797    H    ASP  38           H        ASP  38   0.059   3.936  10.494
  798    HA   ASP  38           HA       ASP  38   2.508   2.532  10.595
  799    HB2  ASP  38           2HB      ASP  38   0.024   2.231  12.297
  800    HB3  ASP  38           1HB      ASP  38   1.560   1.449  12.643
  801    H    VAL  39           H        VAL  39  -0.810   1.515   9.939
  802    HA   VAL  39           HA       VAL  39  -0.316  -1.257   9.964
  803    HB   VAL  39           HB       VAL  39  -2.487   0.249   8.490
  804   HG11  VAL  39          1HG1      VAL  39  -2.250  -1.998   7.612
  805   HG12  VAL  39          2HG1      VAL  39  -3.720  -1.882   8.578
  806   HG13  VAL  39          3HG1      VAL  39  -2.287  -2.667   9.242
  807   HG21  VAL  39          3HG2      VAL  39  -2.491  -1.043  11.219
  808   HG22  VAL  39          1HG2      VAL  39  -3.878  -0.292  10.430
  809   HG23  VAL  39          2HG2      VAL  39  -2.488   0.690  10.893
  810    H    CYS  40           H        CYS  40  -0.179   1.114   7.335
  811    HA   CYS  40           HA       CYS  40   0.148  -0.748   5.241
  812    HB2  CYS  40           2HB      CYS  40  -0.251   1.914   5.317
  813    HB3  CYS  40           1HB      CYS  40   1.484   1.913   5.019
  814    HG   CYS  40           HG       CYS  40   0.276  -0.198   2.921
  815    H    ARG  41           H        ARG  41   2.571   1.263   6.861
  816    HA   ARG  41           HA       ARG  41   4.921   0.109   6.170
  817    HB2  ARG  41           2HB      ARG  41   4.805   2.051   7.576
  818    HB3  ARG  41           1HB      ARG  41   4.002   1.154   8.852
  819    HG2  ARG  41           2HG      ARG  41   6.717   0.276   8.038
  820    HG3  ARG  41           1HG      ARG  41   6.564   1.777   8.954
  821    HD2  ARG  41           2HD      ARG  41   5.143   0.434  10.587
  822    HD3  ARG  41           1HD      ARG  41   5.745  -1.001   9.754
  823    HE   ARG  41           HE       ARG  41   7.571   0.962  10.992
  824   HH11  ARG  41          1HH1      ARG  41   6.464  -2.324  10.540
  825   HH12  ARG  41          2HH1      ARG  41   7.710  -3.028  11.523
  826   HH21  ARG  41          1HH2      ARG  41   9.235   0.057  12.276
  827   HH22  ARG  41          2HH2      ARG  41   9.313  -1.675  12.482
  828    H    LEU  42           H        LEU  42   2.828  -1.043   8.840
  829    HA   LEU  42           HA       LEU  42   4.557  -3.135   9.643
  830    HB2  LEU  42           2HB      LEU  42   1.571  -2.843   9.994
  831    HB3  LEU  42           1HB      LEU  42   2.550  -4.052  10.800
  832    HG   LEU  42           HG       LEU  42   2.867  -1.072  11.144
  833   HD11  LEU  42          1HD1      LEU  42   0.755  -1.878  12.066
  834   HD12  LEU  42          2HD1      LEU  42   1.877  -1.413  13.343
  835   HD13  LEU  42          3HD1      LEU  42   1.620  -3.119  12.975
  836   HD21  LEU  42          3HD2      LEU  42   4.945  -2.285  11.495
  837   HD22  LEU  42          1HD2      LEU  42   4.129  -3.392  12.602
  838   HD23  LEU  42          2HD2      LEU  42   4.306  -1.689  13.028
  839    H    ALA  43           H        ALA  43   2.149  -2.869   7.177
  840    HA   ALA  43           HA       ALA  43   1.815  -5.643   6.696
  841    HB1  ALA  43           1HB      ALA  43   1.311  -3.294   4.880
  842    HB2  ALA  43           2HB      ALA  43   0.158  -3.999   6.013
  843    HB3  ALA  43           3HB      ALA  43   0.725  -4.940   4.633
  844    H    ILE  44           H        ILE  44   4.074  -3.205   5.500
  845    HA   ILE  44           HA       ILE  44   5.167  -4.793   3.412
  846    HB   ILE  44           HB       ILE  44   6.514  -2.592   4.995
  847   HG12  ILE  44          2HG1      ILE  44   5.055  -2.574   2.349
  848   HG13  ILE  44          1HG1      ILE  44   4.610  -1.710   3.818
  849   HG21  ILE  44          1HG2      ILE  44   8.176  -4.003   3.966
  850   HG22  ILE  44          2HG2      ILE  44   8.080  -2.480   3.082
  851   HG23  ILE  44          3HG2      ILE  44   7.328  -3.933   2.420
  852   HD11  ILE  44          3HD1      ILE  44   6.595  -0.316   3.624
  853   HD12  ILE  44          1HD1      ILE  44   5.594  -0.210   2.175
  854   HD13  ILE  44          2HD1      ILE  44   7.067  -1.180   2.160
  855    H    LYS  45           H        LYS  45   5.847  -4.393   6.819
  856    HA   LYS  45           HA       LYS  45   8.192  -5.860   7.020
  857    HB2  LYS  45           2HB      LYS  45   7.239  -4.495   8.839
  858    HB3  LYS  45           1HB      LYS  45   5.939  -5.663   9.028
  859    HG2  LYS  45           2HG      LYS  45   7.635  -5.947  10.741
  860    HG3  LYS  45           1HG      LYS  45   7.542  -7.364   9.695
  861    HD2  LYS  45           2HD      LYS  45   9.532  -6.757   8.551
  862    HD3  LYS  45           1HD      LYS  45   9.548  -5.155   9.290
  863    HE2  LYS  45           2HE      LYS  45  11.189  -6.733  10.279
  864    HE3  LYS  45           1HE      LYS  45  10.037  -6.082  11.442
  865    HZ1  LYS  45           3HZ      LYS  45   9.902  -8.770  10.175
  866    HZ2  LYS  45           1HZ      LYS  45   8.768  -8.142  11.268
  867    HZ3  LYS  45           2HZ      LYS  45  10.357  -8.438  11.775
  868    H    GLU  46           H        GLU  46   4.813  -6.980   7.256
  869    HA   GLU  46           HA       GLU  46   5.563  -9.726   7.547
  870    HB2  GLU  46           2HB      GLU  46   3.379  -8.747   8.343
  871    HB3  GLU  46           1HB      GLU  46   2.885  -8.653   6.655
  872    HG2  GLU  46           2HG      GLU  46   3.087 -11.055   6.434
  873    HG3  GLU  46           1HG      GLU  46   3.657 -11.178   8.097
  874    H    TYR  47           H        TYR  47   4.762  -7.590   4.903
  875    HA   TYR  47           HA       TYR  47   4.339  -9.452   2.876
  876    HB2  TYR  47           2HB      TYR  47   3.876  -7.050   2.636
  877    HB3  TYR  47           1HB      TYR  47   5.597  -6.702   2.698
  878    HD1  TYR  47           2HD      TYR  47   2.862  -8.018   0.652
  879    HD2  TYR  47           1HD      TYR  47   7.015  -7.106   0.767
  880    HE1  TYR  47           2HE      TYR  47   2.966  -8.207  -1.797
  881    HE2  TYR  47           1HE      TYR  47   7.129  -7.284  -1.681
  882    HH   TYR  47           HH       TYR  47   4.390  -7.368  -3.647
  883    H    LEU  48           H        LEU  48   7.327  -7.923   4.013
  884    HA   LEU  48           HA       LEU  48   9.073  -9.244   2.240
  885    HB2  LEU  48           2HB      LEU  48   9.647  -8.289   5.046
  886    HB3  LEU  48           1HB      LEU  48  10.843  -8.643   3.813
  887    HG   LEU  48           HG       LEU  48   8.830  -6.391   3.746
  888   HD11  LEU  48          1HD1      LEU  48  11.824  -6.375   4.099
  889   HD12  LEU  48          2HD1      LEU  48  10.624  -6.015   5.340
  890   HD13  LEU  48          3HD1      LEU  48  10.794  -4.951   3.945
  891   HD21  LEU  48          3HD2      LEU  48  10.979  -7.150   1.770
  892   HD22  LEU  48          1HD2      LEU  48  10.040  -5.658   1.735
  893   HD23  LEU  48          2HD2      LEU  48   9.237  -7.211   1.505
  894    H    ASP  49           H        ASP  49   7.840 -10.041   5.421
  895    HA   ASP  49           HA       ASP  49   9.397 -12.315   5.923
  896    HB2  ASP  49           2HB      ASP  49   8.253 -11.299   7.727
  897    HB3  ASP  49           1HB      ASP  49   6.700 -11.422   6.907
  898    H    ASN  50           H        ASN  50   6.295 -11.969   4.202
  899    HA   ASN  50           HA       ASN  50   5.841 -14.776   3.996
  900    HB2  ASN  50           2HB      ASN  50   4.779 -12.514   2.297
  901    HB3  ASN  50           1HB      ASN  50   4.124 -14.146   2.368
  902   HD21  ASN  50          1HD2      ASN  50   3.297 -11.289   3.152
  903   HD22  ASN  50          2HD2      ASN  50   2.575 -11.507   4.705
  904    H    HIS  51           H        HIS  51   7.608 -12.455   2.071
  905    HA   HIS  51           HA       HIS  51   7.800 -14.317  -0.167
  906    HB2  HIS  51           2HB      HIS  51   8.753 -11.471   0.190
  907    HB3  HIS  51           1HB      HIS  51   9.119 -12.432  -1.240
  908    HD1  HIS  51           1HD      HIS  51   7.639 -11.689  -3.084
  909    HD2  HIS  51           2HD      HIS  51   5.652 -11.766   0.573
  910    HE1  HIS  51           1HE      HIS  51   5.258 -11.032  -3.583
  911    HE2  HIS  51           2HE      HIS  51   4.047 -11.192  -1.371
  912    H    ASP  52           H        ASP  52   9.776 -12.959   2.377
  913    HA   ASP  52           HA       ASP  52  11.789 -15.010   1.830
  914    HB2  ASP  52           2HB      ASP  52  12.580 -12.863   0.816
  915    HB3  ASP  52           1HB      ASP  52  12.500 -12.123   2.414
  916    H    LYS  53           H        LYS  53  10.787 -16.051   3.595
  917    HA   LYS  53           HA       LYS  53  10.756 -14.756   6.182
  918    HB2  LYS  53           2HB      LYS  53   8.932 -16.268   5.505
  919    HB3  LYS  53           1HB      LYS  53  10.079 -17.593   5.380
  920    HG2  LYS  53           2HG      LYS  53  10.529 -17.426   7.781
  921    HG3  LYS  53           1HG      LYS  53   9.363 -16.106   7.899
  922    HD2  LYS  53           2HD      LYS  53   8.720 -18.900   6.959
  923    HD3  LYS  53           1HD      LYS  53   8.427 -18.289   8.589
  924    HE2  LYS  53           2HE      LYS  53   7.243 -17.159   6.055
  925    HE3  LYS  53           1HE      LYS  53   6.405 -18.220   7.186
  926    HZ1  LYS  53           3HZ      LYS  53   7.461 -15.508   7.799
  927    HZ2  LYS  53           1HZ      LYS  53   6.687 -16.533   8.906
  928    HZ3  LYS  53           2HZ      LYS  53   5.834 -15.919   7.577
  929    H    GLN  54           H        GLN  54  12.582 -17.213   4.487
  930    HA   GLN  54           HA       GLN  54  14.045 -17.909   6.899
  931    HB2  GLN  54           2HB      GLN  54  14.985 -19.731   5.542
  932    HB3  GLN  54           1HB      GLN  54  13.227 -19.734   5.522
  933    HG2  GLN  54           2HG      GLN  54  13.359 -18.510   3.336
  934    HG3  GLN  54           1HG      GLN  54  15.090 -18.835   3.352
  935   HE21  GLN  54          1HE2      GLN  54  15.087 -20.120   1.570
  936   HE22  GLN  54          2HE2      GLN  54  14.346 -21.689   1.526
  937    H    LYS  55           H        LYS  55  16.112 -17.440   7.279
  938    HA   LYS  55           HA       LYS  55  17.618 -15.994   5.203
  939    HB2  LYS  55           2HB      LYS  55  17.884 -15.928   8.219
  940    HB3  LYS  55           1HB      LYS  55  19.009 -15.146   7.113
  941    HG2  LYS  55           2HG      LYS  55  16.065 -14.532   7.282
  942    HG3  LYS  55           1HG      LYS  55  17.340 -13.601   8.071
  943    HD2  LYS  55           2HD      LYS  55  18.322 -13.087   5.898
  944    HD3  LYS  55           1HD      LYS  55  17.083 -14.055   5.096
  945    HE2  LYS  55           2HE      LYS  55  16.526 -11.627   6.798
  946    HE3  LYS  55           1HE      LYS  55  16.647 -11.606   5.041
  947    HZ1  LYS  55           3HZ      LYS  55  14.694 -13.247   6.554
  948    HZ2  LYS  55           1HZ      LYS  55  14.762 -13.046   4.870
  949    HZ3  LYS  55           2HZ      LYS  55  14.342 -11.739   5.871
  950    H    LYS  56           H        LYS  56  17.515 -18.582   4.811
  951    HA   LYS  56           HA       LYS  56  20.123 -19.609   5.626
  952    HB2  LYS  56           2HB      LYS  56  17.522 -21.140   5.876
  953    HB3  LYS  56           1HB      LYS  56  19.122 -21.842   6.070
  954    HG2  LYS  56           2HG      LYS  56  19.538 -20.483   8.014
  955    HG3  LYS  56           1HG      LYS  56  18.014 -19.628   7.783
  956    HD2  LYS  56           2HD      LYS  56  18.297 -22.574   8.369
  957    HD3  LYS  56           1HD      LYS  56  17.860 -21.335   9.546
  958    HE2  LYS  56           2HE      LYS  56  15.880 -20.787   8.163
  959    HE3  LYS  56           1HE      LYS  56  16.298 -22.122   7.090
  960    HZ1  LYS  56           3HZ      LYS  56  16.084 -23.633   8.994
  961    HZ2  LYS  56           1HZ      LYS  56  14.633 -22.815   8.660
  962    HZ3  LYS  56           2HZ      LYS  56  15.597 -22.331   9.968
  Start of MODEL    7
    1    H1   GLY   2           1HT      GLY   2 -14.259  15.116  -9.712
    2    H2   GLY   2           2HT      GLY   2 -14.403  15.054 -11.401
    3    H3   GLY   2           3HT      GLY   2 -13.855  13.697 -10.548
    4    HA2  GLY   2           1HA      GLY   2 -16.573  14.872 -10.390
    5    HA3  GLY   2           2HA      GLY   2 -16.139  13.382 -11.219
    6    H    ARG   3           H        ARG   3 -17.893  12.609  -9.717
    7    HA   ARG   3           HA       ARG   3 -16.718  11.905  -7.106
    8    HB2  ARG   3           2HB      ARG   3 -19.086  11.882  -6.230
    9    HB3  ARG   3           1HB      ARG   3 -18.434  13.472  -6.606
   10    HG2  ARG   3           2HG      ARG   3 -19.693  13.590  -8.629
   11    HG3  ARG   3           1HG      ARG   3 -20.186  11.903  -8.482
   12    HD2  ARG   3           2HD      ARG   3 -21.495  12.403  -6.529
   13    HD3  ARG   3           1HD      ARG   3 -20.921  14.072  -6.521
   14    HE   ARG   3           HE       ARG   3 -22.047  13.838  -8.959
   15   HH11  ARG   3          1HH1      ARG   3 -23.246  13.072  -5.744
   16   HH12  ARG   3          2HH1      ARG   3 -24.890  13.448  -6.138
   17   HH21  ARG   3          1HH2      ARG   3 -24.196  14.315  -9.468
   18   HH22  ARG   3          2HH2      ARG   3 -25.443  14.111  -8.269
   19    HA   PRO   4           HA       PRO   4 -17.747   7.834  -8.730
   20    HB2  PRO   4           2HB      PRO   4 -15.678   6.703  -7.168
   21    HB3  PRO   4           1HB      PRO   4 -15.607   7.118  -8.880
   22    HG2  PRO   4           2HG      PRO   4 -14.159   8.344  -6.810
   23    HG3  PRO   4           1HG      PRO   4 -14.340   8.945  -8.464
   24    HD2  PRO   4           2HD      PRO   4 -15.775   9.756  -5.987
   25    HD3  PRO   4           1HD      PRO   4 -15.327  10.726  -7.406
   26    H    TYR   5           H        TYR   5 -19.613   7.294  -7.763
   27    HA   TYR   5           HA       TYR   5 -21.023   6.179  -6.392
   28    HB2  TYR   5           2HB      TYR   5 -18.484   5.128  -5.145
   29    HB3  TYR   5           1HB      TYR   5 -20.095   4.470  -4.882
   30    HD1  TYR   5           1HD      TYR   5 -21.341   3.522  -6.884
   31    HD2  TYR   5           2HD      TYR   5 -17.187   4.437  -6.965
   32    HE1  TYR   5           1HE      TYR   5 -21.059   2.046  -8.832
   33    HE2  TYR   5           2HE      TYR   5 -16.894   2.971  -8.914
   34    HH   TYR   5           HH       TYR   5 -18.045   0.999  -9.906
   35    H    LYS   6           H        LYS   6 -18.472   6.709  -3.988
   36    HA   LYS   6           HA       LYS   6 -20.514   7.507  -2.077
   37    HB2  LYS   6           2HB      LYS   6 -17.535   7.251  -1.611
   38    HB3  LYS   6           1HB      LYS   6 -18.816   7.187  -0.412
   39    HG2  LYS   6           2HG      LYS   6 -18.725   5.152  -2.587
   40    HG3  LYS   6           1HG      LYS   6 -17.640   5.006  -1.205
   41    HD2  LYS   6           2HD      LYS   6 -20.599   5.393  -0.864
   42    HD3  LYS   6           1HD      LYS   6 -19.888   3.792  -1.079
   43    HE2  LYS   6           2HE      LYS   6 -19.041   5.743   1.057
   44    HE3  LYS   6           1HE      LYS   6 -20.240   4.473   1.305
   45    HZ1  LYS   6           3HZ      LYS   6 -17.448   3.955   0.408
   46    HZ2  LYS   6           1HZ      LYS   6 -18.603   2.813   0.892
   47    HZ3  LYS   6           2HZ      LYS   6 -17.948   3.885   2.028
   48    H    LEU   7           H        LEU   7 -17.238   8.707  -2.539
   49    HA   LEU   7           HA       LEU   7 -18.134  11.327  -3.292
   50    HB2  LEU   7           2HB      LEU   7 -17.044  12.557  -1.521
   51    HB3  LEU   7           1HB      LEU   7 -18.257  11.497  -0.840
   52    HG   LEU   7           HG       LEU   7 -15.332  10.764  -0.856
   53   HD11  LEU   7          1HD1      LEU   7 -15.224  11.627   1.428
   54   HD12  LEU   7          2HD1      LEU   7 -16.866  12.249   1.272
   55   HD13  LEU   7          3HD1      LEU   7 -15.577  12.912   0.270
   56   HD21  LEU   7          3HD2      LEU   7 -16.940   8.953  -0.441
   57   HD22  LEU   7          1HD2      LEU   7 -17.643   9.886   0.878
   58   HD23  LEU   7          2HD2      LEU   7 -15.977   9.315   0.993
   59    H    LEU   8           H        LEU   8 -15.326   9.598  -1.995
   60    HA   LEU   8           HA       LEU   8 -13.980   9.784  -4.557
   61    HB2  LEU   8           2HB      LEU   8 -12.852  10.937  -2.004
   62    HB3  LEU   8           1HB      LEU   8 -11.853  10.519  -3.376
   63    HG   LEU   8           HG       LEU   8 -14.064  12.574  -3.438
   64   HD11  LEU   8          1HD1      LEU   8 -12.228  13.274  -1.990
   65   HD12  LEU   8          2HD1      LEU   8 -12.260  14.221  -3.476
   66   HD13  LEU   8          3HD1      LEU   8 -11.073  12.931  -3.279
   67   HD21  LEU   8          3HD2      LEU   8 -13.111  13.197  -5.589
   68   HD22  LEU   8          1HD2      LEU   8 -13.616  11.508  -5.601
   69   HD23  LEU   8          2HD2      LEU   8 -11.907  11.915  -5.442
   70    H    ASN   9           H        ASN   9 -13.498   7.684  -4.919
   71    HA   ASN   9           HA       ASN   9 -12.944   5.905  -2.703
   72    HB2  ASN   9           2HB      ASN   9 -12.906   5.373  -5.681
   73    HB3  ASN   9           1HB      ASN   9 -12.702   4.150  -4.431
   74   HD21  ASN   9          1HD2      ASN   9 -14.484   3.600  -3.110
   75   HD22  ASN   9          2HD2      ASN   9 -16.098   3.947  -3.623
   76    H    GLY  10           H        GLY  10 -11.165   7.958  -2.808
   77    HA2  GLY  10           2HA      GLY  10  -8.684   6.529  -2.818
   78    HA3  GLY  10           1HA      GLY  10  -8.771   7.732  -4.102
   79    H    ILE  11           H        ILE  11  -8.183   7.169  -0.822
   80    HA   ILE  11           HA       ILE  11  -8.264  10.062  -0.237
   81    HB   ILE  11           HB       ILE  11  -8.425   7.853   1.822
   82   HG12  ILE  11          2HG1      ILE  11 -10.394   7.727   0.340
   83   HG13  ILE  11          1HG1      ILE  11 -10.828   8.248   1.966
   84   HG21  ILE  11          1HG2      ILE  11  -9.258   9.635   3.286
   85   HG22  ILE  11          2HG2      ILE  11  -9.038  10.801   1.981
   86   HG23  ILE  11          3HG2      ILE  11  -7.639   9.981   2.679
   87   HD11  ILE  11          3HD1      ILE  11 -12.048   9.534   0.335
   88   HD12  ILE  11          1HD1      ILE  11 -10.545  10.011  -0.456
   89   HD13  ILE  11          2HD1      ILE  11 -10.898  10.573   1.177
   90    H    LYS  12           H        LYS  12  -6.535  10.824   1.216
   91    HA   LYS  12           HA       LYS  12  -4.056   9.510   0.371
   92    HB2  LYS  12           2HB      LYS  12  -4.616  11.911  -0.270
   93    HB3  LYS  12           1HB      LYS  12  -4.369  12.322   1.419
   94    HG2  LYS  12           2HG      LYS  12  -2.226  10.914  -0.114
   95    HG3  LYS  12           1HG      LYS  12  -2.451  12.652  -0.284
   96    HD2  LYS  12           2HD      LYS  12  -2.185  12.896   2.155
   97    HD3  LYS  12           1HD      LYS  12  -1.903  11.159   2.281
   98    HE2  LYS  12           2HE      LYS  12   0.200  12.409   2.275
   99    HE3  LYS  12           1HE      LYS  12   0.069  11.357   0.868
  100    HZ1  LYS  12           3HZ      LYS  12  -0.531  13.242  -0.482
  101    HZ2  LYS  12           1HZ      LYS  12   0.924  13.573   0.321
  102    HZ3  LYS  12           2HZ      LYS  12  -0.524  14.271   0.866
  103    H    LEU  13           H        LEU  13  -2.575   8.823   1.739
  104    HA   LEU  13           HA       LEU  13  -2.821   9.418   4.593
  105    HB2  LEU  13           2HB      LEU  13  -2.324   7.014   5.083
  106    HB3  LEU  13           1HB      LEU  13  -3.920   7.315   4.431
  107    HG   LEU  13           HG       LEU  13  -1.665   6.418   2.650
  108   HD11  LEU  13          1HD1      LEU  13  -3.530   4.680   4.260
  109   HD12  LEU  13          2HD1      LEU  13  -1.780   4.793   4.442
  110   HD13  LEU  13          3HD1      LEU  13  -2.469   4.115   2.968
  111   HD21  LEU  13          3HD2      LEU  13  -4.674   6.156   2.487
  112   HD22  LEU  13          1HD2      LEU  13  -3.524   5.535   1.302
  113   HD23  LEU  13          2HD2      LEU  13  -3.677   7.274   1.552
  114    H    GLY  14           H        GLY  14  -0.790   8.629   5.768
  115    HA2  GLY  14           2HA      GLY  14   1.561   8.709   4.018
  116    HA3  GLY  14           1HA      GLY  14   1.389   9.959   5.244
  117    H    VAL  15           H        VAL  15   3.037   7.302   4.639
  118    HA   VAL  15           HA       VAL  15   2.901   6.299   7.403
  119    HB   VAL  15           HB       VAL  15   3.848   4.817   4.921
  120   HG11  VAL  15          1HG1      VAL  15   4.018   2.869   6.371
  121   HG12  VAL  15          2HG1      VAL  15   3.596   3.863   7.766
  122   HG13  VAL  15          3HG1      VAL  15   5.105   4.152   6.901
  123   HG21  VAL  15          3HG2      VAL  15   1.867   3.423   5.303
  124   HG22  VAL  15          1HG2      VAL  15   1.446   5.100   4.957
  125   HG23  VAL  15          2HG2      VAL  15   1.376   4.496   6.614
  126    H    TYR  16           H        TYR  16   4.757   6.178   8.614
  127    HA   TYR  16           HA       TYR  16   7.141   7.476   7.482
  128    HB2  TYR  16           2HB      TYR  16   5.899   7.494  10.137
  129    HB3  TYR  16           1HB      TYR  16   7.634   7.184  10.171
  130    HD1  TYR  16           1HD      TYR  16   8.331   8.836   7.733
  131    HD2  TYR  16           2HD      TYR  16   5.934   9.676  11.139
  132    HE1  TYR  16           1HE      TYR  16   8.841  11.209   7.481
  133    HE2  TYR  16           2HE      TYR  16   6.437  12.075  10.901
  134    HH   TYR  16           HH       TYR  16   8.415  13.429   9.856
  135    H    ILE  17           H        ILE  17   8.816   6.235   6.977
  136    HA   ILE  17           HA       ILE  17   9.386   3.886   8.622
  137    HB   ILE  17           HB       ILE  17   9.819   2.478   6.660
  138   HG12  ILE  17          2HG1      ILE  17   8.588   4.760   5.101
  139   HG13  ILE  17          1HG1      ILE  17  10.265   4.225   5.003
  140   HG21  ILE  17          1HG2      ILE  17   7.480   2.048   6.061
  141   HG22  ILE  17          2HG2      ILE  17   7.021   3.600   6.762
  142   HG23  ILE  17          3HG2      ILE  17   7.674   2.325   7.791
  143   HD11  ILE  17          3HD1      ILE  17   7.862   2.574   4.257
  144   HD12  ILE  17          1HD1      ILE  17   9.551   2.092   4.106
  145   HD13  ILE  17          2HD1      ILE  17   8.923   3.420   3.127
  146    HA   PRO  18           HA       PRO  18  13.594   5.155   8.464
  147    HB2  PRO  18           2HB      PRO  18  14.351   2.366   7.803
  148    HB3  PRO  18           1HB      PRO  18  14.840   3.371   9.171
  149    HG2  PRO  18           2HG      PRO  18  13.113   1.375   9.501
  150    HG3  PRO  18           1HG      PRO  18  12.907   2.908  10.367
  151    HD2  PRO  18           2HD      PRO  18  11.475   1.893   7.941
  152    HD3  PRO  18           1HD      PRO  18  10.830   2.767   9.348
  153    H    GLN  19           H        GLN  19  15.623   5.083   7.138
  154    HA   GLN  19           HA       GLN  19  14.913   5.595   4.399
  155    HB2  GLN  19           2HB      GLN  19  17.024   6.569   4.158
  156    HB3  GLN  19           1HB      GLN  19  16.634   6.880   5.843
  157    HG2  GLN  19           2HG      GLN  19  17.975   4.834   6.422
  158    HG3  GLN  19           1HG      GLN  19  18.498   4.804   4.739
  159   HE21  GLN  19          1HE2      GLN  19  18.756   6.443   7.773
  160   HE22  GLN  19          2HE2      GLN  19  20.077   7.466   7.335
  161    H    GLU  20           H        GLU  20  16.721   3.177   6.198
  162    HA   GLU  20           HA       GLU  20  17.714   1.586   4.151
  163    HB2  GLU  20           2HB      GLU  20  16.376   0.445   6.608
  164    HB3  GLU  20           1HB      GLU  20  17.712  -0.237   5.697
  165    HG2  GLU  20           2HG      GLU  20  18.802   0.565   7.533
  166    HG3  GLU  20           1HG      GLU  20  18.948   1.942   6.443
  167    H    TRP  21           H        TRP  21  14.469   1.959   5.322
  168    HA   TRP  21           HA       TRP  21  13.311  -0.217   3.860
  169    HB2  TRP  21           2HB      TRP  21  12.354   2.077   5.506
  170    HB3  TRP  21           1HB      TRP  21  11.226   1.380   4.355
  171    HD1  TRP  21           HD       TRP  21  13.627  -0.459   6.842
  172    HE1  TRP  21           1HE      TRP  21  12.142  -2.004   8.288
  173    HE3  TRP  21           3HE      TRP  21   9.105   0.790   4.898
  174    HZ2  TRP  21           2HZ      TRP  21   9.350  -2.590   8.540
  175    HZ3  TRP  21           3HZ      TRP  21   7.086  -0.275   5.769
  176    HH2  TRP  21           HH       TRP  21   7.183  -1.908   7.541
  177    H    HIS  22           H        HIS  22  13.102   3.308   3.678
  178    HA   HIS  22           HA       HIS  22  11.636   3.602   1.378
  179    HB2  HIS  22           2HB      HIS  22  12.381   5.397   2.988
  180    HB3  HIS  22           1HB      HIS  22  13.941   5.388   2.171
  181    HD1  HIS  22           1HD      HIS  22  14.104   6.605  -0.073
  182    HD2  HIS  22           2HD      HIS  22  10.252   6.489   1.494
  183    HE1  HIS  22           1HE      HIS  22  12.759   8.228  -1.445
  184    HE2  HIS  22           2HE      HIS  22  10.532   8.358  -0.267
  185    H    ASP  23           H        ASP  23  15.149   3.339   1.678
  186    HA   ASP  23           HA       ASP  23  15.721   3.713  -1.056
  187    HB2  ASP  23           2HB      ASP  23  17.388   4.077   0.680
  188    HB3  ASP  23           1HB      ASP  23  17.355   2.366   1.095
  189    H    ARG  24           H        ARG  24  15.547   0.700   0.880
  190    HA   ARG  24           HA       ARG  24  16.253  -0.923  -1.377
  191    HB2  ARG  24           2HB      ARG  24  15.294  -1.498   1.406
  192    HB3  ARG  24           1HB      ARG  24  15.333  -2.785   0.213
  193    HG2  ARG  24           2HG      ARG  24  17.324  -2.772   1.628
  194    HG3  ARG  24           1HG      ARG  24  17.718  -2.504  -0.069
  195    HD2  ARG  24           2HD      ARG  24  18.262  -0.282   0.275
  196    HD3  ARG  24           1HD      ARG  24  17.317  -0.171   1.759
  197    HE   ARG  24           HE       ARG  24  19.284  -1.977   2.338
  198   HH11  ARG  24          1HH1      ARG  24  19.321   1.297   1.072
  199   HH12  ARG  24          2HH1      ARG  24  20.769   1.742   1.925
  200   HH21  ARG  24          1HH2      ARG  24  21.201  -1.405   3.428
  201   HH22  ARG  24          2HH2      ARG  24  21.826   0.213   3.283
  202    H    LEU  25           H        LEU  25  13.244  -0.001   0.175
  203    HA   LEU  25           HA       LEU  25  11.553  -1.631  -1.389
  204    HB2  LEU  25           2HB      LEU  25  11.114   0.980   0.049
  205    HB3  LEU  25           1HB      LEU  25   9.830   0.177  -0.838
  206    HG   LEU  25           HG       LEU  25  11.327  -0.993   1.509
  207   HD11  LEU  25          1HD1      LEU  25   9.180  -0.707   2.689
  208   HD12  LEU  25          2HD1      LEU  25   8.556   0.172   1.292
  209   HD13  LEU  25          3HD1      LEU  25   9.909   0.826   2.214
  210   HD21  LEU  25          3HD2      LEU  25   8.929  -2.023  -0.003
  211   HD22  LEU  25          1HD2      LEU  25   9.644  -2.755   1.434
  212   HD23  LEU  25          2HD2      LEU  25  10.559  -2.694  -0.073
  213    H    MET  26           H        MET  26  12.825   1.650  -1.832
  214    HA   MET  26           HA       MET  26  11.494   2.196  -4.249
  215    HB2  MET  26           2HB      MET  26  13.811   3.347  -2.818
  216    HB3  MET  26           1HB      MET  26  13.744   3.654  -4.548
  217    HG2  MET  26           2HG      MET  26  11.553   4.283  -2.582
  218    HG3  MET  26           1HG      MET  26  12.713   5.441  -3.230
  219    HE1  MET  26           3HE      MET  26   9.480   6.558  -5.087
  220    HE2  MET  26           1HE      MET  26  10.873   7.077  -4.137
  221    HE3  MET  26           2HE      MET  26   9.644   6.041  -3.409
  222    H    GLU  27           H        GLU  27  14.623   0.640  -3.624
  223    HA   GLU  27           HA       GLU  27  15.525   0.551  -6.265
  224    HB2  GLU  27           2HB      GLU  27  15.951  -1.388  -3.982
  225    HB3  GLU  27           1HB      GLU  27  16.792  -1.513  -5.520
  226    HG2  GLU  27           2HG      GLU  27  16.925   0.839  -3.648
  227    HG3  GLU  27           1HG      GLU  27  18.142  -0.428  -3.794
  228    H    ILE  28           H        ILE  28  13.713  -1.896  -4.455
  229    HA   ILE  28           HA       ILE  28  13.301  -3.642  -6.641
  230    HB   ILE  28           HB       ILE  28  11.612  -3.281  -4.155
  231   HG12  ILE  28          2HG1      ILE  28  13.885  -5.199  -4.728
  232   HG13  ILE  28          1HG1      ILE  28  13.979  -3.787  -3.680
  233   HG21  ILE  28          1HG2      ILE  28  11.769  -5.603  -6.076
  234   HG22  ILE  28          2HG2      ILE  28  10.414  -4.487  -5.900
  235   HG23  ILE  28          3HG2      ILE  28  10.847  -5.566  -4.574
  236   HD11  ILE  28          3HD1      ILE  28  12.238  -6.202  -3.234
  237   HD12  ILE  28          1HD1      ILE  28  12.331  -4.786  -2.187
  238   HD13  ILE  28          2HD1      ILE  28  13.740  -5.826  -2.389
  239    H    ALA  29           H        ALA  29  11.409  -0.986  -5.303
  240    HA   ALA  29           HA       ALA  29   9.073  -1.377  -6.810
  241    HB1  ALA  29           1HB      ALA  29   9.146   0.009  -4.800
  242    HB2  ALA  29           2HB      ALA  29   8.490   0.902  -6.173
  243    HB3  ALA  29           3HB      ALA  29  10.149   1.186  -5.647
  244    H    LYS  30           H        LYS  30  12.050   0.366  -7.536
  245    HA   LYS  30           HA       LYS  30  10.922   1.711  -9.802
  246    HB2  LYS  30           2HB      LYS  30  13.795   1.344  -8.949
  247    HB3  LYS  30           1HB      LYS  30  13.278   2.365 -10.287
  248    HG2  LYS  30           2HG      LYS  30  12.083   3.814  -8.808
  249    HG3  LYS  30           1HG      LYS  30  12.367   2.734  -7.443
  250    HD2  LYS  30           2HD      LYS  30  13.897   4.581  -7.289
  251    HD3  LYS  30           1HD      LYS  30  14.808   3.131  -7.713
  252    HE2  LYS  30           2HE      LYS  30  15.531   5.085  -9.009
  253    HE3  LYS  30           1HE      LYS  30  14.865   3.817 -10.037
  254    HZ1  LYS  30           3HZ      LYS  30  12.907   5.020 -10.373
  255    HZ2  LYS  30           1HZ      LYS  30  14.134   6.180 -10.509
  256    HZ3  LYS  30           2HZ      LYS  30  13.209   6.081  -9.086
  257    H    GLU  31           H        GLU  31  12.574  -1.298  -9.244
  258    HA   GLU  31           HA       GLU  31  13.125  -1.990 -11.904
  259    HB2  GLU  31           2HB      GLU  31  12.113  -3.825  -9.731
  260    HB3  GLU  31           1HB      GLU  31  12.931  -4.319 -11.203
  261    HG2  GLU  31           2HG      GLU  31  14.952  -3.149 -10.444
  262    HG3  GLU  31           1HG      GLU  31  14.117  -2.731  -8.945
  263    H    LYS  32           H        LYS  32  10.170  -2.315  -9.972
  264    HA   LYS  32           HA       LYS  32   8.769  -3.446 -12.267
  265    HB2  LYS  32           2HB      LYS  32   7.931  -3.071  -9.397
  266    HB3  LYS  32           1HB      LYS  32   6.899  -3.775 -10.636
  267    HG2  LYS  32           2HG      LYS  32   7.733  -5.695  -9.791
  268    HG3  LYS  32           1HG      LYS  32   9.043  -5.350 -10.922
  269    HD2  LYS  32           2HD      LYS  32  10.259  -4.209  -9.085
  270    HD3  LYS  32           1HD      LYS  32   8.978  -4.698  -7.977
  271    HE2  LYS  32           2HE      LYS  32  10.620  -6.317  -7.669
  272    HE3  LYS  32           1HE      LYS  32   9.479  -7.089  -8.770
  273    HZ1  LYS  32           3HZ      LYS  32  10.981  -6.322 -10.616
  274    HZ2  LYS  32           1HZ      LYS  32  11.630  -7.516  -9.597
  275    HZ3  LYS  32           2HZ      LYS  32  12.119  -5.903  -9.424
  276    H    ASN  33           H        ASN  33   9.402  -0.426 -11.216
  277    HA   ASN  33           HA       ASN  33   8.605   1.641 -11.660
  278    HB2  ASN  33           2HB      ASN  33   8.295   0.765 -13.963
  279    HB3  ASN  33           1HB      ASN  33   6.662   0.267 -13.535
  280   HD21  ASN  33          1HD2      ASN  33   5.831   1.588 -15.166
  281   HD22  ASN  33          2HD2      ASN  33   5.725   3.303 -14.977
  282    H    LEU  34           H        LEU  34   7.877   0.773  -9.389
  283    HA   LEU  34           HA       LEU  34   5.150   1.782  -8.990
  284    HB2  LEU  34           2HB      LEU  34   6.442  -0.552  -7.559
  285    HB3  LEU  34           1HB      LEU  34   4.925   0.191  -7.086
  286    HG   LEU  34           HG       LEU  34   5.398  -1.203  -9.718
  287   HD11  LEU  34          1HD1      LEU  34   4.017  -2.995  -8.780
  288   HD12  LEU  34          2HD1      LEU  34   3.989  -2.158  -7.228
  289   HD13  LEU  34          3HD1      LEU  34   5.510  -2.779  -7.867
  290   HD21  LEU  34          3HD2      LEU  34   3.676   0.519  -9.823
  291   HD22  LEU  34          1HD2      LEU  34   2.878  -0.182  -8.417
  292   HD23  LEU  34          2HD2      LEU  34   2.962  -1.091  -9.925
  293    H    THR  35           H        THR  35   4.907   2.568  -6.675
  294    HA   THR  35           HA       THR  35   7.483   3.591  -5.676
  295    HB   THR  35           HB       THR  35   6.155   5.199  -4.354
  296    HG1  THR  35           1HG      THR  35   3.938   3.962  -5.691
  297   HG21  THR  35          3HG2      THR  35   6.906   5.854  -6.582
  298   HG22  THR  35          1HG2      THR  35   5.336   6.570  -6.221
  299   HG23  THR  35          2HG2      THR  35   5.441   5.171  -7.288
  300    H    LEU  36           H        LEU  36   7.883   3.479  -3.353
  301    HA   LEU  36           HA       LEU  36   7.234   1.016  -2.161
  302    HB2  LEU  36           2HB      LEU  36   8.330   1.769  -0.214
  303    HB3  LEU  36           1HB      LEU  36   9.191   2.462  -1.569
  304    HG   LEU  36           HG       LEU  36   7.151   4.008   0.019
  305   HD11  LEU  36          1HD1      LEU  36   9.039   4.998   1.208
  306   HD12  LEU  36          2HD1      LEU  36  10.140   3.889   0.389
  307   HD13  LEU  36          3HD1      LEU  36   8.929   3.265   1.509
  308   HD21  LEU  36          3HD2      LEU  36   7.656   4.904  -2.195
  309   HD22  LEU  36          1HD2      LEU  36   9.381   4.870  -1.824
  310   HD23  LEU  36          2HD2      LEU  36   8.307   5.944  -0.929
  311    H    SER  37           H        SER  37   5.677   4.104  -2.122
  312    HA   SER  37           HA       SER  37   3.764   3.763  -0.137
  313    HB2  SER  37           2HB      SER  37   3.968   5.860  -1.326
  314    HB3  SER  37           1HB      SER  37   3.598   5.085  -2.863
  315    HG   SER  37           HG       SER  37   1.880   6.298  -1.628
  316    H    ASP  38           H        ASP  38   3.711   2.716  -3.535
  317    HA   ASP  38           HA       ASP  38   1.173   1.495  -3.457
  318    HB2  ASP  38           2HB      ASP  38   3.539   0.863  -5.237
  319    HB3  ASP  38           1HB      ASP  38   1.901   0.276  -5.496
  320    H    VAL  39           H        VAL  39   4.444   0.167  -3.079
  321    HA   VAL  39           HA       VAL  39   3.666  -2.520  -2.786
  322    HB   VAL  39           HB       VAL  39   6.098  -1.180  -1.584
  323   HG11  VAL  39          1HG1      VAL  39   5.582  -4.067  -2.291
  324   HG12  VAL  39          2HG1      VAL  39   5.711  -3.394  -0.664
  325   HG13  VAL  39          3HG1      VAL  39   7.117  -3.407  -1.729
  326   HG21  VAL  39          3HG2      VAL  39   5.992  -0.720  -3.953
  327   HG22  VAL  39          1HG2      VAL  39   5.709  -2.426  -4.302
  328   HG23  VAL  39          2HG2      VAL  39   7.257  -1.908  -3.636
  329    H    CYS  40           H        CYS  40   3.876   0.115  -0.491
  330    HA   CYS  40           HA       CYS  40   3.698  -1.474   1.859
  331    HB2  CYS  40           2HB      CYS  40   4.530   0.961   1.551
  332    HB3  CYS  40           1HB      CYS  40   2.833   1.416   1.642
  333    HG   CYS  40           HG       CYS  40   3.795  -0.552   4.150
  334    H    ARG  41           H        ARG  41   1.218   0.652   0.364
  335    HA   ARG  41           HA       ARG  41  -0.963  -0.404   1.727
  336    HB2  ARG  41           2HB      ARG  41  -2.343   0.461  -0.176
  337    HB3  ARG  41           1HB      ARG  41  -1.232   1.629   0.518
  338    HG2  ARG  41           2HG      ARG  41  -0.806   2.050  -1.646
  339    HG3  ARG  41           1HG      ARG  41   0.311   0.699  -1.452
  340    HD2  ARG  41           2HD      ARG  41  -0.786   0.047  -3.358
  341    HD3  ARG  41           1HD      ARG  41  -1.807  -0.712  -2.135
  342    HE   ARG  41           HE       ARG  41  -2.568   1.965  -3.000
  343   HH11  ARG  41          1HH1      ARG  41  -3.094  -1.479  -3.264
  344   HH12  ARG  41          2HH1      ARG  41  -4.634  -1.329  -4.047
  345   HH21  ARG  41          1HH2      ARG  41  -4.584   2.184  -4.060
  346   HH22  ARG  41          2HH2      ARG  41  -5.467   0.762  -4.531
  347    H    LEU  42           H        LEU  42   0.653  -1.677  -1.155
  348    HA   LEU  42           HA       LEU  42  -1.312  -3.698  -1.643
  349    HB2  LEU  42           2HB      LEU  42   1.606  -3.579  -2.415
  350    HB3  LEU  42           1HB      LEU  42   0.481  -4.799  -2.979
  351    HG   LEU  42           HG       LEU  42   0.277  -1.838  -3.529
  352   HD11  LEU  42          1HD1      LEU  42   0.834  -2.461  -5.833
  353   HD12  LEU  42          2HD1      LEU  42   1.059  -4.135  -5.327
  354   HD13  LEU  42          3HD1      LEU  42   2.135  -2.879  -4.718
  355   HD21  LEU  42          3HD2      LEU  42  -1.914  -2.916  -3.410
  356   HD22  LEU  42          1HD2      LEU  42  -1.378  -4.154  -4.547
  357   HD23  LEU  42          2HD2      LEU  42  -1.517  -2.476  -5.072
  358    H    ALA  43           H        ALA  43   1.288  -3.299   0.555
  359    HA   ALA  43           HA       ALA  43   1.704  -6.016   1.184
  360    HB1  ALA  43           1HB      ALA  43   3.377  -4.336   1.702
  361    HB2  ALA  43           2HB      ALA  43   2.872  -5.186   3.162
  362    HB3  ALA  43           3HB      ALA  43   2.265  -3.564   2.832
  363    H    ILE  44           H        ILE  44  -0.391  -3.471   2.482
  364    HA   ILE  44           HA       ILE  44  -1.352  -5.036   4.654
  365    HB   ILE  44           HB       ILE  44  -2.972  -3.363   5.082
  366   HG12  ILE  44          2HG1      ILE  44  -2.451  -2.238   2.317
  367   HG13  ILE  44          1HG1      ILE  44  -3.882  -3.153   2.785
  368   HG21  ILE  44          1HG2      ILE  44  -1.643  -1.301   5.049
  369   HG22  ILE  44          2HG2      ILE  44  -0.513  -2.064   3.931
  370   HG23  ILE  44          3HG2      ILE  44  -0.703  -2.700   5.565
  371   HD11  ILE  44          3HD1      ILE  44  -4.344  -0.771   2.754
  372   HD12  ILE  44          1HD1      ILE  44  -3.043  -0.489   3.913
  373   HD13  ILE  44          2HD1      ILE  44  -4.468  -1.409   4.394
  374    H    LYS  45           H        LYS  45  -2.295  -4.617   1.318
  375    HA   LYS  45           HA       LYS  45  -4.787  -5.864   1.430
  376    HB2  LYS  45           2HB      LYS  45  -3.916  -4.676  -0.565
  377    HB3  LYS  45           1HB      LYS  45  -2.793  -6.001  -0.838
  378    HG2  LYS  45           2HG      LYS  45  -4.636  -7.532  -1.193
  379    HG3  LYS  45           1HG      LYS  45  -5.795  -6.251  -0.832
  380    HD2  LYS  45           2HD      LYS  45  -4.911  -4.978  -2.773
  381    HD3  LYS  45           1HD      LYS  45  -3.876  -6.357  -3.158
  382    HE2  LYS  45           2HE      LYS  45  -6.887  -6.432  -3.000
  383    HE3  LYS  45           1HE      LYS  45  -5.954  -6.313  -4.492
  384    HZ1  LYS  45           3HZ      LYS  45  -5.002  -8.459  -4.076
  385    HZ2  LYS  45           1HZ      LYS  45  -6.685  -8.594  -3.970
  386    HZ3  LYS  45           2HZ      LYS  45  -5.751  -8.567  -2.558
  387    H    GLU  46           H        GLU  46  -1.559  -7.268   0.916
  388    HA   GLU  46           HA       GLU  46  -2.546  -9.953   0.772
  389    HB2  GLU  46           2HB      GLU  46  -0.386  -9.111  -0.256
  390    HB3  GLU  46           1HB      GLU  46   0.283  -9.076   1.370
  391    HG2  GLU  46           2HG      GLU  46  -0.077 -11.465   1.592
  392    HG3  GLU  46           1HG      GLU  46  -0.811 -11.519  -0.007
  393    H    TYR  47           H        TYR  47  -1.443  -7.787   3.246
  394    HA   TYR  47           HA       TYR  47  -1.034  -9.627   5.320
  395    HB2  TYR  47           2HB      TYR  47  -0.352  -7.231   5.388
  396    HB3  TYR  47           1HB      TYR  47  -2.044  -6.782   5.542
  397    HD1  TYR  47           1HD      TYR  47   0.737  -8.535   7.221
  398    HD2  TYR  47           2HD      TYR  47  -3.123  -6.810   7.660
  399    HE1  TYR  47           1HE      TYR  47   0.951  -8.700   9.661
  400    HE2  TYR  47           2HE      TYR  47  -2.928  -6.983  10.106
  401    HH   TYR  47           HH       TYR  47   0.047  -7.714  11.654
  402    H    LEU  48           H        LEU  48  -3.892  -7.775   4.335
  403    HA   LEU  48           HA       LEU  48  -5.672  -8.898   6.226
  404    HB2  LEU  48           2HB      LEU  48  -6.321  -7.799   3.486
  405    HB3  LEU  48           1HB      LEU  48  -7.458  -8.045   4.795
  406    HG   LEU  48           HG       LEU  48  -5.204  -6.038   4.750
  407   HD11  LEU  48          1HD1      LEU  48  -6.992  -4.386   4.714
  408   HD12  LEU  48          2HD1      LEU  48  -8.195  -5.674   4.666
  409   HD13  LEU  48          3HD1      LEU  48  -7.088  -5.451   3.312
  410   HD21  LEU  48          3HD2      LEU  48  -5.553  -6.899   7.000
  411   HD22  LEU  48          1HD2      LEU  48  -7.282  -6.575   6.870
  412   HD23  LEU  48          2HD2      LEU  48  -6.130  -5.239   6.867
  413    H    ASP  49           H        ASP  49  -4.713  -9.786   2.984
  414    HA   ASP  49           HA       ASP  49  -6.652 -11.719   2.429
  415    HB2  ASP  49           2HB      ASP  49  -4.993 -10.680   0.841
  416    HB3  ASP  49           1HB      ASP  49  -3.773 -11.752   1.514
  417    H    ASN  50           H        ASN  50  -3.511 -12.002   4.014
  418    HA   ASN  50           HA       ASN  50  -3.702 -14.869   4.228
  419    HB2  ASN  50           2HB      ASN  50  -1.576 -13.541   3.841
  420    HB3  ASN  50           1HB      ASN  50  -1.667 -13.055   5.529
  421   HD21  ASN  50          1HD2      ASN  50   0.271 -14.682   3.949
  422   HD22  ASN  50          2HD2      ASN  50   0.444 -16.155   4.848
  423    H    HIS  51           H        HIS  51  -4.023 -12.101   6.428
  424    HA   HIS  51           HA       HIS  51  -4.348 -13.885   8.712
  425    HB2  HIS  51           2HB      HIS  51  -4.182 -10.891   8.443
  426    HB3  HIS  51           1HB      HIS  51  -4.647 -11.660   9.954
  427    HD1  HIS  51           1HD      HIS  51  -2.808 -12.358  11.468
  428    HD2  HIS  51           2HD      HIS  51  -1.475 -11.649   7.587
  429    HE1  HIS  51           1HE      HIS  51  -0.303 -12.491  11.572
  430    HE2  HIS  51           2HE      HIS  51   0.493 -11.866   9.267
  431    H    ASP  52           H        ASP  52  -6.212 -11.264   7.192
  432    HA   ASP  52           HA       ASP  52  -8.589 -12.104   8.670
  433    HB2  ASP  52           2HB      ASP  52  -7.900  -9.689   8.596
  434    HB3  ASP  52           1HB      ASP  52  -8.201  -9.702   6.861
  435    H    LYS  53           H        LYS  53  -8.377 -14.084   7.272
  436    HA   LYS  53           HA       LYS  53  -8.559 -14.103   4.509
  437    HB2  LYS  53           2HB      LYS  53  -9.646 -16.189   6.396
  438    HB3  LYS  53           1HB      LYS  53  -9.238 -16.432   4.705
  439    HG2  LYS  53           2HG      LYS  53  -6.881 -15.867   5.260
  440    HG3  LYS  53           1HG      LYS  53  -7.346 -15.828   6.963
  441    HD2  LYS  53           2HD      LYS  53  -7.528 -18.188   5.092
  442    HD3  LYS  53           1HD      LYS  53  -6.394 -17.986   6.428
  443    HE2  LYS  53           2HE      LYS  53  -8.196 -18.055   8.029
  444    HE3  LYS  53           1HE      LYS  53  -9.391 -18.100   6.734
  445    HZ1  LYS  53           3HZ      LYS  53  -9.070 -20.299   7.601
  446    HZ2  LYS  53           1HZ      LYS  53  -7.390 -20.204   7.367
  447    HZ3  LYS  53           2HZ      LYS  53  -8.433 -20.243   6.033
  448    H    GLN  54           H        GLN  54 -11.276 -15.174   6.552
  449    HA   GLN  54           HA       GLN  54 -13.068 -14.419   4.401
  450    HB2  GLN  54           2HB      GLN  54 -14.819 -15.574   5.734
  451    HB3  GLN  54           1HB      GLN  54 -13.458 -16.605   5.319
  452    HG2  GLN  54           2HG      GLN  54 -12.657 -16.627   7.506
  453    HG3  GLN  54           1HG      GLN  54 -13.616 -15.223   7.971
  454   HE21  GLN  54          1HE2      GLN  54 -16.021 -16.202   6.645
  455   HE22  GLN  54          2HE2      GLN  54 -16.635 -17.473   7.646
  456    H    LYS  55           H        LYS  55 -13.998 -12.551   4.335
  457    HA   LYS  55           HA       LYS  55 -14.307 -10.973   6.771
  458    HB2  LYS  55           2HB      LYS  55 -14.582 -10.299   3.837
  459    HB3  LYS  55           1HB      LYS  55 -15.004  -9.175   5.124
  460    HG2  LYS  55           2HG      LYS  55 -12.792  -9.012   5.869
  461    HG3  LYS  55           1HG      LYS  55 -12.295 -10.442   4.967
  462    HD2  LYS  55           2HD      LYS  55 -12.545  -9.269   2.878
  463    HD3  LYS  55           1HD      LYS  55 -13.217  -7.865   3.709
  464    HE2  LYS  55           2HE      LYS  55 -10.779  -7.707   3.046
  465    HE3  LYS  55           1HE      LYS  55 -11.157  -7.353   4.731
  466    HZ1  LYS  55           3HZ      LYS  55  -9.193  -8.781   4.453
  467    HZ2  LYS  55           1HZ      LYS  55 -10.159  -9.981   3.751
  468    HZ3  LYS  55           2HZ      LYS  55 -10.402  -9.527   5.371
  469    H    LYS  56           H        LYS  56 -15.878 -12.488   7.550
  470    HA   LYS  56           HA       LYS  56 -17.954 -13.260   8.004
  471    HB2  LYS  56           2HB      LYS  56 -18.937 -10.953   6.315
  472    HB3  LYS  56           1HB      LYS  56 -19.899 -11.896   7.444
  473    HG2  LYS  56           2HG      LYS  56 -18.436 -11.079   9.279
  474    HG3  LYS  56           1HG      LYS  56 -17.631 -10.031   8.108
  475    HD2  LYS  56           2HD      LYS  56 -19.285  -8.712   9.206
  476    HD3  LYS  56           1HD      LYS  56 -19.885  -9.054   7.581
  477    HE2  LYS  56           2HE      LYS  56 -21.697  -9.359   9.107
  478    HE3  LYS  56           1HE      LYS  56 -21.190 -10.951   8.541
  479    HZ1  LYS  56           3HZ      LYS  56 -19.952 -11.257  10.594
  480    HZ2  LYS  56           1HZ      LYS  56 -21.580 -10.927  10.936
  481    HZ3  LYS  56           2HZ      LYS  56 -20.412  -9.714  11.133
  482    H1   GLY   2           1HT      GLY   2  19.868  19.552  12.724
  483    H2   GLY   2           2HT      GLY   2  20.040  20.030  14.337
  484    H3   GLY   2           3HT      GLY   2  18.632  19.231  13.841
  485    HA2  GLY   2           1HA      GLY   2  21.369  18.116  14.060
  486    HA3  GLY   2           2HA      GLY   2  19.957  17.665  15.006
  487    H    ARG   3           H        ARG   3  21.371  15.723  13.752
  488    HA   ARG   3           HA       ARG   3  19.356  14.697  11.932
  489    HB2  ARG   3           2HB      ARG   3  21.061  13.984  10.265
  490    HB3  ARG   3           1HB      ARG   3  20.862  15.727  10.363
  491    HG2  ARG   3           2HG      ARG   3  22.886  15.905  11.687
  492    HG3  ARG   3           1HG      ARG   3  23.074  14.151  11.658
  493    HD2  ARG   3           2HD      ARG   3  23.256  14.236   9.201
  494    HD3  ARG   3           1HD      ARG   3  23.129  15.994   9.272
  495    HE   ARG   3           HE       ARG   3  25.231  15.139  10.940
  496   HH11  ARG   3          1HH1      ARG   3  24.454  15.408   7.524
  497   HH12  ARG   3          2HH1      ARG   3  26.111  15.617   7.046
  498   HH21  ARG   3          1HH2      ARG   3  27.382  15.370  10.314
  499   HH22  ARG   3          2HH2      ARG   3  27.791  15.560   8.633
  500    HA   PRO   4           HA       PRO   4  20.468  11.295  14.634
  501    HB2  PRO   4           2HB      PRO   4  18.368   9.720  13.986
  502    HB3  PRO   4           1HB      PRO   4  18.216  11.107  15.070
  503    HG2  PRO   4           2HG      PRO   4  17.524  10.881  12.169
  504    HG3  PRO   4           1HG      PRO   4  16.632  11.684  13.474
  505    HD2  PRO   4           2HD      PRO   4  18.207  13.012  11.685
  506    HD3  PRO   4           1HD      PRO   4  17.907  13.587  13.337
  507    H    TYR   5           H        TYR   5  21.757   9.624  14.286
  508    HA   TYR   5           HA       TYR   5  22.952   7.971  13.318
  509    HB2  TYR   5           2HB      TYR   5  20.509   7.763  11.556
  510    HB3  TYR   5           1HB      TYR   5  21.860   6.641  11.477
  511    HD1  TYR   5           1HD      TYR   5  22.372   5.208  13.468
  512    HD2  TYR   5           2HD      TYR   5  18.832   7.554  13.210
  513    HE1  TYR   5           1HE      TYR   5  21.341   3.832  15.225
  514    HE2  TYR   5           2HE      TYR   5  17.794   6.190  14.971
  515    HH   TYR   5           HH       TYR   5  18.058   3.848  15.871
  516    H    LYS   6           H        LYS   6  21.407   8.933  10.305
  517    HA   LYS   6           HA       LYS   6  24.083   9.545   9.253
  518    HB2  LYS   6           2HB      LYS   6  21.618   8.716   7.710
  519    HB3  LYS   6           1HB      LYS   6  23.245   8.911   7.067
  520    HG2  LYS   6           2HG      LYS   6  24.023   7.065   8.459
  521    HG3  LYS   6           1HG      LYS   6  22.397   6.870   9.114
  522    HD2  LYS   6           2HD      LYS   6  21.567   6.388   6.848
  523    HD3  LYS   6           1HD      LYS   6  23.211   6.534   6.229
  524    HE2  LYS   6           2HE      LYS   6  22.234   4.513   8.243
  525    HE3  LYS   6           1HE      LYS   6  22.617   4.197   6.553
  526    HZ1  LYS   6           3HZ      LYS   6  24.503   4.974   8.711
  527    HZ2  LYS   6           1HZ      LYS   6  24.926   4.947   7.067
  528    HZ3  LYS   6           2HZ      LYS   6  24.464   3.516   7.849
  529    H    LEU   7           H        LEU   7  20.711  10.416   8.486
  530    HA   LEU   7           HA       LEU   7  21.349  13.216   8.758
  531    HB2  LEU   7           2HB      LEU   7  20.516  13.844   6.526
  532    HB3  LEU   7           1HB      LEU   7  22.004  12.929   6.471
  533    HG   LEU   7           HG       LEU   7  19.358  11.574   6.014
  534   HD11  LEU   7          1HD1      LEU   7  19.711  11.948   3.603
  535   HD12  LEU   7          2HD1      LEU   7  21.046  13.037   3.987
  536   HD13  LEU   7          3HD1      LEU   7  19.402  13.444   4.482
  537   HD21  LEU   7          3HD2      LEU   7  21.304  10.147   6.357
  538   HD22  LEU   7          1HD2      LEU   7  22.175  11.008   5.088
  539   HD23  LEU   7          2HD2      LEU   7  20.749  10.052   4.685
  540    H    LEU   8           H        LEU   8  18.757  11.413   7.108
  541    HA   LEU   8           HA       LEU   8  16.901  12.219   9.221
  542    HB2  LEU   8           2HB      LEU   8  16.487  12.674   6.263
  543    HB3  LEU   8           1HB      LEU   8  15.216  12.804   7.463
  544    HG   LEU   8           HG       LEU   8  17.697  14.530   7.399
  545   HD11  LEU   8          1HD1      LEU   8  14.871  15.154   6.552
  546   HD12  LEU   8          2HD1      LEU   8  16.264  14.980   5.483
  547   HD13  LEU   8          3HD1      LEU   8  16.202  16.308   6.641
  548   HD21  LEU   8          3HD2      LEU   8  15.174  14.722   9.043
  549   HD22  LEU   8          1HD2      LEU   8  16.498  15.890   9.042
  550   HD23  LEU   8          2HD2      LEU   8  16.765  14.252   9.638
  551    H    ASN   9           H        ASN   9  16.939  10.063   9.873
  552    HA   ASN   9           HA       ASN   9  16.297   7.970   7.988
  553    HB2  ASN   9           2HB      ASN   9  16.719   7.903  10.986
  554    HB3  ASN   9           1HB      ASN   9  16.427   6.481   9.993
  555   HD21  ASN   9          1HD2      ASN   9  18.363   5.504  10.404
  556   HD22  ASN   9          2HD2      ASN   9  19.883   6.133   9.856
  557    H    GLY  10           H        GLY  10  14.299   9.661   7.826
  558    HA2  GLY  10           2HA      GLY  10  12.024   8.106   8.622
  559    HA3  GLY  10           1HA      GLY  10  12.129   9.638   9.489
  560    H    ILE  11           H        ILE  11  10.977   8.147   6.720
  561    HA   ILE  11           HA       ILE  11  11.069  10.659   5.165
  562    HB   ILE  11           HB       ILE  11  11.021   7.873   3.998
  563   HG12  ILE  11          2HG1      ILE  11  13.149   8.279   5.193
  564   HG13  ILE  11          1HG1      ILE  11  13.377   8.157   3.450
  565   HG21  ILE  11          1HG2      ILE  11  11.572   8.995   1.909
  566   HG22  ILE  11          2HG2      ILE  11  11.553  10.554   2.733
  567   HG23  ILE  11          3HG2      ILE  11  10.066   9.617   2.581
  568   HD11  ILE  11          3HD1      ILE  11  14.726   9.944   4.399
  569   HD12  ILE  11          1HD1      ILE  11  13.277  10.709   5.051
  570   HD13  ILE  11          2HD1      ILE  11  13.504  10.596   3.307
  571    H    LYS  12           H        LYS  12   9.213  11.321   4.170
  572    HA   LYS  12           HA       LYS  12   6.782   9.944   5.050
  573    HB2  LYS  12           2HB      LYS  12   7.255  12.352   5.707
  574    HB3  LYS  12           1HB      LYS  12   7.037  12.773   4.018
  575    HG2  LYS  12           2HG      LYS  12   4.892  11.313   5.502
  576    HG3  LYS  12           1HG      LYS  12   5.076  13.058   5.676
  577    HD2  LYS  12           2HD      LYS  12   4.968  13.196   3.157
  578    HD3  LYS  12           1HD      LYS  12   4.497  11.494   3.167
  579    HE2  LYS  12           2HE      LYS  12   2.553  12.985   3.044
  580    HE3  LYS  12           1HE      LYS  12   2.550  12.022   4.522
  581    HZ1  LYS  12           3HZ      LYS  12   3.507  14.832   4.343
  582    HZ2  LYS  12           1HZ      LYS  12   3.359  13.905   5.755
  583    HZ3  LYS  12           2HZ      LYS  12   1.973  14.374   4.904
  584    H    LEU  13           H        LEU  13   5.532   8.979   3.630
  585    HA   LEU  13           HA       LEU  13   5.745   9.725   0.798
  586    HB2  LEU  13           2HB      LEU  13   5.281   7.248   0.342
  587    HB3  LEU  13           1HB      LEU  13   6.899   7.700   0.836
  588    HG   LEU  13           HG       LEU  13   4.995   6.815   2.949
  589   HD11  LEU  13          1HD1      LEU  13   4.681   5.156   1.200
  590   HD12  LEU  13          2HD1      LEU  13   5.603   4.478   2.542
  591   HD13  LEU  13          3HD1      LEU  13   6.427   4.956   1.057
  592   HD21  LEU  13          3HD2      LEU  13   7.953   6.432   2.476
  593   HD22  LEU  13          1HD2      LEU  13   7.064   5.908   3.907
  594   HD23  LEU  13          2HD2      LEU  13   7.221   7.630   3.548
  595    H    GLY  14           H        GLY  14   3.864   9.601  -0.406
  596    HA2  GLY  14           2HA      GLY  14   1.429   9.627   1.239
  597    HA3  GLY  14           1HA      GLY  14   1.630  10.420  -0.316
  598    H    VAL  15           H        VAL  15   0.019   8.063   1.101
  599    HA   VAL  15           HA       VAL  15   0.187   6.188  -1.160
  600    HB   VAL  15           HB       VAL  15  -1.037   5.645   1.553
  601   HG11  VAL  15          1HG1      VAL  15  -1.817   4.189  -0.230
  602   HG12  VAL  15          2HG1      VAL  15  -0.813   3.300   0.917
  603   HG13  VAL  15          3HG1      VAL  15  -0.151   3.786  -0.644
  604   HG21  VAL  15          3HG2      VAL  15   1.314   6.144   1.876
  605   HG22  VAL  15          1HG2      VAL  15   1.752   4.996   0.610
  606   HG23  VAL  15          2HG2      VAL  15   1.015   4.422   2.106
  607    H    TYR  16           H        TYR  16  -1.822   5.351  -2.008
  608    HA   TYR  16           HA       TYR  16  -4.238   6.831  -1.248
  609    HB2  TYR  16           2HB      TYR  16  -2.931   6.779  -3.891
  610    HB3  TYR  16           1HB      TYR  16  -4.669   6.498  -3.902
  611    HD1  TYR  16           1HD      TYR  16  -6.088   8.187  -2.529
  612    HD2  TYR  16           2HD      TYR  16  -2.137   8.965  -3.899
  613    HE1  TYR  16           1HE      TYR  16  -6.498  10.591  -2.318
  614    HE2  TYR  16           2HE      TYR  16  -2.540  11.383  -3.698
  615    HH   TYR  16           HH       TYR  16  -5.315  12.669  -2.102
  616    H    ILE  17           H        ILE  17  -5.860   5.548  -0.811
  617    HA   ILE  17           HA       ILE  17  -6.236   3.056  -2.264
  618    HB   ILE  17           HB       ILE  17  -6.602   1.753  -0.182
  619   HG12  ILE  17          2HG1      ILE  17  -5.291   4.126   1.155
  620   HG13  ILE  17          1HG1      ILE  17  -6.954   3.595   1.388
  621   HG21  ILE  17          1HG2      ILE  17  -4.223   1.393   0.333
  622   HG22  ILE  17          2HG2      ILE  17  -3.827   2.860  -0.564
  623   HG23  ILE  17          3HG2      ILE  17  -4.541   1.479  -1.400
  624   HD11  ILE  17          3HD1      ILE  17  -6.130   1.495   2.342
  625   HD12  ILE  17          1HD1      ILE  17  -5.552   2.904   3.238
  626   HD13  ILE  17          2HD1      ILE  17  -4.474   2.060   2.124
  627    HA   PRO  18           HA       PRO  18 -10.509   3.942  -2.149
  628    HB2  PRO  18           2HB      PRO  18 -11.615   1.565  -1.254
  629    HB3  PRO  18           1HB      PRO  18 -11.127   1.900  -2.916
  630    HG2  PRO  18           2HG      PRO  18  -9.650   0.437  -0.767
  631    HG3  PRO  18           1HG      PRO  18  -9.783   0.064  -2.499
  632    HD2  PRO  18           2HD      PRO  18  -7.581   1.202  -1.502
  633    HD3  PRO  18           1HD      PRO  18  -8.216   1.673  -3.093
  634    H    GLN  19           H        GLN  19 -12.357   4.328  -0.878
  635    HA   GLN  19           HA       GLN  19 -11.794   5.185   1.757
  636    HB2  GLN  19           2HB      GLN  19 -13.419   6.282   0.245
  637    HB3  GLN  19           1HB      GLN  19 -14.458   4.871   0.353
  638    HG2  GLN  19           2HG      GLN  19 -13.728   6.123   2.916
  639    HG3  GLN  19           1HG      GLN  19 -14.747   7.086   1.847
  640   HE21  GLN  19          1HE2      GLN  19 -14.536   4.230   3.807
  641   HE22  GLN  19          2HE2      GLN  19 -16.224   3.844   3.785
  642    H    GLU  20           H        GLU  20 -13.421   2.399   0.391
  643    HA   GLU  20           HA       GLU  20 -14.555   1.265   2.664
  644    HB2  GLU  20           2HB      GLU  20 -13.336  -0.037   0.225
  645    HB3  GLU  20           1HB      GLU  20 -14.262  -0.914   1.431
  646    HG2  GLU  20           2HG      GLU  20 -15.583  -0.359  -0.554
  647    HG3  GLU  20           1HG      GLU  20 -16.240   0.363   0.913
  648    H    TRP  21           H        TRP  21 -11.249   1.339   1.588
  649    HA   TRP  21           HA       TRP  21 -10.315  -0.666   3.424
  650    HB2  TRP  21           2HB      TRP  21  -9.127   1.124   1.389
  651    HB3  TRP  21           1HB      TRP  21  -8.078   0.728   2.746
  652    HD1  TRP  21           HD       TRP  21 -10.467  -1.990   1.551
  653    HE1  TRP  21           1HE      TRP  21  -9.095  -3.839   0.386
  654    HE3  TRP  21           3HE      TRP  21  -5.958   0.377   1.368
  655    HZ2  TRP  21           2HZ      TRP  21  -6.424  -4.223  -0.487
  656    HZ3  TRP  21           3HZ      TRP  21  -4.045  -0.788   0.364
  657    HH2  TRP  21           HH       TRP  21  -4.272  -3.026  -0.540
  658    H    HIS  22           H        HIS  22 -10.166   2.877   3.203
  659    HA   HIS  22           HA       HIS  22  -8.855   3.378   5.617
  660    HB2  HIS  22           2HB      HIS  22 -10.832   4.964   4.004
  661    HB3  HIS  22           1HB      HIS  22 -10.271   5.561   5.564
  662    HD1  HIS  22           1HD      HIS  22  -8.235   6.947   5.492
  663    HD2  HIS  22           2HD      HIS  22  -8.533   4.466   2.166
  664    HE1  HIS  22           1HE      HIS  22  -6.296   7.560   4.009
  665    HE2  HIS  22           2HE      HIS  22  -6.607   6.175   1.929
  666    H    ASP  23           H        ASP  23 -12.230   2.756   4.925
  667    HA   ASP  23           HA       ASP  23 -13.384   3.400   7.378
  668    HB2  ASP  23           2HB      ASP  23 -14.546   2.804   5.205
  669    HB3  ASP  23           1HB      ASP  23 -14.223   1.117   5.580
  670    H    ARG  24           H        ARG  24 -12.333   0.189   6.218
  671    HA   ARG  24           HA       ARG  24 -12.815  -0.969   8.793
  672    HB2  ARG  24           2HB      ARG  24 -11.793  -1.997   6.189
  673    HB3  ARG  24           1HB      ARG  24 -11.521  -2.950   7.642
  674    HG2  ARG  24           2HG      ARG  24 -13.511  -3.739   6.620
  675    HG3  ARG  24           1HG      ARG  24 -13.973  -2.860   8.077
  676    HD2  ARG  24           2HD      ARG  24 -14.316  -0.849   6.546
  677    HD3  ARG  24           1HD      ARG  24 -14.216  -1.999   5.217
  678    HE   ARG  24           HE       ARG  24 -16.185  -2.304   7.385
  679   HH11  ARG  24          1HH1      ARG  24 -15.522  -2.092   3.921
  680   HH12  ARG  24          2HH1      ARG  24 -17.154  -2.476   3.481
  681   HH21  ARG  24          1HH2      ARG  24 -18.296  -2.773   6.782
  682   HH22  ARG  24          2HH2      ARG  24 -18.730  -2.853   5.096
  683    H    LEU  25           H        LEU  25  -9.977   0.273   7.145
  684    HA   LEU  25           HA       LEU  25  -8.029  -0.864   8.831
  685    HB2  LEU  25           2HB      LEU  25  -8.029   1.729   7.289
  686    HB3  LEU  25           1HB      LEU  25  -6.638   1.140   8.177
  687    HG   LEU  25           HG       LEU  25  -7.939  -0.234   5.826
  688   HD11  LEU  25          1HD1      LEU  25  -5.834   0.290   4.695
  689   HD12  LEU  25          2HD1      LEU  25  -5.289   1.164   6.126
  690   HD13  LEU  25          3HD1      LEU  25  -6.677   1.749   5.213
  691   HD21  LEU  25          3HD2      LEU  25  -5.492  -1.005   7.413
  692   HD22  LEU  25          1HD2      LEU  25  -6.091  -1.817   5.967
  693   HD23  LEU  25          2HD2      LEU  25  -7.045  -1.839   7.451
  694    H    MET  26           H        MET  26  -9.815   2.191   9.035
  695    HA   MET  26           HA       MET  26  -8.500   3.129  11.340
  696    HB2  MET  26           2HB      MET  26 -11.181   3.800  10.148
  697    HB3  MET  26           1HB      MET  26 -10.540   4.615  11.571
  698    HG2  MET  26           2HG      MET  26  -9.204   4.508   8.874
  699    HG3  MET  26           1HG      MET  26 -10.134   5.872   9.504
  700    HE1  MET  26           3HE      MET  26  -7.169   6.157   8.396
  701    HE2  MET  26           1HE      MET  26  -6.453   7.210   9.618
  702    HE3  MET  26           2HE      MET  26  -8.096   7.510   9.047
  703    H    GLU  27           H        GLU  27 -11.402   1.147  10.939
  704    HA   GLU  27           HA       GLU  27 -12.120   1.125  13.664
  705    HB2  GLU  27           2HB      GLU  27 -12.563  -0.881  11.454
  706    HB3  GLU  27           1HB      GLU  27 -13.231  -1.085  13.068
  707    HG2  GLU  27           2HG      GLU  27 -13.802   1.187  11.177
  708    HG3  GLU  27           1HG      GLU  27 -14.879  -0.155  11.566
  709    H    ILE  28           H        ILE  28 -10.018  -1.006  11.781
  710    HA   ILE  28           HA       ILE  28  -9.329  -2.751  13.899
  711    HB   ILE  28           HB       ILE  28  -7.853  -2.036  11.359
  712   HG12  ILE  28          2HG1      ILE  28  -9.520  -4.454  12.086
  713   HG13  ILE  28          1HG1      ILE  28 -10.058  -3.123  11.067
  714   HG21  ILE  28          1HG2      ILE  28  -6.272  -2.882  13.003
  715   HG22  ILE  28          2HG2      ILE  28  -6.525  -4.059  11.714
  716   HG23  ILE  28          3HG2      ILE  28  -7.296  -4.289  13.283
  717   HD11  ILE  28          3HD1      ILE  28  -9.413  -5.028   9.724
  718   HD12  ILE  28          1HD1      ILE  28  -7.811  -5.032  10.462
  719   HD13  ILE  28          2HD1      ILE  28  -8.309  -3.680   9.445
  720    H    ALA  29           H        ALA  29  -8.172   0.336  12.834
  721    HA   ALA  29           HA       ALA  29  -5.681   0.404  14.140
  722    HB1  ALA  29           1HB      ALA  29  -5.769   2.811  13.778
  723    HB2  ALA  29           2HB      ALA  29  -7.486   2.701  13.391
  724    HB3  ALA  29           3HB      ALA  29  -6.293   1.939  12.337
  725    H    LYS  30           H        LYS  30  -8.928   1.144  15.208
  726    HA   LYS  30           HA       LYS  30  -8.060   2.436  17.629
  727    HB2  LYS  30           2HB      LYS  30 -10.815   1.377  17.000
  728    HB3  LYS  30           1HB      LYS  30 -10.387   2.628  18.163
  729    HG2  LYS  30           2HG      LYS  30  -9.724   4.120  16.372
  730    HG3  LYS  30           1HG      LYS  30 -10.066   2.871  15.176
  731    HD2  LYS  30           2HD      LYS  30 -11.913   4.371  15.198
  732    HD3  LYS  30           1HD      LYS  30 -12.437   2.881  15.984
  733    HE2  LYS  30           2HE      LYS  30 -13.217   4.838  17.205
  734    HE3  LYS  30           1HE      LYS  30 -12.076   3.904  18.168
  735    HZ1  LYS  30           3HZ      LYS  30 -11.347   6.323  16.602
  736    HZ2  LYS  30           1HZ      LYS  30 -10.354   5.477  17.686
  737    HZ3  LYS  30           2HZ      LYS  30 -11.701   6.331  18.259
  738    H    GLU  31           H        GLU  31  -9.312  -0.706  16.698
  739    HA   GLU  31           HA       GLU  31  -9.649  -1.777  19.268
  740    HB2  GLU  31           2HB      GLU  31  -8.950  -3.199  16.704
  741    HB3  GLU  31           1HB      GLU  31  -9.538  -3.975  18.163
  742    HG2  GLU  31           2HG      GLU  31 -11.636  -2.706  17.945
  743    HG3  GLU  31           1HG      GLU  31 -11.037  -2.045  16.419
  744    H    LYS  32           H        LYS  32  -6.934  -2.005  17.002
  745    HA   LYS  32           HA       LYS  32  -5.537  -3.731  18.890
  746    HB2  LYS  32           2HB      LYS  32  -5.082  -3.184  15.961
  747    HB3  LYS  32           1HB      LYS  32  -4.093  -4.272  16.934
  748    HG2  LYS  32           2HG      LYS  32  -5.913  -5.740  17.312
  749    HG3  LYS  32           1HG      LYS  32  -7.070  -4.581  16.656
  750    HD2  LYS  32           2HD      LYS  32  -6.054  -4.828  14.443
  751    HD3  LYS  32           1HD      LYS  32  -4.901  -5.989  15.105
  752    HE2  LYS  32           2HE      LYS  32  -6.829  -7.042  13.939
  753    HE3  LYS  32           1HE      LYS  32  -6.656  -7.536  15.620
  754    HZ1  LYS  32           3HZ      LYS  32  -8.514  -5.395  14.739
  755    HZ2  LYS  32           1HZ      LYS  32  -8.449  -6.140  16.259
  756    HZ3  LYS  32           2HZ      LYS  32  -8.978  -7.010  14.903
  757    H    ASN  33           H        ASN  33  -5.592  -0.529  18.311
  758    HA   ASN  33           HA       ASN  33  -4.287   1.198  18.985
  759    HB2  ASN  33           2HB      ASN  33  -3.812  -0.184  20.974
  760    HB3  ASN  33           1HB      ASN  33  -2.473  -0.943  20.123
  761   HD21  ASN  33          1HD2      ASN  33  -1.025  -0.265  21.679
  762   HD22  ASN  33          2HD2      ASN  33  -0.499   1.376  21.797
  763    H    LEU  34           H        LEU  34  -4.171   0.797  16.495
  764    HA   LEU  34           HA       LEU  34  -1.358   1.094  15.719
  765    HB2  LEU  34           2HB      LEU  34  -3.436  -0.568  14.281
  766    HB3  LEU  34           1HB      LEU  34  -1.871  -0.139  13.611
  767    HG   LEU  34           HG       LEU  34  -2.241  -1.773  16.124
  768   HD11  LEU  34          1HD1      LEU  34  -1.592  -3.687  14.717
  769   HD12  LEU  34          2HD1      LEU  34  -1.668  -2.647  13.294
  770   HD13  LEU  34          3HD1      LEU  34  -3.131  -2.981  14.220
  771   HD21  LEU  34          3HD2      LEU  34  -0.115  -0.553  15.967
  772   HD22  LEU  34          1HD2      LEU  34   0.177  -1.279  14.386
  773   HD23  LEU  34          2HD2      LEU  34   0.117  -2.295  15.825
  774    H    THR  35           H        THR  35  -1.149   2.252  13.624
  775    HA   THR  35           HA       THR  35  -3.591   3.733  12.892
  776    HB   THR  35           HB       THR  35  -2.222   5.541  12.038
  777    HG1  THR  35           1HG      THR  35   0.112   4.252  13.041
  778   HG21  THR  35          3HG2      THR  35  -2.775   5.640  14.419
  779   HG22  THR  35          1HG2      THR  35  -1.200   6.371  14.106
  780   HG23  THR  35          2HG2      THR  35  -1.301   4.755  14.806
  781    H    LEU  36           H        LEU  36  -3.789   4.178  10.559
  782    HA   LEU  36           HA       LEU  36  -3.351   1.918   8.975
  783    HB2  LEU  36           2HB      LEU  36  -4.157   3.173   7.141
  784    HB3  LEU  36           1HB      LEU  36  -5.036   3.710   8.557
  785    HG   LEU  36           HG       LEU  36  -2.734   5.219   7.307
  786   HD11  LEU  36          1HD1      LEU  36  -4.466   6.733   6.455
  787   HD12  LEU  36          2HD1      LEU  36  -5.710   5.642   7.067
  788   HD13  LEU  36          3HD1      LEU  36  -4.622   5.110   5.785
  789   HD21  LEU  36          3HD2      LEU  36  -4.737   5.999   9.427
  790   HD22  LEU  36          1HD2      LEU  36  -3.578   7.090   8.671
  791   HD23  LEU  36          2HD2      LEU  36  -3.006   5.746   9.658
  792    H    SER  37           H        SER  37  -1.422   4.750   9.548
  793    HA   SER  37           HA       SER  37   0.593   4.387   7.635
  794    HB2  SER  37           2HB      SER  37   0.212   6.372   9.196
  795    HB3  SER  37           1HB      SER  37   1.004   5.417  10.448
  796    HG   SER  37           HG       SER  37   2.061   6.639   8.185
  797    H    ASP  38           H        ASP  38   0.337   3.238  10.996
  798    HA   ASP  38           HA       ASP  38   2.737   1.782  11.073
  799    HB2  ASP  38           2HB      ASP  38   0.176   1.491  12.642
  800    HB3  ASP  38           1HB      ASP  38   1.577   0.468  12.930
  801    H    VAL  39           H        VAL  39  -0.542   0.837  10.162
  802    HA   VAL  39           HA       VAL  39  -0.060  -1.924   9.956
  803    HB   VAL  39           HB       VAL  39  -2.096  -0.264   8.449
  804   HG11  VAL  39          1HG1      VAL  39  -1.975  -3.238   8.941
  805   HG12  VAL  39          2HG1      VAL  39  -1.774  -2.424   7.389
  806   HG13  VAL  39          3HG1      VAL  39  -3.332  -2.378   8.213
  807   HG21  VAL  39          3HG2      VAL  39  -2.311  -0.050  10.871
  808   HG22  VAL  39          1HG2      VAL  39  -2.348  -1.806  11.031
  809   HG23  VAL  39          2HG2      VAL  39  -3.655  -0.969  10.194
  810    H    CYS  40           H        CYS  40   0.334   0.706   7.619
  811    HA   CYS  40           HA       CYS  40   0.780  -0.930   5.375
  812    HB2  CYS  40           2HB      CYS  40   1.603   1.908   5.968
  813    HB3  CYS  40           1HB      CYS  40   1.887   1.165   4.417
  814    HG   CYS  40           HG       CYS  40  -1.113   1.917   5.866
  815    H    ARG  41           H        ARG  41   3.302   0.933   7.100
  816    HA   ARG  41           HA       ARG  41   5.479  -0.441   6.202
  817    HB2  ARG  41           2HB      ARG  41   6.598   0.338   8.336
  818    HB3  ARG  41           1HB      ARG  41   5.830   1.579   7.359
  819    HG2  ARG  41           2HG      ARG  41   5.068   2.231   9.372
  820    HG3  ARG  41           1HG      ARG  41   3.806   1.057   9.001
  821    HD2  ARG  41           2HD      ARG  41   4.540   0.685  11.255
  822    HD3  ARG  41           1HD      ARG  41   5.118  -0.654  10.254
  823    HE   ARG  41           HE       ARG  41   7.164   1.199  10.278
  824   HH11  ARG  41          1HH1      ARG  41   5.380  -0.564  12.720
  825   HH12  ARG  41          2HH1      ARG  41   6.730  -0.691  13.804
  826   HH21  ARG  41          1HH2      ARG  41   8.936   1.068  11.710
  827   HH22  ARG  41          2HH2      ARG  41   8.748   0.269  13.238
  828    H    LEU  42           H        LEU  42   3.468  -1.355   9.031
  829    HA   LEU  42           HA       LEU  42   5.201  -3.433   9.886
  830    HB2  LEU  42           2HB      LEU  42   2.276  -2.910  10.342
  831    HB3  LEU  42           1HB      LEU  42   3.044  -4.364  10.948
  832    HG   LEU  42           HG       LEU  42   3.884  -1.556  11.663
  833   HD11  LEU  42          1HD1      LEU  42   2.867  -2.022  13.836
  834   HD12  LEU  42          2HD1      LEU  42   2.293  -3.579  13.238
  835   HD13  LEU  42          3HD1      LEU  42   1.670  -2.082  12.542
  836   HD21  LEU  42          3HD2      LEU  42   5.214  -2.668  13.391
  837   HD22  LEU  42          1HD2      LEU  42   5.703  -3.177  11.775
  838   HD23  LEU  42          2HD2      LEU  42   4.707  -4.240  12.771
  839    H    ALA  43           H        ALA  43   2.588  -3.280   7.574
  840    HA   ALA  43           HA       ALA  43   2.414  -6.085   7.188
  841    HB1  ALA  43           1HB      ALA  43   1.041  -5.545   5.253
  842    HB2  ALA  43           2HB      ALA  43   1.510  -3.850   5.385
  843    HB3  ALA  43           3HB      ALA  43   0.553  -4.603   6.661
  844    H    ILE  44           H        ILE  44   4.512  -3.606   5.968
  845    HA   ILE  44           HA       ILE  44   5.449  -5.051   3.699
  846    HB   ILE  44           HB       ILE  44   6.750  -2.843   5.301
  847   HG12  ILE  44          2HG1      ILE  44   5.338  -2.955   2.633
  848   HG13  ILE  44          1HG1      ILE  44   4.834  -2.078   4.075
  849   HG21  ILE  44          1HG2      ILE  44   8.398  -2.667   3.494
  850   HG22  ILE  44          2HG2      ILE  44   7.713  -4.103   2.732
  851   HG23  ILE  44          3HG2      ILE  44   8.494  -4.229   4.308
  852   HD11  ILE  44          3HD1      ILE  44   6.717  -0.571   3.847
  853   HD12  ILE  44          1HD1      ILE  44   5.757  -0.592   2.371
  854   HD13  ILE  44          2HD1      ILE  44   7.290  -1.466   2.440
  855    H    LYS  45           H        LYS  45   6.435  -4.829   7.079
  856    HA   LYS  45           HA       LYS  45   8.700  -6.459   6.928
  857    HB2  LYS  45           2HB      LYS  45   8.040  -5.105   8.915
  858    HB3  LYS  45           1HB      LYS  45   6.761  -6.265   9.243
  859    HG2  LYS  45           2HG      LYS  45   8.437  -8.024   9.532
  860    HG3  LYS  45           1HG      LYS  45   9.714  -6.846   9.224
  861    HD2  LYS  45           2HD      LYS  45   8.982  -5.563  11.191
  862    HD3  LYS  45           1HD      LYS  45   7.735  -6.774  11.504
  863    HE2  LYS  45           2HE      LYS  45  10.715  -7.248  11.486
  864    HE3  LYS  45           1HE      LYS  45   9.688  -7.149  12.915
  865    HZ1  LYS  45           3HZ      LYS  45   8.494  -9.108  12.151
  866    HZ2  LYS  45           1HZ      LYS  45  10.150  -9.441  12.316
  867    HZ3  LYS  45           2HZ      LYS  45   9.481  -9.206  10.776
  868    H    GLU  46           H        GLU  46   5.294  -7.255   7.307
  869    HA   GLU  46           HA       GLU  46   5.645 -10.088   7.507
  870    HB2  GLU  46           2HB      GLU  46   3.630  -8.864   8.305
  871    HB3  GLU  46           1HB      GLU  46   3.239  -8.456   6.643
  872    HG2  GLU  46           2HG      GLU  46   1.841 -10.240   7.127
  873    HG3  GLU  46           1HG      GLU  46   3.168 -10.978   6.235
  874    H    TYR  47           H        TYR  47   5.169  -7.763   4.958
  875    HA   TYR  47           HA       TYR  47   4.502  -9.455   2.840
  876    HB2  TYR  47           2HB      TYR  47   4.400  -6.889   3.028
  877    HB3  TYR  47           1HB      TYR  47   6.095  -6.913   2.570
  878    HD1  TYR  47           1HD      TYR  47   2.764  -8.115   1.408
  879    HD2  TYR  47           2HD      TYR  47   6.658  -6.784   0.328
  880    HE1  TYR  47           1HE      TYR  47   2.088  -8.076  -0.955
  881    HE2  TYR  47           2HE      TYR  47   5.995  -6.753  -2.038
  882    HH   TYR  47           HH       TYR  47   2.782  -6.958  -3.052
  883    H    LEU  48           H        LEU  48   7.612  -8.191   3.955
  884    HA   LEU  48           HA       LEU  48   9.213  -9.510   2.032
  885    HB2  LEU  48           2HB      LEU  48   9.979  -8.653   4.823
  886    HB3  LEU  48           1HB      LEU  48  11.083  -9.002   3.508
  887    HG   LEU  48           HG       LEU  48   9.134  -6.695   3.624
  888   HD11  LEU  48          1HD1      LEU  48  11.162  -5.322   3.742
  889   HD12  LEU  48          2HD1      LEU  48  12.139  -6.787   3.836
  890   HD13  LEU  48          3HD1      LEU  48  11.005  -6.398   5.130
  891   HD21  LEU  48          3HD2      LEU  48   9.425  -7.481   1.339
  892   HD22  LEU  48          1HD2      LEU  48  11.179  -7.431   1.529
  893   HD23  LEU  48          2HD2      LEU  48  10.242  -5.936   1.570
  894    H    ASP  49           H        ASP  49   8.125 -10.354   5.255
  895    HA   ASP  49           HA       ASP  49   9.801 -12.518   5.766
  896    HB2  ASP  49           2HB      ASP  49   8.379 -11.328   7.425
  897    HB3  ASP  49           1HB      ASP  49   6.971 -12.139   6.751
  898    H    ASN  50           H        ASN  50   6.573 -12.471   4.278
  899    HA   ASN  50           HA       ASN  50   6.536 -15.350   4.050
  900    HB2  ASN  50           2HB      ASN  50   4.628 -13.247   3.006
  901    HB3  ASN  50           1HB      ASN  50   4.371 -14.984   2.861
  902   HD21  ASN  50          1HD2      ASN  50   4.387 -12.258   4.975
  903   HD22  ASN  50          2HD2      ASN  50   3.706 -13.046   6.358
  904    H    HIS  51           H        HIS  51   7.849 -12.855   2.197
  905    HA   HIS  51           HA       HIS  51   7.578 -14.353  -0.303
  906    HB2  HIS  51           2HB      HIS  51   8.628 -11.585   0.280
  907    HB3  HIS  51           1HB      HIS  51   8.746 -12.343  -1.306
  908    HD1  HIS  51           1HD      HIS  51   7.230  -9.993  -1.676
  909    HD2  HIS  51           2HD      HIS  51   5.402 -13.321   0.025
  910    HE1  HIS  51           1HE      HIS  51   4.756  -9.652  -1.981
  911    HE2  HIS  51           2HE      HIS  51   3.687 -11.521  -0.681
  912    H    ASP  52           H        ASP  52  10.276 -12.661   1.329
  913    HA   ASP  52           HA       ASP  52  11.851 -15.087   1.041
  914    HB2  ASP  52           2HB      ASP  52  13.729 -14.040  -0.012
  915    HB3  ASP  52           1HB      ASP  52  12.311 -13.696  -0.992
  916    H    LYS  53           H        LYS  53  12.816 -15.524   2.855
  917    HA   LYS  53           HA       LYS  53  12.446 -13.717   5.060
  918    HB2  LYS  53           2HB      LYS  53  13.641 -16.492   4.921
  919    HB3  LYS  53           1HB      LYS  53  13.302 -15.616   6.409
  920    HG2  LYS  53           2HG      LYS  53  10.949 -15.655   5.980
  921    HG3  LYS  53           1HG      LYS  53  11.207 -16.318   4.366
  922    HD2  LYS  53           2HD      LYS  53  12.046 -17.733   6.888
  923    HD3  LYS  53           1HD      LYS  53  10.476 -17.972   6.123
  924    HE2  LYS  53           2HE      LYS  53  13.146 -18.440   4.797
  925    HE3  LYS  53           1HE      LYS  53  12.125 -19.697   5.492
  926    HZ1  LYS  53           3HZ      LYS  53  11.766 -19.605   3.144
  927    HZ2  LYS  53           1HZ      LYS  53  11.454 -17.943   3.193
  928    HZ3  LYS  53           2HZ      LYS  53  10.369 -19.020   3.912
  929    H    GLN  54           H        GLN  54  14.964 -14.385   2.888
  930    HA   GLN  54           HA       GLN  54  16.757 -12.720   4.426
  931    HB2  GLN  54           2HB      GLN  54  18.645 -14.329   4.204
  932    HB3  GLN  54           1HB      GLN  54  17.379 -14.854   5.304
  933    HG2  GLN  54           2HG      GLN  54  16.495 -16.343   3.599
  934    HG3  GLN  54           1HG      GLN  54  17.731 -15.796   2.467
  935   HE21  GLN  54          1HE2      GLN  54  19.781 -15.643   4.541
  936   HE22  GLN  54          2HE2      GLN  54  20.239 -17.276   4.876
  937    H    LYS  55           H        LYS  55  18.074 -11.526   3.225
  938    HA   LYS  55           HA       LYS  55  18.100 -12.022   0.323
  939    HB2  LYS  55           2HB      LYS  55  18.244  -9.456   1.907
  940    HB3  LYS  55           1HB      LYS  55  18.703  -9.537   0.210
  941    HG2  LYS  55           2HG      LYS  55  16.487 -10.190  -0.419
  942    HG3  LYS  55           1HG      LYS  55  16.004 -10.342   1.269
  943    HD2  LYS  55           2HD      LYS  55  16.213  -7.972   1.600
  944    HD3  LYS  55           1HD      LYS  55  16.904  -7.767  -0.011
  945    HE2  LYS  55           2HE      LYS  55  14.495  -7.141   0.147
  946    HE3  LYS  55           1HE      LYS  55  14.845  -8.383  -1.054
  947    HZ1  LYS  55           3HZ      LYS  55  14.083 -10.068   0.508
  948    HZ2  LYS  55           1HZ      LYS  55  12.871  -8.922   0.226
  949    HZ3  LYS  55           2HZ      LYS  55  13.751  -8.880   1.670
  950    H    LYS  56           H        LYS  56  19.883 -13.144  -0.057
  951    HA   LYS  56           HA       LYS  56  22.058 -13.731  -0.244
  952    HB2  LYS  56           2HB      LYS  56  22.463 -10.815   0.423
  953    HB3  LYS  56           1HB      LYS  56  23.781 -11.899  -0.001
  954    HG2  LYS  56           2HG      LYS  56  22.758 -12.303  -2.179
  955    HG3  LYS  56           1HG      LYS  56  21.423 -11.231  -1.753
  956    HD2  LYS  56           2HD      LYS  56  23.111 -10.123  -3.164
  957    HD3  LYS  56           1HD      LYS  56  22.940  -9.351  -1.587
  958    HE2  LYS  56           2HE      LYS  56  25.287  -9.542  -2.222
  959    HE3  LYS  56           1HE      LYS  56  24.935 -10.515  -0.795
  960    HZ1  LYS  56           3HZ      LYS  56  26.359 -11.626  -2.472
  961    HZ2  LYS  56           1HZ      LYS  56  25.049 -11.614  -3.552
  962    HZ3  LYS  56           2HZ      LYS  56  24.945 -12.488  -2.103
  Start of MODEL    8
    1    H1   GLY   2           1HT      GLY   2 -21.610  17.993  -4.261
    2    H2   GLY   2           2HT      GLY   2 -21.054  19.253  -5.248
    3    H3   GLY   2           3HT      GLY   2 -19.964  18.391  -4.279
    4    HA2  GLY   2           1HA      GLY   2 -21.475  17.335  -6.602
    5    HA3  GLY   2           2HA      GLY   2 -19.749  17.664  -6.546
    6    H    ARG   3           H        ARG   3 -21.402  15.158  -6.955
    7    HA   ARG   3           HA       ARG   3 -19.891  13.522  -5.046
    8    HB2  ARG   3           2HB      ARG   3 -22.152  13.681  -4.141
    9    HB3  ARG   3           1HB      ARG   3 -22.828  13.176  -5.683
   10    HG2  ARG   3           2HG      ARG   3 -21.997  10.982  -5.445
   11    HG3  ARG   3           1HG      ARG   3 -20.951  11.447  -4.101
   12    HD2  ARG   3           2HD      ARG   3 -23.014  10.194  -3.434
   13    HD3  ARG   3           1HD      ARG   3 -22.819  11.762  -2.652
   14    HE   ARG   3           HE       ARG   3 -24.373  12.230  -4.874
   15   HH11  ARG   3          1HH1      ARG   3 -24.650  10.087  -2.108
   16   HH12  ARG   3          2HH1      ARG   3 -26.374  10.272  -1.977
   17   HH21  ARG   3          1HH2      ARG   3 -26.628  12.493  -4.703
   18   HH22  ARG   3          2HH2      ARG   3 -27.497  11.659  -3.446
   19    HA   PRO   4           HA       PRO   4 -18.889  11.785  -9.092
   20    HB2  PRO   4           2HB      PRO   4 -16.973  10.256  -7.451
   21    HB3  PRO   4           1HB      PRO   4 -16.672  11.304  -8.840
   22    HG2  PRO   4           2HG      PRO   4 -15.993  12.045  -6.355
   23    HG3  PRO   4           1HG      PRO   4 -16.589  13.221  -7.543
   24    HD2  PRO   4           2HD      PRO   4 -18.038  11.918  -5.266
   25    HD3  PRO   4           1HD      PRO   4 -18.099  13.605  -5.822
   26    H    TYR   5           H        TYR   5 -19.161   9.940  -6.078
   27    HA   TYR   5           HA       TYR   5 -20.860   7.994  -7.407
   28    HB2  TYR   5           2HB      TYR   5 -18.277   7.236  -6.025
   29    HB3  TYR   5           1HB      TYR   5 -19.571   6.089  -6.352
   30    HD1  TYR   5           1HD      TYR   5 -20.260   5.735  -8.779
   31    HD2  TYR   5           2HD      TYR   5 -16.665   7.718  -7.662
   32    HE1  TYR   5           1HE      TYR   5 -19.350   5.335 -11.022
   33    HE2  TYR   5           2HE      TYR   5 -15.743   7.319  -9.907
   34    HH   TYR   5           HH       TYR   5 -17.681   6.257 -12.512
   35    H    LYS   6           H        LYS   6 -19.063   8.028  -4.345
   36    HA   LYS   6           HA       LYS   6 -21.556   8.560  -2.910
   37    HB2  LYS   6           2HB      LYS   6 -21.057   6.775  -1.293
   38    HB3  LYS   6           1HB      LYS   6 -21.335   6.139  -2.906
   39    HG2  LYS   6           2HG      LYS   6 -18.978   5.814  -3.240
   40    HG3  LYS   6           1HG      LYS   6 -18.619   6.591  -1.693
   41    HD2  LYS   6           2HD      LYS   6 -19.883   4.817  -0.538
   42    HD3  LYS   6           1HD      LYS   6 -20.178   4.036  -2.092
   43    HE2  LYS   6           2HE      LYS   6 -17.755   3.758  -2.393
   44    HE3  LYS   6           1HE      LYS   6 -17.486   4.508  -0.818
   45    HZ1  LYS   6           3HZ      LYS   6 -18.881   1.944  -1.363
   46    HZ2  LYS   6           1HZ      LYS   6 -18.856   2.700   0.157
   47    HZ3  LYS   6           2HZ      LYS   6 -17.413   2.157  -0.546
   48    H    LEU   7           H        LEU   7 -19.020   9.897  -3.630
   49    HA   LEU   7           HA       LEU   7 -17.664  11.491  -2.777
   50    HB2  LEU   7           2HB      LEU   7 -19.538  12.036  -1.259
   51    HB3  LEU   7           1HB      LEU   7 -18.941  10.850  -0.116
   52    HG   LEU   7           HG       LEU   7 -16.837  12.194   0.084
   53   HD11  LEU   7          1HD1      LEU   7 -16.957  13.364  -2.048
   54   HD12  LEU   7          2HD1      LEU   7 -16.862  14.504  -0.706
   55   HD13  LEU   7          3HD1      LEU   7 -18.406  14.215  -1.510
   56   HD21  LEU   7          3HD2      LEU   7 -19.402  13.626   0.759
   57   HD22  LEU   7          1HD2      LEU   7 -17.828  13.914   1.501
   58   HD23  LEU   7          2HD2      LEU   7 -18.639  12.364   1.724
   59    H    LEU   8           H        LEU   8 -15.576  11.402  -2.374
   60    HA   LEU   8           HA       LEU   8 -13.538  10.763  -1.645
   61    HB2  LEU   8           2HB      LEU   8 -15.058   9.350   0.548
   62    HB3  LEU   8           1HB      LEU   8 -13.332   9.661   0.539
   63    HG   LEU   8           HG       LEU   8 -15.493  11.773   0.607
   64   HD11  LEU   8          1HD1      LEU   8 -13.602  10.796   2.742
   65   HD12  LEU   8          2HD1      LEU   8 -15.348  10.548   2.697
   66   HD13  LEU   8          3HD1      LEU   8 -14.694  12.174   2.889
   67   HD21  LEU   8          3HD2      LEU   8 -13.500  12.533  -0.575
   68   HD22  LEU   8          1HD2      LEU   8 -12.490  12.019   0.775
   69   HD23  LEU   8          2HD2      LEU   8 -13.647  13.334   0.990
   70    H    ASN   9           H        ASN   9 -13.354   9.514  -3.598
   71    HA   ASN   9           HA       ASN   9 -13.715   6.655  -3.442
   72    HB2  ASN   9           2HB      ASN   9 -12.895   6.560  -5.676
   73    HB3  ASN   9           1HB      ASN   9 -13.877   8.017  -5.588
   74   HD21  ASN   9          1HD2      ASN   9 -12.887  10.026  -5.694
   75   HD22  ASN   9          2HD2      ASN   9 -11.241  10.226  -6.211
   76    H    GLY  10           H        GLY  10 -11.359   8.891  -2.504
   77    HA2  GLY  10           2HA      GLY  10  -9.562   6.817  -1.648
   78    HA3  GLY  10           1HA      GLY  10  -8.919   7.809  -2.950
   79    H    ILE  11           H        ILE  11  -8.233   7.468  -0.037
   80    HA   ILE  11           HA       ILE  11  -8.452  10.301   0.773
   81    HB   ILE  11           HB       ILE  11  -8.275   7.963   2.684
   82   HG12  ILE  11          2HG1      ILE  11 -10.384   7.835   1.412
   83   HG13  ILE  11          1HG1      ILE  11 -10.660   8.218   3.110
   84   HG21  ILE  11          1HG2      ILE  11  -7.506  10.011   3.667
   85   HG22  ILE  11          2HG2      ILE  11  -9.097   9.639   4.329
   86   HG23  ILE  11          3HG2      ILE  11  -8.928  10.876   3.084
   87   HD11  ILE  11          3HD1      ILE  11 -12.095   9.543   1.675
   88   HD12  ILE  11          1HD1      ILE  11 -10.684  10.188   0.833
   89   HD13  ILE  11          2HD1      ILE  11 -10.947  10.570   2.534
   90    H    LYS  12           H        LYS  12  -6.634  11.010   2.197
   91    HA   LYS  12           HA       LYS  12  -4.140   9.957   1.080
   92    HB2  LYS  12           2HB      LYS  12  -4.609  12.344   0.727
   93    HB3  LYS  12           1HB      LYS  12  -4.756  12.582   2.462
   94    HG2  LYS  12           2HG      LYS  12  -2.625  13.382   1.837
   95    HG3  LYS  12           1HG      LYS  12  -2.362  11.843   2.659
   96    HD2  LYS  12           2HD      LYS  12  -2.147  10.723   0.503
   97    HD3  LYS  12           1HD      LYS  12  -2.439  12.253  -0.328
   98    HE2  LYS  12           2HE      LYS  12  -0.426  13.135   0.973
   99    HE3  LYS  12           1HE      LYS  12  -0.076  11.447   1.340
  100    HZ1  LYS  12           3HZ      LYS  12  -0.237  12.684  -1.354
  101    HZ2  LYS  12           1HZ      LYS  12  -0.038  11.022  -1.078
  102    HZ3  LYS  12           2HZ      LYS  12   1.160  12.115  -0.580
  103    H    LEU  13           H        LEU  13  -2.688   8.979   2.300
  104    HA   LEU  13           HA       LEU  13  -2.879   9.211   5.214
  105    HB2  LEU  13           2HB      LEU  13  -2.327   6.773   5.350
  106    HB3  LEU  13           1HB      LEU  13  -3.929   7.139   4.749
  107    HG   LEU  13           HG       LEU  13  -1.703   6.595   2.815
  108   HD11  LEU  13          1HD1      LEU  13  -3.395   4.533   4.221
  109   HD12  LEU  13          2HD1      LEU  13  -1.652   4.742   4.390
  110   HD13  LEU  13          3HD1      LEU  13  -2.334   4.225   2.847
  111   HD21  LEU  13          3HD2      LEU  13  -3.571   5.793   1.435
  112   HD22  LEU  13          1HD2      LEU  13  -3.818   7.467   1.944
  113   HD23  LEU  13          2HD2      LEU  13  -4.692   6.159   2.744
  114    H    GLY  14           H        GLY  14  -1.020   9.653   6.161
  115    HA2  GLY  14           2HA      GLY  14   1.425   9.438   4.535
  116    HA3  GLY  14           1HA      GLY  14   1.194  10.536   5.889
  117    H    VAL  15           H        VAL  15   2.822   7.893   4.987
  118    HA   VAL  15           HA       VAL  15   2.716   6.653   7.657
  119    HB   VAL  15           HB       VAL  15   3.769   5.451   5.076
  120   HG11  VAL  15          1HG1      VAL  15   3.856   3.355   6.325
  121   HG12  VAL  15          2HG1      VAL  15   3.374   4.210   7.790
  122   HG13  VAL  15          3HG1      VAL  15   4.920   4.575   7.025
  123   HG21  VAL  15          3HG2      VAL  15   1.228   4.840   6.574
  124   HG22  VAL  15          1HG2      VAL  15   1.802   4.037   5.112
  125   HG23  VAL  15          2HG2      VAL  15   1.335   5.737   5.058
  126    H    TYR  16           H        TYR  16   4.643   6.345   8.813
  127    HA   TYR  16           HA       TYR  16   7.000   7.721   7.716
  128    HB2  TYR  16           2HB      TYR  16   5.667   7.971  10.282
  129    HB3  TYR  16           1HB      TYR  16   7.366   7.549  10.475
  130    HD1  TYR  16           1HD      TYR  16   8.911   8.912   8.718
  131    HD2  TYR  16           2HD      TYR  16   5.212  10.236  10.338
  132    HE1  TYR  16           1HE      TYR  16   9.560  11.228   8.269
  133    HE2  TYR  16           2HE      TYR  16   5.852  12.572   9.902
  134    HH   TYR  16           HH       TYR  16   7.754  13.932   9.485
  135    H    ILE  17           H        ILE  17   8.628   6.417   7.220
  136    HA   ILE  17           HA       ILE  17   9.144   4.072   8.897
  137    HB   ILE  17           HB       ILE  17   9.354   2.540   7.091
  138   HG12  ILE  17          2HG1      ILE  17   8.698   4.820   5.213
  139   HG13  ILE  17          1HG1      ILE  17  10.274   4.055   5.389
  140   HG21  ILE  17          1HG2      ILE  17   6.802   4.104   6.775
  141   HG22  ILE  17          2HG2      ILE  17   7.105   2.800   7.923
  142   HG23  ILE  17          3HG2      ILE  17   7.072   2.461   6.193
  143   HD11  ILE  17          3HD1      ILE  17   7.756   2.786   4.347
  144   HD12  ILE  17          1HD1      ILE  17   9.262   1.917   4.648
  145   HD13  ILE  17          2HD1      ILE  17   9.207   3.196   3.429
  146    HA   PRO  18           HA       PRO  18  13.356   5.134   8.636
  147    HB2  PRO  18           2HB      PRO  18  14.654   2.777   8.193
  148    HB3  PRO  18           1HB      PRO  18  13.918   3.207   9.741
  149    HG2  PRO  18           2HG      PRO  18  12.842   1.479   7.548
  150    HG3  PRO  18           1HG      PRO  18  12.814   1.210   9.302
  151    HD2  PRO  18           2HD      PRO  18  10.661   2.120   7.968
  152    HD3  PRO  18           1HD      PRO  18  11.035   2.648   9.619
  153    H    GLN  19           H        GLN  19  15.109   5.604   7.309
  154    HA   GLN  19           HA       GLN  19  14.586   5.799   4.537
  155    HB2  GLN  19           2HB      GLN  19  16.643   6.913   4.361
  156    HB3  GLN  19           1HB      GLN  19  16.110   7.275   5.996
  157    HG2  GLN  19           2HG      GLN  19  18.117   6.609   6.669
  158    HG3  GLN  19           1HG      GLN  19  17.598   4.965   6.285
  159   HE21  GLN  19          1HE2      GLN  19  18.287   4.020   4.339
  160   HE22  GLN  19          2HE2      GLN  19  19.603   4.666   3.418
  161    H    GLU  20           H        GLU  20  16.257   3.472   6.508
  162    HA   GLU  20           HA       GLU  20  17.665   1.998   4.647
  163    HB2  GLU  20           2HB      GLU  20  16.106   1.075   7.061
  164    HB3  GLU  20           1HB      GLU  20  17.169   0.023   6.136
  165    HG2  GLU  20           2HG      GLU  20  17.993   2.540   7.567
  166    HG3  GLU  20           1HG      GLU  20  18.264   0.890   8.131
  167    H    TRP  21           H        TRP  21  14.219   1.923   5.396
  168    HA   TRP  21           HA       TRP  21  13.647  -0.231   3.610
  169    HB2  TRP  21           2HB      TRP  21  12.060   1.750   5.174
  170    HB3  TRP  21           1HB      TRP  21  11.268   0.931   3.835
  171    HD1  TRP  21           HD       TRP  21  13.612  -1.471   5.393
  172    HE1  TRP  21           1HE      TRP  21  12.327  -3.055   6.976
  173    HE3  TRP  21           3HE      TRP  21   9.237   1.094   5.676
  174    HZ2  TRP  21           2HZ      TRP  21   9.751  -3.170   8.192
  175    HZ3  TRP  21           3HZ      TRP  21   7.417   0.212   7.053
  176    HH2  TRP  21           HH       TRP  21   7.654  -1.864   8.273
  177    H    HIS  22           H        HIS  22  13.514   3.296   3.451
  178    HA   HIS  22           HA       HIS  22  12.294   3.562   0.960
  179    HB2  HIS  22           2HB      HIS  22  14.208   5.275   2.496
  180    HB3  HIS  22           1HB      HIS  22  13.789   5.710   0.840
  181    HD1  HIS  22           1HD      HIS  22  11.753   7.082   0.565
  182    HD2  HIS  22           2HD      HIS  22  11.792   5.064   4.208
  183    HE1  HIS  22           1HE      HIS  22   9.728   7.903   1.826
  184    HE2  HIS  22           2HE      HIS  22   9.810   6.718   4.048
  185    H    ASP  23           H        ASP  23  15.730   3.154   1.748
  186    HA   ASP  23           HA       ASP  23  16.734   3.452  -0.851
  187    HB2  ASP  23           2HB      ASP  23  18.065   3.398   1.296
  188    HB3  ASP  23           1HB      ASP  23  17.895   1.646   1.275
  189    H    ARG  24           H        ARG  24  15.865   0.460   0.909
  190    HA   ARG  24           HA       ARG  24  16.595  -1.184  -1.334
  191    HB2  ARG  24           2HB      ARG  24  15.262  -1.766   1.302
  192    HB3  ARG  24           1HB      ARG  24  15.430  -3.001   0.069
  193    HG2  ARG  24           2HG      ARG  24  17.194  -3.256   1.661
  194    HG3  ARG  24           1HG      ARG  24  17.890  -2.677   0.147
  195    HD2  ARG  24           2HD      ARG  24  18.239  -0.528   0.998
  196    HD3  ARG  24           1HD      ARG  24  17.118  -0.778   2.334
  197    HE   ARG  24           HE       ARG  24  19.318  -2.570   2.507
  198   HH11  ARG  24          1HH1      ARG  24  18.469   0.784   2.963
  199   HH12  ARG  24          2HH1      ARG  24  19.599   1.049   4.255
  200   HH21  ARG  24          1HH2      ARG  24  20.824  -2.241   4.229
  201   HH22  ARG  24          2HH2      ARG  24  20.922  -0.683   4.989
  202    H    LEU  25           H        LEU  25  13.548   0.003   0.013
  203    HA   LEU  25           HA       LEU  25  11.864  -1.573  -1.610
  204    HB2  LEU  25           2HB      LEU  25  11.371   1.103  -0.310
  205    HB3  LEU  25           1HB      LEU  25  10.134   0.174  -1.134
  206    HG   LEU  25           HG       LEU  25  11.635  -0.709   1.333
  207   HD11  LEU  25          1HD1      LEU  25   9.484  -0.435   2.455
  208   HD12  LEU  25          2HD1      LEU  25   8.779   0.180   0.960
  209   HD13  LEU  25          3HD1      LEU  25  10.050   1.091   1.775
  210   HD21  LEU  25          3HD2      LEU  25  10.028  -2.566   1.366
  211   HD22  LEU  25          1HD2      LEU  25  11.046  -2.604  -0.073
  212   HD23  LEU  25          2HD2      LEU  25   9.384  -2.026  -0.183
  213    H    MET  26           H        MET  26  13.195   1.699  -2.051
  214    HA   MET  26           HA       MET  26  11.783   2.159  -4.464
  215    HB2  MET  26           2HB      MET  26  14.215   3.497  -3.296
  216    HB3  MET  26           1HB      MET  26  13.449   4.027  -4.790
  217    HG2  MET  26           2HG      MET  26  12.130   3.884  -2.085
  218    HG3  MET  26           1HG      MET  26  12.720   5.350  -2.870
  219    HE1  MET  26           3HE      MET  26  11.874   4.752  -5.922
  220    HE2  MET  26           1HE      MET  26  11.670   6.321  -5.143
  221    HE3  MET  26           2HE      MET  26  10.313   5.571  -5.986
  222    H    GLU  27           H        GLU  27  14.808   0.563  -3.772
  223    HA   GLU  27           HA       GLU  27  15.747   0.439  -6.440
  224    HB2  GLU  27           2HB      GLU  27  17.073  -0.223  -4.411
  225    HB3  GLU  27           1HB      GLU  27  16.079  -1.667  -4.292
  226    HG2  GLU  27           2HG      GLU  27  18.044  -2.351  -5.357
  227    HG3  GLU  27           1HG      GLU  27  16.841  -2.224  -6.638
  228    H    ILE  28           H        ILE  28  13.726  -1.735  -4.515
  229    HA   ILE  28           HA       ILE  28  13.117  -3.554  -6.609
  230    HB   ILE  28           HB       ILE  28  11.527  -2.914  -4.113
  231   HG12  ILE  28          2HG1      ILE  28  13.564  -5.093  -4.634
  232   HG13  ILE  28          1HG1      ILE  28  13.865  -3.641  -3.686
  233   HG21  ILE  28          1HG2      ILE  28  11.413  -5.310  -5.943
  234   HG22  ILE  28          2HG2      ILE  28  10.167  -4.075  -5.757
  235   HG23  ILE  28          3HG2      ILE  28  10.551  -5.148  -4.412
  236   HD11  ILE  28          3HD1      ILE  28  11.902  -5.827  -3.025
  237   HD12  ILE  28          1HD1      ILE  28  12.153  -4.359  -2.081
  238   HD13  ILE  28          2HD1      ILE  28  13.457  -5.535  -2.244
  239    H    ALA  29           H        ALA  29  11.835  -0.506  -5.605
  240    HA   ALA  29           HA       ALA  29   9.368  -0.523  -6.949
  241    HB1  ALA  29           1HB      ALA  29   9.415   1.898  -6.666
  242    HB2  ALA  29           2HB      ALA  29  11.129   1.826  -6.255
  243    HB3  ALA  29           3HB      ALA  29   9.934   1.081  -5.193
  244    H    LYS  30           H        LYS  30  12.633   0.138  -8.020
  245    HA   LYS  30           HA       LYS  30  11.830   1.165 -10.574
  246    HB2  LYS  30           2HB      LYS  30  14.443   0.152  -9.482
  247    HB3  LYS  30           1HB      LYS  30  14.260   0.579 -11.178
  248    HG2  LYS  30           2HG      LYS  30  13.558   2.858 -10.450
  249    HG3  LYS  30           1HG      LYS  30  13.954   2.390  -8.793
  250    HD2  LYS  30           2HD      LYS  30  16.254   1.936  -9.460
  251    HD3  LYS  30           1HD      LYS  30  15.866   2.364 -11.126
  252    HE2  LYS  30           2HE      LYS  30  15.327   4.643 -10.397
  253    HE3  LYS  30           1HE      LYS  30  15.736   4.205  -8.738
  254    HZ1  LYS  30           3HZ      LYS  30  17.998   3.640  -9.574
  255    HZ2  LYS  30           1HZ      LYS  30  17.610   5.289  -9.690
  256    HZ3  LYS  30           2HZ      LYS  30  17.569   4.311 -11.071
  257    H    GLU  31           H        GLU  31  12.783  -1.947  -9.273
  258    HA   GLU  31           HA       GLU  31  12.918  -3.374 -11.679
  259    HB2  GLU  31           2HB      GLU  31  11.960  -4.498  -9.047
  260    HB3  GLU  31           1HB      GLU  31  12.732  -5.369 -10.363
  261    HG2  GLU  31           2HG      GLU  31  14.811  -4.189  -9.947
  262    HG3  GLU  31           1HG      GLU  31  14.043  -3.271  -8.650
  263    H    LYS  32           H        LYS  32  10.198  -2.733  -9.506
  264    HA   LYS  32           HA       LYS  32   8.419  -4.299 -11.219
  265    HB2  LYS  32           2HB      LYS  32   8.180  -3.227  -8.423
  266    HB3  LYS  32           1HB      LYS  32   6.758  -3.765  -9.305
  267    HG2  LYS  32           2HG      LYS  32   7.604  -5.519  -7.844
  268    HG3  LYS  32           1HG      LYS  32   7.729  -5.992  -9.537
  269    HD2  LYS  32           2HD      LYS  32  10.099  -5.460  -9.538
  270    HD3  LYS  32           1HD      LYS  32   9.991  -4.886  -7.874
  271    HE2  LYS  32           2HE      LYS  32   9.470  -7.092  -7.088
  272    HE3  LYS  32           1HE      LYS  32   9.351  -7.697  -8.741
  273    HZ1  LYS  32           3HZ      LYS  32  11.477  -8.205  -7.546
  274    HZ2  LYS  32           1HZ      LYS  32  11.858  -6.553  -7.627
  275    HZ3  LYS  32           2HZ      LYS  32  11.664  -7.452  -9.054
  276    H    ASN  33           H        ASN  33   9.404  -1.167 -11.002
  277    HA   ASN  33           HA       ASN  33   8.684   0.816 -11.809
  278    HB2  ASN  33           2HB      ASN  33   6.869  -1.004 -13.394
  279    HB3  ASN  33           1HB      ASN  33   6.930   0.740 -13.639
  280   HD21  ASN  33          1HD2      ASN  33   8.602  -2.270 -14.016
  281   HD22  ASN  33          2HD2      ASN  33   9.875  -1.678 -15.034
  282    H    LEU  34           H        LEU  34   7.811   0.291  -9.374
  283    HA   LEU  34           HA       LEU  34   5.139   1.515  -9.267
  284    HB2  LEU  34           2HB      LEU  34   6.142  -0.775  -7.559
  285    HB3  LEU  34           1HB      LEU  34   4.673   0.128  -7.239
  286    HG   LEU  34           HG       LEU  34   5.171  -1.531  -9.712
  287   HD11  LEU  34          1HD1      LEU  34   3.568  -3.093  -8.746
  288   HD12  LEU  34          2HD1      LEU  34   3.479  -2.109  -7.285
  289   HD13  LEU  34          3HD1      LEU  34   4.986  -2.918  -7.711
  290   HD21  LEU  34          3HD2      LEU  34   2.701  -0.130  -8.703
  291   HD22  LEU  34          1HD2      LEU  34   2.764  -1.215 -10.092
  292   HD23  LEU  34          2HD2      LEU  34   3.649   0.312 -10.123
  293    H    THR  35           H        THR  35   4.799   2.511  -7.002
  294    HA   THR  35           HA       THR  35   7.389   3.530  -6.036
  295    HB   THR  35           HB       THR  35   6.212   5.365  -5.007
  296    HG1  THR  35           1HG      THR  35   3.783   4.182  -5.961
  297   HG21  THR  35          3HG2      THR  35   5.155   4.894  -7.796
  298   HG22  THR  35          1HG2      THR  35   6.709   5.618  -7.384
  299   HG23  THR  35          2HG2      THR  35   5.211   6.450  -6.966
  300    H    LEU  36           H        LEU  36   7.639   3.761  -3.675
  301    HA   LEU  36           HA       LEU  36   7.178   1.335  -2.372
  302    HB2  LEU  36           2HB      LEU  36   8.143   2.289  -0.444
  303    HB3  LEU  36           1HB      LEU  36   8.958   3.007  -1.817
  304    HG   LEU  36           HG       LEU  36   6.751   4.388  -0.291
  305   HD11  LEU  36          1HD1      LEU  36   9.736   4.622   0.031
  306   HD12  LEU  36          2HD1      LEU  36   8.605   3.955   1.208
  307   HD13  LEU  36          3HD1      LEU  36   8.539   5.669   0.791
  308   HD21  LEU  36          3HD2      LEU  36   7.076   5.264  -2.529
  309   HD22  LEU  36          1HD2      LEU  36   8.814   5.394  -2.252
  310   HD23  LEU  36          2HD2      LEU  36   7.696   6.410  -1.340
  311    H    SER  37           H        SER  37   5.382   4.348  -2.318
  312    HA   SER  37           HA       SER  37   3.535   3.831  -0.312
  313    HB2  SER  37           2HB      SER  37   2.967   5.216  -2.944
  314    HB3  SER  37           1HB      SER  37   2.149   5.480  -1.404
  315    HG   SER  37           HG       SER  37   3.597   7.086  -1.491
  316    H    ASP  38           H        ASP  38   3.487   2.918  -3.736
  317    HA   ASP  38           HA       ASP  38   0.960   1.659  -3.726
  318    HB2  ASP  38           2HB      ASP  38   3.376   1.216  -5.493
  319    HB3  ASP  38           1HB      ASP  38   1.815   0.453  -5.767
  320    H    VAL  39           H        VAL  39   4.224   0.514  -3.100
  321    HA   VAL  39           HA       VAL  39   3.644  -2.231  -2.977
  322    HB   VAL  39           HB       VAL  39   5.819  -0.720  -1.515
  323   HG11  VAL  39          1HG1      VAL  39   5.515  -2.933  -0.578
  324   HG12  VAL  39          2HG1      VAL  39   7.007  -2.879  -1.517
  325   HG13  VAL  39          3HG1      VAL  39   5.569  -3.650  -2.188
  326   HG21  VAL  39          3HG2      VAL  39   7.245  -1.366  -3.408
  327   HG22  VAL  39          1HG2      VAL  39   5.911  -0.328  -3.913
  328   HG23  VAL  39          2HG2      VAL  39   5.842  -2.064  -4.216
  329    H    CYS  40           H        CYS  40   3.478   0.303  -0.502
  330    HA   CYS  40           HA       CYS  40   3.203  -1.532   1.651
  331    HB2  CYS  40           2HB      CYS  40   2.410   1.386   1.667
  332    HB3  CYS  40           1HB      CYS  40   2.789   0.378   3.055
  333    HG   CYS  40           HG       CYS  40   5.086   1.175   0.647
  334    H    ARG  41           H        ARG  41   0.733   0.649   0.208
  335    HA   ARG  41           HA       ARG  41  -1.435  -0.534   1.425
  336    HB2  ARG  41           2HB      ARG  41  -2.767   0.307  -0.531
  337    HB3  ARG  41           1HB      ARG  41  -1.776   1.504   0.280
  338    HG2  ARG  41           2HG      ARG  41  -1.294   2.058  -1.846
  339    HG3  ARG  41           1HG      ARG  41  -0.069   0.810  -1.628
  340    HD2  ARG  41           2HD      ARG  41  -1.452  -0.817  -2.736
  341    HD3  ARG  41           1HD      ARG  41  -2.798   0.328  -2.817
  342    HE   ARG  41           HE       ARG  41  -0.552   1.448  -4.085
  343   HH11  ARG  41          1HH1      ARG  41  -2.977  -1.026  -4.593
  344   HH12  ARG  41          2HH1      ARG  41  -2.811  -1.002  -6.321
  345   HH21  ARG  41          1HH2      ARG  41  -0.363   1.514  -6.343
  346   HH22  ARG  41          2HH2      ARG  41  -1.334   0.439  -7.316
  347    H    LEU  42           H        LEU  42   0.274  -1.627  -1.503
  348    HA   LEU  42           HA       LEU  42  -1.537  -3.746  -2.071
  349    HB2  LEU  42           2HB      LEU  42   1.369  -3.328  -2.732
  350    HB3  LEU  42           1HB      LEU  42   0.503  -4.772  -3.218
  351    HG   LEU  42           HG       LEU  42  -0.247  -1.961  -4.016
  352   HD11  LEU  42          1HD1      LEU  42   0.596  -2.557  -6.216
  353   HD12  LEU  42          2HD1      LEU  42   1.079  -4.144  -5.621
  354   HD13  LEU  42          3HD1      LEU  42   1.876  -2.695  -5.010
  355   HD21  LEU  42          3HD2      LEU  42  -2.157  -3.479  -3.915
  356   HD22  LEU  42          1HD2      LEU  42  -1.295  -4.643  -4.923
  357   HD23  LEU  42          2HD2      LEU  42  -1.759  -3.077  -5.586
  358    H    ALA  43           H        ALA  43   1.135  -3.352   0.098
  359    HA   ALA  43           HA       ALA  43   1.422  -6.081   0.777
  360    HB1  ALA  43           1HB      ALA  43   2.248  -3.660   2.351
  361    HB2  ALA  43           2HB      ALA  43   3.203  -4.431   1.085
  362    HB3  ALA  43           3HB      ALA  43   2.837  -5.310   2.567
  363    H    ILE  44           H        ILE  44  -0.633  -3.494   1.862
  364    HA   ILE  44           HA       ILE  44  -1.499  -4.650   4.296
  365    HB   ILE  44           HB       ILE  44  -2.969  -2.755   2.446
  366   HG12  ILE  44          2HG1      ILE  44  -1.356  -2.208   4.948
  367   HG13  ILE  44          1HG1      ILE  44  -0.837  -1.856   3.302
  368   HG21  ILE  44          1HG2      ILE  44  -3.523  -3.461   5.325
  369   HG22  ILE  44          2HG2      ILE  44  -4.504  -3.919   3.934
  370   HG23  ILE  44          3HG2      ILE  44  -4.361  -2.222   4.389
  371   HD11  ILE  44          3HD1      ILE  44  -2.691  -0.275   3.062
  372   HD12  ILE  44          1HD1      ILE  44  -1.628   0.151   4.404
  373   HD13  ILE  44          2HD1      ILE  44  -3.187  -0.612   4.721
  374    H    LYS  45           H        LYS  45  -2.674  -4.729   0.983
  375    HA   LYS  45           HA       LYS  45  -4.909  -6.344   1.363
  376    HB2  LYS  45           2HB      LYS  45  -4.316  -5.082  -0.720
  377    HB3  LYS  45           1HB      LYS  45  -3.096  -6.301  -1.057
  378    HG2  LYS  45           2HG      LYS  45  -4.859  -8.009  -1.161
  379    HG3  LYS  45           1HG      LYS  45  -6.066  -6.749  -0.888
  380    HD2  LYS  45           2HD      LYS  45  -5.215  -5.597  -2.933
  381    HD3  LYS  45           1HD      LYS  45  -4.187  -7.000  -3.234
  382    HE2  LYS  45           2HE      LYS  45  -6.191  -7.188  -4.552
  383    HE3  LYS  45           1HE      LYS  45  -6.211  -8.419  -3.288
  384    HZ1  LYS  45           3HZ      LYS  45  -7.621  -5.808  -3.105
  385    HZ2  LYS  45           1HZ      LYS  45  -7.737  -7.107  -2.017
  386    HZ3  LYS  45           2HZ      LYS  45  -8.355  -7.260  -3.589
  387    H    GLU  46           H        GLU  46  -1.517  -7.119   0.930
  388    HA   GLU  46           HA       GLU  46  -1.791  -9.943   0.738
  389    HB2  GLU  46           2HB      GLU  46   0.228  -8.878  -0.048
  390    HB3  GLU  46           1HB      GLU  46   0.512  -8.138   1.519
  391    HG2  GLU  46           2HG      GLU  46   2.048  -9.909   1.321
  392    HG3  GLU  46           1HG      GLU  46   0.802 -10.458   2.440
  393    H    TYR  47           H        TYR  47  -1.231  -7.662   3.349
  394    HA   TYR  47           HA       TYR  47  -0.716  -9.505   5.385
  395    HB2  TYR  47           2HB      TYR  47  -0.255  -7.046   5.465
  396    HB3  TYR  47           1HB      TYR  47  -1.980  -6.770   5.659
  397    HD1  TYR  47           2HD      TYR  47   1.073  -7.980   7.266
  398    HD2  TYR  47           1HD      TYR  47  -3.086  -7.241   7.782
  399    HE1  TYR  47           2HE      TYR  47   1.346  -8.201   9.694
  400    HE2  TYR  47           1HE      TYR  47  -2.823  -7.458  10.220
  401    HH   TYR  47           HH       TYR  47   0.239  -7.512  11.746
  402    H    LEU  48           H        LEU  48  -3.715  -7.903   4.399
  403    HA   LEU  48           HA       LEU  48  -5.324  -9.008   6.447
  404    HB2  LEU  48           2HB      LEU  48  -6.236  -7.997   3.756
  405    HB3  LEU  48           1HB      LEU  48  -7.212  -8.154   5.201
  406    HG   LEU  48           HG       LEU  48  -4.966  -6.194   4.746
  407   HD11  LEU  48          1HD1      LEU  48  -7.041  -5.629   3.609
  408   HD12  LEU  48          2HD1      LEU  48  -6.727  -4.519   4.944
  409   HD13  LEU  48          3HD1      LEU  48  -7.928  -5.798   5.125
  410   HD21  LEU  48          3HD2      LEU  48  -6.641  -6.678   7.206
  411   HD22  LEU  48          1HD2      LEU  48  -5.571  -5.295   6.964
  412   HD23  LEU  48          2HD2      LEU  48  -4.903  -6.924   7.046
  413    H    ASP  49           H        ASP  49  -5.114  -9.794   2.982
  414    HA   ASP  49           HA       ASP  49  -7.088 -11.810   3.102
  415    HB2  ASP  49           2HB      ASP  49  -6.433 -10.550   1.054
  416    HB3  ASP  49           1HB      ASP  49  -4.938 -11.480   1.008
  417    H    ASN  50           H        ASN  50  -3.632 -11.911   3.562
  418    HA   ASN  50           HA       ASN  50  -3.382 -14.735   3.093
  419    HB2  ASN  50           2HB      ASN  50  -1.572 -12.996   2.755
  420    HB3  ASN  50           1HB      ASN  50  -1.426 -12.915   4.503
  421   HD21  ASN  50          1HD2      ASN  50   0.486 -13.666   2.442
  422   HD22  ASN  50          2HD2      ASN  50   1.058 -15.243   2.896
  423    H    HIS  51           H        HIS  51  -3.477 -12.663   5.986
  424    HA   HIS  51           HA       HIS  51  -3.283 -15.042   7.666
  425    HB2  HIS  51           2HB      HIS  51  -3.113 -12.102   8.289
  426    HB3  HIS  51           1HB      HIS  51  -3.244 -13.319   9.557
  427    HD1  HIS  51           1HD      HIS  51  -1.123 -14.415  10.290
  428    HD2  HIS  51           2HD      HIS  51  -0.696 -12.412   6.666
  429    HE1  HIS  51           1HE      HIS  51   1.327 -14.525   9.731
  430    HE2  HIS  51           2HE      HIS  51   1.590 -13.126   7.653
  431    H    ASP  52           H        ASP  52  -5.654 -13.306   6.213
  432    HA   ASP  52           HA       ASP  52  -7.898 -13.392   6.259
  433    HB2  ASP  52           2HB      ASP  52  -7.557 -15.775   6.590
  434    HB3  ASP  52           1HB      ASP  52  -7.456 -15.542   8.329
  435    H    LYS  53           H        LYS  53  -9.719 -12.642   7.331
  436    HA   LYS  53           HA       LYS  53  -9.722 -11.888  10.092
  437    HB2  LYS  53           2HB      LYS  53  -8.749  -9.987   8.142
  438    HB3  LYS  53           1HB      LYS  53 -10.251  -9.407   8.844
  439    HG2  LYS  53           2HG      LYS  53  -8.021 -10.381  10.587
  440    HG3  LYS  53           1HG      LYS  53  -8.020  -8.742   9.938
  441    HD2  LYS  53           2HD      LYS  53 -10.305  -9.909  11.525
  442    HD3  LYS  53           1HD      LYS  53  -8.990  -8.978  12.245
  443    HE2  LYS  53           2HE      LYS  53  -9.584  -7.129  10.626
  444    HE3  LYS  53           1HE      LYS  53 -11.033  -8.051  10.237
  445    HZ1  LYS  53           3HZ      LYS  53 -10.304  -6.957  12.911
  446    HZ2  LYS  53           1HZ      LYS  53 -11.660  -7.931  12.603
  447    HZ3  LYS  53           2HZ      LYS  53 -11.538  -6.399  11.891
  448    H    GLN  54           H        GLN  54 -11.112 -10.691   7.050
  449    HA   GLN  54           HA       GLN  54 -13.789 -11.379   8.018
  450    HB2  GLN  54           2HB      GLN  54 -12.948  -9.823   5.560
  451    HB3  GLN  54           1HB      GLN  54 -14.604 -10.089   6.084
  452    HG2  GLN  54           2HG      GLN  54 -14.143  -8.818   8.133
  453    HG3  GLN  54           1HG      GLN  54 -12.501  -8.522   7.560
  454   HE21  GLN  54          1HE2      GLN  54 -12.172  -7.112   5.832
  455   HE22  GLN  54          2HE2      GLN  54 -13.393  -6.013   5.301
  456    H    LYS  55           H        LYS  55 -14.825 -13.146   7.231
  457    HA   LYS  55           HA       LYS  55 -13.529 -14.762   5.220
  458    HB2  LYS  55           2HB      LYS  55 -16.271 -15.187   6.420
  459    HB3  LYS  55           1HB      LYS  55 -15.269 -16.379   5.607
  460    HG2  LYS  55           2HG      LYS  55 -14.794 -15.124   8.303
  461    HG3  LYS  55           1HG      LYS  55 -15.191 -16.803   7.953
  462    HD2  LYS  55           2HD      LYS  55 -12.645 -15.387   7.160
  463    HD3  LYS  55           1HD      LYS  55 -12.817 -16.527   8.493
  464    HE2  LYS  55           2HE      LYS  55 -13.396 -18.297   6.922
  465    HE3  LYS  55           1HE      LYS  55 -13.274 -17.161   5.578
  466    HZ1  LYS  55           3HZ      LYS  55 -10.899 -16.800   6.368
  467    HZ2  LYS  55           1HZ      LYS  55 -11.236 -18.285   5.613
  468    HZ3  LYS  55           2HZ      LYS  55 -11.100 -18.203   7.299
  469    H    LYS  56           H        LYS  56 -13.550 -13.468   3.406
  470    HA   LYS  56           HA       LYS  56 -14.260 -12.316   1.601
  471    HB2  LYS  56           2HB      LYS  56 -16.872 -13.741   2.127
  472    HB3  LYS  56           1HB      LYS  56 -16.619 -12.661   0.767
  473    HG2  LYS  56           2HG      LYS  56 -16.249 -14.714  -0.184
  474    HG3  LYS  56           1HG      LYS  56 -14.609 -14.220   0.237
  475    HD2  LYS  56           2HD      LYS  56 -14.718 -16.429   0.961
  476    HD3  LYS  56           1HD      LYS  56 -15.013 -15.501   2.430
  477    HE2  LYS  56           2HE      LYS  56 -17.169 -16.698   0.693
  478    HE3  LYS  56           1HE      LYS  56 -16.528 -17.451   2.148
  479    HZ1  LYS  56           3HZ      LYS  56 -17.225 -15.262   3.270
  480    HZ2  LYS  56           1HZ      LYS  56 -18.431 -16.388   2.872
  481    HZ3  LYS  56           2HZ      LYS  56 -18.188 -15.023   1.899
  482    H1   GLY   2           1HT      GLY   2  24.292  17.404   6.851
  483    H2   GLY   2           2HT      GLY   2  24.175  17.491   8.538
  484    H3   GLY   2           3HT      GLY   2  23.716  18.817   7.590
  485    HA2  GLY   2           1HA      GLY   2  21.777  17.634   8.407
  486    HA3  GLY   2           2HA      GLY   2  21.886  17.589   6.653
  487    H    ARG   3           H        ARG   3  23.653  15.702   9.093
  488    HA   ARG   3           HA       ARG   3  22.296  13.275   8.163
  489    HB2  ARG   3           2HB      ARG   3  24.459  13.717   6.855
  490    HB3  ARG   3           1HB      ARG   3  25.301  13.403   8.367
  491    HG2  ARG   3           2HG      ARG   3  24.051  11.188   8.411
  492    HG3  ARG   3           1HG      ARG   3  23.645  11.522   6.727
  493    HD2  ARG   3           2HD      ARG   3  25.569  10.268   6.507
  494    HD3  ARG   3           1HD      ARG   3  26.202  11.916   6.471
  495    HE   ARG   3           HE       ARG   3  26.206  11.044   9.125
  496   HH11  ARG   3          1HH1      ARG   3  27.877  10.425   6.108
  497   HH12  ARG   3          2HH1      ARG   3  29.274   9.745   6.884
  498   HH21  ARG   3          1HH2      ARG   3  28.043  10.144  10.146
  499   HH22  ARG   3          2HH2      ARG   3  29.374   9.595   9.169
  500    HA   PRO   4           HA       PRO   4  22.734  13.528  12.806
  501    HB2  PRO   4           2HB      PRO   4  20.320  11.818  12.497
  502    HB3  PRO   4           1HB      PRO   4  20.599  13.188  13.577
  503    HG2  PRO   4           2HG      PRO   4  19.040  13.438  11.430
  504    HG3  PRO   4           1HG      PRO   4  20.120  14.753  11.934
  505    HD2  PRO   4           2HD      PRO   4  20.432  12.789   9.700
  506    HD3  PRO   4           1HD      PRO   4  20.862  14.511   9.758
  507    H    TYR   5           H        TYR   5  21.279  10.586  11.410
  508    HA   TYR   5           HA       TYR   5  23.511   9.045  12.510
  509    HB2  TYR   5           2HB      TYR   5  20.832   8.142  11.427
  510    HB3  TYR   5           1HB      TYR   5  22.095   7.050  11.988
  511    HD1  TYR   5           1HD      TYR   5  22.746   7.051  14.386
  512    HD2  TYR   5           2HD      TYR   5  19.418   9.282  12.960
  513    HE1  TYR   5           1HE      TYR   5  21.904   7.251  16.686
  514    HE2  TYR   5           2HE      TYR   5  18.566   9.493  15.255
  515    HH   TYR   5           HH       TYR   5  20.453   8.711  17.993
  516    H    LYS   6           H        LYS   6  21.547   8.364   9.646
  517    HA   LYS   6           HA       LYS   6  23.777   8.953   7.896
  518    HB2  LYS   6           2HB      LYS   6  23.674   6.686   6.829
  519    HB3  LYS   6           1HB      LYS   6  24.369   6.718   8.442
  520    HG2  LYS   6           2HG      LYS   6  22.161   5.977   9.330
  521    HG3  LYS   6           1HG      LYS   6  21.624   5.779   7.659
  522    HD2  LYS   6           2HD      LYS   6  23.526   4.223   7.292
  523    HD3  LYS   6           1HD      LYS   6  23.913   4.352   9.008
  524    HE2  LYS   6           2HE      LYS   6  21.399   3.241   7.775
  525    HE3  LYS   6           1HE      LYS   6  22.643   2.351   8.651
  526    HZ1  LYS   6           3HZ      LYS   6  22.053   3.815  10.606
  527    HZ2  LYS   6           1HZ      LYS   6  20.896   2.660  10.156
  528    HZ3  LYS   6           2HZ      LYS   6  20.680   4.284   9.727
  529    H    LEU   7           H        LEU   7  22.320  10.539   7.253
  530    HA   LEU   7           HA       LEU   7  20.779  11.529   5.951
  531    HB2  LEU   7           2HB      LEU   7  21.066   8.909   4.533
  532    HB3  LEU   7           1HB      LEU   7  19.863  10.068   4.006
  533    HG   LEU   7           HG       LEU   7  21.758  11.749   3.799
  534   HD11  LEU   7          1HD1      LEU   7  23.429   9.252   4.011
  535   HD12  LEU   7          2HD1      LEU   7  23.413  10.597   5.153
  536   HD13  LEU   7          3HD1      LEU   7  24.003  10.843   3.509
  537   HD21  LEU   7          3HD2      LEU   7  22.454  10.879   1.619
  538   HD22  LEU   7          1HD2      LEU   7  20.717  10.708   1.872
  539   HD23  LEU   7          2HD2      LEU   7  21.775   9.307   2.036
  540    H    LEU   8           H        LEU   8  19.742  11.015   8.202
  541    HA   LEU   8           HA       LEU   8  17.754  11.074   9.264
  542    HB2  LEU   8           2HB      LEU   8  16.592  10.565   6.528
  543    HB3  LEU   8           1HB      LEU   8  15.665  10.999   7.951
  544    HG   LEU   8           HG       LEU   8  17.779  12.738   6.672
  545   HD11  LEU   8          1HD1      LEU   8  14.772  12.899   6.572
  546   HD12  LEU   8          2HD1      LEU   8  15.846  12.510   5.228
  547   HD13  LEU   8          3HD1      LEU   8  15.884  14.120   5.948
  548   HD21  LEU   8          3HD2      LEU   8  17.577  13.154   9.053
  549   HD22  LEU   8          1HD2      LEU   8  15.825  13.287   8.903
  550   HD23  LEU   8          2HD2      LEU   8  16.868  14.486   8.140
  551    H    ASN   9           H        ASN   9  16.482   9.711  10.401
  552    HA   ASN   9           HA       ASN   9  16.859   6.867   9.893
  553    HB2  ASN   9           2HB      ASN   9  15.866   6.540  12.138
  554    HB3  ASN   9           1HB      ASN   9  17.276   7.587  12.162
  555   HD21  ASN   9          1HD2      ASN   9  16.724   8.533  14.078
  556   HD22  ASN   9          2HD2      ASN   9  15.404   9.634  14.245
  557    H    GLY  10           H        GLY  10  14.681   9.132   8.939
  558    HA2  GLY  10           2HA      GLY  10  12.713   7.138   8.263
  559    HA3  GLY  10           1HA      GLY  10  12.153   8.284   9.471
  560    H    ILE  11           H        ILE  11  11.432   7.711   6.601
  561    HA   ILE  11           HA       ILE  11  11.659  10.470   5.567
  562    HB   ILE  11           HB       ILE  11  11.512   8.008   3.821
  563   HG12  ILE  11          2HG1      ILE  11  13.613   7.959   5.133
  564   HG13  ILE  11          1HG1      ILE  11  13.891   8.168   3.408
  565   HG21  ILE  11          1HG2      ILE  11  10.766  10.020   2.736
  566   HG22  ILE  11          2HG2      ILE  11  12.331   9.551   2.074
  567   HG23  ILE  11          3HG2      ILE  11  12.226  10.873   3.236
  568   HD11  ILE  11          3HD1      ILE  11  15.367   9.579   4.716
  569   HD12  ILE  11          1HD1      ILE  11  13.978  10.333   5.499
  570   HD13  ILE  11          2HD1      ILE  11  14.247  10.564   3.773
  571    H    LYS  12           H        LYS  12   9.803  11.108   4.209
  572    HA   LYS  12           HA       LYS  12   7.345   9.886   5.244
  573    HB2  LYS  12           2HB      LYS  12   7.622  12.271   5.674
  574    HB3  LYS  12           1HB      LYS  12   7.856  12.578   3.961
  575    HG2  LYS  12           2HG      LYS  12   5.664  13.232   4.365
  576    HG3  LYS  12           1HG      LYS  12   5.503  11.627   3.652
  577    HD2  LYS  12           2HD      LYS  12   5.227  10.663   5.884
  578    HD3  LYS  12           1HD      LYS  12   5.409  12.265   6.601
  579    HE2  LYS  12           2HE      LYS  12   3.420  12.938   5.127
  580    HE3  LYS  12           1HE      LYS  12   3.165  11.208   4.907
  581    HZ1  LYS  12           3HZ      LYS  12   3.113  12.721   7.463
  582    HZ2  LYS  12           1HZ      LYS  12   3.078  11.029   7.379
  583    HZ3  LYS  12           2HZ      LYS  12   1.811  11.936   6.715
  584    H    LEU  13           H        LEU  13   5.939   8.894   3.984
  585    HA   LEU  13           HA       LEU  13   6.085   9.239   1.079
  586    HB2  LEU  13           2HB      LEU  13   5.622   6.765   0.870
  587    HB3  LEU  13           1HB      LEU  13   7.242   7.197   1.372
  588    HG   LEU  13           HG       LEU  13   5.189   6.478   3.438
  589   HD11  LEU  13          1HD1      LEU  13   5.926   4.145   3.293
  590   HD12  LEU  13          2HD1      LEU  13   6.868   4.535   1.853
  591   HD13  LEU  13          3HD1      LEU  13   5.108   4.663   1.818
  592   HD21  LEU  13          3HD2      LEU  13   7.218   5.683   4.623
  593   HD22  LEU  13          1HD2      LEU  13   7.278   7.407   4.242
  594   HD23  LEU  13          2HD2      LEU  13   8.196   6.252   3.272
  595    H    GLY  14           H        GLY  14   4.072   8.441   0.011
  596    HA2  GLY  14           2HA      GLY  14   1.749   8.500   1.789
  597    HA3  GLY  14           1HA      GLY  14   1.893   9.765   0.579
  598    H    VAL  15           H        VAL  15  -0.109   7.641   0.951
  599    HA   VAL  15           HA       VAL  15   0.105   6.364  -1.698
  600    HB   VAL  15           HB       VAL  15  -1.214   4.983   0.635
  601   HG11  VAL  15          1HG1      VAL  15  -0.769   2.964  -0.690
  602   HG12  VAL  15          2HG1      VAL  15  -0.045   3.966  -1.948
  603   HG13  VAL  15          3HG1      VAL  15  -1.757   4.139  -1.562
  604   HG21  VAL  15          3HG2      VAL  15   0.826   3.670   0.990
  605   HG22  VAL  15          1HG2      VAL  15   1.062   5.377   1.364
  606   HG23  VAL  15          2HG2      VAL  15   1.685   4.710  -0.146
  607    H    TYR  16           H        TYR  16  -2.047   5.695  -2.552
  608    HA   TYR  16           HA       TYR  16  -4.315   7.085  -1.305
  609    HB2  TYR  16           2HB      TYR  16  -3.495   7.054  -4.180
  610    HB3  TYR  16           1HB      TYR  16  -5.214   7.057  -3.789
  611    HD1  TYR  16           1HD      TYR  16  -5.994   8.854  -2.115
  612    HD2  TYR  16           2HD      TYR  16  -2.361   9.085  -4.305
  613    HE1  TYR  16           1HE      TYR  16  -5.953  11.272  -1.758
  614    HE2  TYR  16           2HE      TYR  16  -2.305  11.520  -3.964
  615    HH   TYR  16           HH       TYR  16  -3.753  13.351  -3.434
  616    H    ILE  17           H        ILE  17  -5.839   5.749  -0.690
  617    HA   ILE  17           HA       ILE  17  -6.294   3.278  -2.193
  618    HB   ILE  17           HB       ILE  17  -6.546   1.985  -0.087
  619   HG12  ILE  17          2HG1      ILE  17  -5.251   4.415   1.168
  620   HG13  ILE  17          1HG1      ILE  17  -6.892   3.849   1.461
  621   HG21  ILE  17          1HG2      ILE  17  -4.528   1.791  -1.416
  622   HG22  ILE  17          2HG2      ILE  17  -4.145   1.665   0.300
  623   HG23  ILE  17          3HG2      ILE  17  -3.813   3.162  -0.570
  624   HD11  ILE  17          3HD1      ILE  17  -4.377   2.347   2.143
  625   HD12  ILE  17          1HD1      ILE  17  -6.027   1.819   2.474
  626   HD13  ILE  17          2HD1      ILE  17  -5.381   3.253   3.275
  627    HA   PRO  18           HA       PRO  18 -10.566   4.157  -2.000
  628    HB2  PRO  18           2HB      PRO  18 -10.997   1.341  -1.147
  629    HB3  PRO  18           1HB      PRO  18 -11.662   2.212  -2.531
  630    HG2  PRO  18           2HG      PRO  18  -9.736   0.408  -2.861
  631    HG3  PRO  18           1HG      PRO  18  -9.753   1.907  -3.811
  632    HD2  PRO  18           2HD      PRO  18  -8.061   1.171  -1.457
  633    HD3  PRO  18           1HD      PRO  18  -7.634   2.093  -2.915
  634    H    GLN  19           H        GLN  19 -12.375   4.415  -0.640
  635    HA   GLN  19           HA       GLN  19 -11.798   4.867   2.094
  636    HB2  GLN  19           2HB      GLN  19 -13.940   5.763   2.251
  637    HB3  GLN  19           1HB      GLN  19 -13.566   5.983   0.548
  638    HG2  GLN  19           2HG      GLN  19 -15.585   5.085   0.222
  639    HG3  GLN  19           1HG      GLN  19 -14.755   3.554   0.496
  640   HE21  GLN  19          1HE2      GLN  19 -16.482   2.474   1.367
  641   HE22  GLN  19          2HE2      GLN  19 -17.193   2.898   2.892
  642    H    GLU  20           H        GLU  20 -13.008   2.153   0.336
  643    HA   GLU  20           HA       GLU  20 -14.200   0.605   2.308
  644    HB2  GLU  20           2HB      GLU  20 -12.337  -0.348   0.117
  645    HB3  GLU  20           1HB      GLU  20 -13.483  -1.345   0.998
  646    HG2  GLU  20           2HG      GLU  20 -14.146   0.919  -0.865
  647    HG3  GLU  20           1HG      GLU  20 -14.348  -0.803  -1.184
  648    H    TRP  21           H        TRP  21 -10.840   1.197   1.569
  649    HA   TRP  21           HA       TRP  21  -9.782  -0.725   3.401
  650    HB2  TRP  21           2HB      TRP  21  -8.584   1.648   1.967
  651    HB3  TRP  21           1HB      TRP  21  -7.655   0.611   3.038
  652    HD1  TRP  21           HD       TRP  21 -10.116  -0.622   0.283
  653    HE1  TRP  21           1HE      TRP  21  -8.730  -2.013  -1.395
  654    HE3  TRP  21           3HE      TRP  21  -5.514   0.104   2.308
  655    HZ2  TRP  21           2HZ      TRP  21  -5.979  -2.688  -1.790
  656    HZ3  TRP  21           3HZ      TRP  21  -3.560  -0.915   1.245
  657    HH2  TRP  21           HH       TRP  21  -3.769  -2.268  -0.752
  658    H    HIS  22           H        HIS  22 -10.108   2.797   3.315
  659    HA   HIS  22           HA       HIS  22  -8.844   3.334   5.731
  660    HB2  HIS  22           2HB      HIS  22 -10.852   4.831   4.098
  661    HB3  HIS  22           1HB      HIS  22 -10.404   5.433   5.695
  662    HD1  HIS  22           1HD      HIS  22  -8.263   6.715   5.876
  663    HD2  HIS  22           2HD      HIS  22  -8.610   4.672   2.262
  664    HE1  HIS  22           1HE      HIS  22  -6.324   7.485   4.467
  665    HE2  HIS  22           2HE      HIS  22  -6.621   6.328   2.249
  666    H    ASP  23           H        ASP  23 -12.335   2.854   5.129
  667    HA   ASP  23           HA       ASP  23 -13.150   3.312   7.768
  668    HB2  ASP  23           2HB      ASP  23 -14.748   3.219   5.927
  669    HB3  ASP  23           1HB      ASP  23 -14.412   1.503   5.698
  670    H    ARG  24           H        ARG  24 -12.338   0.217   6.174
  671    HA   ARG  24           HA       ARG  24 -12.970  -1.278   8.536
  672    HB2  ARG  24           2HB      ARG  24 -11.678  -1.992   5.917
  673    HB3  ARG  24           1HB      ARG  24 -11.731  -3.145   7.240
  674    HG2  ARG  24           2HG      ARG  24 -13.545  -3.578   5.729
  675    HG3  ARG  24           1HG      ARG  24 -14.193  -2.973   7.254
  676    HD2  ARG  24           2HD      ARG  24 -14.657  -0.850   6.320
  677    HD3  ARG  24           1HD      ARG  24 -13.688  -1.190   4.888
  678    HE   ARG  24           HE       ARG  24 -15.917  -2.986   5.252
  679   HH11  ARG  24          1HH1      ARG  24 -14.972   0.136   3.966
  680   HH12  ARG  24          2HH1      ARG  24 -16.171   0.126   2.713
  681   HH21  ARG  24          1HH2      ARG  24 -17.501  -2.991   3.611
  682   HH22  ARG  24          2HH2      ARG  24 -17.597  -1.663   2.500
  683    H    LEU  25           H        LEU  25 -10.004  -0.043   7.089
  684    HA   LEU  25           HA       LEU  25  -8.235  -1.322   8.905
  685    HB2  LEU  25           2HB      LEU  25  -7.917   1.071   7.108
  686    HB3  LEU  25           1HB      LEU  25  -6.626   0.507   8.153
  687    HG   LEU  25           HG       LEU  25  -7.921  -1.083   5.934
  688   HD11  LEU  25          1HD1      LEU  25  -6.519   0.718   5.096
  689   HD12  LEU  25          2HD1      LEU  25  -5.751  -0.845   4.822
  690   HD13  LEU  25          3HD1      LEU  25  -5.195   0.192   6.135
  691   HD21  LEU  25          3HD2      LEU  25  -7.194  -2.494   7.801
  692   HD22  LEU  25          1HD2      LEU  25  -5.588  -1.770   7.722
  693   HD23  LEU  25          2HD2      LEU  25  -6.189  -2.737   6.374
  694    H    MET  26           H        MET  26  -9.981   1.750   8.980
  695    HA   MET  26           HA       MET  26  -8.639   2.885  11.169
  696    HB2  MET  26           2HB      MET  26 -11.443   3.224  10.140
  697    HB3  MET  26           1HB      MET  26 -10.905   4.042  11.598
  698    HG2  MET  26           2HG      MET  26  -9.701   4.335   8.856
  699    HG3  MET  26           1HG      MET  26 -10.758   5.492   9.662
  700    HE1  MET  26           3HE      MET  26  -8.490   6.619  12.690
  701    HE2  MET  26           1HE      MET  26  -9.587   5.238  12.703
  702    HE3  MET  26           2HE      MET  26 -10.081   6.748  11.938
  703    H    GLU  27           H        GLU  27 -11.393   0.663  11.041
  704    HA   GLU  27           HA       GLU  27 -11.818   0.611  13.828
  705    HB2  GLU  27           2HB      GLU  27 -13.478  -0.250  12.271
  706    HB3  GLU  27           1HB      GLU  27 -12.372  -1.522  11.764
  707    HG2  GLU  27           2HG      GLU  27 -12.486  -2.579  13.885
  708    HG3  GLU  27           1HG      GLU  27 -13.356  -1.213  14.583
  709    H    ILE  28           H        ILE  28  -9.800  -1.386  11.719
  710    HA   ILE  28           HA       ILE  28  -8.875  -3.164  13.714
  711    HB   ILE  28           HB       ILE  28  -7.489  -2.291  11.168
  712   HG12  ILE  28          2HG1      ILE  28  -9.244  -4.699  11.711
  713   HG13  ILE  28          1HG1      ILE  28  -9.742  -3.262  10.821
  714   HG21  ILE  28          1HG2      ILE  28  -7.020  -4.715  12.900
  715   HG22  ILE  28          2HG2      ILE  28  -5.939  -3.332  12.736
  716   HG23  ILE  28          3HG2      ILE  28  -6.237  -4.388  11.355
  717   HD11  ILE  28          3HD1      ILE  28  -7.588  -5.205  10.023
  718   HD12  ILE  28          1HD1      ILE  28  -8.010  -3.738   9.140
  719   HD13  ILE  28          2HD1      ILE  28  -9.185  -5.043   9.295
  720    H    ALA  29           H        ALA  29  -7.852  -0.034  12.596
  721    HA   ALA  29           HA       ALA  29  -5.395   0.202  13.928
  722    HB1  ALA  29           1HB      ALA  29  -5.676   2.609  13.590
  723    HB2  ALA  29           2HB      ALA  29  -7.373   2.357  13.181
  724    HB3  ALA  29           3HB      ALA  29  -6.109   1.706  12.138
  725    H    LYS  30           H        LYS  30  -8.695   0.637  14.987
  726    HA   LYS  30           HA       LYS  30  -7.957   1.891  17.475
  727    HB2  LYS  30           2HB      LYS  30 -10.597   0.728  16.564
  728    HB3  LYS  30           1HB      LYS  30 -10.356   1.710  18.007
  729    HG2  LYS  30           2HG      LYS  30  -9.821   3.636  16.718
  730    HG3  LYS  30           1HG      LYS  30  -9.740   2.691  15.229
  731    HD2  LYS  30           2HD      LYS  30 -12.128   2.226  15.383
  732    HD3  LYS  30           1HD      LYS  30 -12.217   3.132  16.894
  733    HE2  LYS  30           2HE      LYS  30 -11.607   5.171  15.759
  734    HE3  LYS  30           1HE      LYS  30 -11.345   4.294  14.251
  735    HZ1  LYS  30           3HZ      LYS  30 -13.663   3.808  14.108
  736    HZ2  LYS  30           1HZ      LYS  30 -13.495   5.474  14.359
  737    HZ3  LYS  30           2HZ      LYS  30 -13.963   4.467  15.640
  738    H    GLU  31           H        GLU  31  -8.788  -1.307  16.331
  739    HA   GLU  31           HA       GLU  31  -9.102  -2.609  18.792
  740    HB2  GLU  31           2HB      GLU  31  -7.899  -3.784  16.276
  741    HB3  GLU  31           1HB      GLU  31  -8.621  -4.678  17.603
  742    HG2  GLU  31           2HG      GLU  31 -10.798  -3.700  17.067
  743    HG3  GLU  31           1HG      GLU  31 -10.064  -2.819  15.726
  744    H    LYS  32           H        LYS  32  -6.250  -2.208  16.744
  745    HA   LYS  32           HA       LYS  32  -4.619  -3.593  18.725
  746    HB2  LYS  32           2HB      LYS  32  -4.121  -2.891  15.833
  747    HB3  LYS  32           1HB      LYS  32  -2.952  -3.712  16.865
  748    HG2  LYS  32           2HG      LYS  32  -4.276  -5.625  17.049
  749    HG3  LYS  32           1HG      LYS  32  -5.725  -4.782  16.503
  750    HD2  LYS  32           2HD      LYS  32  -4.785  -4.603  14.260
  751    HD3  LYS  32           1HD      LYS  32  -3.312  -5.408  14.802
  752    HE2  LYS  32           2HE      LYS  32  -4.904  -6.906  13.608
  753    HE3  LYS  32           1HE      LYS  32  -4.501  -7.441  15.239
  754    HZ1  LYS  32           3HZ      LYS  32  -6.885  -7.628  14.721
  755    HZ2  LYS  32           1HZ      LYS  32  -6.972  -5.946  14.520
  756    HZ3  LYS  32           2HZ      LYS  32  -6.592  -6.603  16.036
  757    H    ASN  33           H        ASN  33  -5.411  -0.480  18.106
  758    HA   ASN  33           HA       ASN  33  -4.589   1.540  18.734
  759    HB2  ASN  33           2HB      ASN  33  -2.596  -0.150  20.251
  760    HB3  ASN  33           1HB      ASN  33  -2.675   1.605  20.367
  761   HD21  ASN  33          1HD2      ASN  33  -4.096  -1.390  21.292
  762   HD22  ASN  33          2HD2      ASN  33  -5.265  -0.733  22.392
  763    H    LEU  34           H        LEU  34  -4.066   1.070  16.292
  764    HA   LEU  34           HA       LEU  34  -1.302   1.956  15.830
  765    HB2  LEU  34           2HB      LEU  34  -2.798  -0.113  14.203
  766    HB3  LEU  34           1HB      LEU  34  -1.223   0.549  13.803
  767    HG   LEU  34           HG       LEU  34  -1.809  -1.090  16.272
  768   HD11  LEU  34          1HD1      LEU  34  -0.478  -1.879  13.683
  769   HD12  LEU  34          2HD1      LEU  34  -2.056  -2.426  14.249
  770   HD13  LEU  34          3HD1      LEU  34  -0.596  -2.881  15.129
  771   HD21  LEU  34          3HD2      LEU  34   0.793  -0.148  15.067
  772   HD22  LEU  34          1HD2      LEU  34   0.626  -1.199  16.473
  773   HD23  LEU  34          2HD2      LEU  34   0.054   0.467  16.544
  774    H    THR  35           H        THR  35  -1.107   3.020  13.635
  775    HA   THR  35           HA       THR  35  -3.682   4.170  12.791
  776    HB   THR  35           HB       THR  35  -2.398   5.918  11.659
  777    HG1  THR  35           1HG      THR  35  -0.053   4.848  12.874
  778   HG21  THR  35          3HG2      THR  35  -1.569   5.535  14.536
  779   HG22  THR  35          1HG2      THR  35  -3.050   6.309  13.970
  780   HG23  THR  35          2HG2      THR  35  -1.486   7.051  13.640
  781    H    LEU  36           H        LEU  36  -3.921   4.495  10.406
  782    HA   LEU  36           HA       LEU  36  -3.425   2.220   8.859
  783    HB2  LEU  36           2HB      LEU  36  -4.076   3.530   6.939
  784    HB3  LEU  36           1HB      LEU  36  -5.121   3.895   8.292
  785    HG   LEU  36           HG       LEU  36  -2.839   5.670   7.406
  786   HD11  LEU  36          1HD1      LEU  36  -4.580   7.090   6.439
  787   HD12  LEU  36          2HD1      LEU  36  -5.792   5.872   6.835
  788   HD13  LEU  36          3HD1      LEU  36  -4.527   5.508   5.661
  789   HD21  LEU  36          3HD2      LEU  36  -5.144   6.131   9.305
  790   HD22  LEU  36          1HD2      LEU  36  -4.022   7.376   8.751
  791   HD23  LEU  36          2HD2      LEU  36  -3.434   6.033   9.729
  792    H    SER  37           H        SER  37  -1.521   5.137   9.282
  793    HA   SER  37           HA       SER  37   0.525   4.585   7.467
  794    HB2  SER  37           2HB      SER  37   0.842   5.859  10.198
  795    HB3  SER  37           1HB      SER  37   1.867   6.104   8.781
  796    HG   SER  37           HG       SER  37   0.472   7.489   8.005
  797    H    ASP  38           H        ASP  38   0.157   3.630  10.874
  798    HA   ASP  38           HA       ASP  38   2.550   2.155  11.063
  799    HB2  ASP  38           2HB      ASP  38  -0.043   1.918  12.592
  800    HB3  ASP  38           1HB      ASP  38   1.380   0.954  12.966
  801    H    VAL  39           H        VAL  39  -0.771   1.134  10.322
  802    HA   VAL  39           HA       VAL  39  -0.222  -1.616  10.162
  803    HB   VAL  39           HB       VAL  39  -2.400  -0.056   8.755
  804   HG11  VAL  39          1HG1      VAL  39  -2.124  -3.014   9.281
  805   HG12  VAL  39          2HG1      VAL  39  -2.143  -2.214   7.710
  806   HG13  VAL  39          3HG1      VAL  39  -3.596  -2.229   8.710
  807   HG21  VAL  39          3HG2      VAL  39  -3.809  -0.754  10.630
  808   HG22  VAL  39          1HG2      VAL  39  -2.446   0.224  11.177
  809   HG23  VAL  39          2HG2      VAL  39  -2.417  -1.526  11.390
  810    H    CYS  40           H        CYS  40  -0.008   0.942   7.741
  811    HA   CYS  40           HA       CYS  40   0.242  -0.737   5.489
  812    HB2  CYS  40           2HB      CYS  40  -0.145   1.882   5.747
  813    HB3  CYS  40           1HB      CYS  40   1.610   1.936   5.533
  814    HG   CYS  40           HG       CYS  40   0.036   0.056   3.263
  815    H    ARG  41           H        ARG  41   2.783   0.972   7.343
  816    HA   ARG  41           HA       ARG  41   4.919  -0.339   6.065
  817    HB2  ARG  41           2HB      ARG  41   6.305   0.546   7.936
  818    HB3  ARG  41           1HB      ARG  41   5.354   1.751   7.087
  819    HG2  ARG  41           2HG      ARG  41   4.945   2.432   9.190
  820    HG3  ARG  41           1HG      ARG  41   3.662   1.229   9.070
  821    HD2  ARG  41           2HD      ARG  41   4.996  -0.398  10.219
  822    HD3  ARG  41           1HD      ARG  41   6.398   0.680  10.199
  823    HE   ARG  41           HE       ARG  41   4.039   1.710  11.525
  824   HH11  ARG  41          1HH1      ARG  41   7.102   0.055  11.921
  825   HH12  ARG  41          2HH1      ARG  41   7.227   0.444  13.612
  826   HH21  ARG  41          1HH2      ARG  41   4.215   2.234  13.735
  827   HH22  ARG  41          2HH2      ARG  41   5.612   1.698  14.631
  828    H    LEU  42           H        LEU  42   3.104  -1.170   9.004
  829    HA   LEU  42           HA       LEU  42   4.874  -3.276   9.753
  830    HB2  LEU  42           2HB      LEU  42   1.958  -2.843  10.395
  831    HB3  LEU  42           1HB      LEU  42   2.952  -4.095  11.114
  832    HG   LEU  42           HG       LEU  42   3.425  -1.125  11.384
  833   HD11  LEU  42          1HD1      LEU  42   2.740  -1.453  13.712
  834   HD12  LEU  42          2HD1      LEU  42   2.354  -3.139  13.362
  835   HD13  LEU  42          3HD1      LEU  42   1.437  -1.845  12.592
  836   HD21  LEU  42          3HD2      LEU  42   5.098  -1.763  13.041
  837   HD22  LEU  42          1HD2      LEU  42   5.488  -2.436  11.459
  838   HD23  LEU  42          2HD2      LEU  42   4.790  -3.467  12.707
  839    H    ALA  43           H        ALA  43   2.381  -2.924   7.430
  840    HA   ALA  43           HA       ALA  43   1.820  -5.678   7.064
  841    HB1  ALA  43           1HB      ALA  43   1.379  -3.380   5.166
  842    HB2  ALA  43           2HB      ALA  43   0.252  -3.910   6.414
  843    HB3  ALA  43           3HB      ALA  43   0.638  -4.977   5.065
  844    H    ILE  44           H        ILE  44   4.068  -3.376   5.504
  845    HA   ILE  44           HA       ILE  44   4.923  -5.297   3.571
  846    HB   ILE  44           HB       ILE  44   6.878  -3.871   3.152
  847   HG12  ILE  44          2HG1      ILE  44   5.736  -2.151   5.358
  848   HG13  ILE  44          1HG1      ILE  44   7.289  -2.985   5.374
  849   HG21  ILE  44          1HG2      ILE  44   4.272  -2.393   3.265
  850   HG22  ILE  44          2HG2      ILE  44   4.791  -3.494   1.987
  851   HG23  ILE  44          3HG2      ILE  44   5.655  -1.978   2.252
  852   HD11  ILE  44          3HD1      ILE  44   6.510  -0.741   3.522
  853   HD12  ILE  44          1HD1      ILE  44   8.053  -1.594   3.517
  854   HD13  ILE  44          2HD1      ILE  44   7.588  -0.625   4.914
  855    H    LYS  45           H        LYS  45   5.853  -4.523   6.833
  856    HA   LYS  45           HA       LYS  45   8.175  -6.053   6.997
  857    HB2  LYS  45           2HB      LYS  45   7.463  -4.620   8.825
  858    HB3  LYS  45           1HB      LYS  45   6.017  -5.588   9.063
  859    HG2  LYS  45           2HG      LYS  45   7.319  -7.449   9.836
  860    HG3  LYS  45           1HG      LYS  45   8.822  -6.609   9.442
  861    HD2  LYS  45           2HD      LYS  45   8.361  -4.928  11.117
  862    HD3  LYS  45           1HD      LYS  45   6.789  -5.654  11.454
  863    HE2  LYS  45           2HE      LYS  45   8.521  -6.239  13.124
  864    HE3  LYS  45           1HE      LYS  45   7.829  -7.642  12.313
  865    HZ1  LYS  45           3HZ      LYS  45  10.379  -6.381  11.473
  866    HZ2  LYS  45           1HZ      LYS  45   9.755  -7.883  10.987
  867    HZ3  LYS  45           2HZ      LYS  45  10.299  -7.661  12.579
  868    H    GLU  46           H        GLU  46   4.783  -6.933   7.219
  869    HA   GLU  46           HA       GLU  46   5.166  -9.717   7.699
  870    HB2  GLU  46           2HB      GLU  46   3.093  -8.506   8.255
  871    HB3  GLU  46           1HB      GLU  46   2.817  -8.187   6.551
  872    HG2  GLU  46           2HG      GLU  46   1.391  -9.952   7.092
  873    HG3  GLU  46           1HG      GLU  46   2.741 -10.698   6.241
  874    H    TYR  47           H        TYR  47   4.732  -7.675   4.884
  875    HA   TYR  47           HA       TYR  47   4.357  -9.678   2.965
  876    HB2  TYR  47           2HB      TYR  47   3.872  -7.233   2.669
  877    HB3  TYR  47           1HB      TYR  47   5.604  -6.954   2.550
  878    HD1  TYR  47           1HD      TYR  47   6.848  -7.691   0.554
  879    HD2  TYR  47           2HD      TYR  47   2.632  -8.195   0.841
  880    HE1  TYR  47           1HE      TYR  47   6.735  -8.089  -1.872
  881    HE2  TYR  47           2HE      TYR  47   2.509  -8.589  -1.582
  882    HH   TYR  47           HH       TYR  47   3.858  -8.038  -3.618
  883    H    LEU  48           H        LEU  48   7.247  -8.061   4.176
  884    HA   LEU  48           HA       LEU  48   9.073  -9.296   2.409
  885    HB2  LEU  48           2HB      LEU  48   9.546  -8.156   5.163
  886    HB3  LEU  48           1HB      LEU  48  10.803  -8.591   4.022
  887    HG   LEU  48           HG       LEU  48   8.765  -6.391   3.696
  888   HD11  LEU  48          1HD1      LEU  48  10.542  -5.857   5.266
  889   HD12  LEU  48          2HD1      LEU  48  10.715  -4.919   3.782
  890   HD13  LEU  48          3HD1      LEU  48  11.756  -6.314   4.070
  891   HD21  LEU  48          3HD2      LEU  48  10.970  -7.251   1.823
  892   HD22  LEU  48          1HD2      LEU  48   9.924  -5.846   1.620
  893   HD23  LEU  48          2HD2      LEU  48   9.242  -7.472   1.552
  894    H    ASP  49           H        ASP  49   7.855 -10.179   5.605
  895    HA   ASP  49           HA       ASP  49   9.613 -12.327   6.050
  896    HB2  ASP  49           2HB      ASP  49   8.235 -11.391   7.838
  897    HB3  ASP  49           1HB      ASP  49   6.779 -11.976   7.036
  898    H    ASN  50           H        ASN  50   6.409 -12.261   4.515
  899    HA   ASN  50           HA       ASN  50   6.342 -15.111   4.189
  900    HB2  ASN  50           2HB      ASN  50   4.557 -12.899   3.190
  901    HB3  ASN  50           1HB      ASN  50   4.282 -14.592   2.788
  902   HD21  ASN  50          1HD2      ASN  50   4.317 -12.215   5.326
  903   HD22  ASN  50          2HD2      ASN  50   3.437 -13.148   6.487
  904    H    HIS  51           H        HIS  51   7.036 -12.393   2.025
  905    HA   HIS  51           HA       HIS  51   7.313 -14.235  -0.226
  906    HB2  HIS  51           2HB      HIS  51   7.574 -11.220  -0.077
  907    HB3  HIS  51           1HB      HIS  51   7.768 -12.159  -1.553
  908    HD1  HIS  51           1HD      HIS  51   5.698 -12.528  -2.890
  909    HD2  HIS  51           2HD      HIS  51   4.856 -11.510   1.053
  910    HE1  HIS  51           1HE      HIS  51   3.204 -12.236  -2.781
  911    HE2  HIS  51           2HE      HIS  51   2.698 -11.843  -0.338
  912    H    ASP  52           H        ASP  52   9.323 -11.587   1.010
  913    HA   ASP  52           HA       ASP  52  11.455 -11.439   1.688
  914    HB2  ASP  52           2HB      ASP  52  10.824 -13.338   3.085
  915    HB3  ASP  52           1HB      ASP  52  11.342 -14.448   1.819
  916    H    LYS  53           H        LYS  53  13.369 -11.119   0.839
  917    HA   LYS  53           HA       LYS  53  14.464 -13.042  -1.064
  918    HB2  LYS  53           2HB      LYS  53  14.308 -10.064  -1.514
  919    HB3  LYS  53           1HB      LYS  53  15.501 -11.070  -2.322
  920    HG2  LYS  53           2HG      LYS  53  13.319 -12.455  -2.953
  921    HG3  LYS  53           1HG      LYS  53  12.585 -10.862  -2.751
  922    HD2  LYS  53           2HD      LYS  53  14.966 -11.451  -4.505
  923    HD3  LYS  53           1HD      LYS  53  13.303 -11.326  -5.078
  924    HE2  LYS  53           2HE      LYS  53  13.190  -9.021  -4.417
  925    HE3  LYS  53           1HE      LYS  53  14.774  -9.122  -3.645
  926    HZ1  LYS  53           3HZ      LYS  53  15.840  -9.296  -5.696
  927    HZ2  LYS  53           1HZ      LYS  53  14.670  -8.095  -5.948
  928    HZ3  LYS  53           2HZ      LYS  53  14.412  -9.668  -6.527
  929    H    GLN  54           H        GLN  54  14.771 -12.409   1.777
  930    HA   GLN  54           HA       GLN  54  17.400 -11.143   1.955
  931    HB2  GLN  54           2HB      GLN  54  15.657 -12.152   4.207
  932    HB3  GLN  54           1HB      GLN  54  17.026 -11.054   4.327
  933    HG2  GLN  54           2HG      GLN  54  15.791  -9.351   3.119
  934    HG3  GLN  54           1HG      GLN  54  14.428 -10.454   2.933
  935   HE21  GLN  54          1HE2      GLN  54  13.218 -11.035   4.768
  936   HE22  GLN  54          2HE2      GLN  54  13.218 -10.035   6.185
  937    H    LYS  55           H        LYS  55  17.942 -13.269   0.650
  938    HA   LYS  55           HA       LYS  55  18.099 -15.648   2.265
  939    HB2  LYS  55           2HB      LYS  55  19.139 -15.080  -0.515
  940    HB3  LYS  55           1HB      LYS  55  19.175 -16.655   0.266
  941    HG2  LYS  55           2HG      LYS  55  16.737 -15.076  -0.522
  942    HG3  LYS  55           1HG      LYS  55  17.317 -16.581  -1.238
  943    HD2  LYS  55           2HD      LYS  55  16.358 -16.238   1.603
  944    HD3  LYS  55           1HD      LYS  55  15.427 -16.953   0.288
  945    HE2  LYS  55           2HE      LYS  55  16.990 -18.770   0.099
  946    HE3  LYS  55           1HE      LYS  55  18.073 -18.014   1.267
  947    HZ1  LYS  55           3HZ      LYS  55  16.725 -19.816   2.221
  948    HZ2  LYS  55           1HZ      LYS  55  15.314 -18.939   1.873
  949    HZ3  LYS  55           2HZ      LYS  55  16.444 -18.328   2.982
  950    H    LYS  56           H        LYS  56  19.386 -14.613   3.929
  951    HA   LYS  56           HA       LYS  56  21.309 -14.453   5.113
  952    HB2  LYS  56           2HB      LYS  56  22.234 -16.399   3.002
  953    HB3  LYS  56           1HB      LYS  56  23.141 -16.019   4.459
  954    HG2  LYS  56           2HG      LYS  56  20.372 -17.205   4.406
  955    HG3  LYS  56           1HG      LYS  56  21.870 -18.109   4.645
  956    HD2  LYS  56           2HD      LYS  56  22.332 -16.870   6.675
  957    HD3  LYS  56           1HD      LYS  56  20.901 -15.869   6.420
  958    HE2  LYS  56           2HE      LYS  56  20.885 -18.857   6.860
  959    HE3  LYS  56           1HE      LYS  56  20.531 -17.644   8.090
  960    HZ1  LYS  56           3HZ      LYS  56  18.985 -18.112   5.597
  961    HZ2  LYS  56           1HZ      LYS  56  18.665 -16.887   6.724
  962    HZ3  LYS  56           2HZ      LYS  56  18.500 -18.517   7.167
  Start of MODEL    9
    1    H1   GLY   2           1HT      GLY   2 -14.262   4.508 -12.448
    2    H2   GLY   2           2HT      GLY   2 -13.078   3.541 -11.719
    3    H3   GLY   2           3HT      GLY   2 -13.165   5.190 -11.349
    4    HA2  GLY   2           1HA      GLY   2 -15.234   3.160 -10.705
    5    HA3  GLY   2           2HA      GLY   2 -14.085   3.842  -9.562
    6    H    ARG   3           H        ARG   3 -16.593   4.095  -8.835
    7    HA   ARG   3           HA       ARG   3 -17.208   6.926  -9.376
    8    HB2  ARG   3           2HB      ARG   3 -18.925   5.660 -10.472
    9    HB3  ARG   3           1HB      ARG   3 -19.123   4.607  -9.080
   10    HG2  ARG   3           2HG      ARG   3 -20.970   6.187  -9.303
   11    HG3  ARG   3           1HG      ARG   3 -20.081   6.429  -7.799
   12    HD2  ARG   3           2HD      ARG   3 -20.669   8.554  -8.878
   13    HD3  ARG   3           1HD      ARG   3 -18.925   8.334  -8.759
   14    HE   ARG   3           HE       ARG   3 -19.737   7.384 -11.259
   15   HH11  ARG   3          1HH1      ARG   3 -19.696  10.447  -9.538
   16   HH12  ARG   3          2HH1      ARG   3 -19.389  11.385 -10.963
   17   HH21  ARG   3          1HH2      ARG   3 -19.324   8.640 -13.136
   18   HH22  ARG   3          2HH2      ARG   3 -19.203  10.369 -12.988
   19    HA   PRO   4           HA       PRO   4 -16.520   6.973  -4.922
   20    HB2  PRO   4           2HB      PRO   4 -17.084   9.842  -5.258
   21    HB3  PRO   4           1HB      PRO   4 -15.638   9.053  -4.623
   22    HG2  PRO   4           2HG      PRO   4 -15.643  10.276  -7.011
   23    HG3  PRO   4           1HG      PRO   4 -14.692   8.809  -6.717
   24    HD2  PRO   4           2HD      PRO   4 -17.330   9.110  -8.105
   25    HD3  PRO   4           1HD      PRO   4 -15.931   8.108  -8.552
   26    H    TYR   5           H        TYR   5 -18.175   6.297  -3.706
   27    HA   TYR   5           HA       TYR   5 -20.886   7.008  -4.386
   28    HB2  TYR   5           2HB      TYR   5 -19.849   5.275  -2.131
   29    HB3  TYR   5           1HB      TYR   5 -21.524   5.387  -2.663
   30    HD1  TYR   5           1HD      TYR   5 -22.184   4.469  -4.873
   31    HD2  TYR   5           2HD      TYR   5 -18.271   3.906  -3.298
   32    HE1  TYR   5           1HE      TYR   5 -21.814   2.627  -6.463
   33    HE2  TYR   5           2HE      TYR   5 -17.890   2.070  -4.886
   34    HH   TYR   5           HH       TYR   5 -20.049   1.409  -7.502
   35    H    LYS   6           H        LYS   6 -18.590   8.474  -2.581
   36    HA   LYS   6           HA       LYS   6 -20.582  10.066  -1.182
   37    HB2  LYS   6           2HB      LYS   6 -19.274  10.014   0.918
   38    HB3  LYS   6           1HB      LYS   6 -19.929   8.438   0.495
   39    HG2  LYS   6           2HG      LYS   6 -17.735   7.787  -0.406
   40    HG3  LYS   6           1HG      LYS   6 -17.091   9.355   0.083
   41    HD2  LYS   6           2HD      LYS   6 -18.250   7.259   1.919
   42    HD3  LYS   6           1HD      LYS   6 -16.537   7.620   1.712
   43    HE2  LYS   6           2HE      LYS   6 -16.953   9.913   2.521
   44    HE3  LYS   6           1HE      LYS   6 -18.640   9.488   2.796
   45    HZ1  LYS   6           3HZ      LYS   6 -17.814   7.713   4.324
   46    HZ2  LYS   6           1HZ      LYS   6 -17.508   9.294   4.849
   47    HZ3  LYS   6           2HZ      LYS   6 -16.260   8.375   4.169
   48    H    LEU   7           H        LEU   7 -18.867  10.364  -3.484
   49    HA   LEU   7           HA       LEU   7 -17.653  11.958  -4.528
   50    HB2  LEU   7           2HB      LEU   7 -17.917  13.475  -1.933
   51    HB3  LEU   7           1HB      LEU   7 -17.313  14.145  -3.434
   52    HG   LEU   7           HG       LEU   7 -20.116  13.129  -2.957
   53   HD11  LEU   7          1HD1      LEU   7 -19.068  15.930  -3.330
   54   HD12  LEU   7          2HD1      LEU   7 -19.649  15.237  -1.819
   55   HD13  LEU   7          3HD1      LEU   7 -20.762  15.471  -3.165
   56   HD21  LEU   7          3HD2      LEU   7 -19.442  12.732  -5.251
   57   HD22  LEU   7          1HD2      LEU   7 -18.869  14.394  -5.395
   58   HD23  LEU   7          2HD2      LEU   7 -20.589  14.070  -5.183
   59    H    LEU   8           H        LEU   8 -16.551  10.159  -2.067
   60    HA   LEU   8           HA       LEU   8 -13.771  10.919  -2.590
   61    HB2  LEU   8           2HB      LEU   8 -14.941  10.305   0.131
   62    HB3  LEU   8           1HB      LEU   8 -13.232  10.485  -0.204
   63    HG   LEU   8           HG       LEU   8 -15.290  12.670  -0.536
   64   HD11  LEU   8          1HD1      LEU   8 -13.234  12.244   1.630
   65   HD12  LEU   8          2HD1      LEU   8 -14.982  12.078   1.811
   66   HD13  LEU   8          3HD1      LEU   8 -14.278  13.655   1.455
   67   HD21  LEU   8          3HD2      LEU   8 -12.278  12.731  -0.683
   68   HD22  LEU   8          1HD2      LEU   8 -13.342  14.133  -0.774
   69   HD23  LEU   8          2HD2      LEU   8 -13.387  12.907  -2.041
   70    H    ASN   9           H        ASN   9 -13.165   9.191  -3.749
   71    HA   ASN   9           HA       ASN   9 -14.003   6.513  -2.928
   72    HB2  ASN   9           2HB      ASN   9 -13.047   5.746  -5.026
   73    HB3  ASN   9           1HB      ASN   9 -14.091   7.130  -5.335
   74   HD21  ASN   9          1HD2      ASN   9 -10.842   5.926  -5.305
   75   HD22  ASN   9          2HD2      ASN   9 -10.118   7.280  -6.117
   76    H    GLY  10           H        GLY  10 -11.394   8.659  -2.573
   77    HA2  GLY  10           2HA      GLY  10  -9.797   6.672  -1.207
   78    HA3  GLY  10           1HA      GLY  10  -9.088   7.250  -2.708
   79    H    ILE  11           H        ILE  11  -8.105   7.549   0.005
   80    HA   ILE  11           HA       ILE  11  -8.365  10.466   0.407
   81    HB   ILE  11           HB       ILE  11  -8.177   8.406   2.619
   82   HG12  ILE  11          2HG1      ILE  11 -10.331   8.190   1.482
   83   HG13  ILE  11          1HG1      ILE  11 -10.536   8.868   3.095
   84   HG21  ILE  11          1HG2      ILE  11  -8.719  11.368   2.702
   85   HG22  ILE  11          2HG2      ILE  11  -7.283  10.534   3.302
   86   HG23  ILE  11          3HG2      ILE  11  -8.843  10.280   4.084
   87   HD11  ILE  11          3HD1      ILE  11 -11.966   9.976   1.468
   88   HD12  ILE  11          1HD1      ILE  11 -10.550  10.412   0.512
   89   HD13  ILE  11          2HD1      ILE  11 -10.769  11.096   2.122
   90    H    LYS  12           H        LYS  12  -6.508  11.433   1.567
   91    HA   LYS  12           HA       LYS  12  -4.039  10.125   0.669
   92    HB2  LYS  12           2HB      LYS  12  -4.392  12.356  -0.192
   93    HB3  LYS  12           1HB      LYS  12  -4.657  12.986   1.425
   94    HG2  LYS  12           2HG      LYS  12  -2.490  13.652   0.771
   95    HG3  LYS  12           1HG      LYS  12  -2.285  12.360   1.955
   96    HD2  LYS  12           2HD      LYS  12  -1.882  10.761   0.151
   97    HD3  LYS  12           1HD      LYS  12  -2.131  12.038  -1.044
   98    HE2  LYS  12           2HE      LYS  12  -0.230  13.279  -0.011
   99    HE3  LYS  12           1HE      LYS  12   0.063  11.877   1.015
  100    HZ1  LYS  12           3HZ      LYS  12   0.224  11.964  -1.951
  101    HZ2  LYS  12           1HZ      LYS  12   0.402  10.561  -1.020
  102    HZ3  LYS  12           2HZ      LYS  12   1.523  11.818  -0.869
  103    H    LEU  13           H        LEU  13  -2.679   9.284   2.039
  104    HA   LEU  13           HA       LEU  13  -2.606  10.212   4.820
  105    HB2  LEU  13           2HB      LEU  13  -2.195   7.804   5.470
  106    HB3  LEU  13           1HB      LEU  13  -3.837   8.206   5.011
  107    HG   LEU  13           HG       LEU  13  -1.975   7.033   2.976
  108   HD11  LEU  13          1HD1      LEU  13  -1.803   5.565   4.914
  109   HD12  LEU  13          2HD1      LEU  13  -2.729   4.797   3.625
  110   HD13  LEU  13          3HD1      LEU  13  -3.561   5.482   5.019
  111   HD21  LEU  13          3HD2      LEU  13  -4.120   7.892   2.207
  112   HD22  LEU  13          1HD2      LEU  13  -4.961   6.918   3.417
  113   HD23  LEU  13          2HD2      LEU  13  -4.095   6.129   2.101
  114    H    GLY  14           H        GLY  14  -0.574   9.412   5.923
  115    HA2  GLY  14           2HA      GLY  14   1.640   9.118   4.014
  116    HA3  GLY  14           1HA      GLY  14   1.654  10.477   5.132
  117    H    VAL  15           H        VAL  15   3.141   7.757   4.677
  118    HA   VAL  15           HA       VAL  15   3.085   6.873   7.484
  119    HB   VAL  15           HB       VAL  15   4.269   5.363   5.148
  120   HG11  VAL  15          1HG1      VAL  15   3.451   4.484   7.910
  121   HG12  VAL  15          2HG1      VAL  15   5.099   4.659   7.306
  122   HG13  VAL  15          3HG1      VAL  15   4.040   3.420   6.633
  123   HG21  VAL  15          3HG2      VAL  15   1.498   5.092   6.305
  124   HG22  VAL  15          1HG2      VAL  15   2.225   4.003   5.121
  125   HG23  VAL  15          2HG2      VAL  15   1.906   5.686   4.696
  126    H    TYR  16           H        TYR  16   5.198   6.314   8.430
  127    HA   TYR  16           HA       TYR  16   7.495   7.665   7.203
  128    HB2  TYR  16           2HB      TYR  16   6.131   8.878   9.201
  129    HB3  TYR  16           1HB      TYR  16   7.224   7.871  10.144
  130    HD1  TYR  16           1HD      TYR  16   7.785   9.654   6.941
  131    HD2  TYR  16           2HD      TYR  16   8.807   9.326  11.051
  132    HE1  TYR  16           1HE      TYR  16   9.542  11.330   6.625
  133    HE2  TYR  16           2HE      TYR  16  10.574  11.014  10.751
  134    HH   TYR  16           HH       TYR  16  11.959  11.939   8.909
  135    H    ILE  17           H        ILE  17   9.117   6.227   7.084
  136    HA   ILE  17           HA       ILE  17   9.349   4.166   9.151
  137    HB   ILE  17           HB       ILE  17   9.531   2.349   7.612
  138   HG12  ILE  17          2HG1      ILE  17   9.038   4.330   5.378
  139   HG13  ILE  17          1HG1      ILE  17  10.582   3.558   5.733
  140   HG21  ILE  17          1HG2      ILE  17   7.269   2.241   6.709
  141   HG22  ILE  17          2HG2      ILE  17   7.092   3.981   6.937
  142   HG23  ILE  17          3HG2      ILE  17   7.282   2.923   8.335
  143   HD11  ILE  17          3HD1      ILE  17   9.642   2.348   3.950
  144   HD12  ILE  17          1HD1      ILE  17   8.060   2.288   4.729
  145   HD13  ILE  17          2HD1      ILE  17   9.399   1.351   5.393
  146    HA   PRO  18           HA       PRO  18  13.687   4.661   9.003
  147    HB2  PRO  18           2HB      PRO  18  14.088   1.774   8.477
  148    HB3  PRO  18           1HB      PRO  18  14.648   2.759   9.832
  149    HG2  PRO  18           2HG      PRO  18  12.665   1.016  10.149
  150    HG3  PRO  18           1HG      PRO  18  12.620   2.596  10.955
  151    HD2  PRO  18           2HD      PRO  18  11.193   1.684   8.483
  152    HD3  PRO  18           1HD      PRO  18  10.585   2.659   9.836
  153    H    GLN  19           H        GLN  19  15.443   4.911   7.700
  154    HA   GLN  19           HA       GLN  19  15.039   5.176   4.965
  155    HB2  GLN  19           2HB      GLN  19  17.467   5.564   4.805
  156    HB3  GLN  19           1HB      GLN  19  16.739   6.452   6.136
  157    HG2  GLN  19           2HG      GLN  19  17.898   5.327   7.698
  158    HG3  GLN  19           1HG      GLN  19  17.798   3.797   6.824
  159   HE21  GLN  19          1HE2      GLN  19  19.379   3.268   5.340
  160   HE22  GLN  19          2HE2      GLN  19  20.867   4.141   5.209
  161    H    GLU  20           H        GLU  20  16.340   2.462   6.778
  162    HA   GLU  20           HA       GLU  20  17.609   1.065   4.749
  163    HB2  GLU  20           2HB      GLU  20  16.105   0.037   7.155
  164    HB3  GLU  20           1HB      GLU  20  17.075  -0.985   6.103
  165    HG2  GLU  20           2HG      GLU  20  18.101   1.385   7.653
  166    HG3  GLU  20           1HG      GLU  20  18.293  -0.306   8.118
  167    H    TRP  21           H        TRP  21  14.176   1.091   5.623
  168    HA   TRP  21           HA       TRP  21  13.489  -0.899   3.677
  169    HB2  TRP  21           2HB      TRP  21  11.831   1.064   5.255
  170    HB3  TRP  21           1HB      TRP  21  11.135  -0.057   4.095
  171    HD1  TRP  21           HD       TRP  21  13.602  -2.175   5.585
  172    HE1  TRP  21           1HE      TRP  21  12.643  -3.489   7.595
  173    HE3  TRP  21           3HE      TRP  21   9.416   0.593   6.378
  174    HZ2  TRP  21           2HZ      TRP  21  10.363  -3.318   9.302
  175    HZ3  TRP  21           3HZ      TRP  21   7.892  -0.021   8.196
  176    HH2  TRP  21           HH       TRP  21   8.353  -1.923   9.615
  177    H    HIS  22           H        HIS  22  13.116   2.602   3.966
  178    HA   HIS  22           HA       HIS  22  11.762   3.122   1.608
  179    HB2  HIS  22           2HB      HIS  22  12.502   4.666   3.601
  180    HB3  HIS  22           1HB      HIS  22  13.892   5.000   2.573
  181    HD1  HIS  22           1HD      HIS  22  13.486   6.431   0.451
  182    HD2  HIS  22           2HD      HIS  22  10.079   5.746   2.751
  183    HE1  HIS  22           1HE      HIS  22  11.764   8.076  -0.368
  184    HE2  HIS  22           2HE      HIS  22   9.802   7.794   1.190
  185    H    ASP  23           H        ASP  23  15.210   2.752   2.192
  186    HA   ASP  23           HA       ASP  23  16.175   3.504  -0.337
  187    HB2  ASP  23           2HB      ASP  23  17.527   3.209   1.760
  188    HB3  ASP  23           1HB      ASP  23  17.380   1.470   1.546
  189    H    ARG  24           H        ARG  24  15.446   0.266   0.988
  190    HA   ARG  24           HA       ARG  24  16.137  -1.035  -1.480
  191    HB2  ARG  24           2HB      ARG  24  14.912  -1.988   1.093
  192    HB3  ARG  24           1HB      ARG  24  14.979  -3.040  -0.310
  193    HG2  ARG  24           2HG      ARG  24  16.825  -3.479   1.206
  194    HG3  ARG  24           1HG      ARG  24  17.415  -2.862  -0.337
  195    HD2  ARG  24           2HD      ARG  24  17.972  -0.795   0.570
  196    HD3  ARG  24           1HD      ARG  24  16.927  -1.018   1.970
  197    HE   ARG  24           HE       ARG  24  19.053  -2.929   1.878
  198   HH11  ARG  24          1HH1      ARG  24  18.318   0.390   2.729
  199   HH12  ARG  24          2HH1      ARG  24  19.512   0.468   3.989
  200   HH21  ARG  24          1HH2      ARG  24  20.624  -2.831   3.527
  201   HH22  ARG  24          2HH2      ARG  24  20.815  -1.364   4.448
  202    H    LEU  25           H        LEU  25  13.206   0.183  -0.054
  203    HA   LEU  25           HA       LEU  25  11.349  -1.107  -1.737
  204    HB2  LEU  25           2HB      LEU  25  11.233   1.596  -0.394
  205    HB3  LEU  25           1HB      LEU  25   9.883   0.868  -1.245
  206    HG   LEU  25           HG       LEU  25  11.204  -0.245   1.233
  207   HD11  LEU  25          1HD1      LEU  25   9.106   0.312   2.331
  208   HD12  LEU  25          2HD1      LEU  25   8.489   1.002   0.829
  209   HD13  LEU  25          3HD1      LEU  25   9.858   1.755   1.649
  210   HD21  LEU  25          3HD2      LEU  25   8.823  -1.237  -0.332
  211   HD22  LEU  25          1HD2      LEU  25   9.384  -1.882   1.211
  212   HD23  LEU  25          2HD2      LEU  25  10.398  -2.024  -0.225
  213    H    MET  26           H        MET  26  13.163   1.907  -2.044
  214    HA   MET  26           HA       MET  26  12.085   2.750  -4.490
  215    HB2  MET  26           2HB      MET  26  14.739   3.230  -3.161
  216    HB3  MET  26           1HB      MET  26  14.313   3.972  -4.699
  217    HG2  MET  26           2HG      MET  26  12.608   4.244  -2.246
  218    HG3  MET  26           1HG      MET  26  13.941   5.345  -2.607
  219    HE1  MET  26           3HE      MET  26  11.190   6.635  -2.169
  220    HE2  MET  26           1HE      MET  26  11.040   7.693  -3.570
  221    HE3  MET  26           2HE      MET  26  12.591   7.532  -2.751
  222    H    GLU  27           H        GLU  27  14.794   0.600  -3.747
  223    HA   GLU  27           HA       GLU  27  15.683   0.261  -6.403
  224    HB2  GLU  27           2HB      GLU  27  16.995  -0.406  -4.410
  225    HB3  GLU  27           1HB      GLU  27  15.844  -1.696  -4.100
  226    HG2  GLU  27           2HG      GLU  27  17.848  -2.549  -5.159
  227    HG3  GLU  27           1HG      GLU  27  16.445  -2.757  -6.206
  228    H    ILE  28           H        ILE  28  13.432  -1.626  -4.414
  229    HA   ILE  28           HA       ILE  28  12.693  -3.483  -6.407
  230    HB   ILE  28           HB       ILE  28  11.050  -2.445  -4.085
  231   HG12  ILE  28          2HG1      ILE  28  12.752  -4.938  -4.322
  232   HG13  ILE  28          1HG1      ILE  28  13.211  -3.481  -3.447
  233   HG21  ILE  28          1HG2      ILE  28   9.642  -3.505  -5.774
  234   HG22  ILE  28          2HG2      ILE  28   9.736  -4.493  -4.319
  235   HG23  ILE  28          3HG2      ILE  28  10.671  -4.936  -5.747
  236   HD11  ILE  28          3HD1      ILE  28  12.390  -5.231  -1.958
  237   HD12  ILE  28          1HD1      ILE  28  10.845  -5.227  -2.807
  238   HD13  ILE  28          2HD1      ILE  28  11.362  -3.798  -1.911
  239    H    ALA  29           H        ALA  29  11.580  -0.259  -5.632
  240    HA   ALA  29           HA       ALA  29   9.231  -0.220  -7.179
  241    HB1  ALA  29           1HB      ALA  29  10.998   2.101  -6.411
  242    HB2  ALA  29           2HB      ALA  29   9.739   1.394  -5.397
  243    HB3  ALA  29           3HB      ALA  29   9.308   2.186  -6.912
  244    H    LYS  30           H        LYS  30  12.577   0.196  -8.041
  245    HA   LYS  30           HA       LYS  30  12.010   1.388 -10.601
  246    HB2  LYS  30           2HB      LYS  30  14.529   0.049  -9.589
  247    HB3  LYS  30           1HB      LYS  30  14.400   0.994 -11.069
  248    HG2  LYS  30           2HG      LYS  30  13.942   2.995  -9.807
  249    HG3  LYS  30           1HG      LYS  30  13.918   2.074  -8.299
  250    HD2  LYS  30           2HD      LYS  30  16.264   1.493  -8.599
  251    HD3  LYS  30           1HD      LYS  30  16.296   2.356 -10.137
  252    HE2  LYS  30           2HE      LYS  30  15.683   3.622  -7.472
  253    HE3  LYS  30           1HE      LYS  30  17.265   3.637  -8.248
  254    HZ1  LYS  30           3HZ      LYS  30  16.209   4.771 -10.157
  255    HZ2  LYS  30           1HZ      LYS  30  16.159   5.677  -8.722
  256    HZ3  LYS  30           2HZ      LYS  30  14.766   4.874  -9.271
  257    H    GLU  31           H        GLU  31  13.025  -1.774  -9.439
  258    HA   GLU  31           HA       GLU  31  13.105  -3.052 -11.939
  259    HB2  GLU  31           2HB      GLU  31  13.923  -3.704  -9.481
  260    HB3  GLU  31           1HB      GLU  31  12.416  -4.603  -9.496
  261    HG2  GLU  31           2HG      GLU  31  14.447  -4.887 -11.681
  262    HG3  GLU  31           1HG      GLU  31  14.548  -5.812 -10.188
  263    H    LYS  32           H        LYS  32  10.531  -2.675  -9.542
  264    HA   LYS  32           HA       LYS  32   8.717  -4.306 -11.150
  265    HB2  LYS  32           2HB      LYS  32   8.731  -3.328  -8.335
  266    HB3  LYS  32           1HB      LYS  32   7.177  -3.665  -9.084
  267    HG2  LYS  32           2HG      LYS  32   7.933  -5.581  -7.834
  268    HG3  LYS  32           1HG      LYS  32   7.904  -5.958  -9.554
  269    HD2  LYS  32           2HD      LYS  32  10.316  -5.638  -9.678
  270    HD3  LYS  32           1HD      LYS  32  10.357  -5.214  -7.964
  271    HE2  LYS  32           2HE      LYS  32   9.564  -7.436  -7.374
  272    HE3  LYS  32           1HE      LYS  32   9.426  -7.862  -9.078
  273    HZ1  LYS  32           3HZ      LYS  32  11.453  -8.746  -8.120
  274    HZ2  LYS  32           1HZ      LYS  32  11.949  -7.188  -7.661
  275    HZ3  LYS  32           2HZ      LYS  32  11.816  -7.585  -9.303
  276    H    ASN  33           H        ASN  33   9.530  -1.077 -10.851
  277    HA   ASN  33           HA       ASN  33   8.664   0.870 -11.622
  278    HB2  ASN  33           2HB      ASN  33   6.947  -1.049 -13.189
  279    HB3  ASN  33           1HB      ASN  33   6.842   0.696 -13.391
  280   HD21  ASN  33          1HD2      ASN  33   9.651   1.201 -13.031
  281   HD22  ASN  33          2HD2      ASN  33  10.453   0.603 -14.440
  282    H    LEU  34           H        LEU  34   7.740  -0.057  -9.154
  283    HA   LEU  34           HA       LEU  34   4.947   0.878  -9.072
  284    HB2  LEU  34           2HB      LEU  34   6.526  -0.791  -7.108
  285    HB3  LEU  34           1HB      LEU  34   4.895  -0.211  -6.823
  286    HG   LEU  34           HG       LEU  34   5.669  -2.078  -9.067
  287   HD11  LEU  34          1HD1      LEU  34   4.611  -3.828  -7.739
  288   HD12  LEU  34          2HD1      LEU  34   4.348  -2.681  -6.423
  289   HD13  LEU  34          3HD1      LEU  34   5.990  -3.134  -6.886
  290   HD21  LEU  34          3HD2      LEU  34   3.254  -2.423  -9.262
  291   HD22  LEU  34          1HD2      LEU  34   3.684  -0.733  -9.528
  292   HD23  LEU  34          2HD2      LEU  34   2.980  -1.232  -7.990
  293    H    THR  35           H        THR  35   4.403   2.200  -7.109
  294    HA   THR  35           HA       THR  35   6.724   3.803  -6.284
  295    HB   THR  35           HB       THR  35   5.174   5.548  -5.596
  296    HG1  THR  35           1HG      THR  35   3.093   3.830  -6.570
  297   HG21  THR  35          3HG2      THR  35   5.915   5.580  -7.912
  298   HG22  THR  35          1HG2      THR  35   4.255   6.167  -7.793
  299   HG23  THR  35          2HG2      THR  35   4.575   4.533  -8.376
  300    H    LEU  36           H        LEU  36   6.776   4.458  -3.970
  301    HA   LEU  36           HA       LEU  36   6.573   2.216  -2.287
  302    HB2  LEU  36           2HB      LEU  36   6.670   5.088  -1.385
  303    HB3  LEU  36           1HB      LEU  36   7.211   3.675  -0.500
  304    HG   LEU  36           HG       LEU  36   8.493   4.932  -2.916
  305   HD11  LEU  36          1HD1      LEU  36  10.410   5.140  -1.444
  306   HD12  LEU  36          2HD1      LEU  36   9.510   4.361  -0.143
  307   HD13  LEU  36          3HD1      LEU  36   8.997   5.934  -0.749
  308   HD21  LEU  36          3HD2      LEU  36   9.117   2.281  -1.621
  309   HD22  LEU  36          1HD2      LEU  36  10.161   3.112  -2.776
  310   HD23  LEU  36          2HD2      LEU  36   8.566   2.552  -3.274
  311    H    SER  37           H        SER  37   4.405   4.884  -2.909
  312    HA   SER  37           HA       SER  37   2.485   4.480  -0.949
  313    HB2  SER  37           2HB      SER  37   1.841   5.163  -3.817
  314    HB3  SER  37           1HB      SER  37   1.050   5.738  -2.348
  315    HG   SER  37           HG       SER  37   2.450   7.296  -2.255
  316    H    ASP  38           H        ASP  38   2.832   2.981  -4.151
  317    HA   ASP  38           HA       ASP  38   0.537   1.346  -4.008
  318    HB2  ASP  38           2HB      ASP  38   3.094   0.943  -5.582
  319    HB3  ASP  38           1HB      ASP  38   1.633  -0.013  -5.796
  320    H    VAL  39           H        VAL  39   3.901   0.825  -3.074
  321    HA   VAL  39           HA       VAL  39   3.742  -1.946  -2.696
  322    HB   VAL  39           HB       VAL  39   5.589   0.020  -1.325
  323   HG11  VAL  39          1HG1      VAL  39   5.521  -2.142  -0.172
  324   HG12  VAL  39          2HG1      VAL  39   7.074  -1.889  -0.973
  325   HG13  VAL  39          3HG1      VAL  39   5.874  -2.964  -1.692
  326   HG21  VAL  39          3HG2      VAL  39   5.719   0.135  -3.767
  327   HG22  VAL  39          1HG2      VAL  39   5.982  -1.608  -3.838
  328   HG23  VAL  39          2HG2      VAL  39   7.184  -0.564  -3.078
  329    H    CYS  40           H        CYS  40   3.330   0.703  -0.340
  330    HA   CYS  40           HA       CYS  40   3.039  -1.037   1.889
  331    HB2  CYS  40           2HB      CYS  40   3.501   1.609   1.656
  332    HB3  CYS  40           1HB      CYS  40   1.769   1.670   1.955
  333    HG   CYS  40           HG       CYS  40   2.752  -0.294   4.223
  334    H    ARG  41           H        ARG  41   0.577   0.864   0.130
  335    HA   ARG  41           HA       ARG  41  -1.742  -0.213   0.998
  336    HB2  ARG  41           2HB      ARG  41  -1.725   1.538  -0.631
  337    HB3  ARG  41           1HB      ARG  41  -0.867   0.538  -1.791
  338    HG2  ARG  41           2HG      ARG  41  -3.386  -0.645  -1.016
  339    HG3  ARG  41           1HG      ARG  41  -3.590   0.983  -1.672
  340    HD2  ARG  41           2HD      ARG  41  -2.116  -1.302  -2.985
  341    HD3  ARG  41           1HD      ARG  41  -3.711  -0.705  -3.444
  342    HE   ARG  41           HE       ARG  41  -1.187   0.382  -4.202
  343   HH11  ARG  41          1HH1      ARG  41  -4.492   1.296  -3.470
  344   HH12  ARG  41          2HH1      ARG  41  -4.456   2.709  -4.484
  345   HH21  ARG  41          1HH2      ARG  41  -1.145   2.250  -5.548
  346   HH22  ARG  41          2HH2      ARG  41  -2.564   3.258  -5.640
  347    H    LEU  42           H        LEU  42   0.211  -1.623  -1.656
  348    HA   LEU  42           HA       LEU  42  -1.452  -3.890  -2.004
  349    HB2  LEU  42           2HB      LEU  42   1.462  -3.513  -2.709
  350    HB3  LEU  42           1HB      LEU  42   0.468  -4.850  -3.253
  351    HG   LEU  42           HG       LEU  42  -0.023  -1.947  -3.920
  352   HD11  LEU  42          1HD1      LEU  42   0.723  -2.583  -6.179
  353   HD12  LEU  42          2HD1      LEU  42   1.159  -4.181  -5.573
  354   HD13  LEU  42          3HD1      LEU  42   2.006  -2.752  -4.979
  355   HD21  LEU  42          3HD2      LEU  42  -2.070  -3.264  -3.888
  356   HD22  LEU  42          1HD2      LEU  42  -1.326  -4.479  -4.930
  357   HD23  LEU  42          2HD2      LEU  42  -1.626  -2.853  -5.545
  358    H    ALA  43           H        ALA  43   0.998  -3.112   0.261
  359    HA   ALA  43           HA       ALA  43   1.681  -5.746   1.030
  360    HB1  ALA  43           1HB      ALA  43   3.126  -3.832   1.489
  361    HB2  ALA  43           2HB      ALA  43   2.736  -4.730   2.957
  362    HB3  ALA  43           3HB      ALA  43   1.919  -3.206   2.613
  363    H    ILE  44           H        ILE  44  -0.784  -3.443   2.041
  364    HA   ILE  44           HA       ILE  44  -1.681  -4.935   4.288
  365    HB   ILE  44           HB       ILE  44  -3.192  -2.912   2.617
  366   HG12  ILE  44          2HG1      ILE  44  -1.581  -2.714   5.161
  367   HG13  ILE  44          1HG1      ILE  44  -1.332  -1.843   3.651
  368   HG21  ILE  44          1HG2      ILE  44  -3.868  -4.058   5.324
  369   HG22  ILE  44          2HG2      ILE  44  -4.718  -4.397   3.818
  370   HG23  ILE  44          3HG2      ILE  44  -4.747  -2.771   4.498
  371   HD11  ILE  44          3HD1      ILE  44  -3.426  -0.618   4.033
  372   HD12  ILE  44          1HD1      ILE  44  -2.256  -0.371   5.328
  373   HD13  ILE  44          2HD1      ILE  44  -3.624  -1.459   5.569
  374    H    LYS  45           H        LYS  45  -2.454  -4.890   0.867
  375    HA   LYS  45           HA       LYS  45  -4.598  -6.664   0.864
  376    HB2  LYS  45           2HB      LYS  45  -3.842  -5.471  -1.145
  377    HB3  LYS  45           1HB      LYS  45  -2.367  -6.427  -1.164
  378    HG2  LYS  45           2HG      LYS  45  -3.860  -7.309  -2.799
  379    HG3  LYS  45           1HG      LYS  45  -3.758  -8.460  -1.466
  380    HD2  LYS  45           2HD      LYS  45  -5.861  -7.463  -0.552
  381    HD3  LYS  45           1HD      LYS  45  -5.985  -6.509  -2.032
  382    HE2  LYS  45           2HE      LYS  45  -5.987  -9.516  -1.817
  383    HE3  LYS  45           1HE      LYS  45  -7.364  -8.490  -2.210
  384    HZ1  LYS  45           3HZ      LYS  45  -4.924  -8.914  -3.852
  385    HZ2  LYS  45           1HZ      LYS  45  -6.122  -7.763  -4.207
  386    HZ3  LYS  45           2HZ      LYS  45  -6.506  -9.413  -4.214
  387    H    GLU  46           H        GLU  46  -1.116  -7.298   0.904
  388    HA   GLU  46           HA       GLU  46  -1.324 -10.140   0.826
  389    HB2  GLU  46           2HB      GLU  46   0.926  -8.462   1.959
  390    HB3  GLU  46           1HB      GLU  46   1.025 -10.137   1.435
  391    HG2  GLU  46           2HG      GLU  46   0.423  -7.814  -0.378
  392    HG3  GLU  46           1HG      GLU  46   2.020  -8.525  -0.147
  393    H    TYR  47           H        TYR  47  -1.202  -7.700   3.314
  394    HA   TYR  47           HA       TYR  47  -0.781  -9.356   5.533
  395    HB2  TYR  47           2HB      TYR  47  -0.534  -6.864   5.504
  396    HB3  TYR  47           1HB      TYR  47  -2.288  -6.733   5.464
  397    HD1  TYR  47           2HD      TYR  47  -3.619  -7.229   7.458
  398    HD2  TYR  47           1HD      TYR  47   0.622  -7.532   7.515
  399    HE1  TYR  47           2HE      TYR  47  -3.665  -7.300   9.917
  400    HE2  TYR  47           1HE      TYR  47   0.593  -7.604   9.972
  401    HH   TYR  47           HH       TYR  47  -0.798  -6.998  11.821
  402    H    LEU  48           H        LEU  48  -3.751  -8.116   4.067
  403    HA   LEU  48           HA       LEU  48  -5.531  -9.246   5.931
  404    HB2  LEU  48           2HB      LEU  48  -6.034  -8.599   3.026
  405    HB3  LEU  48           1HB      LEU  48  -7.265  -8.858   4.246
  406    HG   LEU  48           HG       LEU  48  -5.285  -6.577   4.204
  407   HD11  LEU  48          1HD1      LEU  48  -6.986  -6.405   2.460
  408   HD12  LEU  48          2HD1      LEU  48  -7.227  -5.191   3.715
  409   HD13  LEU  48          3HD1      LEU  48  -8.251  -6.625   3.669
  410   HD21  LEU  48          3HD2      LEU  48  -6.619  -5.684   6.057
  411   HD22  LEU  48          1HD2      LEU  48  -5.865  -7.222   6.476
  412   HD23  LEU  48          2HD2      LEU  48  -7.581  -7.163   6.071
  413    H    ASP  49           H        ASP  49  -4.368 -10.402   2.806
  414    HA   ASP  49           HA       ASP  49  -5.976 -12.694   2.683
  415    HB2  ASP  49           2HB      ASP  49  -4.823 -11.798   0.736
  416    HB3  ASP  49           1HB      ASP  49  -3.263 -12.187   1.455
  417    H    ASN  50           H        ASN  50  -2.758 -12.191   4.061
  418    HA   ASN  50           HA       ASN  50  -2.369 -15.007   4.512
  419    HB2  ASN  50           2HB      ASN  50  -0.756 -12.553   5.116
  420    HB3  ASN  50           1HB      ASN  50  -0.326 -14.098   5.845
  421   HD21  ASN  50          1HD2      ASN  50  -0.512 -12.266   2.906
  422   HD22  ASN  50          2HD2      ASN  50   0.398 -13.369   1.928
  423    H    HIS  51           H        HIS  51  -3.553 -12.318   6.391
  424    HA   HIS  51           HA       HIS  51  -3.481 -13.946   8.823
  425    HB2  HIS  51           2HB      HIS  51  -4.124 -11.035   8.356
  426    HB3  HIS  51           1HB      HIS  51  -4.417 -11.828   9.899
  427    HD1  HIS  51           1HD      HIS  51  -2.487 -11.930  11.489
  428    HD2  HIS  51           2HD      HIS  51  -1.302 -11.036   7.601
  429    HE1  HIS  51           1HE      HIS  51  -0.041 -11.372  11.639
  430    HE2  HIS  51           2HE      HIS  51   0.704 -11.041   9.248
  431    H    ASP  52           H        ASP  52  -5.454 -13.545   6.251
  432    HA   ASP  52           HA       ASP  52  -7.585 -14.011   5.726
  433    HB2  ASP  52           2HB      ASP  52  -7.179 -16.093   6.862
  434    HB3  ASP  52           1HB      ASP  52  -7.559 -15.363   8.419
  435    H    LYS  53           H        LYS  53  -8.069 -13.602   9.201
  436    HA   LYS  53           HA       LYS  53  -9.133 -11.025   9.186
  437    HB2  LYS  53           2HB      LYS  53 -10.905 -12.171   7.778
  438    HB3  LYS  53           1HB      LYS  53 -11.304 -13.138   9.192
  439    HG2  LYS  53           2HG      LYS  53 -11.935 -11.148  10.417
  440    HG3  LYS  53           1HG      LYS  53 -11.450 -10.129   9.059
  441    HD2  LYS  53           2HD      LYS  53 -13.161 -11.258   7.665
  442    HD3  LYS  53           1HD      LYS  53 -13.679 -12.163   9.087
  443    HE2  LYS  53           2HE      LYS  53 -14.246 -10.077  10.218
  444    HE3  LYS  53           1HE      LYS  53 -13.702  -9.158   8.816
  445    HZ1  LYS  53           3HZ      LYS  53 -15.427 -10.309   7.503
  446    HZ2  LYS  53           1HZ      LYS  53 -16.074  -9.360   8.753
  447    HZ3  LYS  53           2HZ      LYS  53 -15.990 -11.048   8.918
  448    H    GLN  54           H        GLN  54  -8.987 -14.231  10.482
  449    HA   GLN  54           HA       GLN  54  -8.647 -13.113  13.144
  450    HB2  GLN  54           2HB      GLN  54 -10.099 -14.895  14.131
  451    HB3  GLN  54           1HB      GLN  54 -10.982 -13.687  13.206
  452    HG2  GLN  54           2HG      GLN  54 -11.264 -15.184  11.378
  453    HG3  GLN  54           1HG      GLN  54 -10.152 -16.351  12.090
  454   HE21  GLN  54          1HE2      GLN  54 -12.969 -16.609  11.264
  455   HE22  GLN  54          2HE2      GLN  54 -13.808 -17.174  12.664
  456    H    LYS  55           H        LYS  55  -7.203 -14.231  14.366
  457    HA   LYS  55           HA       LYS  55  -5.789 -16.425  13.034
  458    HB2  LYS  55           2HB      LYS  55  -3.961 -15.940  14.612
  459    HB3  LYS  55           1HB      LYS  55  -4.425 -14.503  13.714
  460    HG2  LYS  55           2HG      LYS  55  -5.628 -13.640  15.600
  461    HG3  LYS  55           1HG      LYS  55  -5.366 -15.134  16.502
  462    HD2  LYS  55           2HD      LYS  55  -2.946 -14.722  16.453
  463    HD3  LYS  55           1HD      LYS  55  -3.225 -13.217  15.576
  464    HE2  LYS  55           2HE      LYS  55  -2.873 -12.771  17.935
  465    HE3  LYS  55           1HE      LYS  55  -4.523 -12.362  17.472
  466    HZ1  LYS  55           3HZ      LYS  55  -3.696 -14.869  18.841
  467    HZ2  LYS  55           1HZ      LYS  55  -5.284 -14.438  18.432
  468    HZ3  LYS  55           2HZ      LYS  55  -4.433 -13.541  19.590
  469    H    LYS  56           H        LYS  56  -8.313 -16.899  14.282
  470    HA   LYS  56           HA       LYS  56  -9.399 -18.250  15.736
  471    HB2  LYS  56           2HB      LYS  56  -7.765 -19.990  15.307
  472    HB3  LYS  56           1HB      LYS  56  -6.623 -19.241  16.417
  473    HG2  LYS  56           2HG      LYS  56  -8.577 -19.562  18.138
  474    HG3  LYS  56           1HG      LYS  56  -9.077 -20.809  16.994
  475    HD2  LYS  56           2HD      LYS  56  -7.049 -21.997  17.263
  476    HD3  LYS  56           1HD      LYS  56  -6.285 -20.642  18.098
  477    HE2  LYS  56           2HE      LYS  56  -8.532 -22.374  19.118
  478    HE3  LYS  56           1HE      LYS  56  -6.875 -22.314  19.718
  479    HZ1  LYS  56           3HZ      LYS  56  -8.241 -21.049  21.181
  480    HZ2  LYS  56           1HZ      LYS  56  -8.917 -20.167  19.900
  481    HZ3  LYS  56           2HZ      LYS  56  -7.290 -19.948  20.309
  482    H1   GLY   2           1HT      GLY   2  16.553   5.321  19.384
  483    H2   GLY   2           2HT      GLY   2  14.977   5.036  18.835
  484    H3   GLY   2           3HT      GLY   2  15.464   6.608  19.240
  485    HA2  GLY   2           1HA      GLY   2  16.520   4.984  16.990
  486    HA3  GLY   2           2HA      GLY   2  15.391   6.325  16.845
  487    H    ARG   3           H        ARG   3  17.789   6.326  15.464
  488    HA   ARG   3           HA       ARG   3  18.999   8.711  16.577
  489    HB2  ARG   3           2HB      ARG   3  20.367   6.946  17.569
  490    HB3  ARG   3           1HB      ARG   3  20.636   6.239  15.982
  491    HG2  ARG   3           2HG      ARG   3  22.573   7.511  16.755
  492    HG3  ARG   3           1HG      ARG   3  21.883   8.201  15.285
  493    HD2  ARG   3           2HD      ARG   3  22.522   9.902  16.974
  494    HD3  ARG   3           1HD      ARG   3  20.811   9.951  16.545
  495    HE   ARG   3           HE       ARG   3  20.828   8.356  18.720
  496   HH11  ARG   3          1HH1      ARG   3  22.178  11.563  18.145
  497   HH12  ARG   3          2HH1      ARG   3  22.023  12.037  19.813
  498   HH21  ARG   3          1HH2      ARG   3  20.626   8.994  20.855
  499   HH22  ARG   3          2HH2      ARG   3  21.163  10.568  21.358
  500    HA   PRO   4           HA       PRO   4  18.856   9.340  12.112
  501    HB2  PRO   4           2HB      PRO   4  19.214  12.027  12.265
  502    HB3  PRO   4           1HB      PRO   4  17.641  11.254  12.498
  503    HG2  PRO   4           2HG      PRO   4  19.578  12.263  14.540
  504    HG3  PRO   4           1HG      PRO   4  17.810  12.393  14.512
  505    HD2  PRO   4           2HD      PRO   4  19.145  10.557  16.011
  506    HD3  PRO   4           1HD      PRO   4  17.519  10.281  15.357
  507    H    TYR   5           H        TYR   5  20.752   8.505  11.346
  508    HA   TYR   5           HA       TYR   5  23.300   9.409  12.327
  509    HB2  TYR   5           2HB      TYR   5  22.696   7.649   9.939
  510    HB3  TYR   5           1HB      TYR   5  24.255   7.828  10.733
  511    HD1  TYR   5           1HD      TYR   5  24.523   6.956  13.090
  512    HD2  TYR   5           2HD      TYR   5  21.103   6.094  10.708
  513    HE1  TYR   5           1HE      TYR   5  23.992   5.050  14.552
  514    HE2  TYR   5           2HE      TYR   5  20.561   4.187  12.163
  515    HH   TYR   5           HH       TYR   5  22.101   3.671  15.189
  516    H    LYS   6           H        LYS   6  21.845   9.366   9.082
  517    HA   LYS   6           HA       LYS   6  23.437  11.695   8.325
  518    HB2  LYS   6           2HB      LYS   6  22.545  11.246   6.055
  519    HB3  LYS   6           1HB      LYS   6  23.390   9.864   6.736
  520    HG2  LYS   6           2HG      LYS   6  21.199   8.902   7.377
  521    HG3  LYS   6           1HG      LYS   6  20.412  10.247   6.552
  522    HD2  LYS   6           2HD      LYS   6  22.280   8.254   5.260
  523    HD3  LYS   6           1HD      LYS   6  20.520   8.210   5.158
  524    HE2  LYS   6           2HE      LYS   6  20.551  10.408   4.058
  525    HE3  LYS   6           1HE      LYS   6  22.311  10.413   4.139
  526    HZ1  LYS   6           3HZ      LYS   6  20.612   8.510   2.611
  527    HZ2  LYS   6           1HZ      LYS   6  22.293   8.363   2.780
  528    HZ3  LYS   6           2HZ      LYS   6  21.638   9.699   1.972
  529    H    LEU   7           H        LEU   7  21.339  11.881  10.263
  530    HA   LEU   7           HA       LEU   7  19.614  13.181  10.915
  531    HB2  LEU   7           2HB      LEU   7  19.977  14.481   8.222
  532    HB3  LEU   7           1HB      LEU   7  18.867  15.056   9.451
  533    HG   LEU   7           HG       LEU   7  21.873  14.922   9.700
  534   HD11  LEU   7          1HD1      LEU   7  19.988  17.259   9.414
  535   HD12  LEU   7          2HD1      LEU   7  21.148  16.691   8.213
  536   HD13  LEU   7          3HD1      LEU   7  21.718  17.375   9.735
  537   HD21  LEU   7          3HD2      LEU   7  21.520  16.130  11.823
  538   HD22  LEU   7          1HD2      LEU   7  20.833  14.505  11.844
  539   HD23  LEU   7          2HD2      LEU   7  19.780  15.903  11.638
  540    H    LEU   8           H        LEU   8  19.286  12.027   7.594
  541    HA   LEU   8           HA       LEU   8  16.424  11.657   7.933
  542    HB2  LEU   8           2HB      LEU   8  18.238  10.931   5.624
  543    HB3  LEU   8           1HB      LEU   8  16.486  10.866   5.608
  544    HG   LEU   8           HG       LEU   8  18.136  13.376   5.903
  545   HD11  LEU   8          1HD1      LEU   8  17.334  13.904   3.657
  546   HD12  LEU   8          2HD1      LEU   8  16.539  12.332   3.570
  547   HD13  LEU   8          3HD1      LEU   8  18.297  12.426   3.669
  548   HD21  LEU   8          3HD2      LEU   8  15.158  13.002   5.611
  549   HD22  LEU   8          1HD2      LEU   8  16.007  14.548   5.622
  550   HD23  LEU   8          2HD2      LEU   8  15.998  13.535   7.066
  551    H    ASN   9           H        ASN   9  16.718  10.149   9.741
  552    HA   ASN   9           HA       ASN   9  17.778   7.517   9.119
  553    HB2  ASN   9           2HB      ASN   9  17.229   6.925  11.389
  554    HB3  ASN   9           1HB      ASN   9  17.958   8.527  11.415
  555   HD21  ASN   9          1HD2      ASN   9  15.073   6.682  11.920
  556   HD22  ASN   9          2HD2      ASN   9  14.132   7.952  12.630
  557    H    GLY  10           H        GLY  10  15.031   9.152   8.438
  558    HA2  GLY  10           2HA      GLY  10  13.598   6.762   7.694
  559    HA3  GLY  10           1HA      GLY  10  12.816   7.729   8.943
  560    H    ILE  11           H        ILE  11  12.088   7.170   6.094
  561    HA   ILE  11           HA       ILE  11  12.191   9.927   5.035
  562    HB   ILE  11           HB       ILE  11  12.012   7.540   3.225
  563   HG12  ILE  11          2HG1      ILE  11  13.994   7.157   4.667
  564   HG13  ILE  11          1HG1      ILE  11  14.424   7.442   2.985
  565   HG21  ILE  11          1HG2      ILE  11  13.060  10.344   2.911
  566   HG22  ILE  11          2HG2      ILE  11  11.600   9.656   2.195
  567   HG23  ILE  11          3HG2      ILE  11  13.187   9.097   1.675
  568   HD11  ILE  11          3HD1      ILE  11  15.938   8.576   4.523
  569   HD12  ILE  11          1HD1      ILE  11  14.578   9.477   5.196
  570   HD13  ILE  11          2HD1      ILE  11  15.053   9.726   3.516
  571    H    LYS  12           H        LYS  12  10.373  10.343   3.434
  572    HA   LYS  12           HA       LYS  12   7.919   9.374   4.708
  573    HB2  LYS  12           2HB      LYS  12   8.457  11.838   4.582
  574    HB3  LYS  12           1HB      LYS  12   8.280  11.722   2.841
  575    HG2  LYS  12           2HG      LYS  12   6.241  12.570   3.597
  576    HG3  LYS  12           1HG      LYS  12   5.929  10.861   3.290
  577    HD2  LYS  12           2HD      LYS  12   6.153  10.370   5.657
  578    HD3  LYS  12           1HD      LYS  12   6.556  12.057   5.987
  579    HE2  LYS  12           2HE      LYS  12   4.313  12.665   5.018
  580    HE3  LYS  12           1HE      LYS  12   3.935  10.945   5.004
  581    HZ1  LYS  12           3HZ      LYS  12   4.652  12.521   7.418
  582    HZ2  LYS  12           1HZ      LYS  12   4.224  10.882   7.393
  583    HZ3  LYS  12           2HZ      LYS  12   3.079  12.059   6.983
  584    H    LEU  13           H        LEU  13   6.276   8.464   3.602
  585    HA   LEU  13           HA       LEU  13   6.371   8.336   0.694
  586    HB2  LEU  13           2HB      LEU  13   5.752   5.910   0.780
  587    HB3  LEU  13           1HB      LEU  13   7.397   6.274   1.253
  588    HG   LEU  13           HG       LEU  13   5.259   5.903   3.330
  589   HD11  LEU  13          1HD1      LEU  13   6.951   3.736   2.088
  590   HD12  LEU  13          2HD1      LEU  13   5.213   3.930   1.866
  591   HD13  LEU  13          3HD1      LEU  13   5.862   3.549   3.461
  592   HD21  LEU  13          3HD2      LEU  13   7.394   6.853   4.058
  593   HD22  LEU  13          1HD2      LEU  13   8.251   5.495   3.328
  594   HD23  LEU  13          2HD2      LEU  13   7.181   5.222   4.702
  595    H    GLY  14           H        GLY  14   4.478   9.004  -0.066
  596    HA2  GLY  14           2HA      GLY  14   2.176   8.943   1.761
  597    HA3  GLY  14           1HA      GLY  14   2.364  10.030   0.393
  598    H    VAL  15           H        VAL  15   0.682   7.458   1.469
  599    HA   VAL  15           HA       VAL  15   0.514   6.128  -1.148
  600    HB   VAL  15           HB       VAL  15  -0.389   5.108   1.564
  601   HG11  VAL  15          1HG1      VAL  15  -0.592   2.946   0.454
  602   HG12  VAL  15          2HG1      VAL  15  -0.182   3.696  -1.088
  603   HG13  VAL  15          3HG1      VAL  15  -1.674   4.144  -0.257
  604   HG21  VAL  15          3HG2      VAL  15   2.065   4.437  -0.046
  605   HG22  VAL  15          1HG2      VAL  15   1.538   3.592   1.409
  606   HG23  VAL  15          2HG2      VAL  15   2.017   5.287   1.499
  607    H    TYR  16           H        TYR  16  -1.500   5.798  -2.131
  608    HA   TYR  16           HA       TYR  16  -3.808   7.135  -0.883
  609    HB2  TYR  16           2HB      TYR  16  -3.043   6.706  -3.727
  610    HB3  TYR  16           1HB      TYR  16  -4.755   6.625  -3.322
  611    HD1  TYR  16           1HD      TYR  16  -5.769   8.582  -2.082
  612    HD2  TYR  16           2HD      TYR  16  -2.012   8.789  -4.061
  613    HE1  TYR  16           1HE      TYR  16  -5.961  11.018  -2.152
  614    HE2  TYR  16           2HE      TYR  16  -2.192  11.240  -4.143
  615    HH   TYR  16           HH       TYR  16  -4.603  12.976  -2.390
  616    H    ILE  17           H        ILE  17  -5.435   5.915  -0.179
  617    HA   ILE  17           HA       ILE  17  -5.768   3.244  -1.315
  618    HB   ILE  17           HB       ILE  17  -6.063   2.165   0.824
  619   HG12  ILE  17          2HG1      ILE  17  -5.302   4.807   2.086
  620   HG13  ILE  17          1HG1      ILE  17  -6.910   4.090   2.106
  621   HG21  ILE  17          1HG2      ILE  17  -3.828   2.177  -0.116
  622   HG22  ILE  17          2HG2      ILE  17  -3.758   2.223   1.645
  623   HG23  ILE  17          3HG2      ILE  17  -3.466   3.691   0.714
  624   HD11  ILE  17          3HD1      ILE  17  -5.755   3.724   4.209
  625   HD12  ILE  17          1HD1      ILE  17  -4.441   2.910   3.359
  626   HD13  ILE  17          2HD1      ILE  17  -6.052   2.195   3.377
  627    HA   PRO  18           HA       PRO  18  -9.939   4.267  -1.714
  628    HB2  PRO  18           2HB      PRO  18 -10.637   1.494  -0.975
  629    HB3  PRO  18           1HB      PRO  18 -10.912   2.365  -2.486
  630    HG2  PRO  18           2HG      PRO  18  -9.056   0.456  -2.323
  631    HG3  PRO  18           1HG      PRO  18  -8.785   1.920  -3.287
  632    HD2  PRO  18           2HD      PRO  18  -7.754   1.230  -0.560
  633    HD3  PRO  18           1HD      PRO  18  -6.912   1.998  -1.926
  634    H    GLN  19           H        GLN  19 -12.109   4.138  -0.764
  635    HA   GLN  19           HA       GLN  19 -12.098   4.945   1.950
  636    HB2  GLN  19           2HB      GLN  19 -13.709   5.840   0.361
  637    HB3  GLN  19           1HB      GLN  19 -14.381   4.237   0.099
  638    HG2  GLN  19           2HG      GLN  19 -15.825   5.543   1.523
  639    HG3  GLN  19           1HG      GLN  19 -15.147   4.181   2.416
  640   HE21  GLN  19          1HE2      GLN  19 -13.696   4.560   4.066
  641   HE22  GLN  19          2HE2      GLN  19 -13.447   6.136   4.745
  642    H    GLU  20           H        GLU  20 -13.049   1.964   0.311
  643    HA   GLU  20           HA       GLU  20 -14.195   0.578   2.432
  644    HB2  GLU  20           2HB      GLU  20 -12.447  -0.534   0.230
  645    HB3  GLU  20           1HB      GLU  20 -13.532  -1.476   1.244
  646    HG2  GLU  20           2HG      GLU  20 -14.275   0.615  -0.783
  647    HG3  GLU  20           1HG      GLU  20 -14.593  -1.117  -0.855
  648    H    TRP  21           H        TRP  21 -10.881   1.299   1.759
  649    HA   TRP  21           HA       TRP  21  -9.758  -0.576   3.613
  650    HB2  TRP  21           2HB      TRP  21  -8.751   1.719   1.985
  651    HB3  TRP  21           1HB      TRP  21  -7.768   1.131   3.319
  652    HD1  TRP  21           HD       TRP  21  -9.721  -1.090   0.788
  653    HE1  TRP  21           1HE      TRP  21  -7.982  -2.568  -0.420
  654    HE3  TRP  21           3HE      TRP  21  -5.492   0.845   2.836
  655    HZ2  TRP  21           2HZ      TRP  21  -5.145  -2.844  -0.484
  656    HZ3  TRP  21           3HZ      TRP  21  -3.314  -0.044   2.156
  657    HH2  TRP  21           HH       TRP  21  -3.131  -1.827   0.536
  658    H    HIS  22           H        HIS  22 -10.324   2.935   3.576
  659    HA   HIS  22           HA       HIS  22  -9.283   3.476   6.120
  660    HB2  HIS  22           2HB      HIS  22 -11.315   4.888   4.414
  661    HB3  HIS  22           1HB      HIS  22 -10.933   5.470   6.034
  662    HD1  HIS  22           1HD      HIS  22  -8.995   6.999   6.220
  663    HD2  HIS  22           2HD      HIS  22  -8.910   4.788   2.691
  664    HE1  HIS  22           1HE      HIS  22  -7.048   7.890   4.905
  665    HE2  HIS  22           2HE      HIS  22  -7.103   6.639   2.719
  666    H    ASP  23           H        ASP  23 -12.450   2.379   5.108
  667    HA   ASP  23           HA       ASP  23 -13.811   2.722   7.538
  668    HB2  ASP  23           2HB      ASP  23 -14.905   2.273   5.371
  669    HB3  ASP  23           1HB      ASP  23 -14.250   0.641   5.383
  670    H    ARG  24           H        ARG  24 -12.464  -0.333   6.205
  671    HA   ARG  24           HA       ARG  24 -12.950  -1.648   8.709
  672    HB2  ARG  24           2HB      ARG  24 -11.991  -2.477   6.043
  673    HB3  ARG  24           1HB      ARG  24 -11.420  -3.444   7.396
  674    HG2  ARG  24           2HG      ARG  24 -13.371  -4.501   6.647
  675    HG3  ARG  24           1HG      ARG  24 -13.845  -3.631   8.107
  676    HD2  ARG  24           2HD      ARG  24 -15.567  -3.121   6.655
  677    HD3  ARG  24           1HD      ARG  24 -14.488  -1.740   6.450
  678    HE   ARG  24           HE       ARG  24 -13.996  -3.884   4.593
  679   HH11  ARG  24          1HH1      ARG  24 -15.901  -0.988   5.172
  680   HH12  ARG  24          2HH1      ARG  24 -16.225  -0.734   3.479
  681   HH21  ARG  24          1HH2      ARG  24 -14.467  -3.561   2.394
  682   HH22  ARG  24          2HH2      ARG  24 -15.422  -2.184   1.906
  683    H    LEU  25           H        LEU  25 -10.048  -0.398   7.096
  684    HA   LEU  25           HA       LEU  25  -8.219  -1.609   8.884
  685    HB2  LEU  25           2HB      LEU  25  -7.947   0.827   7.132
  686    HB3  LEU  25           1HB      LEU  25  -6.630   0.172   8.084
  687    HG   LEU  25           HG       LEU  25  -8.064  -1.256   5.844
  688   HD11  LEU  25          1HD1      LEU  25  -6.619   0.548   5.079
  689   HD12  LEU  25          2HD1      LEU  25  -5.928  -1.023   4.676
  690   HD13  LEU  25          3HD1      LEU  25  -5.289  -0.099   6.035
  691   HD21  LEU  25          3HD2      LEU  25  -6.365  -2.987   6.135
  692   HD22  LEU  25          1HD2      LEU  25  -7.327  -2.802   7.600
  693   HD23  LEU  25          2HD2      LEU  25  -5.704  -2.118   7.519
  694    H    MET  26           H        MET  26  -9.871   1.530   8.924
  695    HA   MET  26           HA       MET  26  -8.471   2.533  11.155
  696    HB2  MET  26           2HB      MET  26 -10.810   3.315   9.611
  697    HB3  MET  26           1HB      MET  26 -10.923   3.761  11.310
  698    HG2  MET  26           2HG      MET  26  -8.647   4.450   9.464
  699    HG3  MET  26           1HG      MET  26  -9.964   5.534   9.915
  700    HE1  MET  26           3HE      MET  26  -8.224   7.370  10.689
  701    HE2  MET  26           1HE      MET  26  -6.880   6.318  10.250
  702    HE3  MET  26           2HE      MET  26  -6.925   7.070  11.842
  703    H    GLU  27           H        GLU  27 -11.375   0.493  10.941
  704    HA   GLU  27           HA       GLU  27 -11.940   0.574  13.707
  705    HB2  GLU  27           2HB      GLU  27 -13.501  -0.440  12.096
  706    HB3  GLU  27           1HB      GLU  27 -12.355  -1.745  11.803
  707    HG2  GLU  27           2HG      GLU  27 -12.504  -2.238  14.284
  708    HG3  GLU  27           1HG      GLU  27 -13.881  -1.141  14.319
  709    H    ILE  28           H        ILE  28  -9.812  -1.499  11.797
  710    HA   ILE  28           HA       ILE  28  -8.921  -3.147  13.910
  711    HB   ILE  28           HB       ILE  28  -7.485  -2.366  11.362
  712   HG12  ILE  28          2HG1      ILE  28  -9.175  -4.803  11.982
  713   HG13  ILE  28          1HG1      ILE  28  -9.690  -3.436  10.999
  714   HG21  ILE  28          1HG2      ILE  28  -6.973  -4.672  13.241
  715   HG22  ILE  28          2HG2      ILE  28  -5.938  -3.260  13.014
  716   HG23  ILE  28          3HG2      ILE  28  -6.168  -4.408  11.693
  717   HD11  ILE  28          3HD1      ILE  28  -7.946  -3.937   9.378
  718   HD12  ILE  28          1HD1      ILE  28  -9.008  -5.323   9.626
  719   HD13  ILE  28          2HD1      ILE  28  -7.409  -5.292  10.368
  720    H    ALA  29           H        ALA  29  -7.906  -0.057  12.655
  721    HA   ALA  29           HA       ALA  29  -5.427   0.205  13.924
  722    HB1  ALA  29           1HB      ALA  29  -7.389   2.362  13.145
  723    HB2  ALA  29           2HB      ALA  29  -6.174   1.640  12.091
  724    HB3  ALA  29           3HB      ALA  29  -5.674   2.595  13.487
  725    H    LYS  30           H        LYS  30  -8.690   0.972  15.038
  726    HA   LYS  30           HA       LYS  30  -7.721   2.291  17.404
  727    HB2  LYS  30           2HB      LYS  30 -10.514   1.361  16.719
  728    HB3  LYS  30           1HB      LYS  30 -10.080   2.491  18.001
  729    HG2  LYS  30           2HG      LYS  30  -9.343   4.120  16.406
  730    HG3  LYS  30           1HG      LYS  30  -9.567   2.980  15.077
  731    HD2  LYS  30           2HD      LYS  30 -11.975   2.939  15.531
  732    HD3  LYS  30           1HD      LYS  30 -11.742   4.084  16.854
  733    HE2  LYS  30           2HE      LYS  30 -11.084   4.604  13.957
  734    HE3  LYS  30           1HE      LYS  30 -12.524   5.177  14.793
  735    HZ1  LYS  30           3HZ      LYS  30 -11.096   6.428  16.296
  736    HZ2  LYS  30           1HZ      LYS  30 -10.847   6.903  14.690
  737    HZ3  LYS  30           2HZ      LYS  30  -9.718   5.902  15.465
  738    H    GLU  31           H        GLU  31  -9.091  -0.814  16.569
  739    HA   GLU  31           HA       GLU  31  -9.306  -1.848  19.172
  740    HB2  GLU  31           2HB      GLU  31  -9.217  -3.021  16.430
  741    HB3  GLU  31           1HB      GLU  31  -9.066  -4.093  17.816
  742    HG2  GLU  31           2HG      GLU  31 -11.325  -2.145  17.439
  743    HG3  GLU  31           1HG      GLU  31 -11.382  -3.839  16.945
  744    H    LYS  32           H        LYS  32  -6.639  -1.961  16.826
  745    HA   LYS  32           HA       LYS  32  -5.132  -3.699  18.625
  746    HB2  LYS  32           2HB      LYS  32  -4.430  -2.798  15.837
  747    HB3  LYS  32           1HB      LYS  32  -3.650  -4.081  16.749
  748    HG2  LYS  32           2HG      LYS  32  -6.457  -4.067  15.659
  749    HG3  LYS  32           1HG      LYS  32  -5.099  -5.035  15.092
  750    HD2  LYS  32           2HD      LYS  32  -5.066  -6.239  17.225
  751    HD3  LYS  32           1HD      LYS  32  -6.414  -5.254  17.806
  752    HE2  LYS  32           2HE      LYS  32  -7.796  -6.097  15.943
  753    HE3  LYS  32           1HE      LYS  32  -6.455  -7.123  15.437
  754    HZ1  LYS  32           3HZ      LYS  32  -6.598  -8.290  17.557
  755    HZ2  LYS  32           1HZ      LYS  32  -8.076  -8.350  16.727
  756    HZ3  LYS  32           2HZ      LYS  32  -7.885  -7.298  18.038
  757    H    ASN  33           H        ASN  33  -5.473  -0.458  18.274
  758    HA   ASN  33           HA       ASN  33  -4.317   1.361  19.000
  759    HB2  ASN  33           2HB      ASN  33  -2.379  -0.691  20.093
  760    HB3  ASN  33           1HB      ASN  33  -2.258   1.039  20.394
  761   HD21  ASN  33          1HD2      ASN  33  -3.905  -1.892  21.146
  762   HD22  ASN  33          2HD2      ASN  33  -4.868  -1.269  22.439
  763    H    LEU  34           H        LEU  34  -4.145   1.039  16.473
  764    HA   LEU  34           HA       LEU  34  -1.375   1.634  15.721
  765    HB2  LEU  34           2HB      LEU  34  -3.246  -0.235  14.255
  766    HB3  LEU  34           1HB      LEU  34  -1.721   0.350  13.615
  767    HG   LEU  34           HG       LEU  34  -1.977  -1.316  16.119
  768   HD11  LEU  34          1HD1      LEU  34  -2.693  -2.571  14.146
  769   HD12  LEU  34          2HD1      LEU  34  -1.152  -3.165  14.763
  770   HD13  LEU  34          3HD1      LEU  34  -1.191  -2.143  13.326
  771   HD21  LEU  34          3HD2      LEU  34   0.444  -1.612  15.835
  772   HD22  LEU  34          1HD2      LEU  34   0.013   0.082  16.073
  773   HD23  LEU  34          2HD2      LEU  34   0.411  -0.507  14.459
  774    H    THR  35           H        THR  35  -1.303   2.769  13.553
  775    HA   THR  35           HA       THR  35  -3.834   4.181  13.006
  776    HB   THR  35           HB       THR  35  -2.600   5.986  12.016
  777    HG1  THR  35           1HG      THR  35  -0.090   4.876  12.656
  778   HG21  THR  35          3HG2      THR  35  -2.779   6.062  14.453
  779   HG22  THR  35          1HG2      THR  35  -1.278   6.807  13.905
  780   HG23  THR  35          2HG2      THR  35  -1.256   5.185  14.599
  781    H    LEU  36           H        LEU  36  -4.132   4.706  10.613
  782    HA   LEU  36           HA       LEU  36  -4.077   2.348   9.113
  783    HB2  LEU  36           2HB      LEU  36  -4.916   3.608   7.286
  784    HB3  LEU  36           1HB      LEU  36  -5.600   4.293   8.741
  785    HG   LEU  36           HG       LEU  36  -3.229   5.500   7.320
  786   HD11  LEU  36          1HD1      LEU  36  -5.179   5.445   5.839
  787   HD12  LEU  36          2HD1      LEU  36  -4.783   7.086   6.347
  788   HD13  LEU  36          3HD1      LEU  36  -6.141   6.241   7.086
  789   HD21  LEU  36          3HD2      LEU  36  -3.810   7.494   8.597
  790   HD22  LEU  36          1HD2      LEU  36  -3.494   6.135   9.677
  791   HD23  LEU  36          2HD2      LEU  36  -5.155   6.636   9.351
  792    H    SER  37           H        SER  37  -1.905   5.154   9.006
  793    HA   SER  37           HA       SER  37  -0.162   4.243   7.015
  794    HB2  SER  37           2HB      SER  37   0.528   5.905   9.455
  795    HB3  SER  37           1HB      SER  37   1.430   5.835   7.941
  796    HG   SER  37           HG       SER  37   0.217   7.476   7.443
  797    H    ASP  38           H        ASP  38  -0.178   3.697  10.521
  798    HA   ASP  38           HA       ASP  38   2.256   2.285  10.640
  799    HB2  ASP  38           2HB      ASP  38  -0.119   2.476  12.447
  800    HB3  ASP  38           1HB      ASP  38   1.097   1.241  12.755
  801    H    VAL  39           H        VAL  39  -1.085   1.181  10.177
  802    HA   VAL  39           HA       VAL  39  -0.514  -1.582  10.230
  803    HB   VAL  39           HB       VAL  39  -2.751  -0.135   8.793
  804   HG11  VAL  39          1HG1      VAL  39  -2.420  -2.379   7.895
  805   HG12  VAL  39          2HG1      VAL  39  -3.920  -2.282   8.816
  806   HG13  VAL  39          3HG1      VAL  39  -2.499  -3.051   9.523
  807   HG21  VAL  39          3HG2      VAL  39  -2.801   0.303  11.163
  808   HG22  VAL  39          1HG2      VAL  39  -2.629  -1.414  11.520
  809   HG23  VAL  39          2HG2      VAL  39  -4.101  -0.817  10.753
  810    H    CYS  40           H        CYS  40  -0.563   0.778   7.598
  811    HA   CYS  40           HA       CYS  40  -0.170  -1.061   5.495
  812    HB2  CYS  40           2HB      CYS  40  -0.857   1.476   5.480
  813    HB3  CYS  40           1HB      CYS  40   0.872   1.760   5.366
  814    HG   CYS  40           HG       CYS  40   0.047  -0.484   3.134
  815    H    ARG  41           H        ARG  41   2.153   1.072   7.137
  816    HA   ARG  41           HA       ARG  41   4.542   0.052   6.277
  817    HB2  ARG  41           2HB      ARG  41   4.399   2.009   7.691
  818    HB3  ARG  41           1HB      ARG  41   3.784   1.050   9.027
  819    HG2  ARG  41           2HG      ARG  41   6.443   0.355   7.909
  820    HG3  ARG  41           1HG      ARG  41   6.300   1.811   8.892
  821    HD2  ARG  41           2HD      ARG  41   5.429  -0.954   9.746
  822    HD3  ARG  41           1HD      ARG  41   6.955  -0.190  10.196
  823    HE   ARG  41           HE       ARG  41   4.514   1.246  10.874
  824   HH11  ARG  41          1HH1      ARG  41   7.117  -0.835  11.986
  825   HH12  ARG  41          2HH1      ARG  41   6.863  -0.462  13.660
  826   HH21  ARG  41          1HH2      ARG  41   4.175   1.714  13.083
  827   HH22  ARG  41          2HH2      ARG  41   5.169   0.934  14.282
  828    H    LEU  42           H        LEU  42   2.550  -1.238   8.946
  829    HA   LEU  42           HA       LEU  42   4.427  -3.241   9.686
  830    HB2  LEU  42           2HB      LEU  42   1.443  -3.085  10.118
  831    HB3  LEU  42           1HB      LEU  42   2.469  -4.323  10.816
  832    HG   LEU  42           HG       LEU  42   2.731  -1.363  11.341
  833   HD11  LEU  42          1HD1      LEU  42   1.844  -1.896  13.557
  834   HD12  LEU  42          2HD1      LEU  42   1.591  -3.568  13.055
  835   HD13  LEU  42          3HD1      LEU  42   0.680  -2.271  12.287
  836   HD21  LEU  42          3HD2      LEU  42   4.106  -3.752  12.580
  837   HD22  LEU  42          1HD2      LEU  42   4.245  -2.085  13.145
  838   HD23  LEU  42          2HD2      LEU  42   4.854  -2.530  11.550
  839    H    ALA  43           H        ALA  43   2.078  -2.969   7.223
  840    HA   ALA  43           HA       ALA  43   1.830  -5.736   6.657
  841    HB1  ALA  43           1HB      ALA  43   0.092  -4.136   6.051
  842    HB2  ALA  43           2HB      ALA  43   0.675  -5.018   4.638
  843    HB3  ALA  43           3HB      ALA  43   1.201  -3.359   4.922
  844    H    ILE  44           H        ILE  44   3.980  -3.151   5.466
  845    HA   ILE  44           HA       ILE  44   5.074  -4.805   3.398
  846    HB   ILE  44           HB       ILE  44   6.897  -3.200   3.180
  847   HG12  ILE  44          2HG1      ILE  44   5.672  -1.791   5.559
  848   HG13  ILE  44          1HG1      ILE  44   7.219  -2.630   5.547
  849   HG21  ILE  44          1HG2      ILE  44   4.215  -1.873   3.468
  850   HG22  ILE  44          2HG2      ILE  44   4.807  -2.745   2.052
  851   HG23  ILE  44          3HG2      ILE  44   5.583  -1.243   2.554
  852   HD11  ILE  44          3HD1      ILE  44   6.546  -0.209   3.890
  853   HD12  ILE  44          1HD1      ILE  44   8.106  -1.026   3.961
  854   HD13  ILE  44          2HD1      ILE  44   7.476  -0.201   5.387
  855    H    LYS  45           H        LYS  45   5.757  -4.249   6.764
  856    HA   LYS  45           HA       LYS  45   8.164  -5.641   6.995
  857    HB2  LYS  45           2HB      LYS  45   7.128  -4.359   8.838
  858    HB3  LYS  45           1HB      LYS  45   5.851  -5.562   8.948
  859    HG2  LYS  45           2HG      LYS  45   7.374  -6.000  10.701
  860    HG3  LYS  45           1HG      LYS  45   7.623  -7.253   9.485
  861    HD2  LYS  45           2HD      LYS  45   9.568  -6.067   8.633
  862    HD3  LYS  45           1HD      LYS  45   9.305  -4.768   9.800
  863    HE2  LYS  45           2HE      LYS  45  10.018  -7.637  10.391
  864    HE3  LYS  45           1HE      LYS  45  11.039  -6.219  10.627
  865    HZ1  LYS  45           3HZ      LYS  45  10.150  -6.806  12.728
  866    HZ2  LYS  45           1HZ      LYS  45   8.572  -6.938  12.117
  867    HZ3  LYS  45           2HZ      LYS  45   9.313  -5.415  12.232
  868    H    GLU  46           H        GLU  46   4.819  -6.766   7.038
  869    HA   GLU  46           HA       GLU  46   5.449  -9.536   7.298
  870    HB2  GLU  46           2HB      GLU  46   2.966  -8.012   6.529
  871    HB3  GLU  46           1HB      GLU  46   3.023  -9.769   6.474
  872    HG2  GLU  46           2HG      GLU  46   3.663  -8.177   8.937
  873    HG3  GLU  46           1HG      GLU  46   2.049  -8.782   8.558
  874    H    TYR  47           H        TYR  47   5.081  -7.285   4.690
  875    HA   TYR  47           HA       TYR  47   4.768  -9.089   2.574
  876    HB2  TYR  47           2HB      TYR  47   4.419  -6.627   2.397
  877    HB3  TYR  47           1HB      TYR  47   6.158  -6.396   2.521
  878    HD1  TYR  47           2HD      TYR  47   7.624  -6.957   0.645
  879    HD2  TYR  47           1HD      TYR  47   3.406  -7.459   0.364
  880    HE1  TYR  47           2HE      TYR  47   7.810  -7.148  -1.798
  881    HE2  TYR  47           1HE      TYR  47   3.587  -7.656  -2.079
  882    HH   TYR  47           HH       TYR  47   5.145  -6.985  -3.869
  883    H    LEU  48           H        LEU  48   7.649  -7.648   4.044
  884    HA   LEU  48           HA       LEU  48   9.528  -8.926   2.373
  885    HB2  LEU  48           2HB      LEU  48   9.914  -8.020   5.222
  886    HB3  LEU  48           1HB      LEU  48  11.176  -8.297   4.041
  887    HG   LEU  48           HG       LEU  48   9.096  -6.106   3.927
  888   HD11  LEU  48          1HD1      LEU  48  10.989  -4.607   4.299
  889   HD12  LEU  48          2HD1      LEU  48  12.062  -5.997   4.465
  890   HD13  LEU  48          3HD1      LEU  48  10.781  -5.726   5.647
  891   HD21  LEU  48          3HD2      LEU  48  10.375  -5.276   2.012
  892   HD22  LEU  48          1HD2      LEU  48   9.704  -6.878   1.698
  893   HD23  LEU  48          2HD2      LEU  48  11.415  -6.700   2.090
  894    H    ASP  49           H        ASP  49   8.317  -9.711   5.589
  895    HA   ASP  49           HA       ASP  49   9.886 -11.979   6.038
  896    HB2  ASP  49           2HB      ASP  49   8.716 -10.823   7.821
  897    HB3  ASP  49           1HB      ASP  49   7.164 -11.244   7.105
  898    H    ASN  50           H        ASN  50   6.624 -11.695   4.649
  899    HA   ASN  50           HA       ASN  50   6.320 -14.552   4.456
  900    HB2  ASN  50           2HB      ASN  50   4.627 -12.218   3.597
  901    HB3  ASN  50           1HB      ASN  50   4.230 -13.860   3.100
  902   HD21  ASN  50          1HD2      ASN  50   4.494 -11.663   5.786
  903   HD22  ASN  50          2HD2      ASN  50   3.599 -12.623   6.914
  904    H    HIS  51           H        HIS  51   7.396 -11.998   2.345
  905    HA   HIS  51           HA       HIS  51   7.315 -13.755   0.023
  906    HB2  HIS  51           2HB      HIS  51   7.970 -10.866   0.442
  907    HB3  HIS  51           1HB      HIS  51   8.598 -11.682  -0.984
  908    HD1  HIS  51           1HD      HIS  51   7.200 -10.856  -2.838
  909    HD2  HIS  51           2HD      HIS  51   4.916 -11.921   0.473
  910    HE1  HIS  51           1HE      HIS  51   4.798 -10.635  -3.570
  911    HE2  HIS  51           2HE      HIS  51   3.428 -11.166  -1.512
  912    H    ASP  52           H        ASP  52   9.269 -13.316   2.621
  913    HA   ASP  52           HA       ASP  52  11.319 -14.017   3.216
  914    HB2  ASP  52           2HB      ASP  52  10.726 -16.082   2.152
  915    HB3  ASP  52           1HB      ASP  52  11.149 -15.451   0.566
  916    H    LYS  53           H        LYS  53  11.862 -13.701  -0.278
  917    HA   LYS  53           HA       LYS  53  13.318 -11.344  -0.324
  918    HB2  LYS  53           2HB      LYS  53  14.934 -12.209   1.188
  919    HB3  LYS  53           1HB      LYS  53  14.936 -13.784   0.408
  920    HG2  LYS  53           2HG      LYS  53  15.936 -12.650  -1.608
  921    HG3  LYS  53           1HG      LYS  53  16.155 -11.225  -0.586
  922    HD2  LYS  53           2HD      LYS  53  17.588 -12.406   0.895
  923    HD3  LYS  53           1HD      LYS  53  17.187 -13.953   0.149
  924    HE2  LYS  53           2HE      LYS  53  18.248 -13.172  -1.941
  925    HE3  LYS  53           1HE      LYS  53  18.724 -11.689  -1.113
  926    HZ1  LYS  53           3HZ      LYS  53  20.060 -12.956   0.401
  927    HZ2  LYS  53           1HZ      LYS  53  20.497 -13.371  -1.184
  928    HZ3  LYS  53           2HZ      LYS  53  19.526 -14.419  -0.270
  929    H    GLN  54           H        GLN  54  13.509 -14.714  -1.354
  930    HA   GLN  54           HA       GLN  54  13.829 -13.786  -4.129
  931    HB2  GLN  54           2HB      GLN  54  15.177 -15.856  -4.493
  932    HB3  GLN  54           1HB      GLN  54  15.921 -14.697  -3.398
  933    HG2  GLN  54           2HG      GLN  54  15.163 -16.013  -1.488
  934    HG3  GLN  54           1HG      GLN  54  14.412 -17.170  -2.586
  935   HE21  GLN  54          1HE2      GLN  54  16.534 -17.500  -0.580
  936   HE22  GLN  54          2HE2      GLN  54  17.877 -18.186  -1.442
  937    H    LYS  55           H        LYS  55  13.222 -15.456  -5.738
  938    HA   LYS  55           HA       LYS  55  11.021 -17.191  -4.828
  939    HB2  LYS  55           2HB      LYS  55   9.733 -16.527  -6.830
  940    HB3  LYS  55           1HB      LYS  55  10.040 -15.148  -5.781
  941    HG2  LYS  55           2HG      LYS  55  11.750 -14.330  -7.218
  942    HG3  LYS  55           1HG      LYS  55  11.727 -15.807  -8.179
  943    HD2  LYS  55           2HD      LYS  55   9.327 -15.251  -8.742
  944    HD3  LYS  55           1HD      LYS  55   9.624 -13.666  -8.020
  945    HE2  LYS  55           2HE      LYS  55   9.934 -13.638 -10.458
  946    HE3  LYS  55           1HE      LYS  55  11.425 -13.257  -9.595
  947    HZ1  LYS  55           3HZ      LYS  55  12.150 -15.542  -9.918
  948    HZ2  LYS  55           1HZ      LYS  55  11.833 -14.803 -11.408
  949    HZ3  LYS  55           2HZ      LYS  55  10.723 -15.906 -10.752
  950    H    LYS  56           H        LYS  56  13.581 -18.068  -5.202
  951    HA   LYS  56           HA       LYS  56  14.994 -19.412  -6.348
  952    HB2  LYS  56           2HB      LYS  56  13.229 -20.967  -6.772
  953    HB3  LYS  56           1HB      LYS  56  12.525 -19.935  -8.009
  954    HG2  LYS  56           2HG      LYS  56  14.588 -20.284  -9.370
  955    HG3  LYS  56           1HG      LYS  56  15.109 -21.466  -8.168
  956    HD2  LYS  56           2HD      LYS  56  13.379 -22.940  -8.696
  957    HD3  LYS  56           1HD      LYS  56  12.432 -21.686  -9.503
  958    HE2  LYS  56           2HE      LYS  56  15.049 -22.820 -10.487
  959    HE3  LYS  56           1HE      LYS  56  13.452 -23.241 -11.106
  960    HZ1  LYS  56           3HZ      LYS  56  14.775 -20.583 -11.246
  961    HZ2  LYS  56           1HZ      LYS  56  13.167 -20.867 -11.695
  962    HZ3  LYS  56           2HZ      LYS  56  14.430 -21.615 -12.544
  Start of MODEL   10
    1    H1   GLY   2           1HT      GLY   2 -23.199  14.355 -10.359
    2    H2   GLY   2           2HT      GLY   2 -23.193  13.575  -8.855
    3    H3   GLY   2           3HT      GLY   2 -21.773  13.645  -9.779
    4    HA2  GLY   2           1HA      GLY   2 -21.744  16.068  -9.555
    5    HA3  GLY   2           2HA      GLY   2 -23.174  15.952  -8.540
    6    H    ARG   3           H        ARG   3 -19.761  15.218  -8.798
    7    HA   ARG   3           HA       ARG   3 -18.117  14.874  -7.276
    8    HB2  ARG   3           2HB      ARG   3 -20.130  16.077  -5.378
    9    HB3  ARG   3           1HB      ARG   3 -18.469  15.703  -4.938
   10    HG2  ARG   3           2HG      ARG   3 -17.638  17.295  -6.543
   11    HG3  ARG   3           1HG      ARG   3 -19.275  17.600  -7.133
   12    HD2  ARG   3           2HD      ARG   3 -18.348  18.111  -4.311
   13    HD3  ARG   3           1HD      ARG   3 -18.436  19.345  -5.569
   14    HE   ARG   3           HE       ARG   3 -20.925  18.435  -5.606
   15   HH11  ARG   3          1HH1      ARG   3 -18.908  19.305  -2.846
   16   HH12  ARG   3          2HH1      ARG   3 -20.270  19.722  -1.854
   17   HH21  ARG   3          1HH2      ARG   3 -22.685  18.971  -4.270
   18   HH22  ARG   3          2HH2      ARG   3 -22.397  19.531  -2.646
   19    HA   PRO   4           HA       PRO   4 -19.482  10.737  -6.068
   20    HB2  PRO   4           2HB      PRO   4 -16.572  10.282  -6.024
   21    HB3  PRO   4           1HB      PRO   4 -17.822   9.444  -6.948
   22    HG2  PRO   4           2HG      PRO   4 -16.077  11.107  -8.125
   23    HG3  PRO   4           1HG      PRO   4 -17.760  10.978  -8.674
   24    HD2  PRO   4           2HD      PRO   4 -16.473  13.081  -6.968
   25    HD3  PRO   4           1HD      PRO   4 -17.653  13.265  -8.282
   26    H    TYR   5           H        TYR   5 -20.147  11.477  -4.016
   27    HA   TYR   5           HA       TYR   5 -20.181  11.537  -1.762
   28    HB2  TYR   5           2HB      TYR   5 -17.576  10.006  -1.895
   29    HB3  TYR   5           1HB      TYR   5 -18.614  10.168  -0.483
   30    HD1  TYR   5           2HD      TYR   5 -21.157   9.397  -0.983
   31    HD2  TYR   5           1HD      TYR   5 -17.699   8.052  -3.057
   32    HE1  TYR   5           2HE      TYR   5 -22.359   7.362  -1.663
   33    HE2  TYR   5           1HE      TYR   5 -18.889   6.020  -3.742
   34    HH   TYR   5           HH       TYR   5 -22.219   5.681  -3.511
   35    H    LYS   6           H        LYS   6 -16.664  11.615  -2.105
   36    HA   LYS   6           HA       LYS   6 -16.668  14.195  -0.686
   37    HB2  LYS   6           2HB      LYS   6 -14.351  12.273  -0.944
   38    HB3  LYS   6           1HB      LYS   6 -14.505  13.625   0.171
   39    HG2  LYS   6           2HG      LYS   6 -16.364  12.452   1.290
   40    HG3  LYS   6           1HG      LYS   6 -16.114  11.081   0.210
   41    HD2  LYS   6           2HD      LYS   6 -13.793  10.893   1.073
   42    HD3  LYS   6           1HD      LYS   6 -14.153  12.188   2.215
   43    HE2  LYS   6           2HE      LYS   6 -15.968  10.813   3.161
   44    HE3  LYS   6           1HE      LYS   6 -15.525   9.508   2.063
   45    HZ1  LYS   6           3HZ      LYS   6 -13.292   9.544   3.101
   46    HZ2  LYS   6           1HZ      LYS   6 -14.526   9.100   4.168
   47    HZ3  LYS   6           2HZ      LYS   6 -13.866  10.659   4.236
   48    H    LEU   7           H        LEU   7 -14.477  12.470  -2.882
   49    HA   LEU   7           HA       LEU   7 -14.479  14.750  -4.693
   50    HB2  LEU   7           2HB      LEU   7 -12.640  15.218  -3.135
   51    HB3  LEU   7           1HB      LEU   7 -11.947  13.642  -3.470
   52    HG   LEU   7           HG       LEU   7 -11.697  14.365  -5.872
   53   HD11  LEU   7          1HD1      LEU   7 -11.706  16.784  -6.308
   54   HD12  LEU   7          2HD1      LEU   7 -12.388  17.056  -4.704
   55   HD13  LEU   7          3HD1      LEU   7 -13.308  16.162  -5.915
   56   HD21  LEU   7          3HD2      LEU   7  -9.828  14.339  -4.295
   57   HD22  LEU   7          1HD2      LEU   7 -10.224  15.986  -3.802
   58   HD23  LEU   7          2HD2      LEU   7  -9.686  15.663  -5.451
   59    H    LEU   8           H        LEU   8 -12.337  11.942  -4.281
   60    HA   LEU   8           HA       LEU   8 -13.492  10.723  -6.681
   61    HB2  LEU   8           2HB      LEU   8 -10.557  11.290  -6.246
   62    HB3  LEU   8           1HB      LEU   8 -11.163  10.196  -7.472
   63    HG   LEU   8           HG       LEU   8 -11.821  13.138  -7.346
   64   HD11  LEU   8          1HD1      LEU   8  -9.464  12.829  -7.810
   65   HD12  LEU   8          2HD1      LEU   8 -10.310  13.331  -9.275
   66   HD13  LEU   8          3HD1      LEU   8  -9.845  11.643  -9.059
   67   HD21  LEU   8          3HD2      LEU   8 -13.537  11.804  -8.445
   68   HD22  LEU   8          1HD2      LEU   8 -12.312  11.055  -9.469
   69   HD23  LEU   8          2HD2      LEU   8 -12.656  12.778  -9.624
   70    H    ASN   9           H        ASN   9 -13.195  10.341  -3.647
   71    HA   ASN   9           HA       ASN   9 -13.069   8.651  -2.156
   72    HB2  ASN   9           2HB      ASN   9 -13.503   7.044  -4.671
   73    HB3  ASN   9           1HB      ASN   9 -13.523   6.340  -3.054
   74   HD21  ASN   9          1HD2      ASN   9 -15.644   6.603  -5.085
   75   HD22  ASN   9          2HD2      ASN   9 -16.934   7.434  -4.293
   76    H    GLY  10           H        GLY  10 -10.795   9.488  -2.077
   77    HA2  GLY  10           2HA      GLY  10  -9.014   7.227  -1.952
   78    HA3  GLY  10           1HA      GLY  10  -8.542   8.436  -3.144
   79    H    ILE  11           H        ILE  11  -7.643   7.503  -0.281
   80    HA   ILE  11           HA       ILE  11  -7.742  10.172   0.978
   81    HB   ILE  11           HB       ILE  11  -7.514   7.538   2.433
   82   HG12  ILE  11          2HG1      ILE  11  -9.700   7.693   1.295
   83   HG13  ILE  11          1HG1      ILE  11  -9.863   7.785   3.044
   84   HG21  ILE  11          1HG2      ILE  11  -8.065   8.859   4.408
   85   HG22  ILE  11          2HG2      ILE  11  -8.135  10.316   3.418
   86   HG23  ILE  11          3HG2      ILE  11  -6.606   9.462   3.624
   87   HD11  ILE  11          3HD1      ILE  11 -11.331   9.372   1.961
   88   HD12  ILE  11          1HD1      ILE  11  -9.955  10.112   1.139
   89   HD13  ILE  11          2HD1      ILE  11 -10.090  10.213   2.893
   90    H    LYS  12           H        LYS  12  -5.897  10.984   1.905
   91    HA   LYS  12           HA       LYS  12  -3.415   9.680   1.045
   92    HB2  LYS  12           2HB      LYS  12  -3.881  12.010   0.282
   93    HB3  LYS  12           1HB      LYS  12  -3.869  12.528   1.961
   94    HG2  LYS  12           2HG      LYS  12  -1.758  13.078   1.081
   95    HG3  LYS  12           1HG      LYS  12  -1.510  11.654   2.093
   96    HD2  LYS  12           2HD      LYS  12  -1.542  10.233   0.098
   97    HD3  LYS  12           1HD      LYS  12  -1.794  11.659  -0.913
   98    HE2  LYS  12           2HE      LYS  12   0.350  12.569   0.012
   99    HE3  LYS  12           1HE      LYS  12   0.614  11.000   0.769
  100    HZ1  LYS  12           3HZ      LYS  12   1.791  11.099  -1.293
  101    HZ2  LYS  12           1HZ      LYS  12   0.395  11.553  -2.144
  102    HZ3  LYS  12           2HZ      LYS  12   0.511   9.999  -1.475
  103    H    LEU  13           H        LEU  13  -2.235   8.699   2.501
  104    HA   LEU  13           HA       LEU  13  -2.478   9.495   5.322
  105    HB2  LEU  13           2HB      LEU  13  -1.814   7.054   5.766
  106    HB3  LEU  13           1HB      LEU  13  -3.466   7.392   5.292
  107    HG   LEU  13           HG       LEU  13  -1.481   6.610   3.190
  108   HD11  LEU  13          1HD1      LEU  13  -2.010   4.260   3.568
  109   HD12  LEU  13          2HD1      LEU  13  -2.935   4.692   5.005
  110   HD13  LEU  13          3HD1      LEU  13  -1.192   4.958   4.967
  111   HD21  LEU  13          3HD2      LEU  13  -3.493   5.623   2.176
  112   HD22  LEU  13          1HD2      LEU  13  -3.701   7.347   2.494
  113   HD23  LEU  13          2HD2      LEU  13  -4.446   6.153   3.563
  114    H    GLY  14           H        GLY  14  -0.669   9.922   6.400
  115    HA2  GLY  14           2HA      GLY  14   1.832   9.764   4.864
  116    HA3  GLY  14           1HA      GLY  14   1.506  10.894   6.171
  117    H    VAL  15           H        VAL  15   3.575   8.695   5.591
  118    HA   VAL  15           HA       VAL  15   3.338   7.340   8.204
  119    HB   VAL  15           HB       VAL  15   4.698   6.064   5.837
  120   HG11  VAL  15          1HG1      VAL  15   4.258   3.989   7.067
  121   HG12  VAL  15          2HG1      VAL  15   3.474   4.918   8.344
  122   HG13  VAL  15          3HG1      VAL  15   5.197   5.131   8.028
  123   HG21  VAL  15          3HG2      VAL  15   2.395   6.523   5.143
  124   HG22  VAL  15          1HG2      VAL  15   1.800   5.696   6.582
  125   HG23  VAL  15          2HG2      VAL  15   2.682   4.795   5.348
  126    H    TYR  16           H        TYR  16   5.487   6.612   9.049
  127    HA   TYR  16           HA       TYR  16   7.769   8.058   7.921
  128    HB2  TYR  16           2HB      TYR  16   6.675   8.294  10.653
  129    HB3  TYR  16           1HB      TYR  16   8.422   8.095  10.546
  130    HD1  TYR  16           2HD      TYR  16   9.487   9.606   8.594
  131    HD2  TYR  16           1HD      TYR  16   5.909  10.468  10.720
  132    HE1  TYR  16           2HE      TYR  16   9.753  11.977   8.045
  133    HE2  TYR  16           1HE      TYR  16   6.162  12.855  10.188
  134    HH   TYR  16           HH       TYR  16   7.959  14.429   9.588
  135    H    ILE  17           H        ILE  17   9.374   6.754   7.484
  136    HA   ILE  17           HA       ILE  17   9.845   4.371   9.115
  137    HB   ILE  17           HB       ILE  17  10.126   2.980   7.082
  138   HG12  ILE  17          2HG1      ILE  17   8.821   5.333   5.697
  139   HG13  ILE  17          1HG1      ILE  17  10.475   4.780   5.463
  140   HG21  ILE  17          1HG2      ILE  17   7.718   2.639   6.648
  141   HG22  ILE  17          2HG2      ILE  17   7.378   4.139   7.507
  142   HG23  ILE  17          3HG2      ILE  17   8.095   2.774   8.364
  143   HD11  ILE  17          3HD1      ILE  17   8.000   3.216   4.775
  144   HD12  ILE  17          1HD1      ILE  17   9.666   2.712   4.495
  145   HD13  ILE  17          2HD1      ILE  17   9.011   4.107   3.637
  146    HA   PRO  18           HA       PRO  18  14.089   5.408   8.772
  147    HB2  PRO  18           2HB      PRO  18  14.663   2.581   8.064
  148    HB3  PRO  18           1HB      PRO  18  15.294   3.564   9.390
  149    HG2  PRO  18           2HG      PRO  18  13.479   1.673   9.851
  150    HG3  PRO  18           1HG      PRO  18  13.429   3.221  10.717
  151    HD2  PRO  18           2HD      PRO  18  11.751   2.272   8.429
  152    HD3  PRO  18           1HD      PRO  18  11.284   3.226   9.853
  153    H    GLN  19           H        GLN  19  15.738   5.847   7.326
  154    HA   GLN  19           HA       GLN  19  15.089   6.187   4.647
  155    HB2  GLN  19           2HB      GLN  19  16.817   7.506   5.682
  156    HB3  GLN  19           1HB      GLN  19  17.789   6.076   5.994
  157    HG2  GLN  19           2HG      GLN  19  18.676   7.354   4.137
  158    HG3  GLN  19           1HG      GLN  19  18.132   5.765   3.609
  159   HE21  GLN  19          1HE2      GLN  19  16.349   5.602   2.262
  160   HE22  GLN  19          2HE2      GLN  19  15.692   6.970   1.420
  161    H    GLU  20           H        GLU  20  17.067   3.632   6.142
  162    HA   GLU  20           HA       GLU  20  17.824   2.343   3.785
  163    HB2  GLU  20           2HB      GLU  20  17.396   1.179   6.539
  164    HB3  GLU  20           1HB      GLU  20  18.211   0.352   5.218
  165    HG2  GLU  20           2HG      GLU  20  19.099   2.955   6.437
  166    HG3  GLU  20           1HG      GLU  20  19.772   1.374   6.824
  167    H    TRP  21           H        TRP  21  14.784   2.301   5.468
  168    HA   TRP  21           HA       TRP  21  13.844  -0.089   4.120
  169    HB2  TRP  21           2HB      TRP  21  13.149   1.011   6.484
  170    HB3  TRP  21           1HB      TRP  21  11.930   1.760   5.459
  171    HD1  TRP  21           HD       TRP  21  13.253  -1.897   5.710
  172    HE1  TRP  21           1HE      TRP  21  11.214  -3.457   5.901
  173    HE3  TRP  21           3HE      TRP  21   9.533   1.592   5.596
  174    HZ2  TRP  21           2HZ      TRP  21   8.399  -3.238   5.988
  175    HZ3  TRP  21           3HZ      TRP  21   7.202   0.844   5.735
  176    HH2  TRP  21           HH       TRP  21   6.635  -1.517   5.929
  177    H    HIS  22           H        HIS  22  13.200   3.407   4.052
  178    HA   HIS  22           HA       HIS  22  11.510   3.630   1.878
  179    HB2  HIS  22           2HB      HIS  22  13.350   5.332   3.295
  180    HB3  HIS  22           1HB      HIS  22  13.510   5.627   1.566
  181    HD1  HIS  22           1HD      HIS  22  11.723   7.026   0.463
  182    HD2  HIS  22           2HD      HIS  22  10.755   5.877   4.343
  183    HE1  HIS  22           1HE      HIS  22   9.667   8.340   1.068
  184    HE2  HIS  22           2HE      HIS  22   9.219   7.773   3.478
  185    H    ASP  23           H        ASP  23  15.024   3.455   1.900
  186    HA   ASP  23           HA       ASP  23  15.452   3.830  -0.845
  187    HB2  ASP  23           2HB      ASP  23  17.141   4.178   0.925
  188    HB3  ASP  23           1HB      ASP  23  17.219   2.437   1.172
  189    H    ARG  24           H        ARG  24  15.175   0.840   1.067
  190    HA   ARG  24           HA       ARG  24  15.776  -0.836  -1.196
  191    HB2  ARG  24           2HB      ARG  24  14.955  -1.311   1.635
  192    HB3  ARG  24           1HB      ARG  24  14.768  -2.615   0.474
  193    HG2  ARG  24           2HG      ARG  24  16.893  -2.639   1.799
  194    HG3  ARG  24           1HG      ARG  24  17.097  -2.693   0.047
  195    HD2  ARG  24           2HD      ARG  24  17.863  -0.502  -0.055
  196    HD3  ARG  24           1HD      ARG  24  17.159  -0.086   1.506
  197    HE   ARG  24           HE       ARG  24  19.266  -2.066   1.597
  198   HH11  ARG  24          1HH1      ARG  24  18.577   1.357   1.576
  199   HH12  ARG  24          2HH1      ARG  24  19.863   1.771   2.667
  200   HH21  ARG  24          1HH2      ARG  24  21.007  -1.550   2.981
  201   HH22  ARG  24          2HH2      ARG  24  21.261   0.109   3.462
  202    H    LEU  25           H        LEU  25  12.866   0.427   0.283
  203    HA   LEU  25           HA       LEU  25  11.032  -1.115  -1.200
  204    HB2  LEU  25           2HB      LEU  25  10.848   1.721  -0.181
  205    HB3  LEU  25           1HB      LEU  25   9.513   0.880  -0.942
  206    HG   LEU  25           HG       LEU  25  10.861   0.088   1.639
  207   HD11  LEU  25          1HD1      LEU  25   8.718   0.682   2.659
  208   HD12  LEU  25          2HD1      LEU  25   8.126   1.229   1.090
  209   HD13  LEU  25          3HD1      LEU  25   9.469   2.068   1.866
  210   HD21  LEU  25          3HD2      LEU  25   9.152  -1.622   1.814
  211   HD22  LEU  25          1HD2      LEU  25  10.092  -1.851   0.340
  212   HD23  LEU  25          2HD2      LEU  25   8.480  -1.139   0.257
  213    H    MET  26           H        MET  26  12.757   1.883  -1.887
  214    HA   MET  26           HA       MET  26  11.632   2.399  -4.406
  215    HB2  MET  26           2HB      MET  26  14.314   3.171  -3.257
  216    HB3  MET  26           1HB      MET  26  13.677   3.791  -4.775
  217    HG2  MET  26           2HG      MET  26  12.355   4.109  -2.090
  218    HG3  MET  26           1HG      MET  26  13.351   5.332  -2.884
  219    HE1  MET  26           3HE      MET  26  12.670   6.465  -5.241
  220    HE2  MET  26           1HE      MET  26  11.196   6.049  -6.119
  221    HE3  MET  26           2HE      MET  26  12.482   4.857  -5.937
  222    H    GLU  27           H        GLU  27  14.355   0.370  -3.445
  223    HA   GLU  27           HA       GLU  27  15.350  -0.132  -6.030
  224    HB2  GLU  27           2HB      GLU  27  15.367  -1.991  -3.643
  225    HB3  GLU  27           1HB      GLU  27  16.361  -2.164  -5.080
  226    HG2  GLU  27           2HG      GLU  27  17.425   0.006  -4.542
  227    HG3  GLU  27           1HG      GLU  27  16.503   0.036  -3.038
  228    H    ILE  28           H        ILE  28  13.061  -1.932  -4.027
  229    HA   ILE  28           HA       ILE  28  12.397  -3.881  -5.973
  230    HB   ILE  28           HB       ILE  28  10.692  -2.854  -3.691
  231   HG12  ILE  28          2HG1      ILE  28  12.578  -5.219  -3.799
  232   HG13  ILE  28          1HG1      ILE  28  12.920  -3.694  -2.989
  233   HG21  ILE  28          1HG2      ILE  28   9.363  -4.086  -5.298
  234   HG22  ILE  28          2HG2      ILE  28   9.578  -5.047  -3.836
  235   HG23  ILE  28          3HG2      ILE  28  10.524  -5.412  -5.278
  236   HD11  ILE  28          3HD1      ILE  28  12.231  -5.413  -1.414
  237   HD12  ILE  28          1HD1      ILE  28  10.706  -5.610  -2.280
  238   HD13  ILE  28          2HD1      ILE  28  11.064  -4.092  -1.458
  239    H    ALA  29           H        ALA  29  11.215  -0.688  -5.271
  240    HA   ALA  29           HA       ALA  29   8.869  -0.688  -6.816
  241    HB1  ALA  29           1HB      ALA  29  10.665   1.625  -6.095
  242    HB2  ALA  29           2HB      ALA  29   9.363   0.979  -5.097
  243    HB3  ALA  29           3HB      ALA  29   8.992   1.739  -6.643
  244    H    LYS  30           H        LYS  30  12.228  -0.241  -7.672
  245    HA   LYS  30           HA       LYS  30  11.612   0.818 -10.273
  246    HB2  LYS  30           2HB      LYS  30  14.193  -0.207  -9.093
  247    HB3  LYS  30           1HB      LYS  30  14.055   0.461 -10.714
  248    HG2  LYS  30           2HG      LYS  30  13.189   2.571  -9.659
  249    HG3  LYS  30           1HG      LYS  30  13.628   1.879  -8.098
  250    HD2  LYS  30           2HD      LYS  30  15.510   2.380 -10.401
  251    HD3  LYS  30           1HD      LYS  30  15.375   3.368  -8.944
  252    HE2  LYS  30           2HE      LYS  30  16.111   1.516  -7.575
  253    HE3  LYS  30           1HE      LYS  30  16.132   0.447  -8.978
  254    HZ1  LYS  30           3HZ      LYS  30  18.348   1.186  -8.485
  255    HZ2  LYS  30           1HZ      LYS  30  17.877   2.815  -8.539
  256    HZ3  LYS  30           2HZ      LYS  30  17.856   1.881  -9.953
  257    H    GLU  31           H        GLU  31  12.474  -2.286  -8.903
  258    HA   GLU  31           HA       GLU  31  12.750  -3.716 -11.305
  259    HB2  GLU  31           2HB      GLU  31  11.671  -4.759  -8.682
  260    HB3  GLU  31           1HB      GLU  31  12.361  -5.716  -9.980
  261    HG2  GLU  31           2HG      GLU  31  14.535  -4.695  -9.590
  262    HG3  GLU  31           1HG      GLU  31  13.845  -3.720  -8.287
  263    H    LYS  32           H        LYS  32   9.947  -3.100  -9.234
  264    HA   LYS  32           HA       LYS  32   8.258  -4.748 -10.942
  265    HB2  LYS  32           2HB      LYS  32   7.922  -3.526  -8.220
  266    HB3  LYS  32           1HB      LYS  32   6.531  -4.131  -9.105
  267    HG2  LYS  32           2HG      LYS  32   7.371  -5.766  -7.507
  268    HG3  LYS  32           1HG      LYS  32   7.499  -6.359  -9.160
  269    HD2  LYS  32           2HD      LYS  32   9.864  -5.919  -9.193
  270    HD3  LYS  32           1HD      LYS  32   9.778  -5.112  -7.627
  271    HE2  LYS  32           2HE      LYS  32   9.284  -7.151  -6.511
  272    HE3  LYS  32           1HE      LYS  32   9.029  -7.996  -8.037
  273    HZ1  LYS  32           3HZ      LYS  32  11.331  -7.852  -8.540
  274    HZ2  LYS  32           1HZ      LYS  32  11.203  -8.458  -6.964
  275    HZ3  LYS  32           2HZ      LYS  32  11.644  -6.838  -7.215
  276    H    ASN  33           H        ASN  33   9.177  -1.598 -10.913
  277    HA   ASN  33           HA       ASN  33   8.442   0.331 -11.839
  278    HB2  ASN  33           2HB      ASN  33   6.539  -1.550 -13.246
  279    HB3  ASN  33           1HB      ASN  33   6.686   0.162 -13.633
  280   HD21  ASN  33          1HD2      ASN  33   7.218  -2.208 -15.270
  281   HD22  ASN  33          2HD2      ASN  33   8.862  -2.066 -15.793
  282    H    LEU  34           H        LEU  34   7.724   0.170  -9.398
  283    HA   LEU  34           HA       LEU  34   4.956   1.146  -9.236
  284    HB2  LEU  34           2HB      LEU  34   6.280  -0.810  -7.343
  285    HB3  LEU  34           1HB      LEU  34   4.728  -0.041  -7.065
  286    HG   LEU  34           HG       LEU  34   5.317  -1.913  -9.361
  287   HD11  LEU  34          1HD1      LEU  34   3.983  -3.543  -8.113
  288   HD12  LEU  34          2HD1      LEU  34   3.878  -2.418  -6.760
  289   HD13  LEU  34          3HD1      LEU  34   5.440  -3.085  -7.232
  290   HD21  LEU  34          3HD2      LEU  34   2.875  -1.945  -9.610
  291   HD22  LEU  34          1HD2      LEU  34   3.540  -0.329  -9.844
  292   HD23  LEU  34          2HD2      LEU  34   2.738  -0.742  -8.329
  293    H    THR  35           H        THR  35   4.636   2.416  -7.152
  294    HA   THR  35           HA       THR  35   7.186   3.603  -6.279
  295    HB   THR  35           HB       THR  35   5.862   5.431  -5.298
  296    HG1  THR  35           1HG      THR  35   3.652   3.983  -6.402
  297   HG21  THR  35          3HG2      THR  35   6.670   5.681  -7.579
  298   HG22  THR  35          1HG2      THR  35   5.100   6.460  -7.396
  299   HG23  THR  35          2HG2      THR  35   5.219   4.895  -8.198
  300    H    LEU  36           H        LEU  36   7.274   4.133  -3.865
  301    HA   LEU  36           HA       LEU  36   6.962   1.750  -2.409
  302    HB2  LEU  36           2HB      LEU  36   7.493   3.122  -0.409
  303    HB3  LEU  36           1HB      LEU  36   8.623   3.305  -1.730
  304    HG   LEU  36           HG       LEU  36   7.152   5.421  -2.288
  305   HD11  LEU  36          1HD1      LEU  36   6.687   5.041   0.667
  306   HD12  LEU  36          2HD1      LEU  36   5.456   5.055  -0.598
  307   HD13  LEU  36          3HD1      LEU  36   6.366   6.523  -0.233
  308   HD21  LEU  36          3HD2      LEU  36   8.693   6.761  -0.950
  309   HD22  LEU  36          1HD2      LEU  36   9.530   5.432  -1.752
  310   HD23  LEU  36          2HD2      LEU  36   9.151   5.327  -0.034
  311    H    SER  37           H        SER  37   4.897   4.545  -2.727
  312    HA   SER  37           HA       SER  37   3.004   3.986  -0.756
  313    HB2  SER  37           2HB      SER  37   2.488   5.204  -3.482
  314    HB3  SER  37           1HB      SER  37   1.511   5.417  -2.029
  315    HG   SER  37           HG       SER  37   2.778   7.003  -1.528
  316    H    ASP  38           H        ASP  38   3.307   2.817  -4.080
  317    HA   ASP  38           HA       ASP  38   0.883   1.361  -4.154
  318    HB2  ASP  38           2HB      ASP  38   3.452   0.914  -5.699
  319    HB3  ASP  38           1HB      ASP  38   1.924   0.108  -6.038
  320    H    VAL  39           H        VAL  39   4.203   0.458  -3.326
  321    HA   VAL  39           HA       VAL  39   3.727  -2.292  -2.982
  322    HB   VAL  39           HB       VAL  39   5.822  -0.593  -1.603
  323   HG11  VAL  39          1HG1      VAL  39   7.094  -2.677  -1.437
  324   HG12  VAL  39          2HG1      VAL  39   5.740  -3.560  -2.143
  325   HG13  VAL  39          3HG1      VAL  39   5.564  -2.783  -0.569
  326   HG21  VAL  39          3HG2      VAL  39   5.906  -0.340  -4.031
  327   HG22  VAL  39          1HG2      VAL  39   5.964  -2.092  -4.219
  328   HG23  VAL  39          2HG2      VAL  39   7.301  -1.245  -3.441
  329    H    CYS  40           H        CYS  40   3.376   0.448  -0.818
  330    HA   CYS  40           HA       CYS  40   3.086  -1.061   1.567
  331    HB2  CYS  40           2HB      CYS  40   3.612   1.491   1.142
  332    HB3  CYS  40           1HB      CYS  40   1.862   1.674   1.215
  333    HG   CYS  40           HG       CYS  40   1.682   1.681   3.762
  334    H    ARG  41           H        ARG  41   0.560   0.697  -0.302
  335    HA   ARG  41           HA       ARG  41  -1.628  -0.528   0.843
  336    HB2  ARG  41           2HB      ARG  41  -2.893   0.099  -1.155
  337    HB3  ARG  41           1HB      ARG  41  -1.839   1.400  -0.627
  338    HG2  ARG  41           2HG      ARG  41  -1.578   1.444  -2.909
  339    HG3  ARG  41           1HG      ARG  41  -0.204   0.460  -2.403
  340    HD2  ARG  41           2HD      ARG  41  -1.191  -0.628  -4.280
  341    HD3  ARG  41           1HD      ARG  41  -1.612  -1.577  -2.839
  342    HE   ARG  41           HE       ARG  41  -3.575   0.421  -3.658
  343   HH11  ARG  41          1HH1      ARG  41  -2.580  -2.931  -3.777
  344   HH12  ARG  41          2HH1      ARG  41  -4.099  -3.510  -4.392
  345   HH21  ARG  41          1HH2      ARG  41  -5.579  -0.316  -4.479
  346   HH22  ARG  41          2HH2      ARG  41  -5.811  -2.017  -4.794
  347    H    LEU  42           H        LEU  42   0.397  -1.754  -1.811
  348    HA   LEU  42           HA       LEU  42  -1.225  -4.016  -2.384
  349    HB2  LEU  42           2HB      LEU  42   1.710  -3.465  -2.803
  350    HB3  LEU  42           1HB      LEU  42   0.967  -4.980  -3.275
  351    HG   LEU  42           HG       LEU  42   0.106  -2.285  -4.329
  352   HD11  LEU  42          1HD1      LEU  42   2.403  -2.768  -4.998
  353   HD12  LEU  42          2HD1      LEU  42   1.302  -2.896  -6.371
  354   HD13  LEU  42          3HD1      LEU  42   1.905  -4.355  -5.587
  355   HD21  LEU  42          3HD2      LEU  42  -1.018  -3.635  -6.046
  356   HD22  LEU  42          1HD2      LEU  42  -1.625  -3.995  -4.431
  357   HD23  LEU  42          2HD2      LEU  42  -0.506  -5.106  -5.219
  358    H    ALA  43           H        ALA  43   0.951  -3.191   0.102
  359    HA   ALA  43           HA       ALA  43   1.658  -5.801   0.849
  360    HB1  ALA  43           1HB      ALA  43   1.827  -3.266   2.442
  361    HB2  ALA  43           2HB      ALA  43   3.083  -3.924   1.395
  362    HB3  ALA  43           3HB      ALA  43   2.608  -4.795   2.854
  363    H    ILE  44           H        ILE  44  -0.772  -3.490   2.032
  364    HA   ILE  44           HA       ILE  44  -1.664  -5.204   4.121
  365    HB   ILE  44           HB       ILE  44  -3.816  -3.754   3.953
  366   HG12  ILE  44          2HG1      ILE  44  -1.868  -2.187   2.260
  367   HG13  ILE  44          1HG1      ILE  44  -3.491  -2.719   1.818
  368   HG21  ILE  44          1HG2      ILE  44  -2.663  -1.960   5.246
  369   HG22  ILE  44          2HG2      ILE  44  -1.133  -2.739   4.834
  370   HG23  ILE  44          3HG2      ILE  44  -2.333  -3.604   5.792
  371   HD11  ILE  44          3HD1      ILE  44  -3.461  -0.343   2.309
  372   HD12  ILE  44          1HD1      ILE  44  -2.821  -0.670   3.923
  373   HD13  ILE  44          2HD1      ILE  44  -4.441  -1.215   3.488
  374    H    LYS  45           H        LYS  45  -2.516  -4.830   0.749
  375    HA   LYS  45           HA       LYS  45  -4.781  -6.471   0.751
  376    HB2  LYS  45           2HB      LYS  45  -4.099  -5.171  -1.218
  377    HB3  LYS  45           1HB      LYS  45  -2.681  -6.196  -1.409
  378    HG2  LYS  45           2HG      LYS  45  -4.485  -6.784  -2.963
  379    HG3  LYS  45           1HG      LYS  45  -4.080  -8.110  -1.869
  380    HD2  LYS  45           2HD      LYS  45  -5.998  -7.436  -0.437
  381    HD3  LYS  45           1HD      LYS  45  -6.433  -6.232  -1.652
  382    HE2  LYS  45           2HE      LYS  45  -6.754  -7.976  -3.302
  383    HE3  LYS  45           1HE      LYS  45  -6.228  -9.197  -2.146
  384    HZ1  LYS  45           3HZ      LYS  45  -8.626  -9.139  -2.304
  385    HZ2  LYS  45           1HZ      LYS  45  -8.650  -7.492  -1.897
  386    HZ3  LYS  45           2HZ      LYS  45  -8.140  -8.643  -0.759
  387    H    GLU  46           H        GLU  46  -1.342  -7.237   0.613
  388    HA   GLU  46           HA       GLU  46  -1.661 -10.060   0.373
  389    HB2  GLU  46           2HB      GLU  46   0.415  -8.902  -0.280
  390    HB3  GLU  46           1HB      GLU  46   0.671  -8.412   1.389
  391    HG2  GLU  46           2HG      GLU  46   2.108 -10.239   0.961
  392    HG3  GLU  46           1HG      GLU  46   0.811 -10.834   1.993
  393    H    TYR  47           H        TYR  47  -1.372  -7.759   2.993
  394    HA   TYR  47           HA       TYR  47  -1.007  -9.530   5.118
  395    HB2  TYR  47           2HB      TYR  47  -0.719  -7.077   5.274
  396    HB3  TYR  47           1HB      TYR  47  -2.460  -6.876   5.125
  397    HD1  TYR  47           1HD      TYR  47   0.270  -7.931   7.332
  398    HD2  TYR  47           2HD      TYR  47  -3.932  -7.343   7.003
  399    HE1  TYR  47           1HE      TYR  47   0.067  -8.064   9.777
  400    HE2  TYR  47           2HE      TYR  47  -4.147  -7.483   9.450
  401    HH   TYR  47           HH       TYR  47  -1.497  -7.287  11.539
  402    H    LEU  48           H        LEU  48  -3.949  -8.195   3.679
  403    HA   LEU  48           HA       LEU  48  -5.778  -9.483   5.407
  404    HB2  LEU  48           2HB      LEU  48  -6.186  -8.568   2.555
  405    HB3  LEU  48           1HB      LEU  48  -7.460  -8.978   3.687
  406    HG   LEU  48           HG       LEU  48  -5.541  -6.662   3.940
  407   HD11  LEU  48          1HD1      LEU  48  -7.221  -6.365   2.201
  408   HD12  LEU  48          2HD1      LEU  48  -7.520  -5.294   3.570
  409   HD13  LEU  48          3HD1      LEU  48  -8.494  -6.749   3.358
  410   HD21  LEU  48          3HD2      LEU  48  -6.928  -6.004   5.855
  411   HD22  LEU  48          1HD2      LEU  48  -6.129  -7.553   6.131
  412   HD23  LEU  48          2HD2      LEU  48  -7.840  -7.506   5.707
  413    H    ASP  49           H        ASP  49  -4.623 -10.303   2.157
  414    HA   ASP  49           HA       ASP  49  -6.127 -12.657   1.858
  415    HB2  ASP  49           2HB      ASP  49  -5.049 -11.433   0.003
  416    HB3  ASP  49           1HB      ASP  49  -3.478 -11.971   0.588
  417    H    ASN  50           H        ASN  50  -3.061 -12.053   3.422
  418    HA   ASN  50           HA       ASN  50  -2.266 -14.798   3.578
  419    HB2  ASN  50           2HB      ASN  50  -0.617 -12.982   3.673
  420    HB3  ASN  50           1HB      ASN  50  -1.339 -12.392   5.167
  421   HD21  ASN  50          1HD2      ASN  50   0.393 -12.658   6.472
  422   HD22  ASN  50          2HD2      ASN  50   1.089 -14.191   6.864
  423    H    HIS  51           H        HIS  51  -4.110 -12.610   5.606
  424    HA   HIS  51           HA       HIS  51  -4.093 -14.504   7.817
  425    HB2  HIS  51           2HB      HIS  51  -5.241 -11.742   7.475
  426    HB3  HIS  51           1HB      HIS  51  -5.648 -12.745   8.864
  427    HD1  HIS  51           1HD      HIS  51  -4.237 -12.296  10.830
  428    HD2  HIS  51           2HD      HIS  51  -2.210 -11.560   7.271
  429    HE1  HIS  51           1HE      HIS  51  -1.952 -11.456  11.501
  430    HE2  HIS  51           2HE      HIS  51  -0.692 -11.184   9.326
  431    H    ASP  52           H        ASP  52  -6.165 -13.454   5.236
  432    HA   ASP  52           HA       ASP  52  -8.355 -15.120   6.244
  433    HB2  ASP  52           2HB      ASP  52  -8.721 -12.761   5.304
  434    HB3  ASP  52           1HB      ASP  52  -8.371 -13.457   3.725
  435    H    LYS  53           H        LYS  53  -7.176 -17.078   5.944
  436    HA   LYS  53           HA       LYS  53  -6.255 -17.780   3.284
  437    HB2  LYS  53           2HB      LYS  53  -6.308 -19.447   5.808
  438    HB3  LYS  53           1HB      LYS  53  -5.454 -19.842   4.325
  439    HG2  LYS  53           2HG      LYS  53  -3.991 -17.925   4.627
  440    HG3  LYS  53           1HG      LYS  53  -4.873 -17.469   6.087
  441    HD2  LYS  53           2HD      LYS  53  -4.250 -19.645   7.094
  442    HD3  LYS  53           1HD      LYS  53  -3.297 -20.006   5.655
  443    HE2  LYS  53           2HE      LYS  53  -2.847 -17.649   7.484
  444    HE3  LYS  53           1HE      LYS  53  -1.937 -19.157   7.537
  445    HZ1  LYS  53           3HZ      LYS  53  -2.063 -17.320   5.207
  446    HZ2  LYS  53           1HZ      LYS  53  -1.142 -18.741   5.309
  447    HZ3  LYS  53           2HZ      LYS  53  -0.778 -17.419   6.304
  448    H    GLN  54           H        GLN  54  -8.803 -18.648   5.523
  449    HA   GLN  54           HA       GLN  54 -10.815 -19.659   5.265
  450    HB2  GLN  54           2HB      GLN  54 -10.179 -19.358   2.331
  451    HB3  GLN  54           1HB      GLN  54 -11.707 -19.978   2.935
  452    HG2  GLN  54           2HG      GLN  54 -12.150 -17.879   4.053
  453    HG3  GLN  54           1HG      GLN  54 -10.587 -17.252   3.532
  454   HE21  GLN  54          1HE2      GLN  54 -11.519 -15.556   2.444
  455   HE22  GLN  54          2HE2      GLN  54 -12.357 -15.770   0.939
  456    H    LYS  55           H        LYS  55 -11.867 -21.662   4.081
  457    HA   LYS  55           HA       LYS  55  -9.856 -23.769   3.664
  458    HB2  LYS  55           2HB      LYS  55 -12.284 -24.022   5.455
  459    HB3  LYS  55           1HB      LYS  55 -11.198 -25.335   5.028
  460    HG2  LYS  55           2HG      LYS  55  -9.358 -24.147   6.160
  461    HG3  LYS  55           1HG      LYS  55 -10.494 -22.884   6.632
  462    HD2  LYS  55           2HD      LYS  55 -10.202 -24.406   8.472
  463    HD3  LYS  55           1HD      LYS  55 -11.831 -24.590   7.823
  464    HE2  LYS  55           2HE      LYS  55 -10.906 -26.771   8.275
  465    HE3  LYS  55           1HE      LYS  55 -11.059 -26.551   6.532
  466    HZ1  LYS  55           3HZ      LYS  55  -8.691 -25.990   6.456
  467    HZ2  LYS  55           1HZ      LYS  55  -8.948 -27.550   7.069
  468    HZ3  LYS  55           2HZ      LYS  55  -8.564 -26.273   8.121
  469    H    LYS  56           H        LYS  56 -11.627 -22.140   1.990
  470    HA   LYS  56           HA       LYS  56 -13.038 -22.268   0.228
  471    HB2  LYS  56           2HB      LYS  56 -13.013 -25.272   0.487
  472    HB3  LYS  56           1HB      LYS  56 -13.364 -24.317  -0.943
  473    HG2  LYS  56           2HG      LYS  56 -11.041 -23.611  -1.064
  474    HG3  LYS  56           1HG      LYS  56 -10.674 -24.533   0.395
  475    HD2  LYS  56           2HD      LYS  56 -11.498 -25.569  -2.307
  476    HD3  LYS  56           1HD      LYS  56 -10.005 -25.891  -1.427
  477    HE2  LYS  56           2HE      LYS  56 -12.773 -26.826  -0.695
  478    HE3  LYS  56           1HE      LYS  56 -11.460 -27.819  -1.326
  479    HZ1  LYS  56           3HZ      LYS  56 -10.203 -27.399   0.676
  480    HZ2  LYS  56           1HZ      LYS  56 -11.719 -28.040   1.072
  481    HZ3  LYS  56           2HZ      LYS  56 -11.427 -26.385   1.279
  482    H1   GLY   2           1HT      GLY   2  25.953  15.026  16.077
  483    H2   GLY   2           2HT      GLY   2  26.193  15.012  14.397
  484    H3   GLY   2           3HT      GLY   2  25.174  13.871  15.114
  485    HA2  GLY   2           1HA      GLY   2  23.579  15.517  15.697
  486    HA3  GLY   2           2HA      GLY   2  24.670  16.790  15.166
  487    H    ARG   3           H        ARG   3  21.922  16.004  14.308
  488    HA   ARG   3           HA       ARG   3  20.681  15.906  12.412
  489    HB2  ARG   3           2HB      ARG   3  23.273  16.719  11.085
  490    HB3  ARG   3           1HB      ARG   3  21.696  16.737  10.311
  491    HG2  ARG   3           2HG      ARG   3  20.923  18.468  11.760
  492    HG3  ARG   3           1HG      ARG   3  22.374  18.348  12.761
  493    HD2  ARG   3           2HD      ARG   3  22.317  19.159   9.858
  494    HD3  ARG   3           1HD      ARG   3  22.454  20.273  11.222
  495    HE   ARG   3           HE       ARG   3  24.525  18.670  11.686
  496   HH11  ARG   3          1HH1      ARG   3  23.520  20.320   8.745
  497   HH12  ARG   3          2HH1      ARG   3  25.107  20.278   8.038
  498   HH21  ARG   3          1HH2      ARG   3  26.612  18.664  10.767
  499   HH22  ARG   3          2HH2      ARG   3  26.848  19.311   9.170
  500    HA   PRO   4           HA       PRO   4  22.134  11.602  11.693
  501    HB2  PRO   4           2HB      PRO   4  19.577  10.595  11.570
  502    HB3  PRO   4           1HB      PRO   4  20.535  10.728  13.047
  503    HG2  PRO   4           2HG      PRO   4  18.366  12.493  12.026
  504    HG3  PRO   4           1HG      PRO   4  18.740  12.015  13.690
  505    HD2  PRO   4           2HD      PRO   4  19.384  14.447  12.673
  506    HD3  PRO   4           1HD      PRO   4  20.344  13.642  13.931
  507    H    TYR   5           H        TYR   5  22.901  12.105   9.668
  508    HA   TYR   5           HA       TYR   5  23.052  12.061   7.432
  509    HB2  TYR   5           2HB      TYR   5  20.670  10.256   7.794
  510    HB3  TYR   5           1HB      TYR   5  21.396  10.557   6.217
  511    HD1  TYR   5           1HD      TYR   5  21.956   9.061   9.545
  512    HD2  TYR   5           2HD      TYR   5  23.477   9.568   5.603
  513    HE1  TYR   5           1HE      TYR   5  23.622   7.302   9.967
  514    HE2  TYR   5           2HE      TYR   5  25.148   7.812   6.014
  515    HH   TYR   5           HH       TYR   5  26.264   6.729   7.837
  516    H    LYS   6           H        LYS   6  19.581  11.829   7.047
  517    HA   LYS   6           HA       LYS   6  19.751  14.359   5.583
  518    HB2  LYS   6           2HB      LYS   6  17.728  12.130   5.370
  519    HB3  LYS   6           1HB      LYS   6  17.721  13.602   4.405
  520    HG2  LYS   6           2HG      LYS   6  19.913  12.990   3.488
  521    HG3  LYS   6           1HG      LYS   6  19.869  11.491   4.420
  522    HD2  LYS   6           2HD      LYS   6  17.825  10.829   3.230
  523    HD3  LYS   6           1HD      LYS   6  17.905  12.318   2.283
  524    HE2  LYS   6           2HE      LYS   6  20.079  11.629   1.396
  525    HE3  LYS   6           1HE      LYS   6  19.989  10.140   2.335
  526    HZ1  LYS   6           3HZ      LYS   6  17.902   9.640   1.091
  527    HZ2  LYS   6           1HZ      LYS   6  19.309   9.644   0.140
  528    HZ3  LYS   6           2HZ      LYS   6  18.240  10.959   0.082
  529    H    LEU   7           H        LEU   7  17.829  12.739   8.079
  530    HA   LEU   7           HA       LEU   7  16.720  15.319   8.812
  531    HB2  LEU   7           2HB      LEU   7  15.152  14.435   7.124
  532    HB3  LEU   7           1HB      LEU   7  14.929  12.996   8.101
  533    HG   LEU   7           HG       LEU   7  13.937  14.374   9.893
  534   HD11  LEU   7          1HD1      LEU   7  13.335  16.698   9.450
  535   HD12  LEU   7          2HD1      LEU   7  14.188  16.633   7.908
  536   HD13  LEU   7          3HD1      LEU   7  15.085  16.476   9.416
  537   HD21  LEU   7          3HD2      LEU   7  11.833  14.839   8.756
  538   HD22  LEU   7          1HD2      LEU   7  12.514  13.305   8.221
  539   HD23  LEU   7          2HD2      LEU   7  12.642  14.733   7.192
  540    H    LEU   8           H        LEU   8  15.309  12.212   9.659
  541    HA   LEU   8           HA       LEU   8  16.608  12.271  12.281
  542    HB2  LEU   8           2HB      LEU   8  13.618  12.308  11.842
  543    HB3  LEU   8           1HB      LEU   8  14.373  11.914  13.373
  544    HG   LEU   8           HG       LEU   8  14.655  14.569  11.961
  545   HD11  LEU   8          1HD1      LEU   8  12.364  14.231  12.669
  546   HD12  LEU   8          2HD1      LEU   8  13.151  15.414  13.714
  547   HD13  LEU   8          3HD1      LEU   8  12.905  13.761  14.281
  548   HD21  LEU   8          3HD2      LEU   8  16.552  14.044  13.391
  549   HD22  LEU   8          1HD2      LEU   8  15.464  13.669  14.727
  550   HD23  LEU   8          2HD2      LEU   8  15.571  15.319  14.115
  551    H    ASN   9           H        ASN   9  17.240  10.521  10.348
  552    HA   ASN   9           HA       ASN   9  17.381   8.343   9.728
  553    HB2  ASN   9           2HB      ASN   9  16.180   7.868  12.467
  554    HB3  ASN   9           1HB      ASN   9  16.890   6.621  11.451
  555   HD21  ASN   9          1HD2      ASN   9  19.137   6.653  11.072
  556   HD22  ASN   9          2HD2      ASN   9  20.210   7.487  12.148
  557    H    GLY  10           H        GLY  10  14.996   9.850   9.044
  558    HA2  GLY  10           2HA      GLY  10  13.327   7.682   8.177
  559    HA3  GLY  10           1HA      GLY  10  12.570   8.690   9.401
  560    H    ILE  11           H        ILE  11  11.873   8.250   6.611
  561    HA   ILE  11           HA       ILE  11  12.061  11.012   5.584
  562    HB   ILE  11           HB       ILE  11  11.924   8.506   3.886
  563   HG12  ILE  11          2HG1      ILE  11  14.067   8.568   5.074
  564   HG13  ILE  11          1HG1      ILE  11  14.287   8.860   3.352
  565   HG21  ILE  11          1HG2      ILE  11  12.605  10.037   2.061
  566   HG22  ILE  11          2HG2      ILE  11  12.438  11.388   3.182
  567   HG23  ILE  11          3HG2      ILE  11  11.028  10.421   2.748
  568   HD11  ILE  11          3HD1      ILE  11  15.693  10.329   4.679
  569   HD12  ILE  11          1HD1      ILE  11  14.270  10.963   5.507
  570   HD13  ILE  11          2HD1      ILE  11  14.487  11.253   3.781
  571    H    LYS  12           H        LYS  12  10.194  11.521   4.089
  572    HA   LYS  12           HA       LYS  12   7.761  10.584   5.430
  573    HB2  LYS  12           2HB      LYS  12   8.179  12.975   5.510
  574    HB3  LYS  12           1HB      LYS  12   8.342  13.041   3.763
  575    HG2  LYS  12           2HG      LYS  12   6.219  13.902   4.232
  576    HG3  LYS  12           1HG      LYS  12   5.933  12.262   3.653
  577    HD2  LYS  12           2HD      LYS  12   5.727  11.495   5.981
  578    HD3  LYS  12           1HD      LYS  12   5.984  13.153   6.537
  579    HE2  LYS  12           2HE      LYS  12   3.986  13.796   5.137
  580    HE3  LYS  12           1HE      LYS  12   3.679  12.073   4.933
  581    HZ1  LYS  12           3HZ      LYS  12   3.758  13.547   7.512
  582    HZ2  LYS  12           1HZ      LYS  12   3.531  11.872   7.362
  583    HZ3  LYS  12           2HZ      LYS  12   2.372  12.944   6.742
  584    H    LEU  13           H        LEU  13   6.092   9.681   4.368
  585    HA   LEU  13           HA       LEU  13   6.086   9.601   1.456
  586    HB2  LEU  13           2HB      LEU  13   5.647   7.175   1.437
  587    HB3  LEU  13           1HB      LEU  13   7.249   7.569   2.029
  588    HG   LEU  13           HG       LEU  13   5.004   7.057   3.954
  589   HD11  LEU  13          1HD1      LEU  13   5.658   4.714   4.023
  590   HD12  LEU  13          2HD1      LEU  13   6.798   4.981   2.705
  591   HD13  LEU  13          3HD1      LEU  13   5.066   5.151   2.420
  592   HD21  LEU  13          3HD2      LEU  13   6.850   6.378   5.404
  593   HD22  LEU  13          1HD2      LEU  13   7.088   8.024   4.813
  594   HD23  LEU  13          2HD2      LEU  13   7.998   6.688   4.101
  595    H    GLY  14           H        GLY  14   4.025   8.725   0.606
  596    HA2  GLY  14           2HA      GLY  14   1.778   8.835   2.467
  597    HA3  GLY  14           1HA      GLY  14   1.839  10.083   1.235
  598    H    VAL  15           H        VAL  15   0.315   7.381   1.929
  599    HA   VAL  15           HA       VAL  15   0.401   6.266  -0.797
  600    HB   VAL  15           HB       VAL  15  -0.569   4.925   1.747
  601   HG11  VAL  15          1HG1      VAL  15  -0.587   2.870   0.437
  602   HG12  VAL  15          2HG1      VAL  15  -0.139   3.779  -1.006
  603   HG13  VAL  15          3HG1      VAL  15  -1.699   4.066  -0.232
  604   HG21  VAL  15          3HG2      VAL  15   1.816   5.247   1.845
  605   HG22  VAL  15          1HG2      VAL  15   2.003   4.575   0.224
  606   HG23  VAL  15          2HG2      VAL  15   1.458   3.545   1.549
  607    H    TYR  16           H        TYR  16  -1.581   5.760  -1.859
  608    HA   TYR  16           HA       TYR  16  -3.991   7.005  -0.688
  609    HB2  TYR  16           2HB      TYR  16  -2.972   6.889  -3.472
  610    HB3  TYR  16           1HB      TYR  16  -4.704   6.653  -3.263
  611    HD1  TYR  16           2HD      TYR  16  -5.383   8.447  -1.131
  612    HD2  TYR  16           1HD      TYR  16  -2.681   9.032  -4.353
  613    HE1  TYR  16           2HE      TYR  16  -5.751  10.854  -0.975
  614    HE2  TYR  16           1HE      TYR  16  -3.051  11.463  -4.227
  615    HH   TYR  16           HH       TYR  16  -4.965  12.994  -3.371
  616    H    ILE  17           H        ILE  17  -5.558   5.602  -0.071
  617    HA   ILE  17           HA       ILE  17  -5.837   3.161  -1.659
  618    HB   ILE  17           HB       ILE  17  -6.166   1.725   0.225
  619   HG12  ILE  17          2HG1      ILE  17  -5.548   4.105   1.991
  620   HG13  ILE  17          1HG1      ILE  17  -7.116   3.311   1.837
  621   HG21  ILE  17          1HG2      ILE  17  -3.893   1.696   1.151
  622   HG22  ILE  17          2HG2      ILE  17  -3.612   3.301   0.478
  623   HG23  ILE  17          3HG2      ILE  17  -3.911   1.933  -0.595
  624   HD11  ILE  17          3HD1      ILE  17  -5.970   1.190   2.597
  625   HD12  ILE  17          1HD1      ILE  17  -6.148   2.465   3.812
  626   HD13  ILE  17          2HD1      ILE  17  -4.592   2.207   3.022
  627    HA   PRO  18           HA       PRO  18 -10.030   3.930  -2.017
  628    HB2  PRO  18           2HB      PRO  18 -10.797   1.177  -1.372
  629    HB3  PRO  18           1HB      PRO  18 -10.888   2.045  -2.907
  630    HG2  PRO  18           2HG      PRO  18  -9.103   0.075  -2.472
  631    HG3  PRO  18           1HG      PRO  18  -8.751   1.463  -3.517
  632    HD2  PRO  18           2HD      PRO  18  -7.865   0.927  -0.708
  633    HD3  PRO  18           1HD      PRO  18  -6.969   1.649  -2.062
  634    H    GLN  19           H        GLN  19 -12.306   3.438  -1.193
  635    HA   GLN  19           HA       GLN  19 -12.554   4.608   1.329
  636    HB2  GLN  19           2HB      GLN  19 -14.995   4.098   1.068
  637    HB3  GLN  19           1HB      GLN  19 -14.268   4.948  -0.288
  638    HG2  GLN  19           2HG      GLN  19 -14.175   2.896  -1.569
  639    HG3  GLN  19           1HG      GLN  19 -14.788   1.983  -0.195
  640   HE21  GLN  19          1HE2      GLN  19 -16.951   2.133   0.359
  641   HE22  GLN  19          2HE2      GLN  19 -18.135   2.799  -0.728
  642    H    GLU  20           H        GLU  20 -13.494   1.288   0.393
  643    HA   GLU  20           HA       GLU  20 -14.321   0.486   2.931
  644    HB2  GLU  20           2HB      GLU  20 -13.297  -1.210   0.652
  645    HB3  GLU  20           1HB      GLU  20 -14.165  -1.818   2.054
  646    HG2  GLU  20           2HG      GLU  20 -15.197  -0.001  -0.099
  647    HG3  GLU  20           1HG      GLU  20 -15.708  -1.648   0.267
  648    H    TRP  21           H        TRP  21 -11.172   0.884   1.711
  649    HA   TRP  21           HA       TRP  21  -9.882  -0.984   3.470
  650    HB2  TRP  21           2HB      TRP  21  -8.970   1.216   1.639
  651    HB3  TRP  21           1HB      TRP  21  -7.852   0.487   2.786
  652    HD1  TRP  21           HD       TRP  21 -10.420  -1.575   0.752
  653    HE1  TRP  21           1HE      TRP  21  -9.077  -3.147  -0.799
  654    HE3  TRP  21           3HE      TRP  21  -5.759   0.175   1.734
  655    HZ2  TRP  21           2HZ      TRP  21  -6.350  -3.553  -1.505
  656    HZ3  TRP  21           3HZ      TRP  21  -3.846  -0.820   0.591
  657    HH2  TRP  21           HH       TRP  21  -4.121  -2.632  -0.976
  658    H    HIS  22           H        HIS  22  -9.999   2.551   3.179
  659    HA   HIS  22           HA       HIS  22  -8.698   3.162   5.559
  660    HB2  HIS  22           2HB      HIS  22  -9.290   4.740   3.674
  661    HB3  HIS  22           1HB      HIS  22 -10.927   4.788   4.329
  662    HD1  HIS  22           1HD      HIS  22 -11.335   6.279   6.355
  663    HD2  HIS  22           2HD      HIS  22  -7.326   5.976   5.300
  664    HE1  HIS  22           1HE      HIS  22 -10.138   8.031   7.706
  665    HE2  HIS  22           2HE      HIS  22  -7.771   7.993   6.856
  666    H    ASP  23           H        ASP  23 -12.124   2.614   4.899
  667    HA   ASP  23           HA       ASP  23 -13.119   3.370   7.412
  668    HB2  ASP  23           2HB      ASP  23 -14.498   3.058   5.378
  669    HB3  ASP  23           1HB      ASP  23 -14.263   1.317   5.510
  670    H    ARG  24           H        ARG  24 -12.363   0.093   6.177
  671    HA   ARG  24           HA       ARG  24 -13.062  -1.140   8.661
  672    HB2  ARG  24           2HB      ARG  24 -11.457  -2.255   6.351
  673    HB3  ARG  24           1HB      ARG  24 -12.119  -3.192   7.679
  674    HG2  ARG  24           2HG      ARG  24 -13.685  -1.695   5.593
  675    HG3  ARG  24           1HG      ARG  24 -13.481  -3.442   5.705
  676    HD2  ARG  24           2HD      ARG  24 -14.561  -3.274   7.994
  677    HD3  ARG  24           1HD      ARG  24 -14.997  -1.621   7.559
  678    HE   ARG  24           HE       ARG  24 -16.171  -4.061   6.567
  679   HH11  ARG  24          1HH1      ARG  24 -15.742  -0.622   5.956
  680   HH12  ARG  24          2HH1      ARG  24 -17.061  -0.548   4.832
  681   HH21  ARG  24          1HH2      ARG  24 -17.906  -3.928   5.127
  682   HH22  ARG  24          2HH2      ARG  24 -18.299  -2.410   4.379
  683    H    LEU  25           H        LEU  25 -10.073  -0.076   7.156
  684    HA   LEU  25           HA       LEU  25  -8.325  -1.219   9.056
  685    HB2  LEU  25           2HB      LEU  25  -8.027   1.059   7.119
  686    HB3  LEU  25           1HB      LEU  25  -6.730   0.591   8.207
  687    HG   LEU  25           HG       LEU  25  -7.977  -1.111   6.044
  688   HD11  LEU  25          1HD1      LEU  25  -6.457   0.612   5.226
  689   HD12  LEU  25          2HD1      LEU  25  -5.772  -1.000   5.020
  690   HD13  LEU  25          3HD1      LEU  25  -5.206   0.038   6.329
  691   HD21  LEU  25          3HD2      LEU  25  -5.775  -1.803   7.991
  692   HD22  LEU  25          1HD2      LEU  25  -6.318  -2.799   6.640
  693   HD23  LEU  25          2HD2      LEU  25  -7.405  -2.477   7.991
  694    H    MET  26           H        MET  26 -10.109   1.827   8.978
  695    HA   MET  26           HA       MET  26  -8.812   3.051  11.157
  696    HB2  MET  26           2HB      MET  26 -11.543   3.360   9.962
  697    HB3  MET  26           1HB      MET  26 -11.142   4.183  11.462
  698    HG2  MET  26           2HG      MET  26  -9.617   4.464   8.886
  699    HG3  MET  26           1HG      MET  26 -10.850   5.584   9.455
  700    HE1  MET  26           3HE      MET  26  -9.176   6.989  12.726
  701    HE2  MET  26           1HE      MET  26 -10.248   5.594  12.603
  702    HE3  MET  26           2HE      MET  26 -10.592   7.055  11.676
  703    H    GLU  27           H        GLU  27 -11.566   0.817  11.024
  704    HA   GLU  27           HA       GLU  27 -12.122   0.847  13.783
  705    HB2  GLU  27           2HB      GLU  27 -12.448  -1.435  11.827
  706    HB3  GLU  27           1HB      GLU  27 -13.165  -1.366  13.429
  707    HG2  GLU  27           2HG      GLU  27 -14.359   0.721  12.677
  708    HG3  GLU  27           1HG      GLU  27 -13.804   0.345  11.046
  709    H    ILE  28           H        ILE  28 -10.048  -1.280  11.860
  710    HA   ILE  28           HA       ILE  28  -9.141  -2.898  13.986
  711    HB   ILE  28           HB       ILE  28  -7.775  -2.248  11.363
  712   HG12  ILE  28          2HG1      ILE  28  -9.538  -4.592  12.111
  713   HG13  ILE  28          1HG1      ILE  28 -10.058  -3.212  11.150
  714   HG21  ILE  28          1HG2      ILE  28  -6.591  -4.385  11.700
  715   HG22  ILE  28          2HG2      ILE  28  -7.307  -4.505  13.308
  716   HG23  ILE  28          3HG2      ILE  28  -6.193  -3.189  12.933
  717   HD11  ILE  28          3HD1      ILE  28  -7.917  -5.188  10.401
  718   HD12  ILE  28          1HD1      ILE  28  -8.413  -3.797   9.437
  719   HD13  ILE  28          2HD1      ILE  28  -9.549  -5.113   9.741
  720    H    ALA  29           H        ALA  29  -8.144   0.182  12.736
  721    HA   ALA  29           HA       ALA  29  -5.567   0.361  13.819
  722    HB1  ALA  29           1HB      ALA  29  -7.527   2.583  13.244
  723    HB2  ALA  29           2HB      ALA  29  -6.388   1.879  12.095
  724    HB3  ALA  29           3HB      ALA  29  -5.791   2.773  13.494
  725    H    LYS  30           H        LYS  30  -8.730   1.233  15.178
  726    HA   LYS  30           HA       LYS  30  -7.511   2.364  17.532
  727    HB2  LYS  30           2HB      LYS  30 -10.405   1.603  17.147
  728    HB3  LYS  30           1HB      LYS  30  -9.752   2.720  18.339
  729    HG2  LYS  30           2HG      LYS  30  -8.905   4.024  16.244
  730    HG3  LYS  30           1HG      LYS  30 -10.166   3.111  15.414
  731    HD2  LYS  30           2HD      LYS  30 -10.561   4.875  17.830
  732    HD3  LYS  30           1HD      LYS  30 -10.980   5.295  16.170
  733    HE2  LYS  30           2HE      LYS  30 -12.631   3.542  16.095
  734    HE3  LYS  30           1HE      LYS  30 -12.139   2.960  17.686
  735    HZ1  LYS  30           3HZ      LYS  30 -14.151   4.299  17.812
  736    HZ2  LYS  30           1HZ      LYS  30 -13.340   5.621  17.115
  737    HZ3  LYS  30           2HZ      LYS  30 -12.875   5.052  18.642
  738    H    GLU  31           H        GLU  31  -8.850  -0.694  16.575
  739    HA   GLU  31           HA       GLU  31  -9.177  -1.839  19.112
  740    HB2  GLU  31           2HB      GLU  31  -8.463  -3.212  16.515
  741    HB3  GLU  31           1HB      GLU  31  -9.073  -4.010  17.956
  742    HG2  GLU  31           2HG      GLU  31 -11.171  -2.816  17.757
  743    HG3  GLU  31           1HG      GLU  31 -10.560  -1.954  16.344
  744    H    LYS  32           H        LYS  32  -6.433  -1.864  16.868
  745    HA   LYS  32           HA       LYS  32  -4.837  -3.338  18.817
  746    HB2  LYS  32           2HB      LYS  32  -4.459  -2.771  15.886
  747    HB3  LYS  32           1HB      LYS  32  -3.157  -3.413  16.876
  748    HG2  LYS  32           2HG      LYS  32  -4.098  -5.298  15.903
  749    HG3  LYS  32           1HG      LYS  32  -4.808  -5.265  17.514
  750    HD2  LYS  32           2HD      LYS  32  -6.808  -4.129  16.523
  751    HD3  LYS  32           1HD      LYS  32  -6.101  -4.406  14.928
  752    HE2  LYS  32           2HE      LYS  32  -6.051  -6.846  15.457
  753    HE3  LYS  32           1HE      LYS  32  -6.919  -6.492  16.949
  754    HZ1  LYS  32           3HZ      LYS  32  -8.565  -7.110  15.441
  755    HZ2  LYS  32           1HZ      LYS  32  -7.879  -6.240  14.161
  756    HZ3  LYS  32           2HZ      LYS  32  -8.652  -5.420  15.429
  757    H    ASN  33           H        ASN  33  -5.441  -0.186  18.147
  758    HA   ASN  33           HA       ASN  33  -4.508   1.770  18.811
  759    HB2  ASN  33           2HB      ASN  33  -2.700  -0.108  20.325
  760    HB3  ASN  33           1HB      ASN  33  -2.507   1.641  20.401
  761   HD21  ASN  33          1HD2      ASN  33  -3.226  -0.311  22.475
  762   HD22  ASN  33          2HD2      ASN  33  -4.724   0.264  23.134
  763    H    LEU  34           H        LEU  34  -3.947   1.013  16.326
  764    HA   LEU  34           HA       LEU  34  -1.211   2.009  15.895
  765    HB2  LEU  34           2HB      LEU  34  -2.594  -0.199  14.352
  766    HB3  LEU  34           1HB      LEU  34  -1.062   0.528  13.906
  767    HG   LEU  34           HG       LEU  34  -1.537  -1.007  16.463
  768   HD11  LEU  34          1HD1      LEU  34  -1.758  -2.445  14.491
  769   HD12  LEU  34          2HD1      LEU  34  -0.293  -2.813  15.400
  770   HD13  LEU  34          3HD1      LEU  34  -0.191  -1.882  13.906
  771   HD21  LEU  34          3HD2      LEU  34   0.898  -0.985  16.634
  772   HD22  LEU  34          1HD2      LEU  34   0.251   0.655  16.601
  773   HD23  LEU  34          2HD2      LEU  34   1.001  -0.025  15.156
  774    H    THR  35           H        THR  35  -1.003   2.985  13.643
  775    HA   THR  35           HA       THR  35  -3.587   4.126  12.814
  776    HB   THR  35           HB       THR  35  -2.325   5.848  11.631
  777    HG1  THR  35           1HG      THR  35   0.043   4.659  12.710
  778   HG21  THR  35          3HG2      THR  35  -1.318   5.485  14.456
  779   HG22  THR  35          1HG2      THR  35  -2.845   6.235  13.995
  780   HG23  THR  35          2HG2      THR  35  -1.318   6.997  13.547
  781    H    LEU  36           H        LEU  36  -3.978   4.326  10.488
  782    HA   LEU  36           HA       LEU  36  -3.638   1.913   9.114
  783    HB2  LEU  36           2HB      LEU  36  -4.639   2.953   7.251
  784    HB3  LEU  36           1HB      LEU  36  -5.369   3.678   8.668
  785    HG   LEU  36           HG       LEU  36  -3.154   4.998   7.098
  786   HD11  LEU  36          1HD1      LEU  36  -6.137   5.347   6.855
  787   HD12  LEU  36          2HD1      LEU  36  -5.063   4.650   5.641
  788   HD13  LEU  36          3HD1      LEU  36  -4.918   6.355   6.072
  789   HD21  LEU  36          3HD2      LEU  36  -3.434   5.823   9.383
  790   HD22  LEU  36          1HD2      LEU  36  -5.154   6.086   9.081
  791   HD23  LEU  36          2HD2      LEU  36  -3.949   7.030   8.203
  792    H    SER  37           H        SER  37  -1.772   4.869   9.085
  793    HA   SER  37           HA       SER  37   0.048   4.333   7.060
  794    HB2  SER  37           2HB      SER  37   0.622   5.681   9.714
  795    HB3  SER  37           1HB      SER  37   1.518   5.897   8.209
  796    HG   SER  37           HG       SER  37   0.184   7.530   8.030
  797    H    ASP  38           H        ASP  38   0.101   3.389  10.479
  798    HA   ASP  38           HA       ASP  38   2.574   2.015  10.390
  799    HB2  ASP  38           2HB      ASP  38   0.219   1.649  12.255
  800    HB3  ASP  38           1HB      ASP  38   1.798   0.910  12.486
  801    H    VAL  39           H        VAL  39  -0.789   0.915  10.113
  802    HA   VAL  39           HA       VAL  39  -0.245  -1.833  10.027
  803    HB   VAL  39           HB       VAL  39  -2.539  -0.369   8.706
  804   HG11  VAL  39          1HG1      VAL  39  -3.743  -2.495   8.918
  805   HG12  VAL  39          2HG1      VAL  39  -2.272  -3.258   9.525
  806   HG13  VAL  39          3HG1      VAL  39  -2.329  -2.638   7.874
  807   HG21  VAL  39          3HG2      VAL  39  -2.364   0.143  11.087
  808   HG22  VAL  39          1HG2      VAL  39  -2.349  -1.581  11.461
  809   HG23  VAL  39          2HG2      VAL  39  -3.783  -0.844  10.747
  810    H    CYS  40           H        CYS  40  -0.309   0.591   7.461
  811    HA   CYS  40           HA       CYS  40  -0.173  -1.236   5.311
  812    HB2  CYS  40           2HB      CYS  40  -0.704   1.362   5.390
  813    HB3  CYS  40           1HB      CYS  40   1.008   1.498   5.033
  814    HG   CYS  40           HG       CYS  40   0.008  -0.658   2.929
  815    H    ARG  41           H        ARG  41   2.466   0.844   6.618
  816    HA   ARG  41           HA       ARG  41   4.547  -0.445   5.325
  817    HB2  ARG  41           2HB      ARG  41   6.036   0.566   6.987
  818    HB3  ARG  41           1HB      ARG  41   4.842   1.711   6.398
  819    HG2  ARG  41           2HG      ARG  41   3.631   1.648   8.410
  820    HG3  ARG  41           1HG      ARG  41   4.471   0.195   8.961
  821    HD2  ARG  41           2HD      ARG  41   6.521   1.425   9.216
  822    HD3  ARG  41           1HD      ARG  41   5.792   2.873   8.522
  823    HE   ARG  41           HE       ARG  41   4.213   2.605  10.568
  824   HH11  ARG  41          1HH1      ARG  41   7.659   1.948  10.524
  825   HH12  ARG  41          2HH1      ARG  41   7.884   2.355  12.198
  826   HH21  ARG  41          1HH2      ARG  41   4.498   3.149  12.748
  827   HH22  ARG  41          2HH2      ARG  41   6.086   3.045  13.469
  828    H    LEU  42           H        LEU  42   3.044  -1.275   8.438
  829    HA   LEU  42           HA       LEU  42   5.012  -3.208   9.143
  830    HB2  LEU  42           2HB      LEU  42   2.138  -2.949  10.044
  831    HB3  LEU  42           1HB      LEU  42   3.310  -4.045  10.751
  832    HG   LEU  42           HG       LEU  42   3.477  -1.031  10.770
  833   HD11  LEU  42          1HD1      LEU  42   1.744  -1.880  12.248
  834   HD12  LEU  42          2HD1      LEU  42   3.109  -1.274  13.183
  835   HD13  LEU  42          3HD1      LEU  42   2.888  -3.010  12.970
  836   HD21  LEU  42          3HD2      LEU  42   5.391  -1.361  12.266
  837   HD22  LEU  42          1HD2      LEU  42   5.684  -2.048  10.667
  838   HD23  LEU  42          2HD2      LEU  42   5.276  -3.103  12.019
  839    H    ALA  43           H        ALA  43   2.216  -3.226   7.118
  840    HA   ALA  43           HA       ALA  43   2.071  -6.061   6.831
  841    HB1  ALA  43           1HB      ALA  43   1.049  -3.901   5.001
  842    HB2  ALA  43           2HB      ALA  43   0.164  -4.615   6.349
  843    HB3  ALA  43           3HB      ALA  43   0.603  -5.607   4.958
  844    H    ILE  44           H        ILE  44   3.983  -3.518   5.383
  845    HA   ILE  44           HA       ILE  44   4.981  -5.043   3.198
  846    HB   ILE  44           HB       ILE  44   6.417  -2.843   4.705
  847   HG12  ILE  44          2HG1      ILE  44   4.644  -2.682   2.258
  848   HG13  ILE  44          1HG1      ILE  44   4.259  -2.055   3.857
  849   HG21  ILE  44          1HG2      ILE  44   7.708  -2.578   2.640
  850   HG22  ILE  44          2HG2      ILE  44   6.849  -3.946   1.929
  851   HG23  ILE  44          3HG2      ILE  44   7.898  -4.193   3.327
  852   HD11  ILE  44          3HD1      ILE  44   6.506  -1.092   2.095
  853   HD12  ILE  44          1HD1      ILE  44   6.094  -0.464   3.692
  854   HD13  ILE  44          2HD1      ILE  44   4.963  -0.276   2.352
  855    H    LYS  45           H        LYS  45   5.934  -4.590   6.547
  856    HA   LYS  45           HA       LYS  45   8.212  -6.185   6.604
  857    HB2  LYS  45           2HB      LYS  45   7.590  -4.803   8.494
  858    HB3  LYS  45           1HB      LYS  45   6.101  -5.708   8.714
  859    HG2  LYS  45           2HG      LYS  45   7.733  -6.316  10.394
  860    HG3  LYS  45           1HG      LYS  45   7.396  -7.686   9.337
  861    HD2  LYS  45           2HD      LYS  45   9.448  -7.320   8.131
  862    HD3  LYS  45           1HD      LYS  45   9.761  -5.841   9.044
  863    HE2  LYS  45           2HE      LYS  45   9.958  -7.130  11.096
  864    HE3  LYS  45           1HE      LYS  45   9.585  -8.615  10.219
  865    HZ1  LYS  45           3HZ      LYS  45  11.607  -8.495   9.053
  866    HZ2  LYS  45           1HZ      LYS  45  12.007  -8.159  10.667
  867    HZ3  LYS  45           2HZ      LYS  45  11.903  -6.898   9.537
  868    H    GLU  46           H        GLU  46   4.803  -7.014   6.887
  869    HA   GLU  46           HA       GLU  46   5.148  -9.796   7.347
  870    HB2  GLU  46           2HB      GLU  46   3.078  -8.496   7.865
  871    HB3  GLU  46           1HB      GLU  46   2.792  -8.314   6.143
  872    HG2  GLU  46           2HG      GLU  46   1.402 -10.053   6.662
  873    HG3  GLU  46           1HG      GLU  46   2.848 -10.911   6.130
  874    H    TYR  47           H        TYR  47   4.785  -7.757   4.543
  875    HA   TYR  47           HA       TYR  47   4.404  -9.707   2.579
  876    HB2  TYR  47           2HB      TYR  47   4.009  -7.266   2.300
  877    HB3  TYR  47           1HB      TYR  47   5.747  -7.008   2.319
  878    HD1  TYR  47           2HD      TYR  47   7.127  -7.759   0.398
  879    HD2  TYR  47           1HD      TYR  47   2.886  -8.071   0.354
  880    HE1  TYR  47           2HE      TYR  47   7.178  -8.044  -2.044
  881    HE2  TYR  47           1HE      TYR  47   2.919  -8.350  -2.088
  882    HH   TYR  47           HH       TYR  47   4.413  -7.789  -3.985
  883    H    LEU  48           H        LEU  48   7.350  -8.098   3.740
  884    HA   LEU  48           HA       LEU  48   9.143  -9.523   2.078
  885    HB2  LEU  48           2HB      LEU  48   9.691  -8.283   4.775
  886    HB3  LEU  48           1HB      LEU  48  10.887  -8.702   3.565
  887    HG   LEU  48           HG       LEU  48   8.776  -6.558   3.295
  888   HD11  LEU  48          1HD1      LEU  48  10.549  -5.958   4.854
  889   HD12  LEU  48          2HD1      LEU  48  10.666  -5.014   3.370
  890   HD13  LEU  48          3HD1      LEU  48  11.765  -6.365   3.645
  891   HD21  LEU  48          3HD2      LEU  48   9.927  -5.973   1.218
  892   HD22  LEU  48          1HD2      LEU  48   9.271  -7.609   1.150
  893   HD23  LEU  48          2HD2      LEU  48  10.996  -7.359   1.417
  894    H    ASP  49           H        ASP  49   8.021 -10.013   5.379
  895    HA   ASP  49           HA       ASP  49   9.771 -12.060   6.127
  896    HB2  ASP  49           2HB      ASP  49   8.280 -10.694   7.629
  897    HB3  ASP  49           1HB      ASP  49   6.934 -11.697   7.103
  898    H    ASN  50           H        ASN  50   6.470 -12.292   4.806
  899    HA   ASN  50           HA       ASN  50   6.555 -15.172   4.897
  900    HB2  ASN  50           2HB      ASN  50   4.484 -13.241   3.864
  901    HB3  ASN  50           1HB      ASN  50   4.291 -14.992   3.797
  902   HD21  ASN  50          1HD2      ASN  50   4.492 -12.209   5.835
  903   HD22  ASN  50          2HD2      ASN  50   3.888 -12.953   7.275
  904    H    HIS  51           H        HIS  51   7.554 -12.868   2.595
  905    HA   HIS  51           HA       HIS  51   7.114 -14.679   0.356
  906    HB2  HIS  51           2HB      HIS  51   8.106 -11.858   0.568
  907    HB3  HIS  51           1HB      HIS  51   8.460 -12.797  -0.879
  908    HD1  HIS  51           1HD      HIS  51   6.864 -12.056  -2.641
  909    HD2  HIS  51           2HD      HIS  51   5.022 -12.421   1.074
  910    HE1  HIS  51           1HE      HIS  51   4.435 -11.566  -3.032
  911    HE2  HIS  51           2HE      HIS  51   3.318 -11.904  -0.801
  912    H    ASP  52           H        ASP  52   9.785 -13.385   2.269
  913    HA   ASP  52           HA       ASP  52  11.647 -15.178   0.911
  914    HB2  ASP  52           2HB      ASP  52  12.251 -12.795   1.635
  915    HB3  ASP  52           1HB      ASP  52  12.250 -13.407   3.287
  916    H    LYS  53           H        LYS  53  10.614 -17.093   1.526
  917    HA   LYS  53           HA       LYS  53   9.939 -17.630   4.259
  918    HB2  LYS  53           2HB      LYS  53  10.020 -19.573   1.947
  919    HB3  LYS  53           1HB      LYS  53   9.153 -19.768   3.463
  920    HG2  LYS  53           2HG      LYS  53   7.683 -17.913   2.871
  921    HG3  LYS  53           1HG      LYS  53   8.569 -17.688   1.361
  922    HD2  LYS  53           2HD      LYS  53   7.980 -20.030   0.746
  923    HD3  LYS  53           1HD      LYS  53   6.963 -20.101   2.185
  924    HE2  LYS  53           2HE      LYS  53   6.649 -18.151  -0.093
  925    HE3  LYS  53           1HE      LYS  53   5.673 -19.597   0.154
  926    HZ1  LYS  53           3HZ      LYS  53   4.528 -17.647   0.950
  927    HZ2  LYS  53           1HZ      LYS  53   5.819 -17.253   1.974
  928    HZ3  LYS  53           2HZ      LYS  53   4.907 -18.655   2.261
  929    H    GLN  54           H        GLN  54  12.691 -18.143   2.278
  930    HA   GLN  54           HA       GLN  54  14.704 -19.154   2.586
  931    HB2  GLN  54           2HB      GLN  54  13.852 -19.223   5.487
  932    HB3  GLN  54           1HB      GLN  54  15.469 -19.576   4.904
  933    HG2  GLN  54           2HG      GLN  54  15.649 -17.278   4.063
  934    HG3  GLN  54           1HG      GLN  54  14.042 -16.934   4.703
  935   HE21  GLN  54          1HE2      GLN  54  16.624 -15.733   5.380
  936   HE22  GLN  54          2HE2      GLN  54  16.837 -15.981   7.082
  937    H    LYS  55           H        LYS  55  15.668 -21.221   3.920
  938    HA   LYS  55           HA       LYS  55  13.638 -23.358   3.910
  939    HB2  LYS  55           2HB      LYS  55  16.523 -23.560   3.011
  940    HB3  LYS  55           1HB      LYS  55  15.459 -24.936   3.250
  941    HG2  LYS  55           2HG      LYS  55  13.945 -23.970   1.519
  942    HG3  LYS  55           1HG      LYS  55  15.190 -22.759   1.197
  943    HD2  LYS  55           2HD      LYS  55  15.390 -24.585  -0.384
  944    HD3  LYS  55           1HD      LYS  55  16.785 -24.572   0.696
  945    HE2  LYS  55           2HE      LYS  55  16.026 -26.841   0.402
  946    HE3  LYS  55           1HE      LYS  55  15.705 -26.327   2.058
  947    HZ1  LYS  55           3HZ      LYS  55  13.386 -25.790   1.262
  948    HZ2  LYS  55           1HZ      LYS  55  13.779 -27.440   1.314
  949    HZ3  LYS  55           2HZ      LYS  55  13.764 -26.622  -0.168
  950    H    LYS  56           H        LYS  56  14.447 -21.637   5.987
  951    HA   LYS  56           HA       LYS  56  15.368 -21.439   8.032
  952    HB2  LYS  56           2HB      LYS  56  14.864 -23.265   9.594
  953    HB3  LYS  56           1HB      LYS  56  13.496 -22.849   8.580
  954    HG2  LYS  56           2HG      LYS  56  13.589 -24.843   7.414
  955    HG3  LYS  56           1HG      LYS  56  15.277 -25.131   7.843
  956    HD2  LYS  56           2HD      LYS  56  12.894 -25.290   9.686
  957    HD3  LYS  56           1HD      LYS  56  13.851 -26.643   9.080
  958    HE2  LYS  56           2HE      LYS  56  14.755 -24.453  10.944
  959    HE3  LYS  56           1HE      LYS  56  14.553 -26.163  11.326
  960    HZ1  LYS  56           3HZ      LYS  56  16.523 -25.057   9.392
  961    HZ2  LYS  56           1HZ      LYS  56  16.349 -26.690   9.821
  962    HZ3  LYS  56           2HZ      LYS  56  16.879 -25.562  10.972
  Start of MODEL   11
    1    H1   GLY   2           1HT      GLY   2 -20.961  13.610  -8.343
    2    H2   GLY   2           2HT      GLY   2 -21.546  14.554  -7.063
    3    H3   GLY   2           3HT      GLY   2 -21.483  12.865  -6.912
    4    HA2  GLY   2           1HA      GLY   2 -19.062  12.932  -7.057
    5    HA3  GLY   2           2HA      GLY   2 -19.155  14.688  -7.136
    6    H    ARG   3           H        ARG   3 -17.764  13.199  -5.163
    7    HA   ARG   3           HA       ARG   3 -17.380  13.220  -2.923
    8    HB2  ARG   3           2HB      ARG   3 -19.646  15.225  -2.828
    9    HB3  ARG   3           1HB      ARG   3 -18.496  14.913  -1.535
   10    HG2  ARG   3           2HG      ARG   3 -16.694  15.785  -2.816
   11    HG3  ARG   3           1HG      ARG   3 -17.695  15.875  -4.266
   12    HD2  ARG   3           2HD      ARG   3 -18.103  17.476  -1.737
   13    HD3  ARG   3           1HD      ARG   3 -17.380  18.072  -3.230
   14    HE   ARG   3           HE       ARG   3 -20.085  16.985  -3.390
   15   HH11  ARG   3          1HH1      ARG   3 -18.051  19.854  -3.300
   16   HH12  ARG   3          2HH1      ARG   3 -19.288  20.896  -3.930
   17   HH21  ARG   3          1HH2      ARG   3 -21.698  18.353  -4.222
   18   HH22  ARG   3          2HH2      ARG   3 -21.366  20.048  -4.442
   19    HA   PRO   4           HA       PRO   4 -20.866  10.210  -2.461
   20    HB2  PRO   4           2HB      PRO   4 -19.307   8.096  -1.784
   21    HB3  PRO   4           1HB      PRO   4 -19.622   8.567  -3.459
   22    HG2  PRO   4           2HG      PRO   4 -17.235   9.153  -1.743
   23    HG3  PRO   4           1HG      PRO   4 -17.295   8.637  -3.440
   24    HD2  PRO   4           2HD      PRO   4 -16.900  11.211  -2.716
   25    HD3  PRO   4           1HD      PRO   4 -17.766  10.758  -4.198
   26    H    TYR   5           H        TYR   5 -18.196  11.006  -0.337
   27    HA   TYR   5           HA       TYR   5 -19.956  10.640   1.980
   28    HB2  TYR   5           2HB      TYR   5 -17.077   9.736   2.107
   29    HB3  TYR   5           1HB      TYR   5 -18.359   9.447   3.271
   30    HD1  TYR   5           1HD      TYR   5 -20.160   7.775   2.710
   31    HD2  TYR   5           2HD      TYR   5 -16.659   8.246   0.341
   32    HE1  TYR   5           1HE      TYR   5 -20.541   5.559   1.710
   33    HE2  TYR   5           2HE      TYR   5 -17.037   6.042  -0.669
   34    HH   TYR   5           HH       TYR   5 -18.155   3.977  -0.184
   35    H    LYS   6           H        LYS   6 -16.546  11.338   1.406
   36    HA   LYS   6           HA       LYS   6 -16.893  14.127   2.088
   37    HB2  LYS   6           2HB      LYS   6 -14.951  13.981   3.731
   38    HB3  LYS   6           1HB      LYS   6 -16.489  13.344   4.285
   39    HG2  LYS   6           2HG      LYS   6 -15.654  11.054   3.668
   40    HG3  LYS   6           1HG      LYS   6 -14.073  11.790   3.390
   41    HD2  LYS   6           2HD      LYS   6 -14.043  12.594   5.709
   42    HD3  LYS   6           1HD      LYS   6 -15.622  11.857   5.984
   43    HE2  LYS   6           2HE      LYS   6 -14.609   9.650   5.411
   44    HE3  LYS   6           1HE      LYS   6 -13.037  10.445   5.345
   45    HZ1  LYS   6           3HZ      LYS   6 -14.807  10.360   7.733
   46    HZ2  LYS   6           1HZ      LYS   6 -13.256  11.047   7.665
   47    HZ3  LYS   6           2HZ      LYS   6 -13.454   9.372   7.496
   48    H    LEU   7           H        LEU   7 -14.385  11.648   1.570
   49    HA   LEU   7           HA       LEU   7 -13.225  13.344  -0.519
   50    HB2  LEU   7           2HB      LEU   7 -12.183  10.929   0.953
   51    HB3  LEU   7           1HB      LEU   7 -11.430  11.505  -0.519
   52    HG   LEU   7           HG       LEU   7 -10.155  12.337   1.305
   53   HD11  LEU   7          1HD1      LEU   7 -10.481  13.911  -0.520
   54   HD12  LEU   7          2HD1      LEU   7 -10.320  14.748   1.024
   55   HD13  LEU   7          3HD1      LEU   7 -11.909  14.563   0.285
   56   HD21  LEU   7          3HD2      LEU   7 -11.758  12.076   3.097
   57   HD22  LEU   7          1HD2      LEU   7 -12.732  13.398   2.451
   58   HD23  LEU   7          2HD2      LEU   7 -11.120  13.721   3.090
   59    H    LEU   8           H        LEU   8 -12.307  11.807  -2.383
   60    HA   LEU   8           HA       LEU   8 -14.737  10.664  -3.507
   61    HB2  LEU   8           2HB      LEU   8 -12.118  11.524  -4.712
   62    HB3  LEU   8           1HB      LEU   8 -13.294  10.603  -5.627
   63    HG   LEU   8           HG       LEU   8 -14.953  12.439  -5.199
   64   HD11  LEU   8          1HD1      LEU   8 -13.922  13.451  -3.244
   65   HD12  LEU   8          2HD1      LEU   8 -14.089  14.633  -4.543
   66   HD13  LEU   8          3HD1      LEU   8 -12.515  13.911  -4.204
   67   HD21  LEU   8          3HD2      LEU   8 -12.427  13.154  -6.676
   68   HD22  LEU   8          1HD2      LEU   8 -13.998  13.924  -6.891
   69   HD23  LEU   8          2HD2      LEU   8 -13.785  12.224  -7.312
   70    H    ASN   9           H        ASN   9 -14.418   8.843  -1.937
   71    HA   ASN   9           HA       ASN   9 -14.052   6.636  -1.551
   72    HB2  ASN   9           2HB      ASN   9 -13.584   6.581  -4.538
   73    HB3  ASN   9           1HB      ASN   9 -13.853   5.164  -3.528
   74   HD21  ASN   9          1HD2      ASN   9 -15.918   4.818  -2.639
   75   HD22  ASN   9          2HD2      ASN   9 -17.321   5.596  -3.290
   76    H    GLY  10           H        GLY  10 -11.747   8.490  -1.490
   77    HA2  GLY  10           2HA      GLY  10  -9.689   6.514  -1.128
   78    HA3  GLY  10           1HA      GLY  10  -9.385   7.599  -2.482
   79    H    ILE  11           H        ILE  11  -8.016   7.272   0.158
   80    HA   ILE  11           HA       ILE  11  -8.374  10.029   1.157
   81    HB   ILE  11           HB       ILE  11  -7.694   7.729   2.979
   82   HG12  ILE  11          2HG1      ILE  11  -9.936   7.329   1.962
   83   HG13  ILE  11          1HG1      ILE  11  -9.995   7.592   3.701
   84   HG21  ILE  11          1HG2      ILE  11  -8.410   9.284   4.731
   85   HG22  ILE  11          2HG2      ILE  11  -8.767  10.498   3.502
   86   HG23  ILE  11          3HG2      ILE  11  -7.106   9.959   3.753
   87   HD11  ILE  11          3HD1      ILE  11 -11.819   8.734   2.580
   88   HD12  ILE  11          1HD1      ILE  11 -10.669   9.615   1.576
   89   HD13  ILE  11          2HD1      ILE  11 -10.716   9.900   3.315
   90    H    LYS  12           H        LYS  12  -6.478  11.036   1.929
   91    HA   LYS  12           HA       LYS  12  -4.026   9.814   0.877
   92    HB2  LYS  12           2HB      LYS  12  -4.686  12.056   0.030
   93    HB3  LYS  12           1HB      LYS  12  -4.561  12.689   1.663
   94    HG2  LYS  12           2HG      LYS  12  -2.569  13.309   0.598
   95    HG3  LYS  12           1HG      LYS  12  -2.138  11.934   1.614
   96    HD2  LYS  12           2HD      LYS  12  -2.249  10.452  -0.316
   97    HD3  LYS  12           1HD      LYS  12  -2.742  11.801  -1.340
   98    HE2  LYS  12           2HE      LYS  12  -0.587  12.928  -0.734
   99    HE3  LYS  12           1HE      LYS  12  -0.104  11.435   0.067
  100    HZ1  LYS  12           3HZ      LYS  12   0.811  11.517  -2.142
  101    HZ2  LYS  12           1HZ      LYS  12  -0.723  11.760  -2.827
  102    HZ3  LYS  12           2HZ      LYS  12  -0.353  10.284  -2.080
  103    H    LEU  13           H        LEU  13  -2.634   8.989   2.219
  104    HA   LEU  13           HA       LEU  13  -2.518   9.976   4.987
  105    HB2  LEU  13           2HB      LEU  13  -1.807   7.547   5.513
  106    HB3  LEU  13           1HB      LEU  13  -3.508   7.912   5.326
  107    HG   LEU  13           HG       LEU  13  -1.956   6.874   2.981
  108   HD11  LEU  13          1HD1      LEU  13  -1.437   5.360   4.827
  109   HD12  LEU  13          2HD1      LEU  13  -2.512   4.594   3.656
  110   HD13  LEU  13          3HD1      LEU  13  -3.157   5.198   5.182
  111   HD21  LEU  13          3HD2      LEU  13  -4.828   6.586   3.879
  112   HD22  LEU  13          1HD2      LEU  13  -4.144   5.937   2.389
  113   HD23  LEU  13          2HD2      LEU  13  -4.244   7.684   2.625
  114    H    GLY  14           H        GLY  14  -0.397   9.388   6.051
  115    HA2  GLY  14           2HA      GLY  14   1.806   9.286   4.119
  116    HA3  GLY  14           1HA      GLY  14   1.661  10.725   5.115
  117    H    VAL  15           H        VAL  15   3.618   8.390   4.881
  118    HA   VAL  15           HA       VAL  15   3.620   7.599   7.728
  119    HB   VAL  15           HB       VAL  15   4.945   5.996   5.544
  120   HG11  VAL  15          1HG1      VAL  15   3.902   5.231   8.269
  121   HG12  VAL  15          2HG1      VAL  15   5.591   5.502   7.842
  122   HG13  VAL  15          3HG1      VAL  15   4.707   4.152   7.129
  123   HG21  VAL  15          3HG2      VAL  15   2.623   6.169   4.869
  124   HG22  VAL  15          1HG2      VAL  15   2.094   5.686   6.481
  125   HG23  VAL  15          2HG2      VAL  15   2.964   4.543   5.458
  126    H    TYR  16           H        TYR  16   5.817   7.186   8.604
  127    HA   TYR  16           HA       TYR  16   7.974   8.489   7.087
  128    HB2  TYR  16           2HB      TYR  16   7.115   8.946   9.881
  129    HB3  TYR  16           1HB      TYR  16   8.851   8.812   9.614
  130    HD1  TYR  16           1HD      TYR  16   9.646  10.174   7.439
  131    HD2  TYR  16           2HD      TYR  16   6.248  11.084   9.820
  132    HE1  TYR  16           1HE      TYR  16   9.744  12.490   6.657
  133    HE2  TYR  16           2HE      TYR  16   6.333  13.417   9.052
  134    HH   TYR  16           HH       TYR  16   8.344  14.444   6.456
  135    H    ILE  17           H        ILE  17   9.335   6.980   6.473
  136    HA   ILE  17           HA       ILE  17   9.858   4.740   8.317
  137    HB   ILE  17           HB       ILE  17  10.145   3.257   6.394
  138   HG12  ILE  17          2HG1      ILE  17   9.182   5.607   4.741
  139   HG13  ILE  17          1HG1      ILE  17  10.811   4.937   4.717
  140   HG21  ILE  17          1HG2      ILE  17   7.778   3.090   5.756
  141   HG22  ILE  17          2HG2      ILE  17   7.493   4.696   6.428
  142   HG23  ILE  17          3HG2      ILE  17   7.979   3.370   7.486
  143   HD11  ILE  17          3HD1      ILE  17   8.309   3.467   3.908
  144   HD12  ILE  17          1HD1      ILE  17   9.960   2.852   3.822
  145   HD13  ILE  17          2HD1      ILE  17   9.472   4.209   2.804
  146    HA   PRO  18           HA       PRO  18  14.004   5.936   8.253
  147    HB2  PRO  18           2HB      PRO  18  15.287   3.584   8.676
  148    HB3  PRO  18           1HB      PRO  18  14.343   4.407   9.924
  149    HG2  PRO  18           2HG      PRO  18  13.569   2.119   8.158
  150    HG3  PRO  18           1HG      PRO  18  13.273   2.343   9.892
  151    HD2  PRO  18           2HD      PRO  18  11.370   2.813   8.023
  152    HD3  PRO  18           1HD      PRO  18  11.473   3.744   9.535
  153    H    GLN  19           H        GLN  19  16.209   5.361   7.401
  154    HA   GLN  19           HA       GLN  19  16.326   5.701   4.679
  155    HB2  GLN  19           2HB      GLN  19  18.259   6.315   5.754
  156    HB3  GLN  19           1HB      GLN  19  18.263   4.895   6.789
  157    HG2  GLN  19           2HG      GLN  19  20.122   4.766   5.310
  158    HG3  GLN  19           1HG      GLN  19  18.941   3.532   4.858
  159   HE21  GLN  19          1HE2      GLN  19  18.507   6.908   4.100
  160   HE22  GLN  19          2HE2      GLN  19  18.736   6.769   2.392
  161    H    GLU  20           H        GLU  20  17.434   2.712   6.255
  162    HA   GLU  20           HA       GLU  20  17.750   1.091   4.096
  163    HB2  GLU  20           2HB      GLU  20  16.610   0.206   6.744
  164    HB3  GLU  20           1HB      GLU  20  17.484  -0.794   5.592
  165    HG2  GLU  20           2HG      GLU  20  19.512   0.420   5.986
  166    HG3  GLU  20           1HG      GLU  20  18.664   1.584   7.006
  167    H    TRP  21           H        TRP  21  14.714   2.087   5.446
  168    HA   TRP  21           HA       TRP  21  13.200  -0.078   4.301
  169    HB2  TRP  21           2HB      TRP  21  12.809   1.962   6.255
  170    HB3  TRP  21           1HB      TRP  21  11.561   2.140   5.027
  171    HD1  TRP  21           HD       TRP  21  13.001  -0.780   7.171
  172    HE1  TRP  21           1HE      TRP  21  11.012  -2.243   7.907
  173    HE3  TRP  21           3HE      TRP  21   9.261   1.709   4.778
  174    HZ2  TRP  21           2HZ      TRP  21   8.200  -2.312   7.516
  175    HZ3  TRP  21           3HZ      TRP  21   6.959   0.903   5.005
  176    HH2  TRP  21           HH       TRP  21   6.429  -1.058   6.345
  177    H    HIS  22           H        HIS  22  13.423   3.428   3.843
  178    HA   HIS  22           HA       HIS  22  11.799   3.545   1.545
  179    HB2  HIS  22           2HB      HIS  22  12.397   5.484   3.002
  180    HB3  HIS  22           1HB      HIS  22  14.031   5.432   2.345
  181    HD1  HIS  22           1HD      HIS  22  14.444   6.683   0.211
  182    HD2  HIS  22           2HD      HIS  22  10.393   6.218   1.047
  183    HE1  HIS  22           1HE      HIS  22  13.229   8.126  -1.459
  184    HE2  HIS  22           2HE      HIS  22  10.805   8.019  -0.763
  185    H    ASP  23           H        ASP  23  15.279   3.196   1.988
  186    HA   ASP  23           HA       ASP  23  16.044   3.524  -0.692
  187    HB2  ASP  23           2HB      ASP  23  17.646   3.704   1.110
  188    HB3  ASP  23           1HB      ASP  23  17.394   2.017   1.548
  189    H    ARG  24           H        ARG  24  15.504   0.503   1.156
  190    HA   ARG  24           HA       ARG  24  16.144  -1.131  -1.112
  191    HB2  ARG  24           2HB      ARG  24  15.036  -1.684   1.626
  192    HB3  ARG  24           1HB      ARG  24  15.028  -2.942   0.402
  193    HG2  ARG  24           2HG      ARG  24  16.944  -3.184   1.847
  194    HG3  ARG  24           1HG      ARG  24  17.464  -2.774   0.214
  195    HD2  ARG  24           2HD      ARG  24  18.144  -0.654   0.824
  196    HD3  ARG  24           1HD      ARG  24  17.092  -0.604   2.238
  197    HE   ARG  24           HE       ARG  24  18.798  -2.568   2.891
  198   HH11  ARG  24          1HH1      ARG  24  19.413   0.660   1.618
  199   HH12  ARG  24          2HH1      ARG  24  20.906   0.840   2.486
  200   HH21  ARG  24          1HH2      ARG  24  20.784  -2.330   3.987
  201   HH22  ARG  24          2HH2      ARG  24  21.696  -0.856   3.805
  202    H    LEU  25           H        LEU  25  13.171   0.040   0.367
  203    HA   LEU  25           HA       LEU  25  11.398  -1.501  -1.183
  204    HB2  LEU  25           2HB      LEU  25  11.141   1.107   0.276
  205    HB3  LEU  25           1HB      LEU  25   9.821   0.511  -0.724
  206    HG   LEU  25           HG       LEU  25  11.014  -0.862   1.686
  207   HD11  LEU  25          1HD1      LEU  25   8.769  -0.508   2.635
  208   HD12  LEU  25          2HD1      LEU  25   8.334   0.424   1.202
  209   HD13  LEU  25          3HD1      LEU  25   9.605   1.004   2.277
  210   HD21  LEU  25          3HD2      LEU  25  10.360  -2.497  -0.010
  211   HD22  LEU  25          1HD2      LEU  25   8.763  -1.757  -0.113
  212   HD23  LEU  25          2HD2      LEU  25   9.275  -2.545   1.380
  213    H    MET  26           H        MET  26  12.719   1.770  -1.689
  214    HA   MET  26           HA       MET  26  11.391   2.206  -4.136
  215    HB2  MET  26           2HB      MET  26  13.833   3.457  -2.921
  216    HB3  MET  26           1HB      MET  26  13.257   3.921  -4.515
  217    HG2  MET  26           2HG      MET  26  11.670   4.095  -1.962
  218    HG3  MET  26           1HG      MET  26  12.479   5.438  -2.765
  219    HE1  MET  26           3HE      MET  26  11.946   4.732  -5.827
  220    HE2  MET  26           1HE      MET  26  11.761   6.365  -5.188
  221    HE3  MET  26           2HE      MET  26  10.469   5.639  -6.146
  222    H    GLU  27           H        GLU  27  14.396   0.552  -3.406
  223    HA   GLU  27           HA       GLU  27  15.391   0.522  -6.057
  224    HB2  GLU  27           2HB      GLU  27  16.760   0.005  -4.049
  225    HB3  GLU  27           1HB      GLU  27  15.874  -1.502  -3.864
  226    HG2  GLU  27           2HG      GLU  27  18.102  -1.736  -4.944
  227    HG3  GLU  27           1HG      GLU  27  16.759  -2.367  -5.897
  228    H    ILE  28           H        ILE  28  13.575  -1.911  -4.196
  229    HA   ILE  28           HA       ILE  28  13.120  -3.662  -6.368
  230    HB   ILE  28           HB       ILE  28  11.350  -3.212  -3.953
  231   HG12  ILE  28          2HG1      ILE  28  13.582  -5.217  -4.378
  232   HG13  ILE  28          1HG1      ILE  28  13.696  -3.773  -3.376
  233   HG21  ILE  28          1HG2      ILE  28  10.541  -5.483  -4.383
  234   HG22  ILE  28          2HG2      ILE  28  11.546  -5.568  -5.829
  235   HG23  ILE  28          3HG2      ILE  28  10.215  -4.414  -5.747
  236   HD11  ILE  28          3HD1      ILE  28  11.911  -4.667  -1.940
  237   HD12  ILE  28          1HD1      ILE  28  13.327  -5.716  -2.004
  238   HD13  ILE  28          2HD1      ILE  28  11.880  -6.129  -2.925
  239    H    ALA  29           H        ALA  29  11.504  -0.795  -5.212
  240    HA   ALA  29           HA       ALA  29   9.183  -0.887  -6.788
  241    HB1  ALA  29           1HB      ALA  29   9.000   1.508  -6.320
  242    HB2  ALA  29           2HB      ALA  29  10.655   1.511  -5.709
  243    HB3  ALA  29           3HB      ALA  29   9.407   0.590  -4.871
  244    H    LYS  30           H        LYS  30  12.463  -0.097  -7.604
  245    HA   LYS  30           HA       LYS  30  11.807   1.365  -9.991
  246    HB2  LYS  30           2HB      LYS  30  14.393  -0.026  -9.259
  247    HB3  LYS  30           1HB      LYS  30  14.183   1.107 -10.584
  248    HG2  LYS  30           2HG      LYS  30  13.619   2.855  -8.896
  249    HG3  LYS  30           1HG      LYS  30  14.057   1.694  -7.640
  250    HD2  LYS  30           2HD      LYS  30  16.291   1.467  -8.721
  251    HD3  LYS  30           1HD      LYS  30  15.836   2.764  -9.826
  252    HE2  LYS  30           2HE      LYS  30  17.107   3.786  -8.130
  253    HE3  LYS  30           1HE      LYS  30  15.428   4.181  -7.767
  254    HZ1  LYS  30           3HZ      LYS  30  16.709   3.501  -5.797
  255    HZ2  LYS  30           1HZ      LYS  30  16.963   1.973  -6.491
  256    HZ3  LYS  30           2HZ      LYS  30  15.395   2.476  -6.092
  257    H    GLU  31           H        GLU  31  12.982  -1.882  -9.252
  258    HA   GLU  31           HA       GLU  31  13.038  -2.826 -11.894
  259    HB2  GLU  31           2HB      GLU  31  14.139  -3.887  -9.907
  260    HB3  GLU  31           1HB      GLU  31  12.560  -4.485  -9.417
  261    HG2  GLU  31           2HG      GLU  31  13.147  -5.141 -12.172
  262    HG3  GLU  31           1HG      GLU  31  14.384  -5.750 -11.072
  263    H    LYS  32           H        LYS  32  10.433  -2.693  -9.542
  264    HA   LYS  32           HA       LYS  32   8.665  -4.223 -11.283
  265    HB2  LYS  32           2HB      LYS  32   8.655  -3.424  -8.446
  266    HB3  LYS  32           1HB      LYS  32   7.078  -3.396  -9.221
  267    HG2  LYS  32           2HG      LYS  32   7.375  -5.524  -8.183
  268    HG3  LYS  32           1HG      LYS  32   7.437  -5.741  -9.932
  269    HD2  LYS  32           2HD      LYS  32   9.918  -5.744  -9.788
  270    HD3  LYS  32           1HD      LYS  32   9.780  -5.676  -8.028
  271    HE2  LYS  32           2HE      LYS  32   8.580  -7.788  -8.019
  272    HE3  LYS  32           1HE      LYS  32   8.621  -7.842  -9.780
  273    HZ1  LYS  32           3HZ      LYS  32  10.327  -9.246  -8.994
  274    HZ2  LYS  32           1HZ      LYS  32  10.912  -8.080  -7.910
  275    HZ3  LYS  32           2HZ      LYS  32  11.103  -7.856  -9.580
  276    H    ASN  33           H        ASN  33   9.568  -1.036 -10.900
  277    HA   ASN  33           HA       ASN  33   8.745   0.999 -11.465
  278    HB2  ASN  33           2HB      ASN  33   8.488  -0.302 -13.669
  279    HB3  ASN  33           1HB      ASN  33   6.777  -0.404 -13.271
  280   HD21  ASN  33          1HD2      ASN  33   8.104   0.921 -15.496
  281   HD22  ASN  33          2HD2      ASN  33   7.609   2.580 -15.421
  282    H    LEU  34           H        LEU  34   7.853   0.291  -9.144
  283    HA   LEU  34           HA       LEU  34   5.020   1.074  -9.103
  284    HB2  LEU  34           2HB      LEU  34   6.348  -1.065  -7.431
  285    HB3  LEU  34           1HB      LEU  34   4.772  -0.385  -7.066
  286    HG   LEU  34           HG       LEU  34   5.466  -1.913  -9.575
  287   HD11  LEU  34          1HD1      LEU  34   5.452  -3.323  -7.570
  288   HD12  LEU  34          2HD1      LEU  34   4.092  -3.686  -8.632
  289   HD13  LEU  34          3HD1      LEU  34   3.838  -2.732  -7.171
  290   HD21  LEU  34          3HD2      LEU  34   3.060  -1.866  -9.997
  291   HD22  LEU  34          1HD2      LEU  34   3.729  -0.236  -9.934
  292   HD23  LEU  34          2HD2      LEU  34   2.824  -0.870  -8.560
  293    H    THR  35           H        THR  35   4.427   1.954  -6.895
  294    HA   THR  35           HA       THR  35   6.695   3.501  -5.846
  295    HB   THR  35           HB       THR  35   5.033   5.031  -4.912
  296    HG1  THR  35           1HG      THR  35   3.010   3.488  -6.212
  297   HG21  THR  35          3HG2      THR  35   5.766   5.432  -7.207
  298   HG22  THR  35          1HG2      THR  35   4.084   5.913  -6.996
  299   HG23  THR  35          2HG2      THR  35   4.471   4.398  -7.813
  300    H    LEU  36           H        LEU  36   6.972   3.664  -3.553
  301    HA   LEU  36           HA       LEU  36   6.395   1.380  -2.011
  302    HB2  LEU  36           2HB      LEU  36   7.259   2.553  -0.129
  303    HB3  LEU  36           1HB      LEU  36   8.235   2.975  -1.515
  304    HG   LEU  36           HG       LEU  36   6.083   4.746  -0.345
  305   HD11  LEU  36          1HD1      LEU  36   7.919   4.422   1.223
  306   HD12  LEU  36          2HD1      LEU  36   7.950   6.054   0.553
  307   HD13  LEU  36          3HD1      LEU  36   9.083   4.836  -0.037
  308   HD21  LEU  36          3HD2      LEU  36   7.192   6.501  -1.687
  309   HD22  LEU  36          1HD2      LEU  36   6.472   5.236  -2.685
  310   HD23  LEU  36          2HD2      LEU  36   8.215   5.264  -2.418
  311    H    SER  37           H        SER  37   4.600   4.271  -2.650
  312    HA   SER  37           HA       SER  37   2.556   3.960  -0.768
  313    HB2  SER  37           2HB      SER  37   2.319   4.923  -3.635
  314    HB3  SER  37           1HB      SER  37   1.183   5.252  -2.326
  315    HG   SER  37           HG       SER  37   3.606   6.427  -2.901
  316    H    ASP  38           H        ASP  38   2.935   2.591  -4.030
  317    HA   ASP  38           HA       ASP  38   0.575   1.064  -4.042
  318    HB2  ASP  38           2HB      ASP  38   3.197   0.690  -5.490
  319    HB3  ASP  38           1HB      ASP  38   1.840  -0.406  -5.715
  320    H    VAL  39           H        VAL  39   3.895   0.181  -3.161
  321    HA   VAL  39           HA       VAL  39   3.378  -2.513  -2.541
  322    HB   VAL  39           HB       VAL  39   5.522  -0.726  -1.365
  323   HG11  VAL  39          1HG1      VAL  39   5.239  -2.813  -0.123
  324   HG12  VAL  39          2HG1      VAL  39   6.769  -2.791  -0.999
  325   HG13  VAL  39          3HG1      VAL  39   5.412  -3.730  -1.621
  326   HG21  VAL  39          3HG2      VAL  39   5.612  -0.680  -3.785
  327   HG22  VAL  39          1HG2      VAL  39   5.556  -2.442  -3.845
  328   HG23  VAL  39          2HG2      VAL  39   6.959  -1.628  -3.153
  329    H    CYS  40           H        CYS  40   3.017   0.411  -0.638
  330    HA   CYS  40           HA       CYS  40   2.798  -0.887   1.882
  331    HB2  CYS  40           2HB      CYS  40   3.291   1.622   1.234
  332    HB3  CYS  40           1HB      CYS  40   1.534   1.788   1.319
  333    HG   CYS  40           HG       CYS  40   3.790   1.402   3.781
  334    H    ARG  41           H        ARG  41   0.286   0.602  -0.190
  335    HA   ARG  41           HA       ARG  41  -1.851  -0.508   1.273
  336    HB2  ARG  41           2HB      ARG  41  -3.247   0.048  -0.722
  337    HB3  ARG  41           1HB      ARG  41  -2.319   1.384  -0.066
  338    HG2  ARG  41           2HG      ARG  41  -1.960   1.716  -2.276
  339    HG3  ARG  41           1HG      ARG  41  -0.603   0.648  -1.925
  340    HD2  ARG  41           2HD      ARG  41  -1.735  -1.230  -2.830
  341    HD3  ARG  41           1HD      ARG  41  -3.258  -0.346  -2.924
  342    HE   ARG  41           HE       ARG  41  -0.888   0.246  -4.585
  343   HH11  ARG  41          1HH1      ARG  41  -4.389   0.068  -4.231
  344   HH12  ARG  41          2HH1      ARG  41  -4.693   0.648  -5.837
  345   HH21  ARG  41          1HH2      ARG  41  -1.305   1.023  -6.670
  346   HH22  ARG  41          2HH2      ARG  41  -2.950   1.197  -7.215
  347    H    LEU  42           H        LEU  42   0.030  -1.794  -1.415
  348    HA   LEU  42           HA       LEU  42  -1.644  -4.092  -1.774
  349    HB2  LEU  42           2HB      LEU  42   1.233  -3.596  -2.532
  350    HB3  LEU  42           1HB      LEU  42   0.346  -5.044  -2.962
  351    HG   LEU  42           HG       LEU  42  -0.332  -2.241  -3.850
  352   HD11  LEU  42          1HD1      LEU  42   0.325  -3.066  -6.077
  353   HD12  LEU  42          2HD1      LEU  42   0.856  -4.579  -5.342
  354   HD13  LEU  42          3HD1      LEU  42   1.671  -3.068  -4.937
  355   HD21  LEU  42          3HD2      LEU  42  -1.978  -3.332  -5.301
  356   HD22  LEU  42          1HD2      LEU  42  -2.326  -3.617  -3.595
  357   HD23  LEU  42          2HD2      LEU  42  -1.587  -4.887  -4.569
  358    H    ALA  43           H        ALA  43   0.664  -3.138   0.530
  359    HA   ALA  43           HA       ALA  43   1.552  -5.704   1.349
  360    HB1  ALA  43           1HB      ALA  43   2.426  -4.573   3.311
  361    HB2  ALA  43           2HB      ALA  43   1.522  -3.119   2.886
  362    HB3  ALA  43           3HB      ALA  43   2.822  -3.685   1.838
  363    H    ILE  44           H        ILE  44  -0.924  -3.442   2.576
  364    HA   ILE  44           HA       ILE  44  -1.838  -5.247   4.580
  365    HB   ILE  44           HB       ILE  44  -3.930  -3.806   4.602
  366   HG12  ILE  44          2HG1      ILE  44  -2.276  -2.214   2.635
  367   HG13  ILE  44          1HG1      ILE  44  -3.884  -2.890   2.376
  368   HG21  ILE  44          1HG2      ILE  44  -2.781  -1.935   5.711
  369   HG22  ILE  44          2HG2      ILE  44  -1.249  -2.523   5.065
  370   HG23  ILE  44          3HG2      ILE  44  -2.162  -3.510   6.206
  371   HD11  ILE  44          3HD1      ILE  44  -4.798  -1.372   4.050
  372   HD12  ILE  44          1HD1      ILE  44  -3.991  -0.496   2.751
  373   HD13  ILE  44          2HD1      ILE  44  -3.192  -0.689   4.312
  374    H    LYS  45           H        LYS  45  -2.609  -4.726   1.218
  375    HA   LYS  45           HA       LYS  45  -4.852  -6.385   1.021
  376    HB2  LYS  45           2HB      LYS  45  -3.904  -4.914  -0.802
  377    HB3  LYS  45           1HB      LYS  45  -2.637  -6.105  -1.026
  378    HG2  LYS  45           2HG      LYS  45  -5.554  -6.779  -1.318
  379    HG3  LYS  45           1HG      LYS  45  -4.575  -6.172  -2.652
  380    HD2  LYS  45           2HD      LYS  45  -3.056  -8.081  -2.399
  381    HD3  LYS  45           1HD      LYS  45  -4.041  -8.686  -1.066
  382    HE2  LYS  45           2HE      LYS  45  -5.966  -8.826  -2.637
  383    HE3  LYS  45           1HE      LYS  45  -4.876  -8.371  -3.946
  384    HZ1  LYS  45           3HZ      LYS  45  -4.815 -10.843  -2.308
  385    HZ2  LYS  45           1HZ      LYS  45  -3.515 -10.364  -3.284
  386    HZ3  LYS  45           2HZ      LYS  45  -5.023 -10.705  -3.982
  387    H    GLU  46           H        GLU  46  -1.390  -7.081   0.924
  388    HA   GLU  46           HA       GLU  46  -1.620  -9.874   0.457
  389    HB2  GLU  46           2HB      GLU  46   0.423  -8.488   0.014
  390    HB3  GLU  46           1HB      GLU  46   0.653  -8.340   1.751
  391    HG2  GLU  46           2HG      GLU  46   2.118 -10.029   1.044
  392    HG3  GLU  46           1HG      GLU  46   0.772 -10.858   1.822
  393    H    TYR  47           H        TYR  47  -1.484  -7.810   3.252
  394    HA   TYR  47           HA       TYR  47  -1.116  -9.728   5.250
  395    HB2  TYR  47           2HB      TYR  47  -1.019  -7.169   5.416
  396    HB3  TYR  47           1HB      TYR  47  -2.769  -7.226   5.566
  397    HD1  TYR  47           1HD      TYR  47  -3.810  -8.228   7.571
  398    HD2  TYR  47           2HD      TYR  47   0.408  -7.807   7.210
  399    HE1  TYR  47           1HE      TYR  47  -3.573  -8.566   9.996
  400    HE2  TYR  47           2HE      TYR  47   0.659  -8.142   9.631
  401    HH   TYR  47           HH       TYR  47  -0.558  -8.033  11.642
  402    H    LEU  48           H        LEU  48  -4.056  -8.321   3.861
  403    HA   LEU  48           HA       LEU  48  -5.893  -9.880   5.344
  404    HB2  LEU  48           2HB      LEU  48  -6.263  -8.631   2.618
  405    HB3  LEU  48           1HB      LEU  48  -7.542  -9.180   3.681
  406    HG   LEU  48           HG       LEU  48  -5.668  -6.874   4.210
  407   HD11  LEU  48          1HD1      LEU  48  -8.613  -6.942   3.569
  408   HD12  LEU  48          2HD1      LEU  48  -7.328  -6.411   2.484
  409   HD13  LEU  48          3HD1      LEU  48  -7.670  -5.503   3.958
  410   HD21  LEU  48          3HD2      LEU  48  -7.961  -7.969   5.837
  411   HD22  LEU  48          1HD2      LEU  48  -7.123  -6.450   6.158
  412   HD23  LEU  48          2HD2      LEU  48  -6.255  -7.980   6.285
  413    H    ASP  49           H        ASP  49  -4.416 -10.269   2.168
  414    HA   ASP  49           HA       ASP  49  -5.917 -12.452   1.275
  415    HB2  ASP  49           2HB      ASP  49  -4.339 -10.952  -0.047
  416    HB3  ASP  49           1HB      ASP  49  -3.028 -11.953   0.565
  417    H    ASN  50           H        ASN  50  -2.943 -12.334   3.178
  418    HA   ASN  50           HA       ASN  50  -2.571 -15.181   3.093
  419    HB2  ASN  50           2HB      ASN  50  -1.187 -12.919   4.489
  420    HB3  ASN  50           1HB      ASN  50  -0.883 -14.574   5.009
  421   HD21  ASN  50          1HD2      ASN  50  -0.532 -12.260   2.461
  422   HD22  ASN  50          2HD2      ASN  50   0.606 -13.165   1.524
  423    H    HIS  51           H        HIS  51  -4.440 -13.062   5.015
  424    HA   HIS  51           HA       HIS  51  -4.681 -15.019   7.169
  425    HB2  HIS  51           2HB      HIS  51  -5.672 -12.207   6.807
  426    HB3  HIS  51           1HB      HIS  51  -6.410 -13.257   8.012
  427    HD1  HIS  51           1HD      HIS  51  -5.473 -12.790  10.239
  428    HD2  HIS  51           2HD      HIS  51  -2.598 -12.445   7.246
  429    HE1  HIS  51           1HE      HIS  51  -3.327 -12.193  11.413
  430    HE2  HIS  51           2HE      HIS  51  -1.565 -12.232   9.613
  431    H    ASP  52           H        ASP  52  -6.262 -14.012   4.297
  432    HA   ASP  52           HA       ASP  52  -8.720 -15.424   4.963
  433    HB2  ASP  52           2HB      ASP  52  -8.846 -13.255   3.779
  434    HB3  ASP  52           1HB      ASP  52  -7.944 -13.949   2.436
  435    H    LYS  53           H        LYS  53  -6.739 -17.159   5.075
  436    HA   LYS  53           HA       LYS  53  -6.418 -18.557   2.561
  437    HB2  LYS  53           2HB      LYS  53  -4.760 -18.461   4.581
  438    HB3  LYS  53           1HB      LYS  53  -5.785 -19.709   5.273
  439    HG2  LYS  53           2HG      LYS  53  -4.532 -19.973   2.554
  440    HG3  LYS  53           1HG      LYS  53  -3.722 -20.484   4.035
  441    HD2  LYS  53           2HD      LYS  53  -5.466 -22.072   4.503
  442    HD3  LYS  53           1HD      LYS  53  -6.429 -21.477   3.148
  443    HE2  LYS  53           2HE      LYS  53  -5.293 -23.569   2.588
  444    HE3  LYS  53           1HE      LYS  53  -4.721 -22.239   1.584
  445    HZ1  LYS  53           3HZ      LYS  53  -3.329 -23.358   3.957
  446    HZ2  LYS  53           1HZ      LYS  53  -2.784 -22.043   3.039
  447    HZ3  LYS  53           2HZ      LYS  53  -2.883 -23.581   2.338
  448    H    GLN  54           H        GLN  54  -7.759 -19.482   5.725
  449    HA   GLN  54           HA       GLN  54  -9.685 -20.488   6.350
  450    HB2  GLN  54           2HB      GLN  54 -10.526 -19.903   3.514
  451    HB3  GLN  54           1HB      GLN  54 -11.592 -20.584   4.733
  452    HG2  GLN  54           2HG      GLN  54 -10.247 -17.892   4.852
  453    HG3  GLN  54           1HG      GLN  54 -11.944 -18.194   4.486
  454   HE21  GLN  54          1HE2      GLN  54  -9.538 -18.008   6.946
  455   HE22  GLN  54          2HE2      GLN  54 -10.608 -18.133   8.302
  456    H    LYS  55           H        LYS  55 -10.753 -22.469   6.350
  457    HA   LYS  55           HA       LYS  55  -9.651 -24.482   4.507
  458    HB2  LYS  55           2HB      LYS  55 -10.324 -24.757   7.439
  459    HB3  LYS  55           1HB      LYS  55 -10.012 -26.127   6.384
  460    HG2  LYS  55           2HG      LYS  55  -7.757 -25.288   5.956
  461    HG3  LYS  55           1HG      LYS  55  -8.069 -23.915   7.019
  462    HD2  LYS  55           2HD      LYS  55  -6.812 -25.640   8.188
  463    HD3  LYS  55           1HD      LYS  55  -8.417 -25.456   8.895
  464    HE2  LYS  55           2HE      LYS  55  -7.853 -27.807   8.700
  465    HE3  LYS  55           1HE      LYS  55  -9.188 -27.411   7.619
  466    HZ1  LYS  55           3HZ      LYS  55  -7.554 -28.835   6.548
  467    HZ2  LYS  55           1HZ      LYS  55  -6.339 -27.681   6.812
  468    HZ3  LYS  55           2HZ      LYS  55  -7.633 -27.331   5.773
  469    H    LYS  56           H        LYS  56 -11.260 -24.652   3.076
  470    HA   LYS  56           HA       LYS  56 -13.245 -25.189   2.144
  471    HB2  LYS  56           2HB      LYS  56 -13.116 -27.196   3.567
  472    HB3  LYS  56           1HB      LYS  56 -13.912 -26.325   4.867
  473    HG2  LYS  56           2HG      LYS  56 -15.918 -26.100   3.508
  474    HG3  LYS  56           1HG      LYS  56 -15.118 -26.941   2.178
  475    HD2  LYS  56           2HD      LYS  56 -14.909 -28.942   3.549
  476    HD3  LYS  56           1HD      LYS  56 -15.657 -28.103   4.911
  477    HE2  LYS  56           2HE      LYS  56 -17.255 -29.549   3.753
  478    HE3  LYS  56           1HE      LYS  56 -17.718 -27.851   3.647
  479    HZ1  LYS  56           3HZ      LYS  56 -16.327 -29.383   1.514
  480    HZ2  LYS  56           1HZ      LYS  56 -16.831 -27.766   1.414
  481    HZ3  LYS  56           2HZ      LYS  56 -17.981 -29.006   1.532
  482    H1   GLY   2           1HT      GLY   2  21.640  14.050  17.689
  483    H2   GLY   2           2HT      GLY   2  21.652  12.646  16.741
  484    H3   GLY   2           3HT      GLY   2  20.216  13.524  16.932
  485    HA2  GLY   2           1HA      GLY   2  21.138  15.383  15.731
  486    HA3  GLY   2           2HA      GLY   2  22.661  14.516  15.579
  487    H    ARG   3           H        ARG   3  22.642  14.505  13.348
  488    HA   ARG   3           HA       ARG   3  20.430  13.033  12.066
  489    HB2  ARG   3           2HB      ARG   3  22.435  14.996  10.942
  490    HB3  ARG   3           1HB      ARG   3  21.322  14.066   9.949
  491    HG2  ARG   3           2HG      ARG   3  19.434  15.160  10.912
  492    HG3  ARG   3           1HG      ARG   3  20.446  15.947  12.125
  493    HD2  ARG   3           2HD      ARG   3  20.737  16.379   9.158
  494    HD3  ARG   3           1HD      ARG   3  19.774  17.418  10.212
  495    HE   ARG   3           HE       ARG   3  22.260  17.296  11.379
  496   HH11  ARG   3          1HH1      ARG   3  21.035  18.311   8.238
  497   HH12  ARG   3          2HH1      ARG   3  22.261  19.531   8.037
  498   HH21  ARG   3          1HH2      ARG   3  23.856  18.870  11.094
  499   HH22  ARG   3          2HH2      ARG   3  23.858  19.853   9.660
  500    HA   PRO   4           HA       PRO   4  23.496   9.744  11.599
  501    HB2  PRO   4           2HB      PRO   4  21.268   8.439  10.172
  502    HB3  PRO   4           1HB      PRO   4  22.173   7.884  11.583
  503    HG2  PRO   4           2HG      PRO   4  19.633   8.722  11.794
  504    HG3  PRO   4           1HG      PRO   4  20.826   9.037  13.068
  505    HD2  PRO   4           2HD      PRO   4  19.799  10.878  10.937
  506    HD3  PRO   4           1HD      PRO   4  20.110  11.208  12.655
  507    H    TYR   5           H        TYR   5  21.422  11.175   9.203
  508    HA   TYR   5           HA       TYR   5  23.579  11.093   7.246
  509    HB2  TYR   5           2HB      TYR   5  20.770  10.103   6.677
  510    HB3  TYR   5           1HB      TYR   5  21.957  10.465   5.432
  511    HD1  TYR   5           1HD      TYR   5  23.898   9.004   5.107
  512    HD2  TYR   5           2HD      TYR   5  20.912   8.087   7.997
  513    HE1  TYR   5           1HE      TYR   5  24.744   6.699   5.242
  514    HE2  TYR   5           2HE      TYR   5  21.754   5.783   8.144
  515    HH   TYR   5           HH       TYR   5  24.744   4.822   6.799
  516    H    LYS   6           H        LYS   6  20.132  11.889   7.240
  517    HA   LYS   6           HA       LYS   6  20.691  14.724   7.291
  518    HB2  LYS   6           2HB      LYS   6  19.180  15.041   5.235
  519    HB3  LYS   6           1HB      LYS   6  20.839  14.531   4.963
  520    HG2  LYS   6           2HG      LYS   6  20.027  12.193   4.769
  521    HG3  LYS   6           1HG      LYS   6  18.376  12.807   4.877
  522    HD2  LYS   6           2HD      LYS   6  18.711  14.129   2.869
  523    HD3  LYS   6           1HD      LYS   6  20.398  13.619   2.786
  524    HE2  LYS   6           2HE      LYS   6  19.588  11.265   2.576
  525    HE3  LYS   6           1HE      LYS   6  17.946  11.899   2.462
  526    HZ1  LYS   6           3HZ      LYS   6  20.191  12.428   0.589
  527    HZ2  LYS   6           1HZ      LYS   6  18.677  13.195   0.509
  528    HZ3  LYS   6           2HZ      LYS   6  18.794  11.517   0.275
  529    H    LEU   7           H        LEU   7  18.122  12.332   6.679
  530    HA   LEU   7           HA       LEU   7  16.327  13.817   8.421
  531    HB2  LEU   7           2HB      LEU   7  15.967  11.314   6.772
  532    HB3  LEU   7           1HB      LEU   7  14.757  11.872   7.906
  533    HG   LEU   7           HG       LEU   7  14.045  12.576   5.771
  534   HD11  LEU   7          1HD1      LEU   7  13.793  14.259   7.513
  535   HD12  LEU   7          2HD1      LEU   7  14.018  14.990   5.926
  536   HD13  LEU   7          3HD1      LEU   7  15.355  14.949   7.075
  537   HD21  LEU   7          3HD2      LEU   7  16.132  12.290   4.564
  538   HD22  LEU   7          1HD2      LEU   7  16.789  13.736   5.330
  539   HD23  LEU   7          2HD2      LEU   7  15.419  13.866   4.225
  540    H    LEU   8           H        LEU   8  15.372  12.839  10.291
  541    HA   LEU   8           HA       LEU   8  17.348  11.260  11.720
  542    HB2  LEU   8           2HB      LEU   8  14.922  12.797  12.643
  543    HB3  LEU   8           1HB      LEU   8  15.863  11.778  13.714
  544    HG   LEU   8           HG       LEU   8  17.873  13.211  13.102
  545   HD11  LEU   8          1HD1      LEU   8  16.964  14.253  11.092
  546   HD12  LEU   8          2HD1      LEU   8  17.415  15.463  12.293
  547   HD13  LEU   8          3HD1      LEU   8  15.718  15.044  12.060
  548   HD21  LEU   8          3HD2      LEU   8  16.755  13.360  15.246
  549   HD22  LEU   8          1HD2      LEU   8  15.560  14.467  14.567
  550   HD23  LEU   8          2HD2      LEU   8  17.247  14.962  14.697
  551    H    ASN   9           H        ASN   9  16.851   9.353  10.475
  552    HA   ASN   9           HA       ASN   9  16.049   7.239  10.311
  553    HB2  ASN   9           2HB      ASN   9  15.070   7.858  13.103
  554    HB3  ASN   9           1HB      ASN   9  15.023   6.255  12.373
  555   HD21  ASN   9          1HD2      ASN   9  16.949   5.153  12.010
  556   HD22  ASN   9          2HD2      ASN   9  18.421   5.609  12.795
  557    H    GLY  10           H        GLY  10  14.366   9.343   9.249
  558    HA2  GLY  10           2HA      GLY  10  11.978   7.780   8.928
  559    HA3  GLY  10           1HA      GLY  10  11.712   9.263   9.832
  560    H    ILE  11           H        ILE  11  11.563   7.914   6.882
  561    HA   ILE  11           HA       ILE  11  11.962  10.466   5.460
  562    HB   ILE  11           HB       ILE  11  11.589   7.739   4.210
  563   HG12  ILE  11          2HG1      ILE  11  13.601   7.662   5.590
  564   HG13  ILE  11          1HG1      ILE  11  14.027   7.669   3.880
  565   HG21  ILE  11          1HG2      ILE  11  12.673  10.330   3.118
  566   HG22  ILE  11          2HG2      ILE  11  11.108   9.606   2.742
  567   HG23  ILE  11          3HG2      ILE  11  12.596   8.803   2.240
  568   HD11  ILE  11          3HD1      ILE  11  15.499   9.102   5.203
  569   HD12  ILE  11          1HD1      ILE  11  14.104  10.063   5.701
  570   HD13  ILE  11          2HD1      ILE  11  14.586  10.021   4.004
  571    H    LYS  12           H        LYS  12  10.240  11.104   3.955
  572    HA   LYS  12           HA       LYS  12   7.664  10.384   5.155
  573    HB2  LYS  12           2HB      LYS  12   8.260  12.741   5.296
  574    HB3  LYS  12           1HB      LYS  12   8.486  12.812   3.555
  575    HG2  LYS  12           2HG      LYS  12   6.377  13.812   4.175
  576    HG3  LYS  12           1HG      LYS  12   6.102  12.348   3.231
  577    HD2  LYS  12           2HD      LYS  12   5.704  11.108   5.328
  578    HD3  LYS  12           1HD      LYS  12   5.905  12.612   6.232
  579    HE2  LYS  12           2HE      LYS  12   4.012  13.583   5.012
  580    HE3  LYS  12           1HE      LYS  12   3.809  12.069   4.133
  581    HZ1  LYS  12           3HZ      LYS  12   3.512  12.445   7.067
  582    HZ2  LYS  12           1HZ      LYS  12   3.363  10.969   6.250
  583    HZ3  LYS  12           2HZ      LYS  12   2.254  12.210   5.951
  584    H    LEU  13           H        LEU  13   6.244   9.285   4.096
  585    HA   LEU  13           HA       LEU  13   6.210   9.312   1.165
  586    HB2  LEU  13           2HB      LEU  13   5.608   6.882   1.249
  587    HB3  LEU  13           1HB      LEU  13   7.259   7.245   1.703
  588    HG   LEU  13           HG       LEU  13   5.183   6.927   3.839
  589   HD11  LEU  13          1HD1      LEU  13   4.930   4.968   2.402
  590   HD12  LEU  13          2HD1      LEU  13   5.680   4.538   3.939
  591   HD13  LEU  13          3HD1      LEU  13   6.667   4.677   2.485
  592   HD21  LEU  13          3HD2      LEU  13   8.153   6.389   3.689
  593   HD22  LEU  13          1HD2      LEU  13   7.138   6.112   5.105
  594   HD23  LEU  13          2HD2      LEU  13   7.376   7.754   4.499
  595    H    GLY  14           H        GLY  14   4.103   8.624   0.283
  596    HA2  GLY  14           2HA      GLY  14   1.868   8.864   2.146
  597    HA3  GLY  14           1HA      GLY  14   2.016  10.093   0.896
  598    H    VAL  15           H        VAL  15   0.441   7.361   1.648
  599    HA   VAL  15           HA       VAL  15   0.454   6.284  -1.093
  600    HB   VAL  15           HB       VAL  15  -0.491   4.881   1.422
  601   HG11  VAL  15          1HG1      VAL  15   0.080   3.837  -1.349
  602   HG12  VAL  15          2HG1      VAL  15  -1.510   4.030  -0.610
  603   HG13  VAL  15          3HG1      VAL  15  -0.369   2.860   0.051
  604   HG21  VAL  15          3HG2      VAL  15   1.587   3.625   1.349
  605   HG22  VAL  15          1HG2      VAL  15   1.896   5.347   1.564
  606   HG23  VAL  15          2HG2      VAL  15   2.143   4.596  -0.015
  607    H    TYR  16           H        TYR  16  -1.462   6.032  -2.210
  608    HA   TYR  16           HA       TYR  16  -3.921   7.051  -0.945
  609    HB2  TYR  16           2HB      TYR  16  -2.878   7.097  -3.691
  610    HB3  TYR  16           1HB      TYR  16  -4.563   6.596  -3.572
  611    HD1  TYR  16           1HD      TYR  16  -5.809   8.143  -1.659
  612    HD2  TYR  16           2HD      TYR  16  -2.665   9.329  -4.256
  613    HE1  TYR  16           1HE      TYR  16  -6.540  10.466  -1.457
  614    HE2  TYR  16           2HE      TYR  16  -3.390  11.673  -4.068
  615    HH   TYR  16           HH       TYR  16  -5.795  12.683  -1.775
  616    H    ILE  17           H        ILE  17  -5.450   5.621  -0.344
  617    HA   ILE  17           HA       ILE  17  -5.708   3.172  -1.908
  618    HB   ILE  17           HB       ILE  17  -5.836   1.693  -0.054
  619   HG12  ILE  17          2HG1      ILE  17  -5.366   4.058   1.770
  620   HG13  ILE  17          1HG1      ILE  17  -6.895   3.200   1.581
  621   HG21  ILE  17          1HG2      ILE  17  -3.574   1.790   0.858
  622   HG22  ILE  17          2HG2      ILE  17  -3.413   3.447   0.277
  623   HG23  ILE  17          3HG2      ILE  17  -3.594   2.124  -0.873
  624   HD11  ILE  17          3HD1      ILE  17  -5.905   2.356   3.542
  625   HD12  ILE  17          1HD1      ILE  17  -4.332   2.182   2.757
  626   HD13  ILE  17          2HD1      ILE  17  -5.663   1.119   2.299
  627    HA   PRO  18           HA       PRO  18 -10.014   3.794  -1.917
  628    HB2  PRO  18           2HB      PRO  18 -10.352   0.989  -0.988
  629    HB3  PRO  18           1HB      PRO  18 -10.997   1.785  -2.428
  630    HG2  PRO  18           2HG      PRO  18  -8.976   0.077  -2.630
  631    HG3  PRO  18           1HG      PRO  18  -9.002   1.563  -3.600
  632    HD2  PRO  18           2HD      PRO  18  -7.441   0.939  -1.125
  633    HD3  PRO  18           1HD      PRO  18  -6.942   1.826  -2.583
  634    H    GLN  19           H        GLN  19 -11.877   4.018  -0.724
  635    HA   GLN  19           HA       GLN  19 -11.563   4.665   2.003
  636    HB2  GLN  19           2HB      GLN  19 -13.133   5.884   0.673
  637    HB3  GLN  19           1HB      GLN  19 -13.992   4.417   0.236
  638    HG2  GLN  19           2HG      GLN  19 -15.332   5.531   1.816
  639    HG3  GLN  19           1HG      GLN  19 -14.605   4.170   2.655
  640   HE21  GLN  19          1HE2      GLN  19 -12.029   5.429   3.025
  641   HE22  GLN  19          2HE2      GLN  19 -12.245   6.647   4.232
  642    H    GLU  20           H        GLU  20 -12.950   1.887   0.342
  643    HA   GLU  20           HA       GLU  20 -14.209   0.578   2.439
  644    HB2  GLU  20           2HB      GLU  20 -12.534  -0.843   0.365
  645    HB3  GLU  20           1HB      GLU  20 -13.955  -1.456   1.193
  646    HG2  GLU  20           2HG      GLU  20 -14.785  -0.960  -0.889
  647    HG3  GLU  20           1HG      GLU  20 -15.175   0.505   0.012
  648    H    TRP  21           H        TRP  21 -10.825   0.842   1.665
  649    HA   TRP  21           HA       TRP  21  -9.944  -1.150   3.524
  650    HB2  TRP  21           2HB      TRP  21  -8.507   1.028   2.006
  651    HB3  TRP  21           1HB      TRP  21  -7.689  -0.074   3.107
  652    HD1  TRP  21           HD       TRP  21 -10.313  -1.834   1.085
  653    HE1  TRP  21           1HE      TRP  21  -9.170  -3.186  -0.795
  654    HE3  TRP  21           3HE      TRP  21  -5.636   0.125   1.461
  655    HZ2  TRP  21           2HZ      TRP  21  -6.571  -3.367  -1.961
  656    HZ3  TRP  21           3HZ      TRP  21  -3.880  -0.666  -0.052
  657    HH2  TRP  21           HH       TRP  21  -4.329  -2.364  -1.712
  658    H    HIS  22           H        HIS  22 -10.012   2.388   3.382
  659    HA   HIS  22           HA       HIS  22  -8.820   2.914   5.834
  660    HB2  HIS  22           2HB      HIS  22 -10.295   4.402   3.882
  661    HB3  HIS  22           1HB      HIS  22 -10.855   4.841   5.497
  662    HD1  HIS  22           1HD      HIS  22  -9.586   6.738   6.449
  663    HD2  HIS  22           2HD      HIS  22  -7.255   4.410   3.905
  664    HE1  HIS  22           1HE      HIS  22  -7.316   7.821   6.431
  665    HE2  HIS  22           2HE      HIS  22  -5.940   6.436   4.834
  666    H    ASP  23           H        ASP  23 -12.264   2.335   5.109
  667    HA   ASP  23           HA       ASP  23 -13.293   2.712   7.662
  668    HB2  ASP  23           2HB      ASP  23 -14.710   2.315   5.702
  669    HB3  ASP  23           1HB      ASP  23 -14.146   0.648   5.618
  670    H    ARG  24           H        ARG  24 -12.016  -0.315   6.254
  671    HA   ARG  24           HA       ARG  24 -12.471  -1.786   8.664
  672    HB2  ARG  24           2HB      ARG  24 -11.300  -2.326   6.008
  673    HB3  ARG  24           1HB      ARG  24 -10.710  -3.335   7.320
  674    HG2  ARG  24           2HG      ARG  24 -12.627  -4.292   6.053
  675    HG3  ARG  24           1HG      ARG  24 -12.898  -4.148   7.787
  676    HD2  ARG  24           2HD      ARG  24 -14.254  -2.194   7.470
  677    HD3  ARG  24           1HD      ARG  24 -13.859  -2.141   5.752
  678    HE   ARG  24           HE       ARG  24 -14.973  -4.578   6.005
  679   HH11  ARG  24          1HH1      ARG  24 -16.083  -1.398   7.068
  680   HH12  ARG  24          2HH1      ARG  24 -17.763  -1.809   6.875
  681   HH21  ARG  24          1HH2      ARG  24 -17.174  -5.076   5.772
  682   HH22  ARG  24          2HH2      ARG  24 -18.381  -3.884   6.154
  683    H    LEU  25           H        LEU  25  -9.634  -0.234   7.242
  684    HA   LEU  25           HA       LEU  25  -7.751  -1.288   9.068
  685    HB2  LEU  25           2HB      LEU  25  -7.669   1.249   7.435
  686    HB3  LEU  25           1HB      LEU  25  -6.308   0.601   8.328
  687    HG   LEU  25           HG       LEU  25  -7.676  -0.676   5.960
  688   HD11  LEU  25          1HD1      LEU  25  -5.506  -0.359   4.877
  689   HD12  LEU  25          2HD1      LEU  25  -4.912   0.469   6.318
  690   HD13  LEU  25          3HD1      LEU  25  -6.224   1.173   5.373
  691   HD21  LEU  25          3HD2      LEU  25  -7.007  -2.394   7.535
  692   HD22  LEU  25          1HD2      LEU  25  -5.391  -1.695   7.644
  693   HD23  LEU  25          2HD2      LEU  25  -5.945  -2.406   6.127
  694    H    MET  26           H        MET  26  -9.517   1.809   9.003
  695    HA   MET  26           HA       MET  26  -8.318   2.800  11.369
  696    HB2  MET  26           2HB      MET  26 -10.981   3.569  10.163
  697    HB3  MET  26           1HB      MET  26 -10.105   4.478  11.384
  698    HG2  MET  26           2HG      MET  26  -9.266   3.983   8.540
  699    HG3  MET  26           1HG      MET  26  -9.776   5.512   9.253
  700    HE1  MET  26           3HE      MET  26  -8.288   5.432  12.068
  701    HE2  MET  26           1HE      MET  26  -8.338   6.861  11.035
  702    HE3  MET  26           2HE      MET  26  -6.797   6.290  11.679
  703    H    GLU  27           H        GLU  27 -10.990   0.660  10.790
  704    HA   GLU  27           HA       GLU  27 -12.108   0.745  13.377
  705    HB2  GLU  27           2HB      GLU  27 -12.928  -0.450  11.194
  706    HB3  GLU  27           1HB      GLU  27 -11.968  -1.797  11.793
  707    HG2  GLU  27           2HG      GLU  27 -14.288  -2.022  12.452
  708    HG3  GLU  27           1HG      GLU  27 -13.253  -1.794  13.867
  709    H    ILE  28           H        ILE  28  -9.637  -1.355  11.940
  710    HA   ILE  28           HA       ILE  28  -8.981  -2.756  14.310
  711    HB   ILE  28           HB       ILE  28  -7.229  -2.213  11.902
  712   HG12  ILE  28          2HG1      ILE  28  -9.035  -4.567  12.492
  713   HG13  ILE  28          1HG1      ILE  28  -9.387  -3.290  11.332
  714   HG21  ILE  28          1HG2      ILE  28  -6.039  -4.256  12.593
  715   HG22  ILE  28          2HG2      ILE  28  -7.035  -4.322  14.047
  716   HG23  ILE  28          3HG2      ILE  28  -5.928  -2.973  13.797
  717   HD11  ILE  28          3HD1      ILE  28  -7.427  -3.949  10.027
  718   HD12  ILE  28          1HD1      ILE  28  -8.575  -5.276  10.214
  719   HD13  ILE  28          2HD1      ILE  28  -7.099  -5.242  11.182
  720    H    ALA  29           H        ALA  29  -8.041   0.293  12.972
  721    HA   ALA  29           HA       ALA  29  -5.697   0.824  14.391
  722    HB1  ALA  29           1HB      ALA  29  -6.110   3.161  13.877
  723    HB2  ALA  29           2HB      ALA  29  -7.786   2.792  13.470
  724    HB3  ALA  29           3HB      ALA  29  -6.476   2.149  12.481
  725    H    LYS  30           H        LYS  30  -9.085   1.212  15.304
  726    HA   LYS  30           HA       LYS  30  -8.442   2.528  17.788
  727    HB2  LYS  30           2HB      LYS  30 -11.018   1.090  17.172
  728    HB3  LYS  30           1HB      LYS  30 -10.764   2.419  18.295
  729    HG2  LYS  30           2HG      LYS  30 -10.324   3.909  16.388
  730    HG3  LYS  30           1HG      LYS  30 -10.662   2.567  15.291
  731    HD2  LYS  30           2HD      LYS  30 -12.901   2.382  16.529
  732    HD3  LYS  30           1HD      LYS  30 -12.538   3.992  17.150
  733    HE2  LYS  30           2HE      LYS  30 -13.898   4.255  15.217
  734    HE3  LYS  30           1HE      LYS  30 -12.262   4.751  14.784
  735    HZ1  LYS  30           3HZ      LYS  30 -13.395   3.323  13.113
  736    HZ2  LYS  30           1HZ      LYS  30 -13.370   2.049  14.231
  737    HZ3  LYS  30           2HZ      LYS  30 -11.914   2.703  13.655
  738    H    GLU  31           H        GLU  31  -9.226  -0.702  16.724
  739    HA   GLU  31           HA       GLU  31  -9.550  -1.950  19.204
  740    HB2  GLU  31           2HB      GLU  31  -8.494  -3.152  16.641
  741    HB3  GLU  31           1HB      GLU  31  -9.167  -4.041  17.998
  742    HG2  GLU  31           2HG      GLU  31 -10.653  -2.081  16.265
  743    HG3  GLU  31           1HG      GLU  31 -10.756  -3.837  16.166
  744    H    LYS  32           H        LYS  32  -6.656  -1.935  17.099
  745    HA   LYS  32           HA       LYS  32  -5.148  -3.142  19.291
  746    HB2  LYS  32           2HB      LYS  32  -4.742  -3.003  16.334
  747    HB3  LYS  32           1HB      LYS  32  -3.361  -3.302  17.381
  748    HG2  LYS  32           2HG      LYS  32  -4.203  -5.403  16.627
  749    HG3  LYS  32           1HG      LYS  32  -4.584  -5.243  18.341
  750    HD2  LYS  32           2HD      LYS  32  -6.875  -4.507  17.693
  751    HD3  LYS  32           1HD      LYS  32  -6.462  -4.849  16.012
  752    HE2  LYS  32           2HE      LYS  32  -5.983  -7.191  16.651
  753    HE3  LYS  32           1HE      LYS  32  -6.514  -6.823  18.290
  754    HZ1  LYS  32           3HZ      LYS  32  -8.269  -7.867  17.015
  755    HZ2  LYS  32           1HZ      LYS  32  -8.185  -6.650  15.840
  756    HZ3  LYS  32           2HZ      LYS  32  -8.708  -6.280  17.413
  757    H    ASN  33           H        ASN  33  -5.749  -0.110  18.253
  758    HA   ASN  33           HA       ASN  33  -4.851   1.928  18.664
  759    HB2  ASN  33           2HB      ASN  33  -4.378   0.921  20.922
  760    HB3  ASN  33           1HB      ASN  33  -2.767   0.518  20.341
  761   HD21  ASN  33          1HD2      ASN  33  -4.551   3.448  19.549
  762   HD22  ASN  33          2HD2      ASN  33  -3.471   4.532  20.354
  763    H    LEU  34           H        LEU  34  -4.298   1.120  16.313
  764    HA   LEU  34           HA       LEU  34  -1.452   1.731  15.867
  765    HB2  LEU  34           2HB      LEU  34  -3.246  -0.116  14.280
  766    HB3  LEU  34           1HB      LEU  34  -1.646   0.388  13.763
  767    HG   LEU  34           HG       LEU  34  -2.241  -1.209  16.256
  768   HD11  LEU  34          1HD1      LEU  34  -2.664  -2.500  14.238
  769   HD12  LEU  34          2HD1      LEU  34  -1.199  -3.064  15.042
  770   HD13  LEU  34          3HD1      LEU  34  -1.081  -2.051  13.602
  771   HD21  LEU  34          3HD2      LEU  34  -0.249   0.200  16.469
  772   HD22  LEU  34          1HD2      LEU  34   0.385  -0.465  14.963
  773   HD23  LEU  34          2HD2      LEU  34   0.181  -1.507  16.369
  774    H    THR  35           H        THR  35  -1.093   2.751  13.676
  775    HA   THR  35           HA       THR  35  -3.371   4.491  13.015
  776    HB   THR  35           HB       THR  35  -1.784   6.017  11.969
  777    HG1  THR  35           1HG      THR  35   0.351   4.383  12.920
  778   HG21  THR  35          3HG2      THR  35  -2.185   6.321  14.350
  779   HG22  THR  35          1HG2      THR  35  -0.513   6.722  13.955
  780   HG23  THR  35          2HG2      THR  35  -0.892   5.183  14.729
  781    H    LEU  36           H        LEU  36  -3.711   4.984  10.771
  782    HA   LEU  36           HA       LEU  36  -3.891   2.806   9.079
  783    HB2  LEU  36           2HB      LEU  36  -4.417   4.395   7.329
  784    HB3  LEU  36           1HB      LEU  36  -5.183   4.871   8.830
  785    HG   LEU  36           HG       LEU  36  -2.664   6.145   7.731
  786   HD11  LEU  36          1HD1      LEU  36  -5.509   7.127   7.668
  787   HD12  LEU  36          2HD1      LEU  36  -4.586   6.545   6.282
  788   HD13  LEU  36          3HD1      LEU  36  -4.087   8.015   7.122
  789   HD21  LEU  36          3HD2      LEU  36  -3.189   7.935   9.351
  790   HD22  LEU  36          1HD2      LEU  36  -2.826   6.399  10.137
  791   HD23  LEU  36          2HD2      LEU  36  -4.498   6.943   9.995
  792    H    SER  37           H        SER  37  -1.391   5.296   9.272
  793    HA   SER  37           HA       SER  37   0.257   4.425   7.207
  794    HB2  SER  37           2HB      SER  37   2.052   5.459   8.921
  795    HB3  SER  37           1HB      SER  37   0.954   6.460   7.973
  796    HG   SER  37           HG       SER  37   0.531   5.579  10.654
  797    H    ASP  38           H        ASP  38   0.121   3.426  10.610
  798    HA   ASP  38           HA       ASP  38   2.427   1.805  10.583
  799    HB2  ASP  38           2HB      ASP  38  -0.009   1.837  12.352
  800    HB3  ASP  38           1HB      ASP  38   1.228   0.602  12.540
  801    H    VAL  39           H        VAL  39  -0.987   1.053   9.999
  802    HA   VAL  39           HA       VAL  39  -0.701  -1.733   9.990
  803    HB   VAL  39           HB       VAL  39  -2.756  -0.087   8.503
  804   HG11  VAL  39          1HG1      VAL  39  -2.800  -2.985   9.341
  805   HG12  VAL  39          2HG1      VAL  39  -2.680  -2.378   7.689
  806   HG13  VAL  39          3HG1      VAL  39  -4.149  -2.104   8.626
  807   HG21  VAL  39          3HG2      VAL  39  -2.747   0.445  10.865
  808   HG22  VAL  39          1HG2      VAL  39  -2.814  -1.269  11.276
  809   HG23  VAL  39          2HG2      VAL  39  -4.180  -0.502  10.464
  810    H    CYS  40           H        CYS  40  -0.548   0.594   7.293
  811    HA   CYS  40           HA       CYS  40  -0.365  -1.392   5.293
  812    HB2  CYS  40           2HB      CYS  40   0.717   1.416   5.061
  813    HB3  CYS  40           1HB      CYS  40   0.160   0.363   3.769
  814    HG   CYS  40           HG       CYS  40  -1.787   1.885   6.134
  815    H    ARG  41           H        ARG  41   2.247   0.693   6.614
  816    HA   ARG  41           HA       ARG  41   4.330  -0.699   5.417
  817    HB2  ARG  41           2HB      ARG  41   5.810   0.427   6.991
  818    HB3  ARG  41           1HB      ARG  41   4.609   1.528   6.343
  819    HG2  ARG  41           2HG      ARG  41   4.587   2.146   8.530
  820    HG3  ARG  41           1HG      ARG  41   3.326   0.912   8.554
  821    HD2  ARG  41           2HD      ARG  41   4.895  -0.729   9.389
  822    HD3  ARG  41           1HD      ARG  41   6.219   0.434   9.259
  823    HE   ARG  41           HE       ARG  41   4.118   1.404  10.926
  824   HH11  ARG  41          1HH1      ARG  41   6.886  -0.738  10.892
  825   HH12  ARG  41          2HH1      ARG  41   7.161  -0.629  12.600
  826   HH21  ARG  41          1HH2      ARG  41   4.445   1.555  13.160
  827   HH22  ARG  41          2HH2      ARG  41   5.758   0.673  13.905
  828    H    LEU  42           H        LEU  42   2.618  -1.458   8.417
  829    HA   LEU  42           HA       LEU  42   4.497  -3.374   9.353
  830    HB2  LEU  42           2HB      LEU  42   1.556  -2.996   9.845
  831    HB3  LEU  42           1HB      LEU  42   2.422  -4.365  10.515
  832    HG   LEU  42           HG       LEU  42   3.076  -1.462  11.051
  833   HD11  LEU  42          1HD1      LEU  42   2.184  -1.881  13.280
  834   HD12  LEU  42          2HD1      LEU  42   1.738  -3.519  12.802
  835   HD13  LEU  42          3HD1      LEU  42   0.950  -2.134  12.046
  836   HD21  LEU  42          3HD2      LEU  42   4.551  -2.378  12.795
  837   HD22  LEU  42          1HD2      LEU  42   5.045  -2.886  11.179
  838   HD23  LEU  42          2HD2      LEU  42   4.188  -4.009  12.233
  839    H    ALA  43           H        ALA  43   1.875  -3.472   7.061
  840    HA   ALA  43           HA       ALA  43   1.988  -6.304   6.698
  841    HB1  ALA  43           1HB      ALA  43  -0.034  -5.039   6.198
  842    HB2  ALA  43           2HB      ALA  43   0.543  -5.913   4.779
  843    HB3  ALA  43           3HB      ALA  43   0.819  -4.177   4.919
  844    H    ILE  44           H        ILE  44   3.788  -3.585   5.483
  845    HA   ILE  44           HA       ILE  44   4.925  -4.888   3.217
  846    HB   ILE  44           HB       ILE  44   6.075  -2.661   4.921
  847   HG12  ILE  44          2HG1      ILE  44   4.626  -2.616   2.267
  848   HG13  ILE  44          1HG1      ILE  44   4.018  -2.001   3.803
  849   HG21  ILE  44          1HG2      ILE  44   6.976  -3.636   2.211
  850   HG22  ILE  44          2HG2      ILE  44   7.830  -3.890   3.733
  851   HG23  ILE  44          3HG2      ILE  44   7.633  -2.259   3.094
  852   HD11  ILE  44          3HD1      ILE  44   5.751  -0.302   3.829
  853   HD12  ILE  44          1HD1      ILE  44   4.798  -0.204   2.348
  854   HD13  ILE  44          2HD1      ILE  44   6.408  -0.927   2.317
  855    H    LYS  45           H        LYS  45   5.763  -4.593   6.608
  856    HA   LYS  45           HA       LYS  45   8.130  -6.036   6.635
  857    HB2  LYS  45           2HB      LYS  45   7.275  -4.819   8.593
  858    HB3  LYS  45           1HB      LYS  45   5.936  -5.941   8.725
  859    HG2  LYS  45           2HG      LYS  45   8.787  -6.844   8.979
  860    HG3  LYS  45           1HG      LYS  45   7.874  -6.221  10.352
  861    HD2  LYS  45           2HD      LYS  45   6.158  -7.966   9.933
  862    HD3  LYS  45           1HD      LYS  45   7.182  -8.619   8.654
  863    HE2  LYS  45           2HE      LYS  45   8.971  -8.951  10.345
  864    HE3  LYS  45           1HE      LYS  45   7.832  -8.438  11.590
  865    HZ1  LYS  45           3HZ      LYS  45   6.397 -10.330  10.433
  866    HZ2  LYS  45           1HZ      LYS  45   7.495 -10.654  11.693
  867    HZ3  LYS  45           2HZ      LYS  45   7.949 -10.931  10.082
  868    H    GLU  46           H        GLU  46   4.770  -7.164   6.877
  869    HA   GLU  46           HA       GLU  46   5.481  -9.917   7.068
  870    HB2  GLU  46           2HB      GLU  46   3.115  -8.371   7.290
  871    HB3  GLU  46           1HB      GLU  46   2.827  -9.571   6.035
  872    HG2  GLU  46           2HG      GLU  46   2.106 -10.466   8.123
  873    HG3  GLU  46           1HG      GLU  46   3.556 -11.330   7.618
  874    H    TYR  47           H        TYR  47   4.902  -7.681   4.484
  875    HA   TYR  47           HA       TYR  47   4.512  -9.494   2.383
  876    HB2  TYR  47           2HB      TYR  47   4.112  -7.055   2.181
  877    HB3  TYR  47           1HB      TYR  47   5.846  -6.775   2.289
  878    HD1  TYR  47           2HD      TYR  47   3.119  -7.993   0.164
  879    HD2  TYR  47           1HD      TYR  47   7.299  -7.246   0.401
  880    HE1  TYR  47           2HE      TYR  47   3.290  -8.217  -2.276
  881    HE2  TYR  47           1HE      TYR  47   7.485  -7.474  -2.038
  882    HH   TYR  47           HH       TYR  47   4.737  -7.605  -4.105
  883    H    LEU  48           H        LEU  48   7.433  -7.902   3.607
  884    HA   LEU  48           HA       LEU  48   9.263  -9.291   1.960
  885    HB2  LEU  48           2HB      LEU  48   9.796  -8.151   4.702
  886    HB3  LEU  48           1HB      LEU  48  10.973  -8.455   3.440
  887    HG   LEU  48           HG       LEU  48   8.803  -6.355   3.370
  888   HD11  LEU  48          1HD1      LEU  48  11.794  -6.128   3.652
  889   HD12  LEU  48          2HD1      LEU  48  10.599  -5.809   4.909
  890   HD13  LEU  48          3HD1      LEU  48  10.672  -4.779   3.479
  891   HD21  LEU  48          3HD2      LEU  48   9.249  -7.247   1.144
  892   HD22  LEU  48          1HD2      LEU  48  10.977  -6.983   1.373
  893   HD23  LEU  48          2HD2      LEU  48   9.876  -5.607   1.301
  894    H    ASP  49           H        ASP  49   8.067  -9.804   5.217
  895    HA   ASP  49           HA       ASP  49   9.724 -11.909   5.995
  896    HB2  ASP  49           2HB      ASP  49   8.051 -10.432   7.324
  897    HB3  ASP  49           1HB      ASP  49   6.872 -11.667   6.898
  898    H    ASN  50           H        ASN  50   6.574 -11.959   4.360
  899    HA   ASN  50           HA       ASN  50   6.394 -14.834   4.471
  900    HB2  ASN  50           2HB      ASN  50   4.708 -12.689   3.195
  901    HB3  ASN  50           1HB      ASN  50   4.418 -14.392   2.859
  902   HD21  ASN  50          1HD2      ASN  50   5.496 -13.142   5.961
  903   HD22  ASN  50          2HD2      ASN  50   4.044 -13.514   6.818
  904    H    HIS  51           H        HIS  51   7.728 -12.528   2.278
  905    HA   HIS  51           HA       HIS  51   7.749 -14.442   0.084
  906    HB2  HIS  51           2HB      HIS  51   8.552 -11.565   0.343
  907    HB3  HIS  51           1HB      HIS  51   9.169 -12.527  -0.997
  908    HD1  HIS  51           1HD      HIS  51   7.711 -12.704  -2.999
  909    HD2  HIS  51           2HD      HIS  51   5.597 -11.486   0.375
  910    HE1  HIS  51           1HE      HIS  51   5.405 -12.104  -3.816
  911    HE2  HIS  51           2HE      HIS  51   4.088 -11.558  -1.732
  912    H    ASP  52           H        ASP  52   9.968 -12.977   2.391
  913    HA   ASP  52           HA       ASP  52  12.099 -14.726   1.374
  914    HB2  ASP  52           2HB      ASP  52  12.528 -12.236   1.574
  915    HB3  ASP  52           1HB      ASP  52  12.412 -12.433   3.320
  916    H    LYS  53           H        LYS  53  10.671 -16.385   2.435
  917    HA   LYS  53           HA       LYS  53  10.909 -16.544   5.332
  918    HB2  LYS  53           2HB      LYS  53   8.784 -17.126   4.164
  919    HB3  LYS  53           1HB      LYS  53   9.613 -18.446   3.358
  920    HG2  LYS  53           2HG      LYS  53   9.569 -18.337   6.341
  921    HG3  LYS  53           1HG      LYS  53   8.145 -18.890   5.462
  922    HD2  LYS  53           2HD      LYS  53   9.609 -20.547   4.293
  923    HD3  LYS  53           1HD      LYS  53  10.921 -20.060   5.367
  924    HE2  LYS  53           2HE      LYS  53   9.852 -22.073   6.199
  925    HE3  LYS  53           1HE      LYS  53   9.569 -20.729   7.304
  926    HZ1  LYS  53           3HZ      LYS  53   7.615 -22.253   6.691
  927    HZ2  LYS  53           1HZ      LYS  53   7.587 -21.412   5.221
  928    HZ3  LYS  53           2HZ      LYS  53   7.353 -20.580   6.679
  929    H    GLN  54           H        GLN  54  11.945 -18.266   2.426
  930    HA   GLN  54           HA       GLN  54  13.777 -19.497   1.947
  931    HB2  GLN  54           2HB      GLN  54  14.744 -18.553   4.648
  932    HB3  GLN  54           1HB      GLN  54  15.716 -19.495   3.526
  933    HG2  GLN  54           2HG      GLN  54  14.570 -16.758   3.012
  934    HG3  GLN  54           1HG      GLN  54  16.248 -17.129   3.403
  935   HE21  GLN  54          1HE2      GLN  54  15.119 -15.809   1.070
  936   HE22  GLN  54          2HE2      GLN  54  15.638 -16.737  -0.299
  937    H    LYS  55           H        LYS  55  13.816 -21.611   1.832
  938    HA   LYS  55           HA       LYS  55  12.707 -23.221   3.960
  939    HB2  LYS  55           2HB      LYS  55  13.893 -24.023   1.292
  940    HB3  LYS  55           1HB      LYS  55  13.099 -25.119   2.413
  941    HG2  LYS  55           2HG      LYS  55  11.024 -23.824   2.177
  942    HG3  LYS  55           1HG      LYS  55  11.831 -22.786   1.001
  943    HD2  LYS  55           2HD      LYS  55  10.522 -24.444  -0.165
  944    HD3  LYS  55           1HD      LYS  55  12.236 -24.770  -0.419
  945    HE2  LYS  55           2HE      LYS  55  10.986 -26.827   0.013
  946    HE3  LYS  55           1HE      LYS  55  12.171 -26.515   1.281
  947    HZ1  LYS  55           3HZ      LYS  55  10.487 -25.808   2.747
  948    HZ2  LYS  55           1HZ      LYS  55   9.918 -27.245   2.057
  949    HZ3  LYS  55           2HZ      LYS  55   9.315 -25.752   1.524
  950    H    LYS  56           H        LYS  56  14.185 -22.880   5.606
  951    HA   LYS  56           HA       LYS  56  15.945 -23.315   6.942
  952    HB2  LYS  56           2HB      LYS  56  15.571 -25.652   6.361
  953    HB3  LYS  56           1HB      LYS  56  16.561 -25.473   4.918
  954    HG2  LYS  56           2HG      LYS  56  18.529 -25.130   6.228
  955    HG3  LYS  56           1HG      LYS  56  17.588 -25.069   7.719
  956    HD2  LYS  56           2HD      LYS  56  16.965 -27.402   7.447
  957    HD3  LYS  56           1HD      LYS  56  17.820 -27.469   5.904
  958    HE2  LYS  56           2HE      LYS  56  19.103 -28.444   7.790
  959    HE3  LYS  56           1HE      LYS  56  19.930 -27.109   6.989
  960    HZ1  LYS  56           3HZ      LYS  56  18.409 -26.915   9.538
  961    HZ2  LYS  56           1HZ      LYS  56  19.221 -25.642   8.769
  962    HZ3  LYS  56           2HZ      LYS  56  20.096 -26.949   9.399
  Start of MODEL   12
    1    H1   GLY   2           1HT      GLY   2 -16.634   1.538 -11.204
    2    H2   GLY   2           2HT      GLY   2 -16.387   2.311 -12.694
    3    H3   GLY   2           3HT      GLY   2 -17.587   1.124 -12.543
    4    HA2  GLY   2           1HA      GLY   2 -18.504   3.382 -12.576
    5    HA3  GLY   2           2HA      GLY   2 -18.887   2.488 -11.112
    6    H    ARG   3           H        ARG   3 -19.224   4.969 -10.668
    7    HA   ARG   3           HA       ARG   3 -16.723   6.121  -9.658
    8    HB2  ARG   3           2HB      ARG   3 -19.484   7.330  -9.919
    9    HB3  ARG   3           1HB      ARG   3 -18.070   8.169  -9.302
   10    HG2  ARG   3           2HG      ARG   3 -18.319   7.042 -12.079
   11    HG3  ARG   3           1HG      ARG   3 -18.601   8.726 -11.639
   12    HD2  ARG   3           2HD      ARG   3 -16.289   8.892 -10.843
   13    HD3  ARG   3           1HD      ARG   3 -16.012   7.215 -11.315
   14    HE   ARG   3           HE       ARG   3 -16.962   8.512 -13.559
   15   HH11  ARG   3          1HH1      ARG   3 -14.154   8.793 -11.464
   16   HH12  ARG   3          2HH1      ARG   3 -13.124   9.374 -12.743
   17   HH21  ARG   3          1HH2      ARG   3 -15.628   9.281 -15.202
   18   HH22  ARG   3          2HH2      ARG   3 -13.966   9.673 -14.861
   19    HA   PRO   4           HA       PRO   4 -17.696   4.915  -5.453
   20    HB2  PRO   4           2HB      PRO   4 -16.213   7.423  -4.864
   21    HB3  PRO   4           1HB      PRO   4 -15.953   5.791  -4.240
   22    HG2  PRO   4           2HG      PRO   4 -14.298   6.823  -6.051
   23    HG3  PRO   4           1HG      PRO   4 -14.774   5.115  -6.122
   24    HD2  PRO   4           2HD      PRO   4 -15.730   7.421  -7.766
   25    HD3  PRO   4           1HD      PRO   4 -15.399   5.746  -8.256
   26    H    TYR   5           H        TYR   5 -18.622   6.095  -3.505
   27    HA   TYR   5           HA       TYR   5 -21.037   7.247  -4.524
   28    HB2  TYR   5           2HB      TYR   5 -20.235   6.776  -1.647
   29    HB3  TYR   5           1HB      TYR   5 -21.870   7.025  -2.258
   30    HD1  TYR   5           2HD      TYR   5 -23.008   5.250  -3.524
   31    HD2  TYR   5           1HD      TYR   5 -19.122   4.651  -1.901
   32    HE1  TYR   5           2HE      TYR   5 -23.238   2.825  -3.868
   33    HE2  TYR   5           1HE      TYR   5 -19.340   2.232  -2.248
   34    HH   TYR   5           HH       TYR   5 -21.147   0.565  -2.451
   35    H    LYS   6           H        LYS   6 -18.294   8.402  -2.668
   36    HA   LYS   6           HA       LYS   6 -19.404  11.106  -2.789
   37    HB2  LYS   6           2HB      LYS   6 -17.298  11.680  -1.470
   38    HB3  LYS   6           1HB      LYS   6 -18.537  10.748  -0.649
   39    HG2  LYS   6           2HG      LYS   6 -17.268   8.741  -0.849
   40    HG3  LYS   6           1HG      LYS   6 -16.108   9.519  -1.930
   41    HD2  LYS   6           2HD      LYS   6 -15.190  10.814  -0.214
   42    HD3  LYS   6           1HD      LYS   6 -16.582  10.564   0.840
   43    HE2  LYS   6           2HE      LYS   6 -14.693   8.371   0.006
   44    HE3  LYS   6           1HE      LYS   6 -14.510   9.306   1.490
   45    HZ1  LYS   6           3HZ      LYS   6 -16.849   8.563   2.028
   46    HZ2  LYS   6           1HZ      LYS   6 -15.654   7.359   2.085
   47    HZ3  LYS   6           2HZ      LYS   6 -16.706   7.454   0.756
   48    H    LEU   7           H        LEU   7 -18.269   9.397  -5.003
   49    HA   LEU   7           HA       LEU   7 -17.253   9.729  -6.989
   50    HB2  LEU   7           2HB      LEU   7 -16.926  12.550  -5.994
   51    HB3  LEU   7           1HB      LEU   7 -16.518  12.024  -7.616
   52    HG   LEU   7           HG       LEU   7 -19.275  11.972  -6.382
   53   HD11  LEU   7          1HD1      LEU   7 -18.499  14.219  -6.899
   54   HD12  LEU   7          2HD1      LEU   7 -19.773  13.722  -8.011
   55   HD13  LEU   7          3HD1      LEU   7 -18.090  13.714  -8.538
   56   HD21  LEU   7          3HD2      LEU   7 -18.338  11.222  -9.153
   57   HD22  LEU   7          1HD2      LEU   7 -20.023  11.371  -8.650
   58   HD23  LEU   7          2HD2      LEU   7 -18.997  10.130  -7.933
   59    H    LEU   8           H        LEU   8 -15.490  10.720  -4.149
   60    HA   LEU   8           HA       LEU   8 -12.926  10.457  -5.471
   61    HB2  LEU   8           2HB      LEU   8 -13.318  12.138  -3.690
   62    HB3  LEU   8           1HB      LEU   8 -13.584  10.836  -2.547
   63    HG   LEU   8           HG       LEU   8 -11.254  10.091  -2.860
   64   HD11  LEU   8          1HD1      LEU   8  -9.686  11.566  -4.055
   65   HD12  LEU   8          2HD1      LEU   8 -11.052  12.523  -4.632
   66   HD13  LEU   8          3HD1      LEU   8 -10.880  10.838  -5.130
   67   HD21  LEU   8          3HD2      LEU   8 -10.196  11.967  -1.700
   68   HD22  LEU   8          1HD2      LEU   8 -11.809  11.643  -1.062
   69   HD23  LEU   8          2HD2      LEU   8 -11.549  13.007  -2.148
   70    H    ASN   9           H        ASN   9 -11.661   8.693  -5.441
   71    HA   ASN   9           HA       ASN   9 -12.949   6.234  -4.655
   72    HB2  ASN   9           2HB      ASN   9 -11.927   6.308  -6.835
   73    HB3  ASN   9           1HB      ASN   9 -10.382   6.794  -6.150
   74   HD21  ASN   9          1HD2      ASN   9 -12.615   4.163  -6.611
   75   HD22  ASN   9          2HD2      ASN   9 -11.517   2.896  -6.199
   76    H    GLY  10           H        GLY  10 -10.485   8.275  -3.329
   77    HA2  GLY  10           2HA      GLY  10  -9.935   6.299  -1.285
   78    HA3  GLY  10           1HA      GLY  10  -8.587   6.637  -2.356
   79    H    ILE  11           H        ILE  11  -8.229   7.028   0.232
   80    HA   ILE  11           HA       ILE  11  -8.680   9.893   0.799
   81    HB   ILE  11           HB       ILE  11  -8.152   7.694   2.809
   82   HG12  ILE  11          2HG1      ILE  11 -10.273   7.251   1.664
   83   HG13  ILE  11          1HG1      ILE  11 -10.545   7.740   3.334
   84   HG21  ILE  11          1HG2      ILE  11  -9.133  10.521   3.139
   85   HG22  ILE  11          2HG2      ILE  11  -7.574   9.872   3.649
   86   HG23  ILE  11          3HG2      ILE  11  -9.054   9.321   4.430
   87   HD11  ILE  11          3HD1      ILE  11 -11.109   9.996   2.578
   88   HD12  ILE  11          1HD1      ILE  11 -12.160   8.777   1.855
   89   HD13  ILE  11          2HD1      ILE  11 -10.855   9.493   0.907
   90    H    LYS  12           H        LYS  12  -6.919  10.945   2.050
   91    HA   LYS  12           HA       LYS  12  -4.343  10.064   0.971
   92    HB2  LYS  12           2HB      LYS  12  -5.070  12.313   0.338
   93    HB3  LYS  12           1HB      LYS  12  -5.225  12.756   2.033
   94    HG2  LYS  12           2HG      LYS  12  -3.186  13.664   1.095
   95    HG3  LYS  12           1HG      LYS  12  -2.816  12.463   2.332
   96    HD2  LYS  12           2HD      LYS  12  -2.396  10.792   0.593
   97    HD3  LYS  12           1HD      LYS  12  -2.785  11.981  -0.651
   98    HE2  LYS  12           2HE      LYS  12  -0.522  12.186   1.336
   99    HE3  LYS  12           1HE      LYS  12  -0.362  11.716  -0.356
  100    HZ1  LYS  12           3HZ      LYS  12  -1.348  14.345   0.620
  101    HZ2  LYS  12           1HZ      LYS  12  -1.186  13.891  -1.006
  102    HZ3  LYS  12           2HZ      LYS  12   0.190  14.042  -0.026
  103    H    LEU  13           H        LEU  13  -2.895   9.214   2.246
  104    HA   LEU  13           HA       LEU  13  -2.888   9.915   5.092
  105    HB2  LEU  13           2HB      LEU  13  -2.250   7.530   5.552
  106    HB3  LEU  13           1HB      LEU  13  -3.906   7.788   5.045
  107    HG   LEU  13           HG       LEU  13  -1.855   7.006   3.005
  108   HD11  LEU  13          1HD1      LEU  13  -2.326   4.654   3.433
  109   HD12  LEU  13          2HD1      LEU  13  -3.314   5.092   4.825
  110   HD13  LEU  13          3HD1      LEU  13  -1.580   5.407   4.840
  111   HD21  LEU  13          3HD2      LEU  13  -4.079   7.679   2.245
  112   HD22  LEU  13          1HD2      LEU  13  -4.813   6.478   3.313
  113   HD23  LEU  13          2HD2      LEU  13  -3.812   5.957   1.958
  114    H    GLY  14           H        GLY  14  -0.939  10.224   6.004
  115    HA2  GLY  14           2HA      GLY  14   1.395   9.975   4.239
  116    HA3  GLY  14           1HA      GLY  14   1.270  11.045   5.629
  117    H    VAL  15           H        VAL  15   2.617   8.238   4.539
  118    HA   VAL  15           HA       VAL  15   2.621   6.997   7.208
  119    HB   VAL  15           HB       VAL  15   3.487   5.739   4.588
  120   HG11  VAL  15          1HG1      VAL  15   4.557   4.771   6.556
  121   HG12  VAL  15          2HG1      VAL  15   3.420   3.646   5.815
  122   HG13  VAL  15          3HG1      VAL  15   2.973   4.508   7.285
  123   HG21  VAL  15          3HG2      VAL  15   0.905   5.411   6.103
  124   HG22  VAL  15          1HG2      VAL  15   1.390   4.488   4.681
  125   HG23  VAL  15          2HG2      VAL  15   1.102   6.224   4.550
  126    H    TYR  16           H        TYR  16   4.443   6.898   8.380
  127    HA   TYR  16           HA       TYR  16   6.941   7.821   7.138
  128    HB2  TYR  16           2HB      TYR  16   5.760   8.164   9.817
  129    HB3  TYR  16           1HB      TYR  16   7.486   7.804   9.805
  130    HD1  TYR  16           2HD      TYR  16   8.394   9.160   7.406
  131    HD2  TYR  16           1HD      TYR  16   5.584  10.433  10.329
  132    HE1  TYR  16           2HE      TYR  16   8.898  11.487   6.852
  133    HE2  TYR  16           1HE      TYR  16   6.079  12.782   9.788
  134    HH   TYR  16           HH       TYR  16   7.983  14.074   8.818
  135    H    ILE  17           H        ILE  17   8.401   6.324   6.671
  136    HA   ILE  17           HA       ILE  17   8.664   4.037   8.482
  137    HB   ILE  17           HB       ILE  17   8.576   2.395   6.874
  138   HG12  ILE  17          2HG1      ILE  17   8.894   4.425   4.656
  139   HG13  ILE  17          1HG1      ILE  17  10.219   3.482   5.338
  140   HG21  ILE  17          1HG2      ILE  17   6.365   3.372   7.114
  141   HG22  ILE  17          2HG2      ILE  17   6.601   2.736   5.486
  142   HG23  ILE  17          3HG2      ILE  17   6.694   4.473   5.777
  143   HD11  ILE  17          3HD1      ILE  17   8.970   1.418   4.690
  144   HD12  ILE  17          1HD1      ILE  17   9.519   2.413   3.335
  145   HD13  ILE  17          2HD1      ILE  17   7.828   2.459   3.835
  146    HA   PRO  18           HA       PRO  18  12.972   4.809   8.597
  147    HB2  PRO  18           2HB      PRO  18  13.315   1.912   7.979
  148    HB3  PRO  18           1HB      PRO  18  13.999   2.870   9.298
  149    HG2  PRO  18           2HG      PRO  18  11.977   1.214   9.756
  150    HG3  PRO  18           1HG      PRO  18  12.039   2.805  10.537
  151    HD2  PRO  18           2HD      PRO  18  10.366   1.885   8.243
  152    HD3  PRO  18           1HD      PRO  18   9.964   3.009   9.558
  153    H    GLN  19           H        GLN  19  14.654   5.271   7.273
  154    HA   GLN  19           HA       GLN  19  14.196   5.262   4.474
  155    HB2  GLN  19           2HB      GLN  19  16.185   6.480   4.273
  156    HB3  GLN  19           1HB      GLN  19  15.587   6.925   5.865
  157    HG2  GLN  19           2HG      GLN  19  17.421   6.173   6.843
  158    HG3  GLN  19           1HG      GLN  19  17.285   4.611   6.028
  159   HE21  GLN  19          1HE2      GLN  19  18.250   4.372   3.957
  160   HE22  GLN  19          2HE2      GLN  19  19.563   5.392   3.476
  161    H    GLU  20           H        GLU  20  15.862   3.134   6.642
  162    HA   GLU  20           HA       GLU  20  17.430   1.621   4.933
  163    HB2  GLU  20           2HB      GLU  20  15.746   0.732   7.287
  164    HB3  GLU  20           1HB      GLU  20  17.009  -0.238   6.540
  165    HG2  GLU  20           2HG      GLU  20  18.701   1.086   7.361
  166    HG3  GLU  20           1HG      GLU  20  17.656   2.492   7.543
  167    H    TRP  21           H        TRP  21  13.972   1.584   5.488
  168    HA   TRP  21           HA       TRP  21  13.463  -0.671   3.791
  169    HB2  TRP  21           2HB      TRP  21  11.681   1.457   4.974
  170    HB3  TRP  21           1HB      TRP  21  11.077   0.172   3.939
  171    HD1  TRP  21           HD       TRP  21  13.621  -1.353   6.127
  172    HE1  TRP  21           1HE      TRP  21  12.475  -2.512   8.132
  173    HE3  TRP  21           3HE      TRP  21   8.993   0.678   5.659
  174    HZ2  TRP  21           2HZ      TRP  21   9.901  -2.536   9.346
  175    HZ3  TRP  21           3HZ      TRP  21   7.243   0.056   7.253
  176    HH2  TRP  21           HH       TRP  21   7.680  -1.507   9.040
  177    H    HIS  22           H        HIS  22  13.453   2.838   3.529
  178    HA   HIS  22           HA       HIS  22  12.248   3.033   1.010
  179    HB2  HIS  22           2HB      HIS  22  14.124   4.803   2.529
  180    HB3  HIS  22           1HB      HIS  22  13.747   5.175   0.847
  181    HD1  HIS  22           1HD      HIS  22  11.665   6.464   0.437
  182    HD2  HIS  22           2HD      HIS  22  11.718   4.703   4.210
  183    HE1  HIS  22           1HE      HIS  22   9.595   7.293   1.605
  184    HE2  HIS  22           2HE      HIS  22   9.718   6.322   3.930
  185    H    ASP  23           H        ASP  23  15.668   2.688   1.889
  186    HA   ASP  23           HA       ASP  23  16.760   2.713  -0.668
  187    HB2  ASP  23           2HB      ASP  23  18.120   2.750   1.359
  188    HB3  ASP  23           1HB      ASP  23  17.620   1.110   1.752
  189    H    ARG  24           H        ARG  24  15.629  -0.114   1.211
  190    HA   ARG  24           HA       ARG  24  16.282  -1.971  -0.861
  191    HB2  ARG  24           2HB      ARG  24  14.765  -2.134   1.719
  192    HB3  ARG  24           1HB      ARG  24  14.682  -3.469   0.580
  193    HG2  ARG  24           2HG      ARG  24  16.366  -3.793   2.351
  194    HG3  ARG  24           1HG      ARG  24  17.054  -3.815   0.729
  195    HD2  ARG  24           2HD      ARG  24  18.024  -1.708   0.990
  196    HD3  ARG  24           1HD      ARG  24  17.022  -1.310   2.385
  197    HE   ARG  24           HE       ARG  24  18.408  -3.428   3.287
  198   HH11  ARG  24          1HH1      ARG  24  19.534  -0.554   1.584
  199   HH12  ARG  24          2HH1      ARG  24  21.028  -0.486   2.469
  200   HH21  ARG  24          1HH2      ARG  24  20.377  -3.319   4.415
  201   HH22  ARG  24          2HH2      ARG  24  21.509  -2.049   4.055
  202    H    LEU  25           H        LEU  25  13.251  -0.523   0.239
  203    HA   LEU  25           HA       LEU  25  11.599  -1.985  -1.524
  204    HB2  LEU  25           2HB      LEU  25  11.147   0.573  -0.006
  205    HB3  LEU  25           1HB      LEU  25   9.910  -0.178  -0.998
  206    HG   LEU  25           HG       LEU  25  11.229  -1.438   1.406
  207   HD11  LEU  25          1HD1      LEU  25   9.044  -1.142   2.463
  208   HD12  LEU  25          2HD1      LEU  25   8.472  -0.286   1.030
  209   HD13  LEU  25          3HD1      LEU  25   9.766   0.402   2.011
  210   HD21  LEU  25          3HD2      LEU  25   9.516  -3.173   1.154
  211   HD22  LEU  25          1HD2      LEU  25  10.577  -3.100  -0.254
  212   HD23  LEU  25          2HD2      LEU  25   8.960  -2.404  -0.332
  213    H    MET  26           H        MET  26  13.182   1.186  -1.795
  214    HA   MET  26           HA       MET  26  11.876   1.938  -4.180
  215    HB2  MET  26           2HB      MET  26  14.401   2.812  -2.855
  216    HB3  MET  26           1HB      MET  26  14.085   3.322  -4.509
  217    HG2  MET  26           2HG      MET  26  12.304   3.818  -2.133
  218    HG3  MET  26           1HG      MET  26  13.379   4.995  -2.887
  219    HE1  MET  26           3HE      MET  26  13.049   4.381  -5.963
  220    HE2  MET  26           1HE      MET  26  12.997   6.021  -5.313
  221    HE3  MET  26           2HE      MET  26  11.732   5.467  -6.410
  222    H    GLU  27           H        GLU  27  14.696  -0.083  -3.598
  223    HA   GLU  27           HA       GLU  27  15.477  -0.246  -6.313
  224    HB2  GLU  27           2HB      GLU  27  16.449  -1.254  -3.947
  225    HB3  GLU  27           1HB      GLU  27  15.860  -2.703  -4.756
  226    HG2  GLU  27           2HG      GLU  27  18.251  -2.166  -5.194
  227    HG3  GLU  27           1HG      GLU  27  17.253  -2.306  -6.647
  228    H    ILE  28           H        ILE  28  13.284  -2.173  -4.336
  229    HA   ILE  28           HA       ILE  28  12.432  -3.961  -6.359
  230    HB   ILE  28           HB       ILE  28  10.917  -2.968  -3.932
  231   HG12  ILE  28          2HG1      ILE  28  12.622  -5.444  -4.281
  232   HG13  ILE  28          1HG1      ILE  28  13.117  -3.995  -3.414
  233   HG21  ILE  28          1HG2      ILE  28   9.444  -4.018  -5.568
  234   HG22  ILE  28          2HG2      ILE  28   9.611  -5.022  -4.128
  235   HG23  ILE  28          3HG2      ILE  28  10.484  -5.442  -5.603
  236   HD11  ILE  28          3HD1      ILE  28  10.843  -5.822  -2.675
  237   HD12  ILE  28          1HD1      ILE  28  11.292  -4.348  -1.819
  238   HD13  ILE  28          2HD1      ILE  28  12.408  -5.712  -1.871
  239    H    ALA  29           H        ALA  29  11.437  -0.770  -5.373
  240    HA   ALA  29           HA       ALA  29   9.045  -0.522  -6.808
  241    HB1  ALA  29           1HB      ALA  29   9.311   1.872  -6.467
  242    HB2  ALA  29           2HB      ALA  29  11.000   1.634  -6.022
  243    HB3  ALA  29           3HB      ALA  29   9.721   0.984  -5.000
  244    H    LYS  30           H        LYS  30  12.386  -0.186  -7.811
  245    HA   LYS  30           HA       LYS  30  11.707   1.079 -10.308
  246    HB2  LYS  30           2HB      LYS  30  14.282  -0.311  -9.533
  247    HB3  LYS  30           1HB      LYS  30  14.049   0.744 -10.921
  248    HG2  LYS  30           2HG      LYS  30  13.543   2.599  -9.331
  249    HG3  LYS  30           1HG      LYS  30  13.995   1.516  -8.012
  250    HD2  LYS  30           2HD      LYS  30  16.208   1.203  -9.188
  251    HD3  LYS  30           1HD      LYS  30  15.733   2.519 -10.261
  252    HE2  LYS  30           2HE      LYS  30  17.094   3.453  -8.544
  253    HE3  LYS  30           1HE      LYS  30  15.431   3.949  -8.226
  254    HZ1  LYS  30           3HZ      LYS  30  16.843   1.695  -6.897
  255    HZ2  LYS  30           1HZ      LYS  30  15.259   2.205  -6.573
  256    HZ3  LYS  30           2HZ      LYS  30  16.561   3.223  -6.209
  257    H    GLU  31           H        GLU  31  12.284  -2.151  -9.125
  258    HA   GLU  31           HA       GLU  31  12.376  -3.470 -11.612
  259    HB2  GLU  31           2HB      GLU  31  13.029  -4.513  -9.463
  260    HB3  GLU  31           1HB      GLU  31  11.337  -4.545  -8.985
  261    HG2  GLU  31           2HG      GLU  31  10.854  -5.985 -10.937
  262    HG3  GLU  31           1HG      GLU  31  12.578  -6.019 -11.299
  263    H    LYS  32           H        LYS  32   9.636  -2.589  -9.517
  264    HA   LYS  32           HA       LYS  32   7.789  -3.837 -11.408
  265    HB2  LYS  32           2HB      LYS  32   7.432  -2.730  -8.638
  266    HB3  LYS  32           1HB      LYS  32   6.058  -3.122  -9.656
  267    HG2  LYS  32           2HG      LYS  32   6.306  -5.013  -8.353
  268    HG3  LYS  32           1HG      LYS  32   7.138  -5.452  -9.843
  269    HD2  LYS  32           2HD      LYS  32   9.274  -5.074  -8.857
  270    HD3  LYS  32           1HD      LYS  32   8.550  -4.339  -7.426
  271    HE2  LYS  32           2HE      LYS  32   9.218  -6.560  -6.852
  272    HE3  LYS  32           1HE      LYS  32   7.458  -6.535  -6.946
  273    HZ1  LYS  32           3HZ      LYS  32   7.717  -7.409  -9.265
  274    HZ2  LYS  32           1HZ      LYS  32   8.190  -8.477  -8.033
  275    HZ3  LYS  32           2HZ      LYS  32   9.367  -7.640  -8.925
  276    H    ASN  33           H        ASN  33   9.161  -0.857 -11.026
  277    HA   ASN  33           HA       ASN  33   8.712   1.268 -11.679
  278    HB2  ASN  33           2HB      ASN  33   8.210   0.096 -13.854
  279    HB3  ASN  33           1HB      ASN  33   6.512   0.089 -13.390
  280   HD21  ASN  33          1HD2      ASN  33   9.231   2.081 -14.273
  281   HD22  ASN  33          2HD2      ASN  33   8.320   3.491 -14.700
  282    H    LEU  34           H        LEU  34   7.889   0.964  -9.332
  283    HA   LEU  34           HA       LEU  34   5.256   2.236  -9.164
  284    HB2  LEU  34           2HB      LEU  34   6.166  -0.184  -7.612
  285    HB3  LEU  34           1HB      LEU  34   4.859   0.852  -7.065
  286    HG   LEU  34           HG       LEU  34   4.875  -0.661  -9.667
  287   HD11  LEU  34          1HD1      LEU  34   4.773  -2.195  -7.796
  288   HD12  LEU  34          2HD1      LEU  34   3.201  -2.103  -8.591
  289   HD13  LEU  34          3HD1      LEU  34   3.472  -1.254  -7.069
  290   HD21  LEU  34          3HD2      LEU  34   2.709   0.906  -8.278
  291   HD22  LEU  34          1HD2      LEU  34   2.497  -0.063  -9.737
  292   HD23  LEU  34          2HD2      LEU  34   3.538   1.360  -9.769
  293    H    THR  35           H        THR  35   4.935   3.233  -6.995
  294    HA   THR  35           HA       THR  35   7.480   4.063  -5.792
  295    HB   THR  35           HB       THR  35   6.033   5.770  -4.613
  296    HG1  THR  35           1HG      THR  35   3.947   5.499  -4.785
  297   HG21  THR  35          3HG2      THR  35   7.305   6.390  -6.595
  298   HG22  THR  35          1HG2      THR  35   5.744   7.211  -6.593
  299   HG23  THR  35          2HG2      THR  35   6.003   5.810  -7.634
  300    H    LEU  36           H        LEU  36   7.817   3.745  -3.567
  301    HA   LEU  36           HA       LEU  36   6.858   1.322  -2.568
  302    HB2  LEU  36           2HB      LEU  36   7.896   2.199  -0.363
  303    HB3  LEU  36           1HB      LEU  36   8.919   1.838  -1.735
  304    HG   LEU  36           HG       LEU  36   8.881   4.309  -2.279
  305   HD11  LEU  36          1HD1      LEU  36   7.754   4.506   0.512
  306   HD12  LEU  36          2HD1      LEU  36   6.902   4.923  -0.973
  307   HD13  LEU  36          3HD1      LEU  36   8.318   5.850  -0.479
  308   HD21  LEU  36          3HD2      LEU  36  10.062   3.428   0.348
  309   HD22  LEU  36          1HD2      LEU  36  10.563   4.840  -0.583
  310   HD23  LEU  36          2HD2      LEU  36  10.788   3.220  -1.244
  311    H    SER  37           H        SER  37   5.470   4.446  -2.327
  312    HA   SER  37           HA       SER  37   3.767   4.042  -0.131
  313    HB2  SER  37           2HB      SER  37   2.292   5.712  -1.411
  314    HB3  SER  37           1HB      SER  37   3.921   6.245  -0.993
  315    HG   SER  37           HG       SER  37   2.927   6.374  -3.324
  316    H    ASP  38           H        ASP  38   3.311   3.386  -3.605
  317    HA   ASP  38           HA       ASP  38   0.731   2.239  -3.337
  318    HB2  ASP  38           2HB      ASP  38   1.801   3.113  -5.487
  319    HB3  ASP  38           1HB      ASP  38   2.707   1.600  -5.544
  320    H    VAL  39           H        VAL  39   3.988   0.940  -3.376
  321    HA   VAL  39           HA       VAL  39   3.300  -1.796  -3.337
  322    HB   VAL  39           HB       VAL  39   5.785  -0.496  -2.204
  323   HG11  VAL  39          1HG1      VAL  39   6.845  -2.671  -2.624
  324   HG12  VAL  39          2HG1      VAL  39   5.286  -3.325  -3.124
  325   HG13  VAL  39          3HG1      VAL  39   5.527  -2.798  -1.459
  326   HG21  VAL  39          3HG2      VAL  39   5.226  -1.536  -4.979
  327   HG22  VAL  39          1HG2      VAL  39   6.796  -0.990  -4.391
  328   HG23  VAL  39          2HG2      VAL  39   5.457   0.152  -4.518
  329    H    CYS  40           H        CYS  40   3.549   0.626  -0.823
  330    HA   CYS  40           HA       CYS  40   3.617  -1.190   1.362
  331    HB2  CYS  40           2HB      CYS  40   4.250   1.346   1.286
  332    HB3  CYS  40           1HB      CYS  40   2.540   1.614   1.579
  333    HG   CYS  40           HG       CYS  40   3.275  -0.489   3.822
  334    H    ARG  41           H        ARG  41   0.907   0.758   0.012
  335    HA   ARG  41           HA       ARG  41  -1.065  -0.522   1.503
  336    HB2  ARG  41           2HB      ARG  41  -2.663   0.357  -0.105
  337    HB3  ARG  41           1HB      ARG  41  -1.465   1.571   0.302
  338    HG2  ARG  41           2HG      ARG  41  -1.605   1.880  -1.942
  339    HG3  ARG  41           1HG      ARG  41  -0.308   0.685  -1.885
  340    HD2  ARG  41           2HD      ARG  41  -1.927  -1.095  -2.324
  341    HD3  ARG  41           1HD      ARG  41  -3.230   0.096  -2.362
  342    HE   ARG  41           HE       ARG  41  -1.141   0.690  -4.228
  343   HH11  ARG  41          1HH1      ARG  41  -4.030  -1.238  -3.758
  344   HH12  ARG  41          2HH1      ARG  41  -4.345  -1.411  -5.455
  345   HH21  ARG  41          1HH2      ARG  41  -1.541   0.487  -6.433
  346   HH22  ARG  41          2HH2      ARG  41  -2.944  -0.389  -6.991
  347    H    LEU  42           H        LEU  42   0.498  -1.481  -1.536
  348    HA   LEU  42           HA       LEU  42  -1.183  -3.695  -2.081
  349    HB2  LEU  42           2HB      LEU  42   1.717  -3.171  -2.730
  350    HB3  LEU  42           1HB      LEU  42   0.871  -4.609  -3.268
  351    HG   LEU  42           HG       LEU  42   0.105  -1.779  -3.986
  352   HD11  LEU  42          1HD1      LEU  42   2.217  -2.408  -5.006
  353   HD12  LEU  42          2HD1      LEU  42   0.940  -2.376  -6.224
  354   HD13  LEU  42          3HD1      LEU  42   1.513  -3.918  -5.584
  355   HD21  LEU  42          3HD2      LEU  42  -1.795  -3.318  -3.933
  356   HD22  LEU  42          1HD2      LEU  42  -0.927  -4.433  -4.987
  357   HD23  LEU  42          2HD2      LEU  42  -1.404  -2.845  -5.586
  358    H    ALA  43           H        ALA  43   1.432  -3.151   0.111
  359    HA   ALA  43           HA       ALA  43   1.874  -5.848   0.818
  360    HB1  ALA  43           1HB      ALA  43   3.551  -4.146   1.196
  361    HB2  ALA  43           2HB      ALA  43   3.118  -4.949   2.705
  362    HB3  ALA  43           3HB      ALA  43   2.487  -3.341   2.348
  363    H    ILE  44           H        ILE  44  -0.356  -3.371   1.878
  364    HA   ILE  44           HA       ILE  44  -1.231  -4.664   4.258
  365    HB   ILE  44           HB       ILE  44  -2.758  -2.728   2.497
  366   HG12  ILE  44          2HG1      ILE  44  -1.003  -2.284   4.920
  367   HG13  ILE  44          1HG1      ILE  44  -0.726  -1.695   3.282
  368   HG21  ILE  44          1HG2      ILE  44  -4.235  -3.996   3.957
  369   HG22  ILE  44          2HG2      ILE  44  -4.129  -2.316   4.488
  370   HG23  ILE  44          3HG2      ILE  44  -3.243  -3.572   5.352
  371   HD11  ILE  44          3HD1      ILE  44  -2.994  -0.848   5.076
  372   HD12  ILE  44          1HD1      ILE  44  -2.658  -0.239   3.459
  373   HD13  ILE  44          2HD1      ILE  44  -1.521   0.074   4.768
  374    H    LYS  45           H        LYS  45  -2.301  -4.628   0.919
  375    HA   LYS  45           HA       LYS  45  -4.491  -6.326   1.131
  376    HB2  LYS  45           2HB      LYS  45  -4.098  -5.089  -0.883
  377    HB3  LYS  45           1HB      LYS  45  -2.539  -5.857  -1.120
  378    HG2  LYS  45           2HG      LYS  45  -3.547  -7.923  -1.708
  379    HG3  LYS  45           1HG      LYS  45  -5.140  -7.363  -1.190
  380    HD2  LYS  45           2HD      LYS  45  -5.297  -5.842  -2.998
  381    HD3  LYS  45           1HD      LYS  45  -3.585  -6.022  -3.391
  382    HE2  LYS  45           2HE      LYS  45  -5.504  -8.327  -3.524
  383    HE3  LYS  45           1HE      LYS  45  -5.273  -7.226  -4.882
  384    HZ1  LYS  45           3HZ      LYS  45  -3.886  -9.303  -4.884
  385    HZ2  LYS  45           1HZ      LYS  45  -3.018  -8.652  -3.583
  386    HZ3  LYS  45           2HZ      LYS  45  -3.033  -7.852  -5.083
  387    H    GLU  46           H        GLU  46  -1.063  -7.011   0.823
  388    HA   GLU  46           HA       GLU  46  -1.307  -9.841   0.562
  389    HB2  GLU  46           2HB      GLU  46   0.693  -8.274  -0.014
  390    HB3  GLU  46           1HB      GLU  46   1.093  -8.413   1.692
  391    HG2  GLU  46           2HG      GLU  46   2.399 -10.034   0.676
  392    HG3  GLU  46           1HG      GLU  46   1.024 -10.940   1.309
  393    H    TYR  47           H        TYR  47  -0.916  -7.559   3.181
  394    HA   TYR  47           HA       TYR  47  -0.357  -9.364   5.252
  395    HB2  TYR  47           2HB      TYR  47   0.013  -6.895   5.329
  396    HB3  TYR  47           1HB      TYR  47  -1.726  -6.675   5.450
  397    HD1  TYR  47           1HD      TYR  47   1.275  -7.879   7.187
  398    HD2  TYR  47           2HD      TYR  47  -2.872  -7.017   7.543
  399    HE1  TYR  47           1HE      TYR  47   1.467  -8.018   9.632
  400    HE2  TYR  47           2HE      TYR  47  -2.696  -7.159   9.994
  401    HH   TYR  47           HH       TYR  47   0.331  -7.273  11.615
  402    H    LEU  48           H        LEU  48  -3.379  -7.967   4.067
  403    HA   LEU  48           HA       LEU  48  -5.071  -9.145   5.998
  404    HB2  LEU  48           2HB      LEU  48  -5.740  -8.295   3.176
  405    HB3  LEU  48           1HB      LEU  48  -6.898  -8.599   4.456
  406    HG   LEU  48           HG       LEU  48  -4.858  -6.374   4.407
  407   HD11  LEU  48          1HD1      LEU  48  -6.689  -6.043   2.833
  408   HD12  LEU  48          2HD1      LEU  48  -6.797  -4.914   4.183
  409   HD13  LEU  48          3HD1      LEU  48  -7.859  -6.320   4.123
  410   HD21  LEU  48          3HD2      LEU  48  -5.952  -5.576   6.433
  411   HD22  LEU  48          1HD2      LEU  48  -5.282  -7.188   6.679
  412   HD23  LEU  48          2HD2      LEU  48  -7.014  -6.983   6.428
  413    H    ASP  49           H        ASP  49  -4.256 -10.074   2.684
  414    HA   ASP  49           HA       ASP  49  -5.788 -12.406   2.534
  415    HB2  ASP  49           2HB      ASP  49  -4.843 -11.379   0.560
  416    HB3  ASP  49           1HB      ASP  49  -3.210 -11.637   1.160
  417    H    ASN  50           H        ASN  50  -2.694 -11.803   4.001
  418    HA   ASN  50           HA       ASN  50  -2.004 -14.588   4.293
  419    HB2  ASN  50           2HB      ASN  50  -0.324 -12.746   4.035
  420    HB3  ASN  50           1HB      ASN  50  -0.774 -12.167   5.631
  421   HD21  ASN  50          1HD2      ASN  50   1.767 -13.119   4.598
  422   HD22  ASN  50          2HD2      ASN  50   2.249 -14.433   5.615
  423    H    HIS  51           H        HIS  51  -3.278 -12.012   6.377
  424    HA   HIS  51           HA       HIS  51  -3.064 -13.750   8.697
  425    HB2  HIS  51           2HB      HIS  51  -3.678 -10.838   8.337
  426    HB3  HIS  51           1HB      HIS  51  -4.030 -11.643   9.863
  427    HD1  HIS  51           1HD      HIS  51  -2.208 -11.380  11.503
  428    HD2  HIS  51           2HD      HIS  51  -0.768 -11.451   7.598
  429    HE1  HIS  51           1HE      HIS  51   0.284 -11.091  11.688
  430    HE2  HIS  51           2HE      HIS  51   1.155 -11.280   9.328
  431    H    ASP  52           H        ASP  52  -5.570 -12.546   6.569
  432    HA   ASP  52           HA       ASP  52  -7.565 -13.834   8.302
  433    HB2  ASP  52           2HB      ASP  52  -7.928 -11.462   7.303
  434    HB3  ASP  52           1HB      ASP  52  -8.251 -12.317   5.795
  435    H    LYS  53           H        LYS  53  -8.473 -15.706   7.734
  436    HA   LYS  53           HA       LYS  53  -7.511 -16.897   5.233
  437    HB2  LYS  53           2HB      LYS  53  -8.359 -18.194   7.826
  438    HB3  LYS  53           1HB      LYS  53  -7.927 -19.086   6.372
  439    HG2  LYS  53           2HG      LYS  53  -5.684 -18.130   6.441
  440    HG3  LYS  53           1HG      LYS  53  -6.114 -17.213   7.884
  441    HD2  LYS  53           2HD      LYS  53  -6.193 -20.221   7.705
  442    HD3  LYS  53           1HD      LYS  53  -4.823 -19.304   8.330
  443    HE2  LYS  53           2HE      LYS  53  -6.325 -18.312  10.034
  444    HE3  LYS  53           1HE      LYS  53  -7.626 -19.345   9.444
  445    HZ1  LYS  53           3HZ      LYS  53  -6.518 -20.282  11.392
  446    HZ2  LYS  53           1HZ      LYS  53  -5.043 -20.315  10.555
  447    HZ3  LYS  53           2HZ      LYS  53  -6.336 -21.282  10.035
  448    H    GLN  54           H        GLN  54 -10.396 -16.662   7.303
  449    HA   GLN  54           HA       GLN  54 -12.098 -16.943   5.000
  450    HB2  GLN  54           2HB      GLN  54 -13.304 -18.934   5.953
  451    HB3  GLN  54           1HB      GLN  54 -11.693 -19.262   5.327
  452    HG2  GLN  54           2HG      GLN  54 -10.799 -19.225   7.597
  453    HG3  GLN  54           1HG      GLN  54 -12.411 -18.888   8.226
  454   HE21  GLN  54          1HE2      GLN  54 -10.346 -21.268   6.754
  455   HE22  GLN  54          2HE2      GLN  54 -11.346 -22.636   7.092
  456    H    LYS  55           H        LYS  55 -11.727 -14.924   7.095
  457    HA   LYS  55           HA       LYS  55 -14.185 -15.247   8.663
  458    HB2  LYS  55           2HB      LYS  55 -12.077 -13.094   8.900
  459    HB3  LYS  55           1HB      LYS  55 -13.430 -13.349   9.993
  460    HG2  LYS  55           2HG      LYS  55 -12.414 -15.701  10.328
  461    HG3  LYS  55           1HG      LYS  55 -10.956 -14.988   9.640
  462    HD2  LYS  55           2HD      LYS  55 -12.424 -14.110  12.123
  463    HD3  LYS  55           1HD      LYS  55 -10.826 -14.849  12.033
  464    HE2  LYS  55           2HE      LYS  55 -11.634 -12.118  11.043
  465    HE3  LYS  55           1HE      LYS  55 -10.580 -12.485  12.406
  466    HZ1  LYS  55           3HZ      LYS  55 -10.032 -12.859   9.520
  467    HZ2  LYS  55           1HZ      LYS  55  -9.082 -13.591  10.722
  468    HZ3  LYS  55           2HZ      LYS  55  -9.186 -11.899  10.629
  469    H    LYS  56           H        LYS  56 -15.879 -13.871   8.576
  470    HA   LYS  56           HA       LYS  56 -17.456 -12.588   7.603
  471    HB2  LYS  56           2HB      LYS  56 -15.112 -10.921   6.669
  472    HB3  LYS  56           1HB      LYS  56 -16.793 -10.406   6.708
  473    HG2  LYS  56           2HG      LYS  56 -16.771 -10.754   9.172
  474    HG3  LYS  56           1HG      LYS  56 -15.039 -11.063   9.061
  475    HD2  LYS  56           2HD      LYS  56 -14.775  -8.817   8.016
  476    HD3  LYS  56           1HD      LYS  56 -16.487  -8.522   8.333
  477    HE2  LYS  56           2HE      LYS  56 -16.046  -8.945  10.744
  478    HE3  LYS  56           1HE      LYS  56 -14.328  -9.056  10.367
  479    HZ1  LYS  56           3HZ      LYS  56 -14.560  -6.876  11.012
  480    HZ2  LYS  56           1HZ      LYS  56 -16.093  -6.703  10.306
  481    HZ3  LYS  56           2HZ      LYS  56 -14.713  -6.739   9.326
  482    H1   GLY   2           1HT      GLY   2  23.094   3.614  20.864
  483    H2   GLY   2           2HT      GLY   2  23.625   3.234  19.304
  484    H3   GLY   2           3HT      GLY   2  23.392   2.004  20.439
  485    HA2  GLY   2           1HA      GLY   2  21.571   2.035  18.865
  486    HA3  GLY   2           2HA      GLY   2  21.019   2.446  20.485
  487    H    ARG   3           H        ARG   3  22.645   4.311  17.932
  488    HA   ARG   3           HA       ARG   3  20.436   6.259  18.067
  489    HB2  ARG   3           2HB      ARG   3  23.406   6.735  17.743
  490    HB3  ARG   3           1HB      ARG   3  22.188   7.974  17.471
  491    HG2  ARG   3           2HG      ARG   3  22.566   6.511  20.071
  492    HG3  ARG   3           1HG      ARG   3  23.263   8.089  19.697
  493    HD2  ARG   3           2HD      ARG   3  21.073   9.048  19.436
  494    HD3  ARG   3           1HD      ARG   3  20.315   7.467  19.633
  495    HE   ARG   3           HE       ARG   3  21.713   7.761  21.928
  496   HH11  ARG   3          1HH1      ARG   3  19.423   9.873  20.295
  497   HH12  ARG   3          2HH1      ARG   3  18.810  10.534  21.773
  498   HH21  ARG   3          1HH2      ARG   3  20.903   8.641  23.846
  499   HH22  ARG   3          2HH2      ARG   3  19.648   9.847  23.788
  500    HA   PRO   4           HA       PRO   4  19.922   5.602  13.677
  501    HB2  PRO   4           2HB      PRO   4  19.200   8.492  13.746
  502    HB3  PRO   4           1HB      PRO   4  18.306   7.126  13.070
  503    HG2  PRO   4           2HG      PRO   4  17.537   8.240  15.356
  504    HG3  PRO   4           1HG      PRO   4  17.470   6.480  15.139
  505    HD2  PRO   4           2HD      PRO   4  19.455   8.131  16.649
  506    HD3  PRO   4           1HD      PRO   4  18.765   6.547  17.057
  507    H    TYR   5           H        TYR   5  21.075   6.096  11.808
  508    HA   TYR   5           HA       TYR   5  23.693   7.127  12.413
  509    HB2  TYR   5           2HB      TYR   5  22.608   5.917   9.866
  510    HB3  TYR   5           1HB      TYR   5  24.302   6.271  10.186
  511    HD1  TYR   5           2HD      TYR   5  25.500   5.007  11.973
  512    HD2  TYR   5           1HD      TYR   5  21.590   3.931  10.689
  513    HE1  TYR   5           2HE      TYR   5  25.782   2.788  12.992
  514    HE2  TYR   5           1HE      TYR   5  21.856   1.713  11.712
  515    HH   TYR   5           HH       TYR   5  24.285   0.988  13.912
  516    H    LYS   6           H        LYS   6  20.871   8.432  11.009
  517    HA   LYS   6           HA       LYS   6  22.373  10.806  10.291
  518    HB2  LYS   6           2HB      LYS   6  21.240  10.971   8.069
  519    HB3  LYS   6           1HB      LYS   6  22.429   9.685   8.191
  520    HG2  LYS   6           2HG      LYS   6  20.483   8.126   8.667
  521    HG3  LYS   6           1HG      LYS   6  19.438   9.452   8.148
  522    HD2  LYS   6           2HD      LYS   6  21.637   8.201   6.506
  523    HD3  LYS   6           1HD      LYS   6  19.912   7.890   6.315
  524    HE2  LYS   6           2HE      LYS   6  21.175  10.611   6.035
  525    HE3  LYS   6           1HE      LYS   6  20.892   9.518   4.682
  526    HZ1  LYS   6           3HZ      LYS   6  18.795  10.636   6.475
  527    HZ2  LYS   6           1HZ      LYS   6  18.523   9.581   5.171
  528    HZ3  LYS   6           2HZ      LYS   6  19.120  11.139   4.891
  529    H    LEU   7           H        LEU   7  20.873  10.608  12.422
  530    HA   LEU   7           HA       LEU   7  19.276  11.675  13.618
  531    HB2  LEU   7           2HB      LEU   7  18.756  13.186  11.062
  532    HB3  LEU   7           1HB      LEU   7  18.152  13.627  12.646
  533    HG   LEU   7           HG       LEU   7  21.065  13.553  11.857
  534   HD11  LEU   7          1HD1      LEU   7  19.841  15.324  10.715
  535   HD12  LEU   7          2HD1      LEU   7  20.927  15.990  11.934
  536   HD13  LEU   7          3HD1      LEU   7  19.196  15.885  12.257
  537   HD21  LEU   7          3HD2      LEU   7  19.697  14.495  14.377
  538   HD22  LEU   7          1HD2      LEU   7  21.403  14.735  13.994
  539   HD23  LEU   7          2HD2      LEU   7  20.770  13.104  14.219
  540    H    LEU   8           H        LEU   8  17.661  11.758  10.463
  541    HA   LEU   8           HA       LEU   8  15.320  10.568  11.730
  542    HB2  LEU   8           2HB      LEU   8  15.159  12.689  10.414
  543    HB3  LEU   8           1HB      LEU   8  15.597  11.782   8.980
  544    HG   LEU   8           HG       LEU   8  13.552  10.451   9.176
  545   HD11  LEU   8          1HD1      LEU   8  12.927  12.226  11.532
  546   HD12  LEU   8          2HD1      LEU   8  13.310  10.506  11.606
  547   HD13  LEU   8          3HD1      LEU   8  11.835  11.048  10.805
  548   HD21  LEU   8          3HD2      LEU   8  11.957  12.216   8.629
  549   HD22  LEU   8          1HD2      LEU   8  13.518  12.512   7.862
  550   HD23  LEU   8          2HD2      LEU   8  13.052  13.424   9.300
  551    H    ASN   9           H        ASN   9  15.872   8.435  11.851
  552    HA   ASN   9           HA       ASN   9  16.692   6.902   9.559
  553    HB2  ASN   9           2HB      ASN   9  17.341   6.341  11.897
  554    HB3  ASN   9           1HB      ASN   9  15.659   5.996  12.265
  555   HD21  ASN   9          1HD2      ASN   9  17.325   5.089   9.278
  556   HD22  ASN   9          2HD2      ASN   9  17.254   3.380   9.564
  557    H    GLY  10           H        GLY  10  14.434   8.308   8.903
  558    HA2  GLY  10           2HA      GLY  10  12.627   6.231   8.110
  559    HA3  GLY  10           1HA      GLY  10  11.933   7.293   9.329
  560    H    ILE  11           H        ILE  11  11.585   6.809   6.285
  561    HA   ILE  11           HA       ILE  11  11.817   9.639   5.481
  562    HB   ILE  11           HB       ILE  11  11.795   7.266   3.608
  563   HG12  ILE  11          2HG1      ILE  11  13.800   7.171   5.016
  564   HG13  ILE  11          1HG1      ILE  11  14.205   7.567   3.349
  565   HG21  ILE  11          1HG2      ILE  11  12.432  10.178   3.186
  566   HG22  ILE  11          2HG2      ILE  11  11.084   9.266   2.504
  567   HG23  ILE  11          3HG2      ILE  11  12.734   8.914   1.995
  568   HD11  ILE  11          3HD1      ILE  11  14.071   9.470   5.677
  569   HD12  ILE  11          1HD1      ILE  11  14.372   9.944   4.007
  570   HD13  ILE  11          2HD1      ILE  11  15.522   8.906   4.849
  571    H    LYS  12           H        LYS  12  10.131  10.293   3.861
  572    HA   LYS  12           HA       LYS  12   7.568   9.437   4.977
  573    HB2  LYS  12           2HB      LYS  12   7.998  11.745   5.317
  574    HB3  LYS  12           1HB      LYS  12   8.545  11.965   3.663
  575    HG2  LYS  12           2HG      LYS  12   6.409  12.978   3.877
  576    HG3  LYS  12           1HG      LYS  12   6.222  11.521   2.903
  577    HD2  LYS  12           2HD      LYS  12   5.399  10.320   4.879
  578    HD3  LYS  12           1HD      LYS  12   5.571  11.796   5.836
  579    HE2  LYS  12           2HE      LYS  12   3.789  11.439   3.428
  580    HE3  LYS  12           1HE      LYS  12   3.260  11.472   5.109
  581    HZ1  LYS  12           3HZ      LYS  12   4.603  13.719   3.704
  582    HZ2  LYS  12           1HZ      LYS  12   4.020  13.740   5.293
  583    HZ3  LYS  12           2HZ      LYS  12   2.940  13.606   3.997
  584    H    LEU  13           H        LEU  13   6.043   8.520   3.808
  585    HA   LEU  13           HA       LEU  13   6.061   8.850   0.903
  586    HB2  LEU  13           2HB      LEU  13   5.245   6.467   0.733
  587    HB3  LEU  13           1HB      LEU  13   6.946   6.681   1.088
  588    HG   LEU  13           HG       LEU  13   4.995   6.199   3.323
  589   HD11  LEU  13          1HD1      LEU  13   6.306   4.079   1.625
  590   HD12  LEU  13          2HD1      LEU  13   4.580   4.432   1.687
  591   HD13  LEU  13          3HD1      LEU  13   5.403   3.799   3.112
  592   HD21  LEU  13          3HD2      LEU  13   7.283   6.871   3.887
  593   HD22  LEU  13          1HD2      LEU  13   7.914   5.529   2.929
  594   HD23  LEU  13          2HD2      LEU  13   6.967   5.206   4.379
  595    H    GLY  14           H        GLY  14   4.136   9.333   0.063
  596    HA2  GLY  14           2HA      GLY  14   1.844   9.345   1.899
  597    HA3  GLY  14           1HA      GLY  14   2.027  10.394   0.503
  598    H    VAL  15           H        VAL  15   0.224   7.967   1.587
  599    HA   VAL  15           HA       VAL  15   0.112   6.560  -1.004
  600    HB   VAL  15           HB       VAL  15  -0.891   5.468   1.628
  601   HG11  VAL  15          1HG1      VAL  15  -1.823   4.398  -0.333
  602   HG12  VAL  15          2HG1      VAL  15  -0.702   3.304   0.480
  603   HG13  VAL  15          3HG1      VAL  15  -0.206   4.142  -0.988
  604   HG21  VAL  15          3HG2      VAL  15   1.814   5.038   0.372
  605   HG22  VAL  15          1HG2      VAL  15   1.173   4.142   1.749
  606   HG23  VAL  15          2HG2      VAL  15   1.484   5.872   1.892
  607    H    TYR  16           H        TYR  16  -1.912   6.110  -1.917
  608    HA   TYR  16           HA       TYR  16  -4.251   7.285  -0.560
  609    HB2  TYR  16           2HB      TYR  16  -3.499   7.217  -3.450
  610    HB3  TYR  16           1HB      TYR  16  -5.206   7.069  -3.025
  611    HD1  TYR  16           2HD      TYR  16  -6.031   8.823  -1.273
  612    HD2  TYR  16           1HD      TYR  16  -2.669   9.362  -3.807
  613    HE1  TYR  16           2HE      TYR  16  -6.232  11.240  -0.994
  614    HE2  TYR  16           1HE      TYR  16  -2.859  11.800  -3.541
  615    HH   TYR  16           HH       TYR  16  -4.760  13.443  -2.971
  616    H    ILE  17           H        ILE  17  -5.629   5.831   0.187
  617    HA   ILE  17           HA       ILE  17  -5.873   3.285  -1.263
  618    HB   ILE  17           HB       ILE  17  -6.103   2.052   0.816
  619   HG12  ILE  17          2HG1      ILE  17  -5.417   4.656   2.199
  620   HG13  ILE  17          1HG1      ILE  17  -6.977   3.838   2.256
  621   HG21  ILE  17          1HG2      ILE  17  -3.580   3.692   0.672
  622   HG22  ILE  17          2HG2      ILE  17  -3.909   2.184  -0.181
  623   HG23  ILE  17          3HG2      ILE  17  -3.762   2.189   1.577
  624   HD11  ILE  17          3HD1      ILE  17  -5.926   1.930   3.365
  625   HD12  ILE  17          1HD1      ILE  17  -5.707   3.425   4.280
  626   HD13  ILE  17          2HD1      ILE  17  -4.376   2.768   3.324
  627    HA   PRO  18           HA       PRO  18 -10.109   4.010  -1.701
  628    HB2  PRO  18           2HB      PRO  18 -10.511   1.180  -0.869
  629    HB3  PRO  18           1HB      PRO  18 -11.049   2.013  -2.332
  630    HG2  PRO  18           2HG      PRO  18  -9.001   0.328  -2.426
  631    HG3  PRO  18           1HG      PRO  18  -8.965   1.843  -3.349
  632    HD2  PRO  18           2HD      PRO  18  -7.591   1.142  -0.788
  633    HD3  PRO  18           1HD      PRO  18  -6.997   2.101  -2.161
  634    H    GLN  19           H        GLN  19 -12.110   4.214  -0.666
  635    HA   GLN  19           HA       GLN  19 -12.046   4.785   2.086
  636    HB2  GLN  19           2HB      GLN  19 -14.365   5.291   1.902
  637    HB3  GLN  19           1HB      GLN  19 -13.635   5.750   0.371
  638    HG2  GLN  19           2HG      GLN  19 -14.465   3.731  -0.669
  639    HG3  GLN  19           1HG      GLN  19 -15.129   3.185   0.869
  640   HE21  GLN  19          1HE2      GLN  19 -17.224   3.098   0.250
  641   HE22  GLN  19          2HE2      GLN  19 -18.157   4.502  -0.160
  642    H    GLU  20           H        GLU  20 -12.986   1.941   0.297
  643    HA   GLU  20           HA       GLU  20 -14.267   0.449   2.282
  644    HB2  GLU  20           2HB      GLU  20 -12.427  -0.625   0.135
  645    HB3  GLU  20           1HB      GLU  20 -13.737  -1.486   0.929
  646    HG2  GLU  20           2HG      GLU  20 -15.373  -0.077  -0.120
  647    HG3  GLU  20           1HG      GLU  20 -14.111   0.943  -0.808
  648    H    TRP  21           H        TRP  21 -10.933   1.155   1.689
  649    HA   TRP  21           HA       TRP  21  -9.858  -0.780   3.522
  650    HB2  TRP  21           2HB      TRP  21  -8.792   1.535   1.950
  651    HB3  TRP  21           1HB      TRP  21  -7.827   0.849   3.249
  652    HD1  TRP  21           HD       TRP  21  -9.855  -1.226   0.655
  653    HE1  TRP  21           1HE      TRP  21  -8.150  -2.669  -0.652
  654    HE3  TRP  21           3HE      TRP  21  -5.591   0.601   2.713
  655    HZ2  TRP  21           2HZ      TRP  21  -5.305  -2.944  -0.765
  656    HZ3  TRP  21           3HZ      TRP  21  -3.431  -0.266   1.968
  657    HH2  TRP  21           HH       TRP  21  -3.275  -1.983   0.280
  658    H    HIS  22           H        HIS  22 -10.421   2.707   3.450
  659    HA   HIS  22           HA       HIS  22  -9.401   3.369   5.951
  660    HB2  HIS  22           2HB      HIS  22 -10.247   4.912   4.080
  661    HB3  HIS  22           1HB      HIS  22 -11.853   4.667   4.764
  662    HD1  HIS  22           1HD      HIS  22 -12.501   6.186   6.643
  663    HD2  HIS  22           2HD      HIS  22  -8.398   6.157   5.964
  664    HE1  HIS  22           1HE      HIS  22 -11.554   7.981   8.131
  665    HE2  HIS  22           2HE      HIS  22  -9.087   8.051   7.585
  666    H    ASP  23           H        ASP  23 -12.545   2.120   5.009
  667    HA   ASP  23           HA       ASP  23 -13.848   2.264   7.482
  668    HB2  ASP  23           2HB      ASP  23 -15.054   1.790   5.440
  669    HB3  ASP  23           1HB      ASP  23 -14.157   0.295   5.209
  670    H    ARG  24           H        ARG  24 -12.161  -0.559   6.041
  671    HA   ARG  24           HA       ARG  24 -12.543  -2.130   8.393
  672    HB2  ARG  24           2HB      ARG  24 -11.013  -2.487   5.858
  673    HB3  ARG  24           1HB      ARG  24 -10.640  -3.534   7.216
  674    HG2  ARG  24           2HG      ARG  24 -12.173  -4.773   6.042
  675    HG3  ARG  24           1HG      ARG  24 -13.184  -3.987   7.251
  676    HD2  ARG  24           2HD      ARG  24 -14.027  -2.442   5.688
  677    HD3  ARG  24           1HD      ARG  24 -12.769  -2.832   4.512
  678    HE   ARG  24           HE       ARG  24 -14.578  -4.988   5.255
  679   HH11  ARG  24          1HH1      ARG  24 -13.848  -2.455   2.934
  680   HH12  ARG  24          2HH1      ARG  24 -14.677  -3.245   1.629
  681   HH21  ARG  24          1HH2      ARG  24 -15.661  -6.016   3.552
  682   HH22  ARG  24          2HH2      ARG  24 -15.712  -5.258   1.984
  683    H    LEU  25           H        LEU  25  -9.704  -0.483   7.035
  684    HA   LEU  25           HA       LEU  25  -7.882  -1.531   8.916
  685    HB2  LEU  25           2HB      LEU  25  -7.696   0.958   7.219
  686    HB3  LEU  25           1HB      LEU  25  -6.363   0.266   8.124
  687    HG   LEU  25           HG       LEU  25  -7.806  -1.025   5.807
  688   HD11  LEU  25          1HD1      LEU  25  -5.010   0.062   6.088
  689   HD12  LEU  25          2HD1      LEU  25  -6.319   0.778   5.148
  690   HD13  LEU  25          3HD1      LEU  25  -5.647  -0.784   4.678
  691   HD21  LEU  25          3HD2      LEU  25  -6.135  -2.801   6.006
  692   HD22  LEU  25          1HD2      LEU  25  -7.137  -2.697   7.452
  693   HD23  LEU  25          2HD2      LEU  25  -5.499  -2.042   7.466
  694    H    MET  26           H        MET  26  -9.569   1.614   8.784
  695    HA   MET  26           HA       MET  26  -8.269   2.600  11.097
  696    HB2  MET  26           2HB      MET  26 -10.793   3.490   9.723
  697    HB3  MET  26           1HB      MET  26 -10.089   4.334  11.095
  698    HG2  MET  26           2HG      MET  26  -8.761   3.864   8.436
  699    HG3  MET  26           1HG      MET  26  -9.486   5.376   8.977
  700    HE1  MET  26           3HE      MET  26  -8.495   6.892  10.917
  701    HE2  MET  26           1HE      MET  26  -7.123   6.414  11.918
  702    HE3  MET  26           2HE      MET  26  -8.636   5.513  12.009
  703    H    GLU  27           H        GLU  27 -11.160   0.653  10.656
  704    HA   GLU  27           HA       GLU  27 -12.086   0.942  13.311
  705    HB2  GLU  27           2HB      GLU  27 -13.335  -0.168  11.410
  706    HB3  GLU  27           1HB      GLU  27 -12.301  -1.572  11.653
  707    HG2  GLU  27           2HG      GLU  27 -14.411  -1.892  12.774
  708    HG3  GLU  27           1HG      GLU  27 -13.116  -1.752  13.963
  709    H    ILE  28           H        ILE  28  -9.747  -1.224  11.812
  710    HA   ILE  28           HA       ILE  28  -9.106  -2.686  14.174
  711    HB   ILE  28           HB       ILE  28  -7.430  -2.214  11.696
  712   HG12  ILE  28          2HG1      ILE  28  -9.241  -4.536  12.395
  713   HG13  ILE  28          1HG1      ILE  28  -9.634  -3.261  11.247
  714   HG21  ILE  28          1HG2      ILE  28  -6.210  -4.223  12.353
  715   HG22  ILE  28          2HG2      ILE  28  -7.171  -4.333  13.826
  716   HG23  ILE  28          3HG2      ILE  28  -6.083  -2.967  13.584
  717   HD11  ILE  28          3HD1      ILE  28  -7.376  -5.234  10.992
  718   HD12  ILE  28          1HD1      ILE  28  -7.760  -3.954   9.842
  719   HD13  ILE  28          2HD1      ILE  28  -8.901  -5.272  10.108
  720    H    ALA  29           H        ALA  29  -8.095   0.310  12.764
  721    HA   ALA  29           HA       ALA  29  -5.688   0.755  14.109
  722    HB1  ALA  29           1HB      ALA  29  -7.693   2.782  13.130
  723    HB2  ALA  29           2HB      ALA  29  -6.402   2.054  12.171
  724    HB3  ALA  29           3HB      ALA  29  -6.006   3.103  13.533
  725    H    LYS  30           H        LYS  30  -9.025   1.332  15.091
  726    HA   LYS  30           HA       LYS  30  -8.260   2.684  17.523
  727    HB2  LYS  30           2HB      LYS  30 -10.908   1.334  17.009
  728    HB3  LYS  30           1HB      LYS  30 -10.572   2.675  18.095
  729    HG2  LYS  30           2HG      LYS  30 -10.141   4.114  16.149
  730    HG3  LYS  30           1HG      LYS  30 -10.545   2.762  15.086
  731    HD2  LYS  30           2HD      LYS  30 -12.760   2.679  16.404
  732    HD3  LYS  30           1HD      LYS  30 -12.328   4.304  16.938
  733    HE2  LYS  30           2HE      LYS  30 -13.771   4.415  14.991
  734    HE3  LYS  30           1HE      LYS  30 -12.159   5.011  14.592
  735    HZ1  LYS  30           3HZ      LYS  30 -13.155   2.271  14.008
  736    HZ2  LYS  30           1HZ      LYS  30 -11.647   2.909  13.567
  737    HZ3  LYS  30           2HZ      LYS  30 -13.061   3.533  12.876
  738    H    GLU  31           H        GLU  31  -9.321  -0.517  16.587
  739    HA   GLU  31           HA       GLU  31  -9.622  -1.685  19.099
  740    HB2  GLU  31           2HB      GLU  31 -10.485  -2.713  17.093
  741    HB3  GLU  31           1HB      GLU  31  -8.865  -2.894  16.438
  742    HG2  GLU  31           2HG      GLU  31  -8.367  -4.407  18.384
  743    HG3  GLU  31           1HG      GLU  31 -10.091  -4.358  18.753
  744    H    LYS  32           H        LYS  32  -6.797  -1.759  16.931
  745    HA   LYS  32           HA       LYS  32  -5.288  -3.131  19.019
  746    HB2  LYS  32           2HB      LYS  32  -4.797  -2.746  16.079
  747    HB3  LYS  32           1HB      LYS  32  -3.557  -3.373  17.157
  748    HG2  LYS  32           2HG      LYS  32  -5.057  -5.209  17.795
  749    HG3  LYS  32           1HG      LYS  32  -6.267  -4.592  16.669
  750    HD2  LYS  32           2HD      LYS  32  -4.861  -5.031  14.795
  751    HD3  LYS  32           1HD      LYS  32  -3.485  -5.391  15.840
  752    HE2  LYS  32           2HE      LYS  32  -4.441  -7.446  14.979
  753    HE3  LYS  32           1HE      LYS  32  -4.683  -7.344  16.720
  754    HZ1  LYS  32           3HZ      LYS  32  -6.967  -6.527  16.247
  755    HZ2  LYS  32           1HZ      LYS  32  -6.686  -8.113  15.722
  756    HZ3  LYS  32           2HZ      LYS  32  -6.708  -6.841  14.605
  757    H    ASN  33           H        ASN  33  -5.831  -0.033  18.178
  758    HA   ASN  33           HA       ASN  33  -4.894   1.951  18.750
  759    HB2  ASN  33           2HB      ASN  33  -4.472   0.650  20.905
  760    HB3  ASN  33           1HB      ASN  33  -2.828   0.411  20.327
  761   HD21  ASN  33          1HD2      ASN  33  -3.778   1.789  22.682
  762   HD22  ASN  33          2HD2      ASN  33  -3.158   3.402  22.580
  763    H    LEU  34           H        LEU  34  -4.315   1.328  16.352
  764    HA   LEU  34           HA       LEU  34  -1.492   2.058  15.974
  765    HB2  LEU  34           2HB      LEU  34  -3.059   0.066  14.317
  766    HB3  LEU  34           1HB      LEU  34  -1.438   0.631  13.957
  767    HG   LEU  34           HG       LEU  34  -2.188  -0.935  16.424
  768   HD11  LEU  34          1HD1      LEU  34  -2.477  -2.278  14.408
  769   HD12  LEU  34          2HD1      LEU  34  -1.069  -2.817  15.326
  770   HD13  LEU  34          3HD1      LEU  34  -0.855  -1.840  13.873
  771   HD21  LEU  34          3HD2      LEU  34  -0.234   0.494  16.723
  772   HD22  LEU  34          1HD2      LEU  34   0.491  -0.173  15.258
  773   HD23  LEU  34          2HD2      LEU  34   0.238  -1.205  16.666
  774    H    THR  35           H        THR  35  -1.175   3.113  13.789
  775    HA   THR  35           HA       THR  35  -3.649   4.444  12.922
  776    HB   THR  35           HB       THR  35  -2.271   6.109  11.830
  777    HG1  THR  35           1HG      THR  35   0.056   4.777  12.816
  778   HG21  THR  35          3HG2      THR  35  -1.146   7.111  13.750
  779   HG22  THR  35          1HG2      THR  35  -1.196   5.567  14.601
  780   HG23  THR  35          2HG2      THR  35  -2.695   6.421  14.236
  781    H    LEU  36           H        LEU  36  -3.975   4.665  10.552
  782    HA   LEU  36           HA       LEU  36  -3.683   2.233   9.202
  783    HB2  LEU  36           2HB      LEU  36  -4.570   3.302   7.275
  784    HB3  LEU  36           1HB      LEU  36  -5.375   3.984   8.668
  785    HG   LEU  36           HG       LEU  36  -3.139   5.343   7.153
  786   HD11  LEU  36          1HD1      LEU  36  -4.889   6.766   6.228
  787   HD12  LEU  36          2HD1      LEU  36  -6.119   5.817   7.067
  788   HD13  LEU  36          3HD1      LEU  36  -5.156   5.079   5.785
  789   HD21  LEU  36          3HD2      LEU  36  -3.832   7.337   8.383
  790   HD22  LEU  36          1HD2      LEU  36  -3.315   6.065   9.489
  791   HD23  LEU  36          2HD2      LEU  36  -5.034   6.391   9.261
  792    H    SER  37           H        SER  37  -1.666   5.088   9.278
  793    HA   SER  37           HA       SER  37   0.201   4.437   7.314
  794    HB2  SER  37           2HB      SER  37   0.718   5.813   9.967
  795    HB3  SER  37           1HB      SER  37   1.715   5.929   8.515
  796    HG   SER  37           HG       SER  37   0.489   7.555   8.023
  797    H    ASP  38           H        ASP  38   0.092   3.544  10.760
  798    HA   ASP  38           HA       ASP  38   2.512   2.092  10.794
  799    HB2  ASP  38           2HB      ASP  38   0.054   1.917  12.537
  800    HB3  ASP  38           1HB      ASP  38   1.481   0.927  12.814
  801    H    VAL  39           H        VAL  39  -0.823   1.147  10.145
  802    HA   VAL  39           HA       VAL  39  -0.407  -1.628  10.033
  803    HB   VAL  39           HB       VAL  39  -2.451   0.010   8.514
  804   HG11  VAL  39          1HG1      VAL  39  -2.459  -2.926   9.214
  805   HG12  VAL  39          2HG1      VAL  39  -2.198  -2.255   7.606
  806   HG13  VAL  39          3HG1      VAL  39  -3.757  -2.048   8.404
  807   HG21  VAL  39          3HG2      VAL  39  -2.607  -1.334  11.210
  808   HG22  VAL  39          1HG2      VAL  39  -3.957  -0.575  10.368
  809   HG23  VAL  39          2HG2      VAL  39  -2.590   0.403  10.901
  810    H    CYS  40           H        CYS  40   0.007   0.897   7.608
  811    HA   CYS  40           HA       CYS  40   0.288  -0.815   5.381
  812    HB2  CYS  40           2HB      CYS  40  -0.012   1.830   5.600
  813    HB3  CYS  40           1HB      CYS  40   1.741   1.808   5.422
  814    HG   CYS  40           HG       CYS  40   0.540  -0.129   3.116
  815    H    ARG  41           H        ARG  41   2.856   1.007   7.063
  816    HA   ARG  41           HA       ARG  41   4.985  -0.404   6.047
  817    HB2  ARG  41           2HB      ARG  41   6.295   0.481   7.940
  818    HB3  ARG  41           1HB      ARG  41   5.336   1.692   7.111
  819    HG2  ARG  41           2HG      ARG  41   4.936   2.296   9.252
  820    HG3  ARG  41           1HG      ARG  41   3.622   1.139   9.039
  821    HD2  ARG  41           2HD      ARG  41   4.847  -0.572  10.164
  822    HD3  ARG  41           1HD      ARG  41   6.313   0.415  10.181
  823    HE   ARG  41           HE       ARG  41   4.101   1.656  11.519
  824   HH11  ARG  41          1HH1      ARG  41   6.724  -0.630  11.921
  825   HH12  ARG  41          2HH1      ARG  41   6.867  -0.354  13.628
  826   HH21  ARG  41          1HH2      ARG  41   4.247   1.991  13.750
  827   HH22  ARG  41          2HH2      ARG  41   5.435   1.112  14.683
  828    H    LEU  42           H        LEU  42   2.992  -1.305   8.843
  829    HA   LEU  42           HA       LEU  42   4.749  -3.364   9.739
  830    HB2  LEU  42           2HB      LEU  42   1.780  -2.972  10.102
  831    HB3  LEU  42           1HB      LEU  42   2.664  -4.300  10.828
  832    HG   LEU  42           HG       LEU  42   3.172  -1.373  11.366
  833   HD11  LEU  42          1HD1      LEU  42   1.048  -2.115  12.302
  834   HD12  LEU  42          2HD1      LEU  42   2.232  -1.853  13.581
  835   HD13  LEU  42          3HD1      LEU  42   1.848  -3.492  13.060
  836   HD21  LEU  42          3HD2      LEU  42   4.624  -2.200  13.160
  837   HD22  LEU  42          1HD2      LEU  42   5.191  -2.716  11.571
  838   HD23  LEU  42          2HD2      LEU  42   4.342  -3.856  12.618
  839    H    ALA  43           H        ALA  43   2.410  -3.088   7.241
  840    HA   ALA  43           HA       ALA  43   2.017  -5.866   6.818
  841    HB1  ALA  43           1HB      ALA  43   0.366  -4.199   6.169
  842    HB2  ALA  43           2HB      ALA  43   0.864  -5.189   4.796
  843    HB3  ALA  43           3HB      ALA  43   1.490  -3.548   4.975
  844    H    ILE  44           H        ILE  44   4.223  -3.443   5.394
  845    HA   ILE  44           HA       ILE  44   5.212  -5.242   3.413
  846    HB   ILE  44           HB       ILE  44   7.254  -3.688   3.391
  847   HG12  ILE  44          2HG1      ILE  44   5.365  -2.114   5.132
  848   HG13  ILE  44          1HG1      ILE  44   7.002  -2.627   5.537
  849   HG21  ILE  44          1HG2      ILE  44   4.503  -2.705   2.687
  850   HG22  ILE  44          2HG2      ILE  44   5.583  -3.666   1.675
  851   HG23  ILE  44          3HG2      ILE  44   6.006  -2.003   2.088
  852   HD11  ILE  44          3HD1      ILE  44   6.267  -0.644   3.391
  853   HD12  ILE  44          1HD1      ILE  44   7.899  -1.149   3.826
  854   HD13  ILE  44          2HD1      ILE  44   6.917  -0.256   4.985
  855    H    LYS  45           H        LYS  45   6.043  -4.587   6.739
  856    HA   LYS  45           HA       LYS  45   8.380  -6.070   6.949
  857    HB2  LYS  45           2HB      LYS  45   7.644  -4.895   8.872
  858    HB3  LYS  45           1HB      LYS  45   6.066  -5.664   8.838
  859    HG2  LYS  45           2HG      LYS  45   7.129  -7.803   9.441
  860    HG3  LYS  45           1HG      LYS  45   8.681  -6.973   9.555
  861    HD2  LYS  45           2HD      LYS  45   7.976  -5.690  11.402
  862    HD3  LYS  45           1HD      LYS  45   6.279  -6.094  11.137
  863    HE2  LYS  45           2HE      LYS  45   8.438  -8.027  11.994
  864    HE3  LYS  45           1HE      LYS  45   7.230  -7.301  13.055
  865    HZ1  LYS  45           3HZ      LYS  45   6.427  -9.426  12.505
  866    HZ2  LYS  45           1HZ      LYS  45   6.789  -9.246  10.858
  867    HZ3  LYS  45           2HZ      LYS  45   5.525  -8.354  11.548
  868    H    GLU  46           H        GLU  46   5.007  -7.143   7.129
  869    HA   GLU  46           HA       GLU  46   5.607  -9.918   7.364
  870    HB2  GLU  46           2HB      GLU  46   3.442  -8.753   8.008
  871    HB3  GLU  46           1HB      GLU  46   3.065  -8.684   6.293
  872    HG2  GLU  46           2HG      GLU  46   1.918 -10.545   7.157
  873    HG3  GLU  46           1HG      GLU  46   3.291 -11.187   6.254
  874    H    TYR  47           H        TYR  47   5.144  -7.687   4.765
  875    HA   TYR  47           HA       TYR  47   4.666  -9.469   2.656
  876    HB2  TYR  47           2HB      TYR  47   4.255  -7.002   2.633
  877    HB3  TYR  47           1HB      TYR  47   5.991  -6.754   2.529
  878    HD1  TYR  47           2HD      TYR  47   3.030  -8.026   0.752
  879    HD2  TYR  47           1HD      TYR  47   7.140  -6.977   0.443
  880    HE1  TYR  47           2HE      TYR  47   2.861  -8.119  -1.698
  881    HE2  TYR  47           1HE      TYR  47   6.985  -7.063  -2.010
  882    HH   TYR  47           HH       TYR  47   3.953  -7.285  -3.651
  883    H    LEU  48           H        LEU  48   7.639  -8.053   3.941
  884    HA   LEU  48           HA       LEU  48   9.394  -9.185   2.040
  885    HB2  LEU  48           2HB      LEU  48   9.966  -8.421   4.904
  886    HB3  LEU  48           1HB      LEU  48  11.167  -8.700   3.660
  887    HG   LEU  48           HG       LEU  48   9.150  -6.455   3.710
  888   HD11  LEU  48          1HD1      LEU  48  12.141  -6.459   4.075
  889   HD12  LEU  48          2HD1      LEU  48  10.937  -6.176   5.333
  890   HD13  LEU  48          3HD1      LEU  48  11.110  -5.029   4.004
  891   HD21  LEU  48          3HD2      LEU  48  11.342  -7.056   1.725
  892   HD22  LEU  48          1HD2      LEU  48  10.334  -5.609   1.747
  893   HD23  LEU  48          2HD2      LEU  48   9.607  -7.183   1.426
  894    H    ASP  49           H        ASP  49   8.336 -10.226   5.231
  895    HA   ASP  49           HA       ASP  49   9.969 -12.452   5.562
  896    HB2  ASP  49           2HB      ASP  49   8.631 -11.491   7.357
  897    HB3  ASP  49           1HB      ASP  49   7.149 -11.979   6.545
  898    H    ASN  50           H        ASN  50   6.733 -12.261   4.117
  899    HA   ASN  50           HA       ASN  50   6.678 -15.094   3.623
  900    HB2  ASN  50           2HB      ASN  50   4.773 -12.856   2.988
  901    HB3  ASN  50           1HB      ASN  50   4.490 -14.515   2.462
  902   HD21  ASN  50          1HD2      ASN  50   4.827 -12.400   5.223
  903   HD22  ASN  50          2HD2      ASN  50   4.093 -13.464   6.369
  904    H    HIS  51           H        HIS  51   7.760 -12.360   1.840
  905    HA   HIS  51           HA       HIS  51   7.465 -13.775  -0.692
  906    HB2  HIS  51           2HB      HIS  51   8.165 -10.964   0.029
  907    HB3  HIS  51           1HB      HIS  51   8.664 -11.595  -1.539
  908    HD1  HIS  51           1HD      HIS  51   7.038 -11.056  -3.308
  909    HD2  HIS  51           2HD      HIS  51   5.177 -11.614   0.374
  910    HE1  HIS  51           1HE      HIS  51   4.578 -10.715  -3.725
  911    HE2  HIS  51           2HE      HIS  51   3.453 -11.165  -1.510
  912    H    ASP  52           H        ASP  52   9.998 -12.770   1.539
  913    HA   ASP  52           HA       ASP  52  11.759 -14.622   0.075
  914    HB2  ASP  52           2HB      ASP  52  12.487 -12.152   0.031
  915    HB3  ASP  52           1HB      ASP  52  12.819 -12.347   1.750
  916    H    LYS  53           H        LYS  53  12.116 -16.388   1.217
  917    HA   LYS  53           HA       LYS  53  11.353 -16.291   4.060
  918    HB2  LYS  53           2HB      LYS  53  11.105 -18.607   2.130
  919    HB3  LYS  53           1HB      LYS  53  10.489 -18.543   3.777
  920    HG2  LYS  53           2HG      LYS  53   8.876 -16.887   3.194
  921    HG3  LYS  53           1HG      LYS  53   9.589 -16.679   1.594
  922    HD2  LYS  53           2HD      LYS  53   8.257 -19.185   2.617
  923    HD3  LYS  53           1HD      LYS  53   7.535 -18.016   1.513
  924    HE2  LYS  53           2HE      LYS  53   9.335 -18.478  -0.109
  925    HE3  LYS  53           1HE      LYS  53   9.986 -19.695   0.986
  926    HZ1  LYS  53           3HZ      LYS  53   7.838 -20.874   0.811
  927    HZ2  LYS  53           1HZ      LYS  53   8.654 -20.762  -0.673
  928    HZ3  LYS  53           2HZ      LYS  53   7.334 -19.748  -0.352
  929    H    GLN  54           H        GLN  54  14.109 -16.413   2.367
  930    HA   GLN  54           HA       GLN  54  15.430 -18.066   4.334
  931    HB2  GLN  54           2HB      GLN  54  16.532 -19.487   2.532
  932    HB3  GLN  54           1HB      GLN  54  14.864 -19.859   2.938
  933    HG2  GLN  54           2HG      GLN  54  14.150 -18.536   0.964
  934    HG3  GLN  54           1HG      GLN  54  15.850 -18.346   0.533
  935   HE21  GLN  54          1HE2      GLN  54  13.202 -20.584   0.843
  936   HE22  GLN  54          2HE2      GLN  54  13.904 -21.863  -0.087
  937    H    LYS  55           H        LYS  55  15.868 -16.338   1.246
  938    HA   LYS  55           HA       LYS  55  18.687 -16.031   1.822
  939    HB2  LYS  55           2HB      LYS  55  18.501 -14.638  -0.409
  940    HB3  LYS  55           1HB      LYS  55  18.500 -16.396  -0.426
  941    HG2  LYS  55           2HG      LYS  55  16.093 -16.429  -0.641
  942    HG3  LYS  55           1HG      LYS  55  16.033 -14.670  -0.504
  943    HD2  LYS  55           2HD      LYS  55  17.536 -16.118  -2.677
  944    HD3  LYS  55           1HD      LYS  55  15.868 -15.568  -2.846
  945    HE2  LYS  55           2HE      LYS  55  18.180 -13.768  -2.145
  946    HE3  LYS  55           1HE      LYS  55  17.584 -14.011  -3.785
  947    HZ1  LYS  55           3HZ      LYS  55  15.483 -13.092  -3.181
  948    HZ2  LYS  55           1HZ      LYS  55  16.689 -12.012  -2.686
  949    HZ3  LYS  55           2HZ      LYS  55  15.912 -12.998  -1.540
  950    H    LYS  56           H        LYS  56  19.684 -13.835   1.425
  951    HA   LYS  56           HA       LYS  56  20.132 -11.837   2.395
  952    HB2  LYS  56           2HB      LYS  56  17.263 -11.447   1.567
  953    HB3  LYS  56           1HB      LYS  56  18.182 -10.162   2.339
  954    HG2  LYS  56           2HG      LYS  56  19.857 -10.325   0.524
  955    HG3  LYS  56           1HG      LYS  56  18.826 -11.520  -0.268
  956    HD2  LYS  56           2HD      LYS  56  17.070  -9.919  -0.552
  957    HD3  LYS  56           1HD      LYS  56  17.913  -8.736   0.450
  958    HE2  LYS  56           2HE      LYS  56  19.708  -8.614  -1.212
  959    HE3  LYS  56           1HE      LYS  56  18.865  -9.801  -2.208
  960    HZ1  LYS  56           3HZ      LYS  56  17.089  -8.275  -2.566
  961    HZ2  LYS  56           1HZ      LYS  56  18.537  -7.464  -2.904
  962    HZ3  LYS  56           2HZ      LYS  56  17.722  -7.162  -1.453
  Start of MODEL   13
    1    H1   GLY   2           1HT      GLY   2 -17.621  18.863  -8.875
    2    H2   GLY   2           2HT      GLY   2 -16.430  18.900  -7.667
    3    H3   GLY   2           3HT      GLY   2 -17.883  18.073  -7.397
    4    HA2  GLY   2           1HA      GLY   2 -17.344  16.477  -9.110
    5    HA3  GLY   2           2HA      GLY   2 -15.851  17.346  -9.428
    6    H    ARG   3           H        ARG   3 -17.594  15.412  -7.054
    7    HA   ARG   3           HA       ARG   3 -15.073  14.968  -5.628
    8    HB2  ARG   3           2HB      ARG   3 -17.948  14.453  -4.880
    9    HB3  ARG   3           1HB      ARG   3 -16.600  13.815  -3.943
   10    HG2  ARG   3           2HG      ARG   3 -15.787  16.068  -3.533
   11    HG3  ARG   3           1HG      ARG   3 -17.081  16.732  -4.527
   12    HD2  ARG   3           2HD      ARG   3 -17.586  15.075  -2.067
   13    HD3  ARG   3           1HD      ARG   3 -17.428  16.825  -2.027
   14    HE   ARG   3           HE       ARG   3 -19.509  15.397  -3.560
   15   HH11  ARG   3          1HH1      ARG   3 -18.515  18.178  -1.616
   16   HH12  ARG   3          2HH1      ARG   3 -20.110  18.864  -1.598
   17   HH21  ARG   3          1HH2      ARG   3 -21.579  16.326  -3.521
   18   HH22  ARG   3          2HH2      ARG   3 -21.834  17.819  -2.666
   19    HA   PRO   4           HA       PRO   4 -13.963  11.771  -8.203
   20    HB2  PRO   4           2HB      PRO   4 -12.977  10.089  -6.114
   21    HB3  PRO   4           1HB      PRO   4 -12.074  11.155  -7.189
   22    HG2  PRO   4           2HG      PRO   4 -13.028  11.628  -4.430
   23    HG3  PRO   4           1HG      PRO   4 -11.652  12.342  -5.288
   24    HD2  PRO   4           2HD      PRO   4 -13.868  13.756  -4.786
   25    HD3  PRO   4           1HD      PRO   4 -12.963  13.960  -6.304
   26    H    TYR   5           H        TYR   5 -15.869  10.953  -8.967
   27    HA   TYR   5           HA       TYR   5 -17.097   9.187  -9.647
   28    HB2  TYR   5           2HB      TYR   5 -15.267   7.733  -7.757
   29    HB3  TYR   5           1HB      TYR   5 -16.528   6.902  -8.660
   30    HD1  TYR   5           1HD      TYR   5 -16.431   6.818 -11.125
   31    HD2  TYR   5           2HD      TYR   5 -13.242   8.438  -8.824
   32    HE1  TYR   5           1HE      TYR   5 -14.941   6.626 -13.066
   33    HE2  TYR   5           2HE      TYR   5 -11.739   8.251 -10.764
   34    HH   TYR   5           HH       TYR   5 -12.909   7.606 -13.923
   35    H    LYS   6           H        LYS   6 -16.699   8.414  -6.199
   36    HA   LYS   6           HA       LYS   6 -19.633   8.334  -5.967
   37    HB2  LYS   6           2HB      LYS   6 -19.423   6.199  -4.741
   38    HB3  LYS   6           1HB      LYS   6 -18.857   6.057  -6.403
   39    HG2  LYS   6           2HG      LYS   6 -16.582   6.123  -5.720
   40    HG3  LYS   6           1HG      LYS   6 -17.032   6.563  -4.071
   41    HD2  LYS   6           2HD      LYS   6 -18.179   4.361  -3.872
   42    HD3  LYS   6           1HD      LYS   6 -17.561   3.937  -5.469
   43    HE2  LYS   6           2HE      LYS   6 -16.117   2.963  -3.834
   44    HE3  LYS   6           1HE      LYS   6 -15.253   4.302  -4.589
   45    HZ1  LYS   6           3HZ      LYS   6 -15.696   5.669  -2.689
   46    HZ2  LYS   6           1HZ      LYS   6 -15.017   4.211  -2.146
   47    HZ3  LYS   6           2HZ      LYS   6 -16.684   4.482  -1.994
   48    H    LEU   7           H        LEU   7 -17.862  10.320  -5.101
   49    HA   LEU   7           HA       LEU   7 -17.411  11.643  -3.315
   50    HB2  LEU   7           2HB      LEU   7 -19.163   9.675  -1.836
   51    HB3  LEU   7           1HB      LEU   7 -18.472  11.103  -1.097
   52    HG   LEU   7           HG       LEU   7 -20.686  11.684  -1.581
   53   HD11  LEU   7          1HD1      LEU   7 -19.125  13.406  -2.246
   54   HD12  LEU   7          2HD1      LEU   7 -20.537  13.405  -3.303
   55   HD13  LEU   7          3HD1      LEU   7 -19.017  12.709  -3.862
   56   HD21  LEU   7          3HD2      LEU   7 -21.769  11.355  -3.746
   57   HD22  LEU   7          1HD2      LEU   7 -21.262   9.823  -3.035
   58   HD23  LEU   7          2HD2      LEU   7 -20.324  10.539  -4.345
   59    H    LEU   8           H        LEU   8 -15.252  11.225  -3.378
   60    HA   LEU   8           HA       LEU   8 -13.216  10.610  -2.620
   61    HB2  LEU   8           2HB      LEU   8 -14.835   9.649  -0.267
   62    HB3  LEU   8           1HB      LEU   8 -13.091   9.503  -0.330
   63    HG   LEU   8           HG       LEU   8 -13.542  11.422   0.962
   64   HD11  LEU   8          1HD1      LEU   8 -12.887  12.348  -1.824
   65   HD12  LEU   8          2HD1      LEU   8 -11.743  11.722  -0.637
   66   HD13  LEU   8          3HD1      LEU   8 -12.582  13.245  -0.336
   67   HD21  LEU   8          3HD2      LEU   8 -14.972  13.264   0.228
   68   HD22  LEU   8          1HD2      LEU   8 -15.873  11.755   0.361
   69   HD23  LEU   8          2HD2      LEU   8 -15.392  12.359  -1.225
   70    H    ASN   9           H        ASN   9 -12.689   9.183  -4.224
   71    HA   ASN   9           HA       ASN   9 -13.397   6.381  -3.928
   72    HB2  ASN   9           2HB      ASN   9 -12.255   6.031  -6.041
   73    HB3  ASN   9           1HB      ASN   9 -13.325   7.419  -6.187
   74   HD21  ASN   9          1HD2      ASN   9 -10.973   6.684  -7.742
   75   HD22  ASN   9          2HD2      ASN   9  -9.886   8.026  -7.632
   76    H    GLY  10           H        GLY  10 -10.910   8.518  -3.014
   77    HA2  GLY  10           2HA      GLY  10  -9.493   6.405  -1.669
   78    HA3  GLY  10           1HA      GLY  10  -8.589   7.131  -2.992
   79    H    ILE  11           H        ILE  11  -8.194   7.149  -0.035
   80    HA   ILE  11           HA       ILE  11  -8.251  10.071   0.409
   81    HB   ILE  11           HB       ILE  11  -8.259   8.005   2.607
   82   HG12  ILE  11          2HG1      ILE  11 -10.296   7.712   1.246
   83   HG13  ILE  11          1HG1      ILE  11 -10.655   8.322   2.858
   84   HG21  ILE  11          1HG2      ILE  11  -8.902  10.944   2.554
   85   HG22  ILE  11          2HG2      ILE  11  -7.515  10.166   3.319
   86   HG23  ILE  11          3HG2      ILE  11  -9.139   9.893   3.950
   87   HD11  ILE  11          3HD1      ILE  11 -12.001   9.440   1.180
   88   HD12  ILE  11          1HD1      ILE  11 -10.540   9.967   0.341
   89   HD13  ILE  11          2HD1      ILE  11 -10.896  10.574   1.958
   90    H    LYS  12           H        LYS  12  -6.453  10.839   1.810
   91    HA   LYS  12           HA       LYS  12  -4.003   9.525   0.901
   92    HB2  LYS  12           2HB      LYS  12  -4.274  11.792   0.158
   93    HB3  LYS  12           1HB      LYS  12  -4.609  12.346   1.792
   94    HG2  LYS  12           2HG      LYS  12  -2.409  13.009   1.297
   95    HG3  LYS  12           1HG      LYS  12  -2.271  11.630   2.387
   96    HD2  LYS  12           2HD      LYS  12  -1.833  10.163   0.492
   97    HD3  LYS  12           1HD      LYS  12  -2.013  11.525  -0.617
   98    HE2  LYS  12           2HE      LYS  12   0.111  11.115   1.475
   99    HE3  LYS  12           1HE      LYS  12   0.319  11.163  -0.274
  100    HZ1  LYS  12           3HZ      LYS  12  -0.310  13.401   1.554
  101    HZ2  LYS  12           1HZ      LYS  12  -0.539  13.520  -0.125
  102    HZ3  LYS  12           2HZ      LYS  12   1.011  13.240   0.502
  103    H    LEU  13           H        LEU  13  -2.574   8.694   2.242
  104    HA   LEU  13           HA       LEU  13  -2.747   9.336   5.101
  105    HB2  LEU  13           2HB      LEU  13  -1.994   6.946   5.492
  106    HB3  LEU  13           1HB      LEU  13  -3.655   7.181   4.991
  107    HG   LEU  13           HG       LEU  13  -1.587   6.536   2.924
  108   HD11  LEU  13          1HD1      LEU  13  -1.977   4.159   3.268
  109   HD12  LEU  13          2HD1      LEU  13  -2.987   4.511   4.670
  110   HD13  LEU  13          3HD1      LEU  13  -1.263   4.882   4.710
  111   HD21  LEU  13          3HD2      LEU  13  -3.525   5.451   1.857
  112   HD22  LEU  13          1HD2      LEU  13  -3.825   7.162   2.184
  113   HD23  LEU  13          2HD2      LEU  13  -4.530   5.924   3.228
  114    H    GLY  14           H        GLY  14  -0.863   9.700   6.136
  115    HA2  GLY  14           2HA      GLY  14   1.539   9.757   4.426
  116    HA3  GLY  14           1HA      GLY  14   1.257  10.784   5.825
  117    H    VAL  15           H        VAL  15   2.999   8.226   4.752
  118    HA   VAL  15           HA       VAL  15   3.100   6.938   7.403
  119    HB   VAL  15           HB       VAL  15   4.133   5.822   4.782
  120   HG11  VAL  15          1HG1      VAL  15   4.209   3.699   5.981
  121   HG12  VAL  15          2HG1      VAL  15   3.667   4.506   7.452
  122   HG13  VAL  15          3HG1      VAL  15   5.237   4.906   6.751
  123   HG21  VAL  15          3HG2      VAL  15   1.533   5.282   6.204
  124   HG22  VAL  15          1HG2      VAL  15   2.157   4.346   4.845
  125   HG23  VAL  15          2HG2      VAL  15   1.739   6.045   4.626
  126    H    TYR  16           H        TYR  16   5.048   6.734   8.477
  127    HA   TYR  16           HA       TYR  16   7.398   8.002   7.230
  128    HB2  TYR  16           2HB      TYR  16   6.311   8.184   9.995
  129    HB3  TYR  16           1HB      TYR  16   8.065   8.118   9.817
  130    HD1  TYR  16           2HD      TYR  16   8.722   9.658   7.589
  131    HD2  TYR  16           1HD      TYR  16   5.603  10.363  10.382
  132    HE1  TYR  16           2HE      TYR  16   8.825  12.042   7.075
  133    HE2  TYR  16           1HE      TYR  16   5.691  12.770   9.876
  134    HH   TYR  16           HH       TYR  16   7.614  14.384   8.946
  135    H    ILE  17           H        ILE  17   8.998   6.638   6.799
  136    HA   ILE  17           HA       ILE  17   9.484   4.417   8.642
  137    HB   ILE  17           HB       ILE  17   9.814   2.812   6.842
  138   HG12  ILE  17          2HG1      ILE  17   8.767   4.982   5.012
  139   HG13  ILE  17          1HG1      ILE  17  10.411   4.350   5.029
  140   HG21  ILE  17          1HG2      ILE  17   7.476   2.463   6.230
  141   HG22  ILE  17          2HG2      ILE  17   7.094   4.108   6.739
  142   HG23  ILE  17          3HG2      ILE  17   7.642   2.922   7.924
  143   HD11  ILE  17          3HD1      ILE  17   9.573   2.157   4.363
  144   HD12  ILE  17          1HD1      ILE  17   9.132   3.407   3.197
  145   HD13  ILE  17          2HD1      ILE  17   7.930   2.796   4.337
  146    HA   PRO  18           HA       PRO  18  13.665   5.585   8.445
  147    HB2  PRO  18           2HB      PRO  18  14.961   3.184   8.551
  148    HB3  PRO  18           1HB      PRO  18  14.158   3.927   9.938
  149    HG2  PRO  18           2HG      PRO  18  13.161   1.787   8.098
  150    HG3  PRO  18           1HG      PRO  18  13.046   1.885   9.865
  151    HD2  PRO  18           2HD      PRO  18  10.970   2.508   8.282
  152    HD3  PRO  18           1HD      PRO  18  11.286   3.387   9.793
  153    H    GLN  19           H        GLN  19  15.758   5.304   7.327
  154    HA   GLN  19           HA       GLN  19  15.311   5.415   4.516
  155    HB2  GLN  19           2HB      GLN  19  17.580   6.106   4.312
  156    HB3  GLN  19           1HB      GLN  19  16.932   6.870   5.756
  157    HG2  GLN  19           2HG      GLN  19  18.128   5.438   7.177
  158    HG3  GLN  19           1HG      GLN  19  18.505   4.319   5.869
  159   HE21  GLN  19          1HE2      GLN  19  19.125   6.521   4.019
  160   HE22  GLN  19          2HE2      GLN  19  20.681   7.104   4.501
  161    H    GLU  20           H        GLU  20  16.632   3.006   6.699
  162    HA   GLU  20           HA       GLU  20  17.868   1.283   4.876
  163    HB2  GLU  20           2HB      GLU  20  16.121   0.322   7.150
  164    HB3  GLU  20           1HB      GLU  20  17.509  -0.492   6.447
  165    HG2  GLU  20           2HG      GLU  20  18.346   0.293   8.435
  166    HG3  GLU  20           1HG      GLU  20  18.836   1.553   7.303
  167    H    TRP  21           H        TRP  21  14.526   1.745   5.730
  168    HA   TRP  21           HA       TRP  21  13.474  -0.396   4.168
  169    HB2  TRP  21           2HB      TRP  21  12.401   1.954   5.655
  170    HB3  TRP  21           1HB      TRP  21  11.366   1.205   4.449
  171    HD1  TRP  21           HD       TRP  21  13.612  -0.841   6.871
  172    HE1  TRP  21           1HE      TRP  21  12.030  -2.233   8.376
  173    HE3  TRP  21           3HE      TRP  21   9.181   1.052   5.294
  174    HZ2  TRP  21           2HZ      TRP  21   9.214  -2.461   8.813
  175    HZ3  TRP  21           3HZ      TRP  21   7.104   0.232   6.275
  176    HH2  TRP  21           HH       TRP  21   7.097  -1.467   7.981
  177    H    HIS  22           H        HIS  22  13.808   3.103   3.798
  178    HA   HIS  22           HA       HIS  22  12.510   3.361   1.342
  179    HB2  HIS  22           2HB      HIS  22  14.367   5.004   2.929
  180    HB3  HIS  22           1HB      HIS  22  14.397   5.322   1.195
  181    HD1  HIS  22           1HD      HIS  22  12.819   7.072   0.505
  182    HD2  HIS  22           2HD      HIS  22  11.475   5.032   3.876
  183    HE1  HIS  22           1HE      HIS  22  10.625   8.141   1.120
  184    HE2  HIS  22           2HE      HIS  22   9.909   6.992   3.245
  185    H    ASP  23           H        ASP  23  15.905   2.623   2.056
  186    HA   ASP  23           HA       ASP  23  16.869   2.756  -0.573
  187    HB2  ASP  23           2HB      ASP  23  18.331   2.606   1.410
  188    HB3  ASP  23           1HB      ASP  23  17.809   0.943   1.663
  189    H    ARG  24           H        ARG  24  15.615  -0.037   1.259
  190    HA   ARG  24           HA       ARG  24  15.960  -1.850  -0.931
  191    HB2  ARG  24           2HB      ARG  24  14.104  -2.186   1.432
  192    HB3  ARG  24           1HB      ARG  24  14.762  -3.456   0.412
  193    HG2  ARG  24           2HG      ARG  24  16.334  -1.709   2.291
  194    HG3  ARG  24           1HG      ARG  24  15.862  -3.384   2.577
  195    HD2  ARG  24           2HD      ARG  24  17.164  -4.019   0.549
  196    HD3  ARG  24           1HD      ARG  24  17.737  -2.358   0.457
  197    HE   ARG  24           HE       ARG  24  18.295  -4.246   2.665
  198   HH11  ARG  24          1HH1      ARG  24  19.268  -1.397   0.784
  199   HH12  ARG  24          2HH1      ARG  24  20.756  -1.227   1.648
  200   HH21  ARG  24          1HH2      ARG  24  20.232  -3.926   3.793
  201   HH22  ARG  24          2HH2      ARG  24  21.300  -2.630   3.341
  202    H    LEU  25           H        LEU  25  13.282   0.034   0.329
  203    HA   LEU  25           HA       LEU  25  11.231  -1.050  -1.253
  204    HB2  LEU  25           2HB      LEU  25  11.621   1.238   0.498
  205    HB3  LEU  25           1HB      LEU  25  10.568   1.621  -0.850
  206    HG   LEU  25           HG       LEU  25   9.305   0.905   1.129
  207   HD11  LEU  25          1HD1      LEU  25   9.198  -1.086  -1.131
  208   HD12  LEU  25          2HD1      LEU  25   8.381   0.475  -1.083
  209   HD13  LEU  25          3HD1      LEU  25   7.924  -0.795   0.051
  210   HD21  LEU  25          3HD2      LEU  25  10.763  -1.715   0.792
  211   HD22  LEU  25          1HD2      LEU  25   9.431  -1.415   1.907
  212   HD23  LEU  25          2HD2      LEU  25  10.967  -0.575   2.122
  213    H    MET  26           H        MET  26  13.304   1.783  -1.745
  214    HA   MET  26           HA       MET  26  12.042   2.661  -4.082
  215    HB2  MET  26           2HB      MET  26  14.796   3.132  -2.981
  216    HB3  MET  26           1HB      MET  26  14.215   3.909  -4.449
  217    HG2  MET  26           2HG      MET  26  12.768   4.078  -1.825
  218    HG3  MET  26           1HG      MET  26  13.999   5.240  -2.325
  219    HE1  MET  26           3HE      MET  26  10.694   7.277  -2.777
  220    HE2  MET  26           1HE      MET  26  12.321   7.278  -2.095
  221    HE3  MET  26           2HE      MET  26  11.112   6.140  -1.495
  222    H    GLU  27           H        GLU  27  14.815   0.457  -3.666
  223    HA   GLU  27           HA       GLU  27  15.312   0.302  -6.458
  224    HB2  GLU  27           2HB      GLU  27  16.986  -0.386  -4.775
  225    HB3  GLU  27           1HB      GLU  27  15.976  -1.768  -4.358
  226    HG2  GLU  27           2HG      GLU  27  16.235  -2.695  -6.550
  227    HG3  GLU  27           1HG      GLU  27  17.079  -1.253  -7.109
  228    H    ILE  28           H        ILE  28  13.416  -1.735  -4.250
  229    HA   ILE  28           HA       ILE  28  12.597  -3.616  -6.196
  230    HB   ILE  28           HB       ILE  28  11.214  -2.781  -3.636
  231   HG12  ILE  28          2HG1      ILE  28  13.001  -5.148  -4.252
  232   HG13  ILE  28          1HG1      ILE  28  13.488  -3.714  -3.353
  233   HG21  ILE  28          1HG2      ILE  28   9.622  -3.840  -5.137
  234   HG22  ILE  28          2HG2      ILE  28  10.013  -4.924  -3.802
  235   HG23  ILE  28          3HG2      ILE  28  10.731  -5.188  -5.390
  236   HD11  ILE  28          3HD1      ILE  28  11.345  -5.654  -2.519
  237   HD12  ILE  28          1HD1      ILE  28  11.890  -4.247  -1.606
  238   HD13  ILE  28          2HD1      ILE  28  12.989  -5.599  -1.885
  239    H    ALA  29           H        ALA  29  11.271  -0.542  -5.148
  240    HA   ALA  29           HA       ALA  29   8.798  -0.664  -6.468
  241    HB1  ALA  29           1HB      ALA  29   8.712   1.745  -6.176
  242    HB2  ALA  29           2HB      ALA  29  10.439   1.782  -5.816
  243    HB3  ALA  29           3HB      ALA  29   9.327   0.969  -4.715
  244    H    LYS  30           H        LYS  30  11.948   0.574  -7.534
  245    HA   LYS  30           HA       LYS  30  10.890   1.506 -10.035
  246    HB2  LYS  30           2HB      LYS  30  13.747   1.127  -9.119
  247    HB3  LYS  30           1HB      LYS  30  13.264   1.948 -10.600
  248    HG2  LYS  30           2HG      LYS  30  12.165   3.682  -9.351
  249    HG3  LYS  30           1HG      LYS  30  12.456   2.830  -7.833
  250    HD2  LYS  30           2HD      LYS  30  14.852   3.110  -8.111
  251    HD3  LYS  30           1HD      LYS  30  14.600   3.893  -9.671
  252    HE2  LYS  30           2HE      LYS  30  15.023   5.547  -7.933
  253    HE3  LYS  30           1HE      LYS  30  13.385   5.705  -8.563
  254    HZ1  LYS  30           3HZ      LYS  30  14.131   4.349  -6.030
  255    HZ2  LYS  30           1HZ      LYS  30  12.554   4.522  -6.628
  256    HZ3  LYS  30           2HZ      LYS  30  13.440   5.885  -6.156
  257    H    GLU  31           H        GLU  31  12.367  -1.374  -8.828
  258    HA   GLU  31           HA       GLU  31  12.963  -2.655 -11.252
  259    HB2  GLU  31           2HB      GLU  31  13.785  -3.524  -9.155
  260    HB3  GLU  31           1HB      GLU  31  12.149  -3.751  -8.557
  261    HG2  GLU  31           2HG      GLU  31  13.208  -5.855  -9.213
  262    HG3  GLU  31           1HG      GLU  31  11.763  -5.510 -10.160
  263    H    LYS  32           H        LYS  32   9.996  -2.471  -9.345
  264    HA   LYS  32           HA       LYS  32   8.587  -4.147 -11.279
  265    HB2  LYS  32           2HB      LYS  32   8.270  -3.510  -8.453
  266    HB3  LYS  32           1HB      LYS  32   6.756  -3.423  -9.339
  267    HG2  LYS  32           2HG      LYS  32   7.094  -5.629  -8.369
  268    HG3  LYS  32           1HG      LYS  32   7.060  -5.700 -10.129
  269    HD2  LYS  32           2HD      LYS  32   9.514  -5.802 -10.166
  270    HD3  LYS  32           1HD      LYS  32   9.539  -5.741  -8.401
  271    HE2  LYS  32           2HE      LYS  32   8.300  -7.835  -8.295
  272    HE3  LYS  32           1HE      LYS  32   8.208  -7.889 -10.053
  273    HZ1  LYS  32           3HZ      LYS  32  10.718  -8.004  -8.458
  274    HZ2  LYS  32           1HZ      LYS  32  10.606  -8.111 -10.147
  275    HZ3  LYS  32           2HZ      LYS  32   9.946  -9.332  -9.174
  276    H    ASN  33           H        ASN  33   9.231  -0.948 -10.974
  277    HA   ASN  33           HA       ASN  33   8.424   0.958 -11.894
  278    HB2  ASN  33           2HB      ASN  33   6.760  -1.024 -13.435
  279    HB3  ASN  33           1HB      ASN  33   6.598   0.712 -13.674
  280   HD21  ASN  33          1HD2      ASN  33   7.301   0.618 -15.777
  281   HD22  ASN  33          2HD2      ASN  33   8.954   0.300 -16.200
  282    H    LEU  34           H        LEU  34   7.524   0.241  -9.440
  283    HA   LEU  34           HA       LEU  34   4.828   1.418  -9.352
  284    HB2  LEU  34           2HB      LEU  34   5.988  -0.699  -7.524
  285    HB3  LEU  34           1HB      LEU  34   4.438   0.092  -7.293
  286    HG   LEU  34           HG       LEU  34   5.134  -1.655  -9.658
  287   HD11  LEU  34          1HD1      LEU  34   3.506  -2.252  -7.191
  288   HD12  LEU  34          2HD1      LEU  34   5.061  -2.966  -7.615
  289   HD13  LEU  34          3HD1      LEU  34   3.638  -3.295  -8.606
  290   HD21  LEU  34          3HD2      LEU  34   3.443   0.023 -10.158
  291   HD22  LEU  34          1HD2      LEU  34   2.522  -0.462  -8.737
  292   HD23  LEU  34          2HD2      LEU  34   2.721  -1.584 -10.083
  293    H    THR  35           H        THR  35   4.473   2.502  -7.154
  294    HA   THR  35           HA       THR  35   7.009   3.713  -6.281
  295    HB   THR  35           HB       THR  35   5.658   5.480  -5.239
  296    HG1  THR  35           1HG      THR  35   3.432   4.048  -6.339
  297   HG21  THR  35          3HG2      THR  35   4.787   6.525  -7.284
  298   HG22  THR  35          1HG2      THR  35   4.906   4.978  -8.121
  299   HG23  THR  35          2HG2      THR  35   6.366   5.787  -7.553
  300    H    LEU  36           H        LEU  36   7.352   3.977  -3.949
  301    HA   LEU  36           HA       LEU  36   6.948   1.622  -2.516
  302    HB2  LEU  36           2HB      LEU  36   7.829   2.743  -0.593
  303    HB3  LEU  36           1HB      LEU  36   8.724   3.255  -2.005
  304    HG   LEU  36           HG       LEU  36   6.564   4.894  -0.672
  305   HD11  LEU  36          1HD1      LEU  36   9.566   5.090  -0.452
  306   HD12  LEU  36          2HD1      LEU  36   8.462   4.571   0.821
  307   HD13  LEU  36          3HD1      LEU  36   8.406   6.231   0.227
  308   HD21  LEU  36          3HD2      LEU  36   8.604   5.595  -2.783
  309   HD22  LEU  36          1HD2      LEU  36   7.536   6.742  -1.976
  310   HD23  LEU  36          2HD2      LEU  36   6.857   5.482  -3.005
  311    H    SER  37           H        SER  37   5.049   4.551  -2.642
  312    HA   SER  37           HA       SER  37   3.197   4.095  -0.630
  313    HB2  SER  37           2HB      SER  37   2.575   5.212  -3.372
  314    HB3  SER  37           1HB      SER  37   1.763   5.587  -1.851
  315    HG   SER  37           HG       SER  37   3.153   7.137  -1.678
  316    H    ASP  38           H        ASP  38   3.225   2.932  -3.981
  317    HA   ASP  38           HA       ASP  38   0.757   1.566  -3.890
  318    HB2  ASP  38           2HB      ASP  38   3.180   1.042  -5.631
  319    HB3  ASP  38           1HB      ASP  38   1.598   0.311  -5.869
  320    H    VAL  39           H        VAL  39   4.081   0.555  -3.302
  321    HA   VAL  39           HA       VAL  39   3.594  -2.196  -3.122
  322    HB   VAL  39           HB       VAL  39   5.759  -0.623  -1.711
  323   HG11  VAL  39          1HG1      VAL  39   5.540  -2.870  -0.818
  324   HG12  VAL  39          2HG1      VAL  39   7.017  -2.736  -1.772
  325   HG13  VAL  39          3HG1      VAL  39   5.604  -3.547  -2.445
  326   HG21  VAL  39          3HG2      VAL  39   5.752  -0.186  -4.111
  327   HG22  VAL  39          1HG2      VAL  39   5.770  -1.920  -4.438
  328   HG23  VAL  39          2HG2      VAL  39   7.152  -1.154  -3.653
  329    H    CYS  40           H        CYS  40   3.462   0.350  -0.668
  330    HA   CYS  40           HA       CYS  40   3.180  -1.432   1.517
  331    HB2  CYS  40           2HB      CYS  40   3.322   1.415   1.135
  332    HB3  CYS  40           1HB      CYS  40   2.001   1.040   2.224
  333    HG   CYS  40           HG       CYS  40   3.749  -0.550   3.875
  334    H    ARG  41           H        ARG  41   0.667   0.631  -0.034
  335    HA   ARG  41           HA       ARG  41  -1.462  -0.604   1.251
  336    HB2  ARG  41           2HB      ARG  41  -2.860   0.204  -0.674
  337    HB3  ARG  41           1HB      ARG  41  -1.911   1.424   0.153
  338    HG2  ARG  41           2HG      ARG  41  -1.526   2.040  -1.985
  339    HG3  ARG  41           1HG      ARG  41  -0.201   0.893  -1.789
  340    HD2  ARG  41           2HD      ARG  41  -1.437  -0.828  -2.909
  341    HD3  ARG  41           1HD      ARG  41  -2.890   0.179  -2.944
  342    HE   ARG  41           HE       ARG  41  -0.646   1.390  -4.255
  343   HH11  ARG  41          1HH1      ARG  41  -3.333  -0.812  -4.694
  344   HH12  ARG  41          2HH1      ARG  41  -3.407  -0.575  -6.411
  345   HH21  ARG  41          1HH2      ARG  41  -0.737   1.706  -6.500
  346   HH22  ARG  41          2HH2      ARG  41  -1.940   0.862  -7.441
  347    H    LEU  42           H        LEU  42   0.253  -1.651  -1.671
  348    HA   LEU  42           HA       LEU  42  -1.540  -3.788  -2.255
  349    HB2  LEU  42           2HB      LEU  42   1.386  -3.412  -2.904
  350    HB3  LEU  42           1HB      LEU  42   0.434  -4.764  -3.482
  351    HG   LEU  42           HG       LEU  42  -0.112  -1.863  -4.111
  352   HD11  LEU  42          1HD1      LEU  42   1.065  -4.062  -5.810
  353   HD12  LEU  42          2HD1      LEU  42   1.924  -2.654  -5.186
  354   HD13  LEU  42          3HD1      LEU  42   0.636  -2.448  -6.373
  355   HD21  LEU  42          3HD2      LEU  42  -1.388  -4.395  -5.147
  356   HD22  LEU  42          1HD2      LEU  42  -1.719  -2.763  -5.726
  357   HD23  LEU  42          2HD2      LEU  42  -2.141  -3.215  -4.073
  358    H    ALA  43           H        ALA  43   1.108  -3.337  -0.069
  359    HA   ALA  43           HA       ALA  43   1.449  -6.056   0.624
  360    HB1  ALA  43           1HB      ALA  43   2.182  -3.596   2.179
  361    HB2  ALA  43           2HB      ALA  43   3.196  -4.408   0.985
  362    HB3  ALA  43           3HB      ALA  43   2.768  -5.233   2.484
  363    H    ILE  44           H        ILE  44  -0.681  -3.504   1.667
  364    HA   ILE  44           HA       ILE  44  -1.609  -4.724   4.053
  365    HB   ILE  44           HB       ILE  44  -3.049  -2.778   2.227
  366   HG12  ILE  44          2HG1      ILE  44  -1.450  -2.328   4.757
  367   HG13  ILE  44          1HG1      ILE  44  -0.947  -1.886   3.129
  368   HG21  ILE  44          1HG2      ILE  44  -3.644  -3.585   5.073
  369   HG22  ILE  44          2HG2      ILE  44  -4.614  -3.974   3.651
  370   HG23  ILE  44          3HG2      ILE  44  -4.459  -2.299   4.180
  371   HD11  ILE  44          3HD1      ILE  44  -3.306  -0.744   4.614
  372   HD12  ILE  44          1HD1      ILE  44  -2.798  -0.301   2.984
  373   HD13  ILE  44          2HD1      ILE  44  -1.751   0.049   4.359
  374    H    LYS  45           H        LYS  45  -2.569  -4.856   0.675
  375    HA   LYS  45           HA       LYS  45  -4.776  -6.547   0.940
  376    HB2  LYS  45           2HB      LYS  45  -4.311  -5.451  -1.157
  377    HB3  LYS  45           1HB      LYS  45  -2.766  -6.276  -1.296
  378    HG2  LYS  45           2HG      LYS  45  -3.808  -8.354  -1.719
  379    HG3  LYS  45           1HG      LYS  45  -5.393  -7.732  -1.257
  380    HD2  LYS  45           2HD      LYS  45  -3.802  -6.684  -3.590
  381    HD3  LYS  45           1HD      LYS  45  -5.016  -7.959  -3.728
  382    HE2  LYS  45           2HE      LYS  45  -5.544  -5.204  -2.618
  383    HE3  LYS  45           1HE      LYS  45  -5.870  -5.687  -4.282
  384    HZ1  LYS  45           3HZ      LYS  45  -7.843  -5.802  -2.838
  385    HZ2  LYS  45           1HZ      LYS  45  -7.079  -6.983  -1.889
  386    HZ3  LYS  45           2HZ      LYS  45  -7.447  -7.304  -3.511
  387    H    GLU  46           H        GLU  46  -1.321  -7.244   0.773
  388    HA   GLU  46           HA       GLU  46  -1.557 -10.081   0.754
  389    HB2  GLU  46           2HB      GLU  46   0.720  -8.371   1.786
  390    HB3  GLU  46           1HB      GLU  46   0.809 -10.081   1.391
  391    HG2  GLU  46           2HG      GLU  46   0.128  -7.962  -0.621
  392    HG3  GLU  46           1HG      GLU  46   1.774  -8.501  -0.294
  393    H    TYR  47           H        TYR  47  -1.369  -7.605   3.207
  394    HA   TYR  47           HA       TYR  47  -1.011  -9.234   5.454
  395    HB2  TYR  47           2HB      TYR  47  -0.790  -6.695   5.278
  396    HB3  TYR  47           1HB      TYR  47  -2.543  -6.632   5.419
  397    HD1  TYR  47           2HD      TYR  47  -3.641  -7.282   7.536
  398    HD2  TYR  47           1HD      TYR  47   0.593  -7.176   7.159
  399    HE1  TYR  47           2HE      TYR  47  -3.426  -7.329   9.986
  400    HE2  TYR  47           1HE      TYR  47   0.821  -7.221   9.607
  401    HH   TYR  47           HH       TYR  47  -0.453  -6.717  11.583
  402    H    LEU  48           H        LEU  48  -3.909  -7.966   3.886
  403    HA   LEU  48           HA       LEU  48  -5.772  -9.141   5.660
  404    HB2  LEU  48           2HB      LEU  48  -6.150  -8.309   2.783
  405    HB3  LEU  48           1HB      LEU  48  -7.436  -8.637   3.926
  406    HG   LEU  48           HG       LEU  48  -5.444  -6.377   4.115
  407   HD11  LEU  48          1HD1      LEU  48  -8.389  -6.393   3.474
  408   HD12  LEU  48          2HD1      LEU  48  -7.079  -6.044   2.346
  409   HD13  LEU  48          3HD1      LEU  48  -7.395  -4.955   3.697
  410   HD21  LEU  48          3HD2      LEU  48  -6.819  -5.611   5.992
  411   HD22  LEU  48          1HD2      LEU  48  -6.087  -7.182   6.321
  412   HD23  LEU  48          2HD2      LEU  48  -7.791  -7.078   5.875
  413    H    ASP  49           H        ASP  49  -4.331 -10.206   2.641
  414    HA   ASP  49           HA       ASP  49  -5.909 -12.490   2.229
  415    HB2  ASP  49           2HB      ASP  49  -4.509 -11.584   0.477
  416    HB3  ASP  49           1HB      ASP  49  -3.061 -11.894   1.428
  417    H    ASN  50           H        ASN  50  -2.827 -12.100   3.948
  418    HA   ASN  50           HA       ASN  50  -2.675 -14.932   4.481
  419    HB2  ASN  50           2HB      ASN  50  -0.883 -12.613   5.154
  420    HB3  ASN  50           1HB      ASN  50  -0.581 -14.238   5.760
  421   HD21  ASN  50          1HD2      ASN  50  -0.623 -12.181   2.964
  422   HD22  ASN  50          2HD2      ASN  50   0.182 -13.280   1.895
  423    H    HIS  51           H        HIS  51  -3.439 -12.023   6.344
  424    HA   HIS  51           HA       HIS  51  -3.552 -13.605   8.793
  425    HB2  HIS  51           2HB      HIS  51  -3.904 -10.658   8.238
  426    HB3  HIS  51           1HB      HIS  51  -4.245 -11.365   9.812
  427    HD1  HIS  51           1HD      HIS  51  -2.285 -11.875  11.323
  428    HD2  HIS  51           2HD      HIS  51  -1.114 -10.731   7.495
  429    HE1  HIS  51           1HE      HIS  51   0.194 -11.462  11.463
  430    HE2  HIS  51           2HE      HIS  51   0.908 -10.880   9.119
  431    H    ASP  52           H        ASP  52  -5.786 -11.252   7.334
  432    HA   ASP  52           HA       ASP  52  -7.994 -11.261   6.890
  433    HB2  ASP  52           2HB      ASP  52  -7.426 -13.198   5.562
  434    HB3  ASP  52           1HB      ASP  52  -7.620 -14.251   6.959
  435    H    LYS  53           H        LYS  53  -9.702 -10.783   8.071
  436    HA   LYS  53           HA       LYS  53 -10.400 -12.520  10.334
  437    HB2  LYS  53           2HB      LYS  53 -10.251  -9.502  10.394
  438    HB3  LYS  53           1HB      LYS  53 -11.108 -10.453  11.601
  439    HG2  LYS  53           2HG      LYS  53  -8.968 -11.622  12.102
  440    HG3  LYS  53           1HG      LYS  53  -8.160 -10.502  11.005
  441    HD2  LYS  53           2HD      LYS  53  -7.924  -9.755  13.304
  442    HD3  LYS  53           1HD      LYS  53  -8.913  -8.618  12.388
  443    HE2  LYS  53           2HE      LYS  53  -9.819  -9.055  14.633
  444    HE3  LYS  53           1HE      LYS  53 -10.934  -9.541  13.357
  445    HZ1  LYS  53           3HZ      LYS  53 -10.352 -11.814  13.681
  446    HZ2  LYS  53           1HZ      LYS  53 -10.730 -11.163  15.197
  447    HZ3  LYS  53           2HZ      LYS  53  -9.110 -11.421  14.765
  448    H    GLN  54           H        GLN  54 -11.461  -9.878   8.217
  449    HA   GLN  54           HA       GLN  54 -13.934 -11.278   7.694
  450    HB2  GLN  54           2HB      GLN  54 -15.381  -9.369   8.263
  451    HB3  GLN  54           1HB      GLN  54 -14.547  -9.988   9.682
  452    HG2  GLN  54           2HG      GLN  54 -12.913  -8.175   9.497
  453    HG3  GLN  54           1HG      GLN  54 -13.794  -7.540   8.107
  454   HE21  GLN  54          1HE2      GLN  54 -14.322  -5.608   9.034
  455   HE22  GLN  54          2HE2      GLN  54 -15.426  -5.455  10.367
  456    H    LYS  55           H        LYS  55 -14.795 -10.754   5.708
  457    HA   LYS  55           HA       LYS  55 -12.983  -9.100   4.067
  458    HB2  LYS  55           2HB      LYS  55 -14.735 -11.331   3.055
  459    HB3  LYS  55           1HB      LYS  55 -13.327 -10.616   2.282
  460    HG2  LYS  55           2HG      LYS  55 -11.894 -11.567   4.027
  461    HG3  LYS  55           1HG      LYS  55 -13.312 -12.303   4.775
  462    HD2  LYS  55           2HD      LYS  55 -13.704 -13.500   2.602
  463    HD3  LYS  55           1HD      LYS  55 -12.125 -12.909   2.076
  464    HE2  LYS  55           2HE      LYS  55 -11.155 -13.983   4.130
  465    HE3  LYS  55           1HE      LYS  55 -12.733 -14.721   4.406
  466    HZ1  LYS  55           3HZ      LYS  55 -11.448 -16.302   3.267
  467    HZ2  LYS  55           1HZ      LYS  55 -10.883 -15.167   2.136
  468    HZ3  LYS  55           2HZ      LYS  55 -12.503 -15.664   2.103
  469    H    LYS  56           H        LYS  56 -15.694  -8.547   5.506
  470    HA   LYS  56           HA       LYS  56 -17.211  -7.640   3.178
  471    HB2  LYS  56           2HB      LYS  56 -19.042  -7.203   4.800
  472    HB3  LYS  56           1HB      LYS  56 -18.542  -8.885   4.740
  473    HG2  LYS  56           2HG      LYS  56 -17.267  -8.591   6.795
  474    HG3  LYS  56           1HG      LYS  56 -17.747  -6.893   6.851
  475    HD2  LYS  56           2HD      LYS  56 -20.087  -7.545   7.023
  476    HD3  LYS  56           1HD      LYS  56 -19.632  -9.246   6.920
  477    HE2  LYS  56           2HE      LYS  56 -18.338  -9.000   8.998
  478    HE3  LYS  56           1HE      LYS  56 -18.858  -7.319   9.107
  479    HZ1  LYS  56           3HZ      LYS  56 -20.199  -8.803  10.491
  480    HZ2  LYS  56           1HZ      LYS  56 -20.675  -9.668   9.112
  481    HZ3  LYS  56           2HZ      LYS  56 -21.134  -8.046   9.297
  482    H1   GLY   2           1HT      GLY   2  19.501  20.775  11.316
  483    H2   GLY   2           2HT      GLY   2  18.515  19.499  11.847
  484    H3   GLY   2           3HT      GLY   2  18.183  20.264  10.375
  485    HA2  GLY   2           1HA      GLY   2  20.148  19.406   9.378
  486    HA3  GLY   2           2HA      GLY   2  20.673  18.761  10.929
  487    H    ARG   3           H        ARG   3  20.806  16.684   9.965
  488    HA   ARG   3           HA       ARG   3  18.182  15.365   9.905
  489    HB2  ARG   3           2HB      ARG   3  20.482  15.007   7.992
  490    HB3  ARG   3           1HB      ARG   3  19.267  13.755   8.218
  491    HG2  ARG   3           2HG      ARG   3  17.523  15.232   7.485
  492    HG3  ARG   3           1HG      ARG   3  18.652  16.585   7.399
  493    HD2  ARG   3           2HD      ARG   3  19.008  14.074   5.790
  494    HD3  ARG   3           1HD      ARG   3  18.056  15.442   5.211
  495    HE   ARG   3           HE       ARG   3  20.494  16.490   5.972
  496   HH11  ARG   3          1HH1      ARG   3  19.391  14.071   3.667
  497   HH12  ARG   3          2HH1      ARG   3  20.681  14.391   2.540
  498   HH21  ARG   3          1HH2      ARG   3  22.148  16.941   4.457
  499   HH22  ARG   3          2HH2      ARG   3  22.203  16.053   2.961
  500    HA   PRO   4           HA       PRO   4  20.739  13.743  13.308
  501    HB2  PRO   4           2HB      PRO   4  18.613  12.817  14.754
  502    HB3  PRO   4           1HB      PRO   4  19.186  14.487  14.806
  503    HG2  PRO   4           2HG      PRO   4  16.915  13.306  13.253
  504    HG3  PRO   4           1HG      PRO   4  16.982  14.833  14.155
  505    HD2  PRO   4           2HD      PRO   4  17.229  14.756  11.478
  506    HD3  PRO   4           1HD      PRO   4  18.127  15.927  12.465
  507    H    TYR   5           H        TYR   5  21.126  11.706  14.213
  508    HA   TYR   5           HA       TYR   5  21.529   9.499  14.186
  509    HB2  TYR   5           2HB      TYR   5  18.807   9.329  12.873
  510    HB3  TYR   5           1HB      TYR   5  19.729   7.944  13.453
  511    HD1  TYR   5           1HD      TYR   5  20.189   7.732  15.914
  512    HD2  TYR   5           2HD      TYR   5  17.522  10.651  14.353
  513    HE1  TYR   5           1HE      TYR   5  19.207   8.021  18.150
  514    HE2  TYR   5           2HE      TYR   5  16.533  10.951  16.582
  515    HH   TYR   5           HH       TYR   5  17.960   9.721  19.415
  516    H    LYS   6           H        LYS   6  19.699   9.135  11.236
  517    HA   LYS   6           HA       LYS   6  22.024   9.585   9.587
  518    HB2  LYS   6           2HB      LYS   6  21.608   7.324   8.423
  519    HB3  LYS   6           1HB      LYS   6  22.522   7.344   9.922
  520    HG2  LYS   6           2HG      LYS   6  20.595   6.581  11.155
  521    HG3  LYS   6           1HG      LYS   6  19.594   6.682   9.706
  522    HD2  LYS   6           2HD      LYS   6  20.776   4.910   8.661
  523    HD3  LYS   6           1HD      LYS   6  22.050   4.953   9.883
  524    HE2  LYS   6           2HE      LYS   6  20.487   3.058  10.169
  525    HE3  LYS   6           1HE      LYS   6  20.543   4.134  11.562
  526    HZ1  LYS   6           3HZ      LYS   6  18.434   4.120   9.464
  527    HZ2  LYS   6           1HZ      LYS   6  18.494   5.164  10.804
  528    HZ3  LYS   6           2HZ      LYS   6  18.286   3.501  11.033
  529    H    LEU   7           H        LEU   7  20.788  11.278   8.861
  530    HA   LEU   7           HA       LEU   7  19.423  12.387   7.435
  531    HB2  LEU   7           2HB      LEU   7  19.255   9.712   6.040
  532    HB3  LEU   7           1HB      LEU   7  18.736  11.237   5.359
  533    HG   LEU   7           HG       LEU   7  20.777  10.923   4.342
  534   HD11  LEU   7          1HD1      LEU   7  21.461  12.466   6.831
  535   HD12  LEU   7          2HD1      LEU   7  20.740  13.114   5.358
  536   HD13  LEU   7          3HD1      LEU   7  22.383  12.472   5.330
  537   HD21  LEU   7          3HD2      LEU   7  22.792  10.073   5.453
  538   HD22  LEU   7          1HD2      LEU   7  21.452   8.929   5.534
  539   HD23  LEU   7          2HD2      LEU   7  21.877   9.889   6.950
  540    H    LEU   8           H        LEU   8  18.248  11.538   9.751
  541    HA   LEU   8           HA       LEU   8  16.238  11.389  10.775
  542    HB2  LEU   8           2HB      LEU   8  15.347  11.884   7.982
  543    HB3  LEU   8           1HB      LEU   8  14.166  11.248   9.108
  544    HG   LEU   8           HG       LEU   8  13.936  13.625   9.031
  545   HD11  LEU   8          1HD1      LEU   8  13.634  12.606  11.214
  546   HD12  LEU   8          2HD1      LEU   8  14.314  14.227  11.367
  547   HD13  LEU   8          3HD1      LEU   8  15.349  12.813  11.565
  548   HD21  LEU   8          3HD2      LEU   8  15.751  15.149   9.604
  549   HD22  LEU   8          1HD2      LEU   8  16.141  14.192   8.174
  550   HD23  LEU   8          2HD2      LEU   8  16.861  13.784   9.731
  551    H    ASN   9           H        ASN   9  15.160   9.752  11.649
  552    HA   ASN   9           HA       ASN   9  15.511   7.114  10.505
  553    HB2  ASN   9           2HB      ASN   9  14.611   6.292  12.633
  554    HB3  ASN   9           1HB      ASN   9  15.902   7.452  12.911
  555   HD21  ASN   9          1HD2      ASN   9  13.775   6.617  14.681
  556   HD22  ASN   9          2HD2      ASN   9  12.898   8.050  15.109
  557    H    GLY  10           H        GLY  10  13.625   9.246   9.456
  558    HA2  GLY  10           2HA      GLY  10  11.485   7.471   8.800
  559    HA3  GLY  10           1HA      GLY  10  10.978   8.755   9.892
  560    H    ILE  11           H        ILE  11  11.342   7.861   6.738
  561    HA   ILE  11           HA       ILE  11  11.452  10.632   5.744
  562    HB   ILE  11           HB       ILE  11  11.621   8.119   4.071
  563   HG12  ILE  11          2HG1      ILE  11  13.456   8.100   5.704
  564   HG13  ILE  11          1HG1      ILE  11  14.051   8.363   4.067
  565   HG21  ILE  11          1HG2      ILE  11  12.708   9.627   2.444
  566   HG22  ILE  11          2HG2      ILE  11  12.411  10.979   3.536
  567   HG23  ILE  11          3HG2      ILE  11  11.054  10.108   2.822
  568   HD11  ILE  11          3HD1      ILE  11  15.208   9.783   5.651
  569   HD12  ILE  11          1HD1      ILE  11  13.673  10.467   6.187
  570   HD13  ILE  11          2HD1      ILE  11  14.241  10.760   4.544
  571    H    LYS  12           H        LYS  12   9.838  11.188   4.036
  572    HA   LYS  12           HA       LYS  12   7.279  10.175   5.028
  573    HB2  LYS  12           2HB      LYS  12   7.710  12.580   5.219
  574    HB3  LYS  12           1HB      LYS  12   7.943  12.687   3.483
  575    HG2  LYS  12           2HG      LYS  12   5.754  13.505   4.106
  576    HG3  LYS  12           1HG      LYS  12   5.610  12.039   3.133
  577    HD2  LYS  12           2HD      LYS  12   5.239  10.724   5.149
  578    HD3  LYS  12           1HD      LYS  12   5.437  12.167   6.145
  579    HE2  LYS  12           2HE      LYS  12   3.277  11.713   4.086
  580    HE3  LYS  12           1HE      LYS  12   3.077  11.615   5.835
  581    HZ1  LYS  12           3HZ      LYS  12   3.690  14.028   4.218
  582    HZ2  LYS  12           1HZ      LYS  12   3.807  13.993   5.910
  583    HZ3  LYS  12           2HZ      LYS  12   2.312  13.729   5.156
  584    H    LEU  13           H        LEU  13   6.090   8.907   3.892
  585    HA   LEU  13           HA       LEU  13   6.100   9.123   0.968
  586    HB2  LEU  13           2HB      LEU  13   5.663   6.662   0.895
  587    HB3  LEU  13           1HB      LEU  13   7.286   7.108   1.380
  588    HG   LEU  13           HG       LEU  13   5.223   6.502   3.473
  589   HD11  LEU  13          1HD1      LEU  13   5.928   4.155   3.437
  590   HD12  LEU  13          2HD1      LEU  13   6.884   4.466   1.987
  591   HD13  LEU  13          3HD1      LEU  13   5.128   4.615   1.934
  592   HD21  LEU  13          3HD2      LEU  13   7.367   7.470   4.165
  593   HD22  LEU  13          1HD2      LEU  13   8.222   6.163   3.344
  594   HD23  LEU  13          2HD2      LEU  13   7.201   5.808   4.737
  595    H    GLY  14           H        GLY  14   4.122   9.207   0.053
  596    HA2  GLY  14           2HA      GLY  14   1.856   9.085   1.909
  597    HA3  GLY  14           1HA      GLY  14   1.887   9.995   0.407
  598    H    VAL  15           H        VAL  15   0.536   7.409   1.806
  599    HA   VAL  15           HA       VAL  15   0.514   5.793  -0.652
  600    HB   VAL  15           HB       VAL  15  -0.381   4.996   2.143
  601   HG11  VAL  15          1HG1      VAL  15  -0.460   2.725   1.261
  602   HG12  VAL  15          2HG1      VAL  15  -0.037   3.325  -0.342
  603   HG13  VAL  15          3HG1      VAL  15  -1.575   3.780   0.393
  604   HG21  VAL  15          3HG2      VAL  15   2.129   4.303   0.625
  605   HG22  VAL  15          1HG2      VAL  15   1.638   3.604   2.169
  606   HG23  VAL  15          2HG2      VAL  15   2.020   5.322   2.061
  607    H    TYR  16           H        TYR  16  -1.535   5.024  -1.445
  608    HA   TYR  16           HA       TYR  16  -3.856   6.617  -0.582
  609    HB2  TYR  16           2HB      TYR  16  -2.664   6.317  -3.264
  610    HB3  TYR  16           1HB      TYR  16  -4.415   6.127  -3.200
  611    HD1  TYR  16           2HD      TYR  16  -5.553   7.979  -1.599
  612    HD2  TYR  16           1HD      TYR  16  -1.913   8.446  -3.747
  613    HE1  TYR  16           2HE      TYR  16  -5.839  10.409  -1.528
  614    HE2  TYR  16           1HE      TYR  16  -2.191  10.887  -3.690
  615    HH   TYR  16           HH       TYR  16  -3.982  12.527  -3.463
  616    H    ILE  17           H        ILE  17  -5.585   5.422  -0.037
  617    HA   ILE  17           HA       ILE  17  -5.969   2.835  -1.317
  618    HB   ILE  17           HB       ILE  17  -6.362   1.634   0.736
  619   HG12  ILE  17          2HG1      ILE  17  -5.495   4.149   2.172
  620   HG13  ILE  17          1HG1      ILE  17  -7.123   3.477   2.161
  621   HG21  ILE  17          1HG2      ILE  17  -4.073   1.516   1.605
  622   HG22  ILE  17          2HG2      ILE  17  -3.686   3.010   0.755
  623   HG23  ILE  17          3HG2      ILE  17  -4.117   1.564  -0.157
  624   HD11  ILE  17          3HD1      ILE  17  -6.295   1.477   3.304
  625   HD12  ILE  17          1HD1      ILE  17  -5.977   2.945   4.231
  626   HD13  ILE  17          2HD1      ILE  17  -4.674   2.168   3.326
  627    HA   PRO  18           HA       PRO  18 -10.241   3.717  -1.589
  628    HB2  PRO  18           2HB      PRO  18 -10.752   1.127  -0.207
  629    HB3  PRO  18           1HB      PRO  18 -11.367   1.718  -1.754
  630    HG2  PRO  18           2HG      PRO  18  -9.443  -0.119  -1.672
  631    HG3  PRO  18           1HG      PRO  18  -9.421   1.172  -2.889
  632    HD2  PRO  18           2HD      PRO  18  -7.776   0.864  -0.414
  633    HD3  PRO  18           1HD      PRO  18  -7.341   1.555  -1.994
  634    H    GLN  19           H        GLN  19 -12.155   4.243  -0.418
  635    HA   GLN  19           HA       GLN  19 -11.640   5.073   2.278
  636    HB2  GLN  19           2HB      GLN  19 -13.799   6.127   2.232
  637    HB3  GLN  19           1HB      GLN  19 -12.995   6.441   0.705
  638    HG2  GLN  19           2HG      GLN  19 -14.895   5.818  -0.251
  639    HG3  GLN  19           1HG      GLN  19 -14.439   4.170   0.173
  640   HE21  GLN  19          1HE2      GLN  19 -14.821   4.661   3.054
  641   HE22  GLN  19          2HE2      GLN  19 -16.534   4.680   3.298
  642    H    GLU  20           H        GLU  20 -13.473   2.503   0.718
  643    HA   GLU  20           HA       GLU  20 -14.677   1.416   3.020
  644    HB2  GLU  20           2HB      GLU  20 -14.178  -0.826   1.631
  645    HB3  GLU  20           1HB      GLU  20 -15.490   0.274   1.241
  646    HG2  GLU  20           2HG      GLU  20 -12.805   0.597  -0.037
  647    HG3  GLU  20           1HG      GLU  20 -13.957  -0.594  -0.642
  648    H    TRP  21           H        TRP  21 -11.408   1.469   1.953
  649    HA   TRP  21           HA       TRP  21 -10.501  -0.605   3.732
  650    HB2  TRP  21           2HB      TRP  21  -9.316   1.174   1.720
  651    HB3  TRP  21           1HB      TRP  21  -8.282   0.890   3.114
  652    HD1  TRP  21           HD       TRP  21 -10.545  -1.849   1.604
  653    HE1  TRP  21           1HE      TRP  21  -9.017  -3.703   0.662
  654    HE3  TRP  21           3HE      TRP  21  -6.051   0.399   2.353
  655    HZ2  TRP  21           2HZ      TRP  21  -6.227  -4.127   0.295
  656    HZ3  TRP  21           3HZ      TRP  21  -4.011  -0.762   1.682
  657    HH2  TRP  21           HH       TRP  21  -4.082  -2.966   0.690
  658    H    HIS  22           H        HIS  22 -10.440   2.946   3.628
  659    HA   HIS  22           HA       HIS  22  -9.234   3.335   6.133
  660    HB2  HIS  22           2HB      HIS  22 -11.093   4.997   4.466
  661    HB3  HIS  22           1HB      HIS  22 -10.696   5.507   6.106
  662    HD1  HIS  22           1HD      HIS  22  -8.702   6.945   6.293
  663    HD2  HIS  22           2HD      HIS  22  -8.593   4.576   2.871
  664    HE1  HIS  22           1HE      HIS  22  -6.624   7.638   5.051
  665    HE2  HIS  22           2HE      HIS  22  -6.546   6.152   3.014
  666    H    ASP  23           H        ASP  23 -12.531   2.675   5.200
  667    HA   ASP  23           HA       ASP  23 -13.826   3.027   7.638
  668    HB2  ASP  23           2HB      ASP  23 -14.960   2.665   5.489
  669    HB3  ASP  23           1HB      ASP  23 -14.364   1.010   5.448
  670    H    ARG  24           H        ARG  24 -12.721  -0.088   6.264
  671    HA   ARG  24           HA       ARG  24 -13.254  -1.495   8.697
  672    HB2  ARG  24           2HB      ARG  24 -11.520  -2.489   6.440
  673    HB3  ARG  24           1HB      ARG  24 -12.453  -3.441   7.580
  674    HG2  ARG  24           2HG      ARG  24 -13.636  -1.657   5.471
  675    HG3  ARG  24           1HG      ARG  24 -13.384  -3.391   5.298
  676    HD2  ARG  24           2HD      ARG  24 -14.805  -3.618   7.414
  677    HD3  ARG  24           1HD      ARG  24 -15.277  -1.943   7.123
  678    HE   ARG  24           HE       ARG  24 -16.063  -4.282   5.619
  679   HH11  ARG  24          1HH1      ARG  24 -15.905  -0.764   5.638
  680   HH12  ARG  24          2HH1      ARG  24 -16.931  -0.595   4.244
  681   HH21  ARG  24          1HH2      ARG  24 -17.362  -4.062   3.795
  682   HH22  ARG  24          2HH2      ARG  24 -17.755  -2.473   3.181
  683    H    LEU  25           H        LEU  25 -10.287  -0.580   6.981
  684    HA   LEU  25           HA       LEU  25  -8.558  -1.945   8.745
  685    HB2  LEU  25           2HB      LEU  25  -8.127   0.133   6.624
  686    HB3  LEU  25           1HB      LEU  25  -6.801  -0.410   7.629
  687    HG   LEU  25           HG       LEU  25  -6.847  -1.558   5.451
  688   HD11  LEU  25          1HD1      LEU  25  -6.690  -3.853   6.300
  689   HD12  LEU  25          2HD1      LEU  25  -7.459  -3.341   7.803
  690   HD13  LEU  25          3HD1      LEU  25  -5.878  -2.700   7.358
  691   HD21  LEU  25          3HD2      LEU  25  -8.592  -3.164   4.919
  692   HD22  LEU  25          1HD2      LEU  25  -9.259  -1.537   5.062
  693   HD23  LEU  25          2HD2      LEU  25  -9.480  -2.699   6.371
  694    H    MET  26           H        MET  26  -9.599   1.467   8.594
  695    HA   MET  26           HA       MET  26  -7.852   2.268  10.691
  696    HB2  MET  26           2HB      MET  26  -9.342   3.675   8.945
  697    HB3  MET  26           1HB      MET  26 -10.389   3.759  10.354
  698    HG2  MET  26           2HG      MET  26  -7.492   4.565  10.357
  699    HG3  MET  26           1HG      MET  26  -8.831   5.678  10.094
  700    HE1  MET  26           3HE      MET  26  -7.607   6.623  13.692
  701    HE2  MET  26           1HE      MET  26  -7.975   7.224  12.075
  702    HE3  MET  26           2HE      MET  26  -6.616   6.128  12.319
  703    H    GLU  27           H        GLU  27 -11.089   0.845  10.631
  704    HA   GLU  27           HA       GLU  27 -11.582   1.251  13.396
  705    HB2  GLU  27           2HB      GLU  27 -13.323   0.523  11.739
  706    HB3  GLU  27           1HB      GLU  27 -12.571  -1.070  11.728
  707    HG2  GLU  27           2HG      GLU  27 -13.027  -1.321  14.100
  708    HG3  GLU  27           1HG      GLU  27 -13.731   0.293  14.150
  709    H    ILE  28           H        ILE  28  -9.906  -1.244  11.579
  710    HA   ILE  28           HA       ILE  28  -9.249  -2.905  13.786
  711    HB   ILE  28           HB       ILE  28  -7.724  -2.503  11.198
  712   HG12  ILE  28          2HG1      ILE  28  -9.766  -4.611  11.937
  713   HG13  ILE  28          1HG1      ILE  28 -10.078  -3.227  10.896
  714   HG21  ILE  28          1HG2      ILE  28  -6.378  -3.547  12.974
  715   HG22  ILE  28          2HG2      ILE  28  -6.706  -4.657  11.642
  716   HG23  ILE  28          3HG2      ILE  28  -7.608  -4.798  13.152
  717   HD11  ILE  28          3HD1      ILE  28  -9.713  -5.242   9.595
  718   HD12  ILE  28          1HD1      ILE  28  -8.128  -5.452  10.339
  719   HD13  ILE  28          2HD1      ILE  28  -8.435  -4.064   9.295
  720    H    ALA  29           H        ALA  29  -7.846  -0.059  12.345
  721    HA   ALA  29           HA       ALA  29  -5.438   0.038  13.799
  722    HB1  ALA  29           1HB      ALA  29  -5.331   2.365  13.109
  723    HB2  ALA  29           2HB      ALA  29  -7.035   2.329  12.656
  724    HB3  ALA  29           3HB      ALA  29  -5.867   1.352  11.768
  725    H    LYS  30           H        LYS  30  -8.710   0.969  14.590
  726    HA   LYS  30           HA       LYS  30  -7.991   2.415  16.977
  727    HB2  LYS  30           2HB      LYS  30 -10.654   1.190  16.211
  728    HB3  LYS  30           1HB      LYS  30 -10.386   2.394  17.466
  729    HG2  LYS  30           2HG      LYS  30  -9.804   4.057  15.824
  730    HG3  LYS  30           1HG      LYS  30  -9.897   2.860  14.528
  731    HD2  LYS  30           2HD      LYS  30 -12.267   2.567  14.919
  732    HD3  LYS  30           1HD      LYS  30 -12.205   3.659  16.304
  733    HE2  LYS  30           2HE      LYS  30 -13.116   4.805  14.375
  734    HE3  LYS  30           1HE      LYS  30 -11.550   5.491  14.805
  735    HZ1  LYS  30           3HZ      LYS  30 -10.542   4.207  13.020
  736    HZ2  LYS  30           1HZ      LYS  30 -11.776   5.203  12.421
  737    HZ3  LYS  30           2HZ      LYS  30 -12.051   3.544  12.611
  738    H    GLU  31           H        GLU  31  -9.098  -0.752  16.081
  739    HA   GLU  31           HA       GLU  31  -9.464  -1.881  18.603
  740    HB2  GLU  31           2HB      GLU  31 -10.319  -2.866  16.546
  741    HB3  GLU  31           1HB      GLU  31  -8.685  -3.134  15.963
  742    HG2  GLU  31           2HG      GLU  31  -9.722  -5.183  16.752
  743    HG3  GLU  31           1HG      GLU  31  -8.300  -4.762  17.706
  744    H    LYS  32           H        LYS  32  -6.602  -1.731  16.516
  745    HA   LYS  32           HA       LYS  32  -5.031  -3.173  18.512
  746    HB2  LYS  32           2HB      LYS  32  -4.837  -2.725  15.618
  747    HB3  LYS  32           1HB      LYS  32  -3.299  -2.698  16.467
  748    HG2  LYS  32           2HG      LYS  32  -4.085  -4.920  15.501
  749    HG3  LYS  32           1HG      LYS  32  -3.498  -4.912  17.163
  750    HD2  LYS  32           2HD      LYS  32  -6.419  -4.542  16.697
  751    HD3  LYS  32           1HD      LYS  32  -5.736  -6.155  16.477
  752    HE2  LYS  32           2HE      LYS  32  -4.844  -6.106  18.741
  753    HE3  LYS  32           1HE      LYS  32  -5.446  -4.466  18.964
  754    HZ1  LYS  32           3HZ      LYS  32  -7.670  -5.234  18.878
  755    HZ2  LYS  32           1HZ      LYS  32  -6.847  -6.251  19.952
  756    HZ3  LYS  32           2HZ      LYS  32  -7.199  -6.783  18.381
  757    H    ASN  33           H        ASN  33  -5.771  -0.025  17.947
  758    HA   ASN  33           HA       ASN  33  -4.964   1.951  18.730
  759    HB2  ASN  33           2HB      ASN  33  -3.084   0.152  20.272
  760    HB3  ASN  33           1HB      ASN  33  -3.204   1.891  20.513
  761   HD21  ASN  33          1HD2      ASN  33  -5.085   2.748  21.430
  762   HD22  ASN  33          2HD2      ASN  33  -6.167   1.755  22.355
  763    H    LEU  34           H        LEU  34  -4.182   1.270  16.280
  764    HA   LEU  34           HA       LEU  34  -1.459   2.348  16.053
  765    HB2  LEU  34           2HB      LEU  34  -2.619   0.046  14.463
  766    HB3  LEU  34           1HB      LEU  34  -1.097   0.841  14.105
  767    HG   LEU  34           HG       LEU  34  -1.696  -0.697  16.637
  768   HD11  LEU  34          1HD1      LEU  34  -0.029  -1.447  14.240
  769   HD12  LEU  34          2HD1      LEU  34  -1.585  -2.151  14.682
  770   HD13  LEU  34          3HD1      LEU  34  -0.184  -2.381  15.727
  771   HD21  LEU  34          3HD2      LEU  34   0.879   0.494  15.610
  772   HD22  LEU  34          1HD2      LEU  34   0.701  -0.490  17.061
  773   HD23  LEU  34          2HD2      LEU  34  -0.068   1.094  16.972
  774    H    THR  35           H        THR  35  -1.118   3.235  13.760
  775    HA   THR  35           HA       THR  35  -3.673   4.295  12.751
  776    HB   THR  35           HB       THR  35  -2.395   5.970  11.545
  777    HG1  THR  35           1HG      THR  35  -0.053   4.769  12.671
  778   HG21  THR  35          3HG2      THR  35  -1.386   7.192  13.411
  779   HG22  THR  35          1HG2      THR  35  -1.407   5.724  14.389
  780   HG23  THR  35          2HG2      THR  35  -2.924   6.467  13.880
  781    H    LEU  36           H        LEU  36  -3.952   4.327  10.366
  782    HA   LEU  36           HA       LEU  36  -3.453   1.823   9.210
  783    HB2  LEU  36           2HB      LEU  36  -4.340   2.684   7.166
  784    HB3  LEU  36           1HB      LEU  36  -5.289   3.309   8.496
  785    HG   LEU  36           HG       LEU  36  -3.146   4.900   7.084
  786   HD11  LEU  36          1HD1      LEU  36  -4.970   5.993   5.896
  787   HD12  LEU  36          2HD1      LEU  36  -6.128   4.896   6.649
  788   HD13  LEU  36          3HD1      LEU  36  -4.918   4.269   5.529
  789   HD21  LEU  36          3HD2      LEU  36  -5.375   5.690   8.964
  790   HD22  LEU  36          1HD2      LEU  36  -4.342   6.818   8.085
  791   HD23  LEU  36          2HD2      LEU  36  -3.643   5.747   9.297
  792    H    SER  37           H        SER  37  -1.679   4.836   9.061
  793    HA   SER  37           HA       SER  37   0.243   4.169   7.157
  794    HB2  SER  37           2HB      SER  37   0.693   5.746   9.705
  795    HB3  SER  37           1HB      SER  37   1.608   5.872   8.202
  796    HG   SER  37           HG       SER  37   0.213   7.464   7.929
  797    H    ASP  38           H        ASP  38   0.094   3.438  10.637
  798    HA   ASP  38           HA       ASP  38   2.578   2.103  10.814
  799    HB2  ASP  38           2HB      ASP  38   0.039   1.782  12.426
  800    HB3  ASP  38           1HB      ASP  38   1.521   0.908  12.790
  801    H    VAL  39           H        VAL  39  -0.700   0.921  10.217
  802    HA   VAL  39           HA       VAL  39  -0.062  -1.815  10.097
  803    HB   VAL  39           HB       VAL  39  -2.331  -0.379   8.698
  804   HG11  VAL  39          1HG1      VAL  39  -2.038  -3.273   9.489
  805   HG12  VAL  39          2HG1      VAL  39  -1.979  -2.634   7.846
  806   HG13  VAL  39          3HG1      VAL  39  -3.474  -2.536   8.776
  807   HG21  VAL  39          3HG2      VAL  39  -2.312   0.094  11.090
  808   HG22  VAL  39          1HG2      VAL  39  -2.229  -1.633  11.441
  809   HG23  VAL  39          2HG2      VAL  39  -3.663  -0.958  10.669
  810    H    CYS  40           H        CYS  40   0.002   0.722   7.679
  811    HA   CYS  40           HA       CYS  40   0.204  -0.936   5.408
  812    HB2  CYS  40           2HB      CYS  40  -0.304   1.626   5.683
  813    HB3  CYS  40           1HB      CYS  40   1.436   1.812   5.487
  814    HG   CYS  40           HG       CYS  40  -0.076  -0.093   3.172
  815    H    ARG  41           H        ARG  41   2.795   0.919   7.062
  816    HA   ARG  41           HA       ARG  41   4.903  -0.363   5.778
  817    HB2  ARG  41           2HB      ARG  41   6.292   0.556   7.645
  818    HB3  ARG  41           1HB      ARG  41   5.307   1.732   6.798
  819    HG2  ARG  41           2HG      ARG  41   4.882   2.419   8.892
  820    HG3  ARG  41           1HG      ARG  41   3.644   1.166   8.808
  821    HD2  ARG  41           2HD      ARG  41   5.111  -0.406   9.925
  822    HD3  ARG  41           1HD      ARG  41   6.419   0.784   9.930
  823    HE   ARG  41           HE       ARG  41   4.011   1.678  11.236
  824   HH11  ARG  41          1HH1      ARG  41   7.098   0.076  11.663
  825   HH12  ARG  41          2HH1      ARG  41   7.114   0.305  13.387
  826   HH21  ARG  41          1HH2      ARG  41   4.044   2.007  13.494
  827   HH22  ARG  41          2HH2      ARG  41   5.381   1.384  14.420
  828    H    LEU  42           H        LEU  42   3.207  -1.229   8.785
  829    HA   LEU  42           HA       LEU  42   5.022  -3.298   9.499
  830    HB2  LEU  42           2HB      LEU  42   2.095  -2.947  10.164
  831    HB3  LEU  42           1HB      LEU  42   3.123  -4.185  10.863
  832    HG   LEU  42           HG       LEU  42   3.547  -1.208  11.164
  833   HD11  LEU  42          1HD1      LEU  42   2.471  -3.251  13.113
  834   HD12  LEU  42          2HD1      LEU  42   1.553  -1.952  12.352
  835   HD13  LEU  42          3HD1      LEU  42   2.845  -1.570  13.488
  836   HD21  LEU  42          3HD2      LEU  42   5.620  -2.499  11.249
  837   HD22  LEU  42          1HD2      LEU  42   4.918  -3.560  12.470
  838   HD23  LEU  42          2HD2      LEU  42   5.203  -1.859  12.838
  839    H    ALA  43           H        ALA  43   2.491  -3.024   7.203
  840    HA   ALA  43           HA       ALA  43   2.003  -5.788   6.841
  841    HB1  ALA  43           1HB      ALA  43   0.395  -4.061   6.188
  842    HB2  ALA  43           2HB      ALA  43   0.801  -5.131   4.847
  843    HB3  ALA  43           3HB      ALA  43   1.505  -3.517   4.929
  844    H    ILE  44           H        ILE  44   4.209  -3.452   5.254
  845    HA   ILE  44           HA       ILE  44   5.070  -5.388   3.334
  846    HB   ILE  44           HB       ILE  44   6.978  -3.943   2.833
  847   HG12  ILE  44          2HG1      ILE  44   5.906  -2.153   5.020
  848   HG13  ILE  44          1HG1      ILE  44   7.416  -3.062   5.084
  849   HG21  ILE  44          1HG2      ILE  44   4.384  -2.450   3.035
  850   HG22  ILE  44          2HG2      ILE  44   4.839  -3.573   1.752
  851   HG23  ILE  44          3HG2      ILE  44   5.728  -2.063   1.960
  852   HD11  ILE  44          3HD1      ILE  44   6.775  -0.868   3.119
  853   HD12  ILE  44          1HD1      ILE  44   8.286  -1.774   3.214
  854   HD13  ILE  44          2HD1      ILE  44   7.809  -0.720   4.543
  855    H    LYS  45           H        LYS  45   5.998  -4.628   6.599
  856    HA   LYS  45           HA       LYS  45   8.363  -6.121   6.687
  857    HB2  LYS  45           2HB      LYS  45   7.817  -4.761   8.570
  858    HB3  LYS  45           1HB      LYS  45   6.276  -5.575   8.796
  859    HG2  LYS  45           2HG      LYS  45   7.315  -7.525   9.628
  860    HG3  LYS  45           1HG      LYS  45   8.908  -6.993   9.091
  861    HD2  LYS  45           2HD      LYS  45   7.317  -5.447  11.119
  862    HD3  LYS  45           1HD      LYS  45   8.371  -6.785  11.581
  863    HE2  LYS  45           2HE      LYS  45   9.263  -4.372  10.005
  864    HE3  LYS  45           1HE      LYS  45   9.450  -4.550  11.750
  865    HZ1  LYS  45           3HZ      LYS  45  11.468  -5.156  10.516
  866    HZ2  LYS  45           1HZ      LYS  45  10.620  -6.394   9.729
  867    HZ3  LYS  45           2HZ      LYS  45  10.851  -6.461  11.406
  868    H    GLU  46           H        GLU  46   4.978  -7.101   7.057
  869    HA   GLU  46           HA       GLU  46   5.514  -9.878   7.433
  870    HB2  GLU  46           2HB      GLU  46   3.029  -8.563   6.305
  871    HB3  GLU  46           1HB      GLU  46   3.135 -10.191   6.956
  872    HG2  GLU  46           2HG      GLU  46   3.661  -7.723   8.585
  873    HG3  GLU  46           1HG      GLU  46   2.075  -8.475   8.442
  874    H    TYR  47           H        TYR  47   5.008  -7.750   4.739
  875    HA   TYR  47           HA       TYR  47   4.584  -9.609   2.698
  876    HB2  TYR  47           2HB      TYR  47   4.168  -7.153   2.576
  877    HB3  TYR  47           1HB      TYR  47   5.905  -6.894   2.499
  878    HD1  TYR  47           1HD      TYR  47   3.218  -8.791   0.751
  879    HD2  TYR  47           2HD      TYR  47   6.862  -6.631   0.398
  880    HE1  TYR  47           1HE      TYR  47   3.068  -8.955  -1.691
  881    HE2  TYR  47           2HE      TYR  47   6.726  -6.798  -2.055
  882    HH   TYR  47           HH       TYR  47   3.850  -7.961  -3.645
  883    H    LEU  48           H        LEU  48   7.534  -8.059   3.869
  884    HA   LEU  48           HA       LEU  48   9.309  -9.320   2.076
  885    HB2  LEU  48           2HB      LEU  48   9.833  -8.226   4.838
  886    HB3  LEU  48           1HB      LEU  48  11.066  -8.644   3.667
  887    HG   LEU  48           HG       LEU  48   9.026  -6.436   3.382
  888   HD11  LEU  48          1HD1      LEU  48  10.796  -5.961   5.009
  889   HD12  LEU  48          2HD1      LEU  48  10.933  -4.946   3.574
  890   HD13  LEU  48          3HD1      LEU  48  12.011  -6.327   3.784
  891   HD21  LEU  48          3HD2      LEU  48  11.274  -7.264   1.552
  892   HD22  LEU  48          1HD2      LEU  48  10.265  -5.833   1.358
  893   HD23  LEU  48          2HD2      LEU  48   9.551  -7.441   1.224
  894    H    ASP  49           H        ASP  49   8.341 -10.084   5.386
  895    HA   ASP  49           HA       ASP  49  10.051 -12.285   5.737
  896    HB2  ASP  49           2HB      ASP  49   8.949 -11.095   7.573
  897    HB3  ASP  49           1HB      ASP  49   7.389 -11.717   7.047
  898    H    ASN  50           H        ASN  50   6.790 -12.070   4.409
  899    HA   ASN  50           HA       ASN  50   6.366 -14.914   4.500
  900    HB2  ASN  50           2HB      ASN  50   4.808 -12.621   3.338
  901    HB3  ASN  50           1HB      ASN  50   4.333 -14.289   3.042
  902   HD21  ASN  50          1HD2      ASN  50   5.781 -13.253   6.048
  903   HD22  ASN  50          2HD2      ASN  50   4.355 -13.413   7.017
  904    H    HIS  51           H        HIS  51   7.391 -12.623   2.041
  905    HA   HIS  51           HA       HIS  51   7.352 -14.701  -0.005
  906    HB2  HIS  51           2HB      HIS  51   8.139 -11.781  -0.091
  907    HB3  HIS  51           1HB      HIS  51   8.327 -12.867  -1.462
  908    HD1  HIS  51           1HD      HIS  51   6.516 -12.489  -3.094
  909    HD2  HIS  51           2HD      HIS  51   5.155 -12.082   0.823
  910    HE1  HIS  51           1HE      HIS  51   4.065 -11.948  -3.273
  911    HE2  HIS  51           2HE      HIS  51   3.250 -11.697  -0.899
  912    H    ASP  52           H        ASP  52   9.723 -12.536   1.491
  913    HA   ASP  52           HA       ASP  52  11.890 -12.719   2.017
  914    HB2  ASP  52           2HB      ASP  52  11.100 -14.204   3.626
  915    HB3  ASP  52           1HB      ASP  52  10.918 -15.517   2.467
  916    H    LYS  53           H        LYS  53  13.077 -12.198   0.324
  917    HA   LYS  53           HA       LYS  53  14.252 -14.444  -1.170
  918    HB2  LYS  53           2HB      LYS  53  14.033 -11.552  -2.037
  919    HB3  LYS  53           1HB      LYS  53  14.778 -12.846  -2.963
  920    HG2  LYS  53           2HG      LYS  53  12.649 -13.952  -3.214
  921    HG3  LYS  53           1HG      LYS  53  11.874 -12.751  -2.176
  922    HD2  LYS  53           2HD      LYS  53  11.393 -12.176  -4.447
  923    HD3  LYS  53           1HD      LYS  53  12.549 -10.999  -3.822
  924    HE2  LYS  53           2HE      LYS  53  13.229 -11.604  -6.032
  925    HE3  LYS  53           1HE      LYS  53  14.370 -12.320  -4.898
  926    HZ1  LYS  53           3HZ      LYS  53  13.661 -13.823  -6.718
  927    HZ2  LYS  53           1HZ      LYS  53  12.082 -13.787  -6.096
  928    HZ3  LYS  53           2HZ      LYS  53  13.349 -14.442  -5.172
  929    H    GLN  54           H        GLN  54  14.715 -11.999   1.114
  930    HA   GLN  54           HA       GLN  54  17.566 -12.387   1.223
  931    HB2  GLN  54           2HB      GLN  54  18.117 -10.001   0.924
  932    HB3  GLN  54           1HB      GLN  54  17.432 -10.704  -0.536
  933    HG2  GLN  54           2HG      GLN  54  15.239  -9.726   0.074
  934    HG3  GLN  54           1HG      GLN  54  16.012  -8.939   1.449
  935   HE21  GLN  54          1HE2      GLN  54  15.571  -6.880   0.723
  936   HE22  GLN  54          2HE2      GLN  54  16.364  -6.178  -0.644
  937    H    LYS  55           H        LYS  55  18.463 -11.660   3.185
  938    HA   LYS  55           HA       LYS  55  16.527 -10.738   5.199
  939    HB2  LYS  55           2HB      LYS  55  19.099 -12.273   5.356
  940    HB3  LYS  55           1HB      LYS  55  18.568 -11.342   6.746
  941    HG2  LYS  55           2HG      LYS  55  17.895 -13.635   6.985
  942    HG3  LYS  55           1HG      LYS  55  16.468 -12.620   6.778
  943    HD2  LYS  55           2HD      LYS  55  16.279 -13.292   4.469
  944    HD3  LYS  55           1HD      LYS  55  17.784 -14.206   4.580
  945    HE2  LYS  55           2HE      LYS  55  16.787 -15.727   6.179
  946    HE3  LYS  55           1HE      LYS  55  15.302 -14.778   6.198
  947    HZ1  LYS  55           3HZ      LYS  55  16.380 -16.118   3.779
  948    HZ2  LYS  55           1HZ      LYS  55  14.871 -15.360   3.938
  949    HZ3  LYS  55           2HZ      LYS  55  15.199 -16.794   4.788
  950    H    LYS  56           H        LYS  56  18.845  -9.611   3.161
  951    HA   LYS  56           HA       LYS  56  19.791  -7.512   4.963
  952    HB2  LYS  56           2HB      LYS  56  21.442  -7.075   3.078
  953    HB3  LYS  56           1HB      LYS  56  21.631  -8.594   3.942
  954    HG2  LYS  56           2HG      LYS  56  20.388  -9.725   2.115
  955    HG3  LYS  56           1HG      LYS  56  20.379  -8.198   1.232
  956    HD2  LYS  56           2HD      LYS  56  22.827  -8.189   1.235
  957    HD3  LYS  56           1HD      LYS  56  22.829  -9.719   2.118
  958    HE2  LYS  56           2HE      LYS  56  21.624 -10.770   0.241
  959    HE3  LYS  56           1HE      LYS  56  21.696  -9.244  -0.639
  960    HZ1  LYS  56           3HZ      LYS  56  24.016 -10.890   0.220
  961    HZ2  LYS  56           1HZ      LYS  56  24.124  -9.383  -0.558
  962    HZ3  LYS  56           2HZ      LYS  56  23.439 -10.710  -1.367
  Start of MODEL   14
    1    H1   GLY   2           1HT      GLY   2 -13.829   7.232 -10.498
    2    H2   GLY   2           2HT      GLY   2 -13.918   7.336  -8.808
    3    H3   GLY   2           3HT      GLY   2 -14.139   8.725  -9.754
    4    HA2  GLY   2           1HA      GLY   2 -16.153   7.776 -10.707
    5    HA3  GLY   2           2HA      GLY   2 -15.936   6.367  -9.677
    6    H    ARG   3           H        ARG   3 -17.955   6.747  -8.665
    7    HA   ARG   3           HA       ARG   3 -17.767   8.514  -6.412
    8    HB2  ARG   3           2HB      ARG   3 -18.501  10.110  -8.112
    9    HB3  ARG   3           1HB      ARG   3 -19.855   9.069  -8.526
   10    HG2  ARG   3           2HG      ARG   3 -20.841   9.416  -6.351
   11    HG3  ARG   3           1HG      ARG   3 -19.444  10.368  -5.842
   12    HD2  ARG   3           2HD      ARG   3 -21.355  11.777  -6.489
   13    HD3  ARG   3           1HD      ARG   3 -19.939  12.049  -7.504
   14    HE   ARG   3           HE       ARG   3 -21.589  10.122  -8.726
   15   HH11  ARG   3          1HH1      ARG   3 -21.671  13.538  -7.906
   16   HH12  ARG   3          2HH1      ARG   3 -22.568  13.981  -9.326
   17   HH21  ARG   3          1HH2      ARG   3 -22.796  10.715 -10.579
   18   HH22  ARG   3          2HH2      ARG   3 -23.219  12.383 -10.834
   19    HA   PRO   4           HA       PRO   4 -20.372   4.775  -5.540
   20    HB2  PRO   4           2HB      PRO   4 -18.826   4.914  -3.034
   21    HB3  PRO   4           1HB      PRO   4 -19.108   3.537  -4.102
   22    HG2  PRO   4           2HG      PRO   4 -16.706   4.731  -3.933
   23    HG3  PRO   4           1HG      PRO   4 -17.309   4.044  -5.453
   24    HD2  PRO   4           2HD      PRO   4 -17.208   6.902  -4.570
   25    HD3  PRO   4           1HD      PRO   4 -16.887   6.204  -6.171
   26    H    TYR   5           H        TYR   5 -19.183   7.158  -3.180
   27    HA   TYR   5           HA       TYR   5 -21.916   8.066  -2.689
   28    HB2  TYR   5           2HB      TYR   5 -20.025   7.208  -0.483
   29    HB3  TYR   5           1HB      TYR   5 -21.522   8.091  -0.225
   30    HD1  TYR   5           1HD      TYR   5 -23.639   6.865  -1.408
   31    HD2  TYR   5           2HD      TYR   5 -20.078   4.959  -0.072
   32    HE1  TYR   5           1HE      TYR   5 -24.856   4.741  -1.204
   33    HE2  TYR   5           2HE      TYR   5 -21.286   2.834   0.137
   34    HH   TYR   5           HH       TYR   5 -23.885   2.228   0.529
   35    H    LYS   6           H        LYS   6 -18.813   8.573  -1.046
   36    HA   LYS   6           HA       LYS   6 -19.166  11.445  -1.215
   37    HB2  LYS   6           2HB      LYS   6 -17.045  11.468   0.137
   38    HB3  LYS   6           1HB      LYS   6 -18.391  10.613   0.878
   39    HG2  LYS   6           2HG      LYS   6 -17.449   8.509   0.424
   40    HG3  LYS   6           1HG      LYS   6 -16.290   9.190  -0.719
   41    HD2  LYS   6           2HD      LYS   6 -16.176  10.212   2.057
   42    HD3  LYS   6           1HD      LYS   6 -15.662   8.543   1.811
   43    HE2  LYS   6           2HE      LYS   6 -13.782  10.106   1.668
   44    HE3  LYS   6           1HE      LYS   6 -14.046   9.262   0.146
   45    HZ1  LYS   6           3HZ      LYS   6 -13.600  11.606  -0.203
   46    HZ2  LYS   6           1HZ      LYS   6 -14.928  12.034   0.763
   47    HZ3  LYS   6           2HZ      LYS   6 -15.170  11.223  -0.706
   48    H    LEU   7           H        LEU   7 -18.899  10.509  -3.689
   49    HA   LEU   7           HA       LEU   7 -17.820  10.696  -5.661
   50    HB2  LEU   7           2HB      LEU   7 -17.559  13.037  -4.938
   51    HB3  LEU   7           1HB      LEU   7 -16.040  12.625  -4.165
   52    HG   LEU   7           HG       LEU   7 -15.144  11.974  -6.408
   53   HD11  LEU   7          1HD1      LEU   7 -17.702  13.221  -7.405
   54   HD12  LEU   7          2HD1      LEU   7 -17.263  11.517  -7.517
   55   HD13  LEU   7          3HD1      LEU   7 -16.336  12.726  -8.403
   56   HD21  LEU   7          3HD2      LEU   7 -14.651  14.155  -5.443
   57   HD22  LEU   7          1HD2      LEU   7 -16.128  14.812  -6.150
   58   HD23  LEU   7          2HD2      LEU   7 -14.818  14.263  -7.194
   59    H    LEU   8           H        LEU   8 -14.809  11.349  -4.018
   60    HA   LEU   8           HA       LEU   8 -13.711   8.977  -5.290
   61    HB2  LEU   8           2HB      LEU   8 -12.354  11.257  -3.852
   62    HB3  LEU   8           1HB      LEU   8 -11.525   9.945  -4.667
   63    HG   LEU   8           HG       LEU   8 -13.281  12.015  -5.989
   64   HD11  LEU   8          1HD1      LEU   8 -11.194  12.787  -6.999
   65   HD12  LEU   8          2HD1      LEU   8 -10.295  11.602  -6.050
   66   HD13  LEU   8          3HD1      LEU   8 -11.149  12.917  -5.242
   67   HD21  LEU   8          3HD2      LEU   8 -13.440   9.879  -7.129
   68   HD22  LEU   8          1HD2      LEU   8 -11.682   9.747  -7.169
   69   HD23  LEU   8          2HD2      LEU   8 -12.492  11.015  -8.089
   70    H    ASN   9           H        ASN   9 -13.832   7.166  -4.160
   71    HA   ASN   9           HA       ASN   9 -13.643   7.185  -1.276
   72    HB2  ASN   9           2HB      ASN   9 -13.870   4.721  -1.457
   73    HB3  ASN   9           1HB      ASN   9 -15.171   5.584  -2.264
   74   HD21  ASN   9          1HD2      ASN   9 -13.939   2.869  -2.572
   75   HD22  ASN   9          2HD2      ASN   9 -13.608   2.737  -4.267
   76    H    GLY  10           H        GLY  10 -11.531   8.336  -1.681
   77    HA2  GLY  10           2HA      GLY  10  -9.386   6.464  -1.202
   78    HA3  GLY  10           1HA      GLY  10  -9.227   7.381  -2.696
   79    H    ILE  11           H        ILE  11  -7.957   7.330   0.144
   80    HA   ILE  11           HA       ILE  11  -8.077  10.237   0.597
   81    HB   ILE  11           HB       ILE  11  -8.161   8.142   2.791
   82   HG12  ILE  11          2HG1      ILE  11 -10.367   9.472   3.290
   83   HG13  ILE  11          1HG1      ILE  11 -10.250   9.925   1.592
   84   HG21  ILE  11          1HG2      ILE  11  -6.866  10.073   3.472
   85   HG22  ILE  11          2HG2      ILE  11  -8.409  10.045   4.325
   86   HG23  ILE  11          3HG2      ILE  11  -8.168  11.152   2.974
   87   HD11  ILE  11          3HD1      ILE  11 -10.270   7.564   0.965
   88   HD12  ILE  11          1HD1      ILE  11 -11.710   8.008   1.885
   89   HD13  ILE  11          2HD1      ILE  11 -10.404   7.116   2.667
   90    H    LYS  12           H        LYS  12  -6.175  11.137   1.527
   91    HA   LYS  12           HA       LYS  12  -3.828   9.523   0.840
   92    HB2  LYS  12           2HB      LYS  12  -4.126  11.630  -0.382
   93    HB3  LYS  12           1HB      LYS  12  -4.147  12.517   1.131
   94    HG2  LYS  12           2HG      LYS  12  -1.766  10.850   0.509
   95    HG3  LYS  12           1HG      LYS  12  -1.990  12.366  -0.364
   96    HD2  LYS  12           2HD      LYS  12  -1.870  12.032   2.633
   97    HD3  LYS  12           1HD      LYS  12  -0.604  12.709   1.608
   98    HE2  LYS  12           2HE      LYS  12  -3.377  13.847   1.927
   99    HE3  LYS  12           1HE      LYS  12  -1.942  14.434   2.763
  100    HZ1  LYS  12           3HZ      LYS  12  -0.988  15.126   0.721
  101    HZ2  LYS  12           1HZ      LYS  12  -2.581  15.707   0.729
  102    HZ3  LYS  12           2HZ      LYS  12  -2.179  14.344  -0.199
  103    H    LEU  13           H        LEU  13  -2.436   8.918   2.296
  104    HA   LEU  13           HA       LEU  13  -2.692   9.983   5.023
  105    HB2  LEU  13           2HB      LEU  13  -1.904   7.571   5.634
  106    HB3  LEU  13           1HB      LEU  13  -3.594   7.882   5.293
  107    HG   LEU  13           HG       LEU  13  -1.810   6.943   3.077
  108   HD11  LEU  13          1HD1      LEU  13  -1.358   5.406   4.915
  109   HD12  LEU  13          2HD1      LEU  13  -2.328   4.623   3.667
  110   HD13  LEU  13          3HD1      LEU  13  -3.089   5.174   5.159
  111   HD21  LEU  13          3HD2      LEU  13  -4.063   7.637   2.493
  112   HD22  LEU  13          1HD2      LEU  13  -4.736   6.585   3.745
  113   HD23  LEU  13          2HD2      LEU  13  -3.930   5.881   2.344
  114    H    GLY  14           H        GLY  14  -0.817  10.053   6.273
  115    HA2  GLY  14           2HA      GLY  14   1.640  10.179   4.668
  116    HA3  GLY  14           1HA      GLY  14   1.352  11.023   6.186
  117    H    VAL  15           H        VAL  15   2.824   8.419   4.747
  118    HA   VAL  15           HA       VAL  15   2.874   6.830   7.227
  119    HB   VAL  15           HB       VAL  15   3.843   6.025   4.476
  120   HG11  VAL  15          1HG1      VAL  15   4.900   4.760   6.246
  121   HG12  VAL  15          2HG1      VAL  15   3.746   3.739   5.387
  122   HG13  VAL  15          3HG1      VAL  15   3.330   4.405   6.965
  123   HG21  VAL  15          3HG2      VAL  15   1.226   5.377   5.821
  124   HG22  VAL  15          1HG2      VAL  15   1.790   4.716   4.287
  125   HG23  VAL  15          2HG2      VAL  15   1.443   6.440   4.431
  126    H    TYR  16           H        TYR  16   4.776   6.405   8.268
  127    HA   TYR  16           HA       TYR  16   7.200   7.716   7.231
  128    HB2  TYR  16           2HB      TYR  16   5.837   8.070   9.729
  129    HB3  TYR  16           1HB      TYR  16   7.413   7.347  10.036
  130    HD1  TYR  16           2HD      TYR  16   8.983   8.588   7.851
  131    HD2  TYR  16           1HD      TYR  16   6.115  10.271  10.496
  132    HE1  TYR  16           2HE      TYR  16  10.049  10.772   7.588
  133    HE2  TYR  16           1HE      TYR  16   7.177  12.475  10.253
  134    HH   TYR  16           HH       TYR  16   9.372  13.394   9.664
  135    H    ILE  17           H        ILE  17   8.786   6.314   6.752
  136    HA   ILE  17           HA       ILE  17   9.118   3.979   8.479
  137    HB   ILE  17           HB       ILE  17   9.399   2.412   6.698
  138   HG12  ILE  17          2HG1      ILE  17   8.773   4.659   4.770
  139   HG13  ILE  17          1HG1      ILE  17  10.341   3.878   4.968
  140   HG21  ILE  17          1HG2      ILE  17   7.130   2.320   5.787
  141   HG22  ILE  17          2HG2      ILE  17   6.859   3.979   6.325
  142   HG23  ILE  17          3HG2      ILE  17   7.146   2.702   7.508
  143   HD11  ILE  17          3HD1      ILE  17   7.806   2.671   3.897
  144   HD12  ILE  17          1HD1      ILE  17   9.221   1.713   4.341
  145   HD13  ILE  17          2HD1      ILE  17   9.336   2.918   3.052
  146    HA   PRO  18           HA       PRO  18  13.321   4.989   8.645
  147    HB2  PRO  18           2HB      PRO  18  13.948   2.108   8.276
  148    HB3  PRO  18           1HB      PRO  18  14.360   3.194   9.608
  149    HG2  PRO  18           2HG      PRO  18  12.461   1.355   9.901
  150    HG3  PRO  18           1HG      PRO  18  12.275   2.974  10.605
  151    HD2  PRO  18           2HD      PRO  18  11.056   1.836   8.117
  152    HD3  PRO  18           1HD      PRO  18  10.320   2.868   9.365
  153    H    GLN  19           H        GLN  19  15.334   5.034   7.600
  154    HA   GLN  19           HA       GLN  19  15.189   5.338   4.806
  155    HB2  GLN  19           2HB      GLN  19  17.603   5.771   4.907
  156    HB3  GLN  19           1HB      GLN  19  16.738   6.645   6.162
  157    HG2  GLN  19           2HG      GLN  19  17.429   5.001   7.809
  158    HG3  GLN  19           1HG      GLN  19  18.245   4.073   6.550
  159   HE21  GLN  19          1HE2      GLN  19  20.203   4.770   5.766
  160   HE22  GLN  19          2HE2      GLN  19  21.112   6.045   6.500
  161    H    GLU  20           H        GLU  20  16.275   2.685   6.814
  162    HA   GLU  20           HA       GLU  20  17.598   1.084   4.956
  163    HB2  GLU  20           2HB      GLU  20  15.682   0.133   7.100
  164    HB3  GLU  20           1HB      GLU  20  16.985  -0.796   6.372
  165    HG2  GLU  20           2HG      GLU  20  18.638   0.511   7.438
  166    HG3  GLU  20           1HG      GLU  20  17.457   1.720   7.941
  167    H    TRP  21           H        TRP  21  14.222   1.646   5.549
  168    HA   TRP  21           HA       TRP  21  13.253  -0.423   3.819
  169    HB2  TRP  21           2HB      TRP  21  11.958   1.942   5.168
  170    HB3  TRP  21           1HB      TRP  21  11.072   0.837   4.126
  171    HD1  TRP  21           HD       TRP  21  13.608  -0.397   6.779
  172    HE1  TRP  21           1HE      TRP  21  12.272  -1.729   8.545
  173    HE3  TRP  21           3HE      TRP  21   8.927   0.535   5.048
  174    HZ2  TRP  21           2HZ      TRP  21   9.522  -2.291   9.102
  175    HZ3  TRP  21           3HZ      TRP  21   7.000  -0.409   6.223
  176    HH2  TRP  21           HH       TRP  21   7.284  -1.779   8.193
  177    H    HIS  22           H        HIS  22  13.331   3.124   3.748
  178    HA   HIS  22           HA       HIS  22  12.088   3.495   1.302
  179    HB2  HIS  22           2HB      HIS  22  12.765   5.259   3.016
  180    HB3  HIS  22           1HB      HIS  22  14.361   5.226   2.268
  181    HD1  HIS  22           1HD      HIS  22  14.631   6.381  -0.002
  182    HD2  HIS  22           2HD      HIS  22  10.723   6.387   1.425
  183    HE1  HIS  22           1HE      HIS  22  13.373   7.995  -1.466
  184    HE2  HIS  22           2HE      HIS  22  11.069   8.138  -0.450
  185    H    ASP  23           H        ASP  23  15.539   3.011   1.983
  186    HA   ASP  23           HA       ASP  23  16.433   3.330  -0.668
  187    HB2  ASP  23           2HB      ASP  23  17.944   3.431   1.244
  188    HB3  ASP  23           1HB      ASP  23  17.660   1.723   1.575
  189    H    ARG  24           H        ARG  24  15.632   0.345   1.136
  190    HA   ARG  24           HA       ARG  24  16.344  -1.342  -1.079
  191    HB2  ARG  24           2HB      ARG  24  15.051  -1.807   1.588
  192    HB3  ARG  24           1HB      ARG  24  15.035  -3.078   0.379
  193    HG2  ARG  24           2HG      ARG  24  16.856  -3.334   1.996
  194    HG3  ARG  24           1HG      ARG  24  17.447  -3.139   0.346
  195    HD2  ARG  24           2HD      ARG  24  18.260  -1.017   0.752
  196    HD3  ARG  24           1HD      ARG  24  17.191  -0.754   2.129
  197    HE   ARG  24           HE       ARG  24  18.809  -2.789   2.934
  198   HH11  ARG  24          1HH1      ARG  24  19.517   0.366   1.567
  199   HH12  ARG  24          2HH1      ARG  24  20.904   0.616   2.590
  200   HH21  ARG  24          1HH2      ARG  24  20.621  -2.433   4.261
  201   HH22  ARG  24          2HH2      ARG  24  21.532  -0.961   4.092
  202    H    LEU  25           H        LEU  25  13.360  -0.021   0.182
  203    HA   LEU  25           HA       LEU  25  11.594  -1.547  -1.405
  204    HB2  LEU  25           2HB      LEU  25  11.401   0.872   0.280
  205    HB3  LEU  25           1HB      LEU  25  10.190   0.726  -0.977
  206    HG   LEU  25           HG       LEU  25   9.353  -0.165   1.124
  207   HD11  LEU  25          1HD1      LEU  25   8.667  -2.378   0.359
  208   HD12  LEU  25          2HD1      LEU  25   9.925  -2.344  -0.877
  209   HD13  LEU  25          3HD1      LEU  25   8.590  -1.194  -0.947
  210   HD21  LEU  25          3HD2      LEU  25  11.442  -0.798   2.179
  211   HD22  LEU  25          1HD2      LEU  25  11.687  -2.069   0.981
  212   HD23  LEU  25          2HD2      LEU  25  10.348  -2.182   2.123
  213    H    MET  26           H        MET  26  12.964   1.723  -1.853
  214    HA   MET  26           HA       MET  26  11.658   2.202  -4.301
  215    HB2  MET  26           2HB      MET  26  14.181   3.383  -3.153
  216    HB3  MET  26           1HB      MET  26  13.433   3.949  -4.640
  217    HG2  MET  26           2HG      MET  26  12.109   3.908  -1.941
  218    HG3  MET  26           1HG      MET  26  12.847   5.320  -2.693
  219    HE1  MET  26           3HE      MET  26  10.523   5.850  -5.822
  220    HE2  MET  26           1HE      MET  26  12.004   4.895  -5.761
  221    HE3  MET  26           2HE      MET  26  11.924   6.451  -4.935
  222    H    GLU  27           H        GLU  27  14.580   0.452  -3.541
  223    HA   GLU  27           HA       GLU  27  15.645   0.287  -6.144
  224    HB2  GLU  27           2HB      GLU  27  16.861  -0.438  -4.120
  225    HB3  GLU  27           1HB      GLU  27  15.726  -1.764  -3.917
  226    HG2  GLU  27           2HG      GLU  27  17.705  -2.645  -4.869
  227    HG3  GLU  27           1HG      GLU  27  16.470  -2.641  -6.126
  228    H    ILE  28           H        ILE  28  13.510  -1.949  -4.388
  229    HA   ILE  28           HA       ILE  28  12.956  -3.620  -6.614
  230    HB   ILE  28           HB       ILE  28  11.238  -3.170  -4.163
  231   HG12  ILE  28          2HG1      ILE  28  13.417  -5.221  -4.633
  232   HG13  ILE  28          1HG1      ILE  28  13.582  -3.792  -3.617
  233   HG21  ILE  28          1HG2      ILE  28  10.066  -4.329  -5.961
  234   HG22  ILE  28          2HG2      ILE  28  10.398  -5.426  -4.621
  235   HG23  ILE  28          3HG2      ILE  28  11.383  -5.496  -6.082
  236   HD11  ILE  28          3HD1      ILE  28  11.825  -4.641  -2.150
  237   HD12  ILE  28          1HD1      ILE  28  13.171  -5.772  -2.285
  238   HD13  ILE  28          2HD1      ILE  28  11.673  -6.075  -3.167
  239    H    ALA  29           H        ALA  29  11.554  -0.680  -5.388
  240    HA   ALA  29           HA       ALA  29   9.091  -0.718  -6.728
  241    HB1  ALA  29           1HB      ALA  29  10.721   1.680  -5.902
  242    HB2  ALA  29           2HB      ALA  29   9.613   0.786  -4.859
  243    HB3  ALA  29           3HB      ALA  29   8.995   1.659  -6.262
  244    H    LYS  30           H        LYS  30  12.287   0.378  -7.758
  245    HA   LYS  30           HA       LYS  30  11.254   1.520 -10.179
  246    HB2  LYS  30           2HB      LYS  30  14.055   0.924  -9.236
  247    HB3  LYS  30           1HB      LYS  30  13.715   1.574 -10.838
  248    HG2  LYS  30           2HG      LYS  30  13.070   2.869  -8.195
  249    HG3  LYS  30           1HG      LYS  30  14.327   3.361  -9.335
  250    HD2  LYS  30           2HD      LYS  30  12.558   3.791 -11.023
  251    HD3  LYS  30           1HD      LYS  30  11.344   3.410  -9.801
  252    HE2  LYS  30           2HE      LYS  30  11.576   5.792  -9.942
  253    HE3  LYS  30           1HE      LYS  30  12.251   5.249  -8.406
  254    HZ1  LYS  30           3HZ      LYS  30  14.452   5.454  -9.284
  255    HZ2  LYS  30           1HZ      LYS  30  13.632   6.912  -9.567
  256    HZ3  LYS  30           2HZ      LYS  30  13.864   5.812 -10.837
  257    H    GLU  31           H        GLU  31  12.634  -1.520  -9.179
  258    HA   GLU  31           HA       GLU  31  12.973  -2.673 -11.719
  259    HB2  GLU  31           2HB      GLU  31  13.541  -3.485  -9.227
  260    HB3  GLU  31           1HB      GLU  31  12.051  -4.383  -9.463
  261    HG2  GLU  31           2HG      GLU  31  14.418  -4.515 -11.316
  262    HG3  GLU  31           1HG      GLU  31  14.123  -5.645  -9.999
  263    H    LYS  32           H        LYS  32  10.189  -2.749  -9.480
  264    HA   LYS  32           HA       LYS  32   8.586  -4.186 -11.404
  265    HB2  LYS  32           2HB      LYS  32   7.858  -3.069  -8.699
  266    HB3  LYS  32           1HB      LYS  32   6.879  -4.188  -9.642
  267    HG2  LYS  32           2HG      LYS  32   9.429  -4.674  -8.159
  268    HG3  LYS  32           1HG      LYS  32   7.901  -5.557  -8.083
  269    HD2  LYS  32           2HD      LYS  32   8.310  -6.329 -10.414
  270    HD3  LYS  32           1HD      LYS  32   9.893  -5.546 -10.336
  271    HE2  LYS  32           2HE      LYS  32  10.491  -6.984  -8.434
  272    HE3  LYS  32           1HE      LYS  32   8.921  -7.779  -8.549
  273    HZ1  LYS  32           3HZ      LYS  32  11.041  -7.770 -10.631
  274    HZ2  LYS  32           1HZ      LYS  32   9.515  -8.491 -10.800
  275    HZ3  LYS  32           2HZ      LYS  32  10.609  -9.085  -9.650
  276    H    ASN  33           H        ASN  33   9.291  -0.966 -10.962
  277    HA   ASN  33           HA       ASN  33   8.453   0.973 -11.798
  278    HB2  ASN  33           2HB      ASN  33   6.740  -0.960 -13.355
  279    HB3  ASN  33           1HB      ASN  33   6.539   0.779 -13.511
  280   HD21  ASN  33          1HD2      ASN  33   9.638  -0.773 -13.006
  281   HD22  ASN  33          2HD2      ASN  33  10.275  -0.426 -14.572
  282    H    LEU  34           H        LEU  34   7.698   0.351  -9.326
  283    HA   LEU  34           HA       LEU  34   4.903   1.259  -9.139
  284    HB2  LEU  34           2HB      LEU  34   6.284  -0.798  -7.402
  285    HB3  LEU  34           1HB      LEU  34   4.688  -0.138  -7.096
  286    HG   LEU  34           HG       LEU  34   5.428  -1.762  -9.533
  287   HD11  LEU  34          1HD1      LEU  34   4.152  -3.562  -8.478
  288   HD12  LEU  34          2HD1      LEU  34   3.932  -2.565  -7.038
  289   HD13  LEU  34          3HD1      LEU  34   5.547  -3.106  -7.498
  290   HD21  LEU  34          3HD2      LEU  34   2.760  -0.834  -8.475
  291   HD22  LEU  34          1HD2      LEU  34   3.011  -1.867  -9.882
  292   HD23  LEU  34          2HD2      LEU  34   3.584  -0.199  -9.898
  293    H    THR  35           H        THR  35   4.477   2.291  -6.971
  294    HA   THR  35           HA       THR  35   6.883   3.688  -6.023
  295    HB   THR  35           HB       THR  35   5.331   5.318  -5.001
  296    HG1  THR  35           1HG      THR  35   3.256   3.926  -6.397
  297   HG21  THR  35          3HG2      THR  35   4.840   4.844  -7.945
  298   HG22  THR  35          1HG2      THR  35   6.175   5.760  -7.242
  299   HG23  THR  35          2HG2      THR  35   4.521   6.347  -7.080
  300    H    LEU  36           H        LEU  36   7.185   3.928  -3.714
  301    HA   LEU  36           HA       LEU  36   6.612   1.684  -2.133
  302    HB2  LEU  36           2HB      LEU  36   7.483   2.903  -0.268
  303    HB3  LEU  36           1HB      LEU  36   8.455   3.266  -1.676
  304    HG   LEU  36           HG       LEU  36   6.348   5.100  -0.513
  305   HD11  LEU  36          1HD1      LEU  36   9.355   5.171  -0.318
  306   HD12  LEU  36          2HD1      LEU  36   8.230   4.827   0.996
  307   HD13  LEU  36          3HD1      LEU  36   8.261   6.427   0.254
  308   HD21  LEU  36          3HD2      LEU  36   7.412   6.801  -1.958
  309   HD22  LEU  36          1HD2      LEU  36   6.642   5.508  -2.879
  310   HD23  LEU  36          2HD2      LEU  36   8.396   5.532  -2.689
  311    H    SER  37           H        SER  37   4.818   4.618  -2.690
  312    HA   SER  37           HA       SER  37   2.806   4.284  -0.782
  313    HB2  SER  37           2HB      SER  37   2.459   5.290  -3.618
  314    HB3  SER  37           1HB      SER  37   1.456   5.684  -2.220
  315    HG   SER  37           HG       SER  37   2.792   7.255  -1.853
  316    H    ASP  38           H        ASP  38   3.074   3.006  -4.096
  317    HA   ASP  38           HA       ASP  38   0.674   1.526  -4.061
  318    HB2  ASP  38           2HB      ASP  38   3.198   1.228  -5.691
  319    HB3  ASP  38           1HB      ASP  38   1.818   0.158  -5.898
  320    H    VAL  39           H        VAL  39   4.027   0.606  -3.350
  321    HA   VAL  39           HA       VAL  39   3.495  -2.128  -2.910
  322    HB   VAL  39           HB       VAL  39   5.737  -0.463  -1.745
  323   HG11  VAL  39          1HG1      VAL  39   5.468  -2.626  -0.622
  324   HG12  VAL  39          2HG1      VAL  39   6.956  -2.563  -1.567
  325   HG13  VAL  39          3HG1      VAL  39   5.558  -3.442  -2.184
  326   HG21  VAL  39          3HG2      VAL  39   5.613  -2.041  -4.310
  327   HG22  VAL  39          1HG2      VAL  39   7.050  -1.254  -3.658
  328   HG23  VAL  39          2HG2      VAL  39   5.668  -0.284  -4.168
  329    H    CYS  40           H        CYS  40   3.176   0.671  -0.853
  330    HA   CYS  40           HA       CYS  40   3.107  -0.731   1.619
  331    HB2  CYS  40           2HB      CYS  40   3.470   1.817   1.070
  332    HB3  CYS  40           1HB      CYS  40   1.713   1.914   1.195
  333    HG   CYS  40           HG       CYS  40   3.785   2.331   3.538
  334    H    ARG  41           H        ARG  41   0.453   0.637  -0.385
  335    HA   ARG  41           HA       ARG  41  -1.572  -0.618   1.110
  336    HB2  ARG  41           2HB      ARG  41  -3.020  -0.125  -0.889
  337    HB3  ARG  41           1HB      ARG  41  -2.207   1.256  -0.174
  338    HG2  ARG  41           2HG      ARG  41  -1.865   1.697  -2.368
  339    HG3  ARG  41           1HG      ARG  41  -0.420   0.741  -2.035
  340    HD2  ARG  41           2HD      ARG  41  -1.458  -1.230  -2.960
  341    HD3  ARG  41           1HD      ARG  41  -2.984  -0.363  -3.174
  342    HE   ARG  41           HE       ARG  41  -0.771   0.869  -4.523
  343   HH11  ARG  41          1HH1      ARG  41  -3.287  -1.561  -4.813
  344   HH12  ARG  41          2HH1      ARG  41  -3.273  -1.528  -6.549
  345   HH21  ARG  41          1HH2      ARG  41  -0.771   0.913  -6.801
  346   HH22  ARG  41          2HH2      ARG  41  -1.834  -0.161  -7.678
  347    H    LEU  42           H        LEU  42   0.382  -1.706  -1.605
  348    HA   LEU  42           HA       LEU  42  -1.103  -4.102  -2.054
  349    HB2  LEU  42           2HB      LEU  42   1.753  -3.376  -2.693
  350    HB3  LEU  42           1HB      LEU  42   1.010  -4.890  -3.170
  351    HG   LEU  42           HG       LEU  42   0.076  -2.151  -4.035
  352   HD11  LEU  42          1HD1      LEU  42   2.236  -2.729  -5.011
  353   HD12  LEU  42          2HD1      LEU  42   0.959  -2.776  -6.226
  354   HD13  LEU  42          3HD1      LEU  42   1.587  -4.278  -5.549
  355   HD21  LEU  42          3HD2      LEU  42  -1.340  -3.391  -5.596
  356   HD22  LEU  42          1HD2      LEU  42  -1.733  -3.782  -3.922
  357   HD23  LEU  42          2HD2      LEU  42  -0.788  -4.911  -4.893
  358    H    ALA  43           H        ALA  43   1.148  -3.073   0.295
  359    HA   ALA  43           HA       ALA  43   2.114  -5.594   1.121
  360    HB1  ALA  43           1HB      ALA  43   2.884  -4.435   3.113
  361    HB2  ALA  43           2HB      ALA  43   1.909  -3.031   2.678
  362    HB3  ALA  43           3HB      ALA  43   3.263  -3.514   1.657
  363    H    ILE  44           H        ILE  44  -0.427  -3.438   2.393
  364    HA   ILE  44           HA       ILE  44  -1.323  -5.344   4.306
  365    HB   ILE  44           HB       ILE  44  -3.481  -3.862   4.222
  366   HG12  ILE  44          2HG1      ILE  44  -1.421  -2.084   2.899
  367   HG13  ILE  44          1HG1      ILE  44  -2.934  -2.643   2.187
  368   HG21  ILE  44          1HG2      ILE  44  -0.828  -2.963   5.314
  369   HG22  ILE  44          2HG2      ILE  44  -2.019  -3.992   6.107
  370   HG23  ILE  44          3HG2      ILE  44  -2.389  -2.296   5.793
  371   HD11  ILE  44          3HD1      ILE  44  -4.187  -1.399   3.881
  372   HD12  ILE  44          1HD1      ILE  44  -3.131  -0.347   2.938
  373   HD13  ILE  44          2HD1      ILE  44  -2.670  -0.824   4.573
  374    H    LYS  45           H        LYS  45  -1.977  -4.811   0.958
  375    HA   LYS  45           HA       LYS  45  -4.291  -6.313   0.655
  376    HB2  LYS  45           2HB      LYS  45  -3.648  -5.376  -1.338
  377    HB3  LYS  45           1HB      LYS  45  -1.941  -5.660  -1.043
  378    HG2  LYS  45           2HG      LYS  45  -2.578  -6.970  -2.910
  379    HG3  LYS  45           1HG      LYS  45  -2.331  -8.070  -1.555
  380    HD2  LYS  45           2HD      LYS  45  -4.757  -8.145  -1.195
  381    HD3  LYS  45           1HD      LYS  45  -4.985  -7.067  -2.575
  382    HE2  LYS  45           2HE      LYS  45  -5.354  -9.381  -3.227
  383    HE3  LYS  45           1HE      LYS  45  -3.936  -8.725  -4.042
  384    HZ1  LYS  45           3HZ      LYS  45  -3.465 -10.928  -3.242
  385    HZ2  LYS  45           1HZ      LYS  45  -3.944 -10.518  -1.668
  386    HZ3  LYS  45           2HZ      LYS  45  -2.549  -9.823  -2.347
  387    H    GLU  46           H        GLU  46  -0.910  -7.383   0.744
  388    HA   GLU  46           HA       GLU  46  -1.527 -10.165   0.618
  389    HB2  GLU  46           2HB      GLU  46   0.664  -9.085  -0.037
  390    HB3  GLU  46           1HB      GLU  46   0.988  -8.855   1.675
  391    HG2  GLU  46           2HG      GLU  46   2.146 -10.798   0.847
  392    HG3  GLU  46           1HG      GLU  46   0.908 -11.272   2.010
  393    H    TYR  47           H        TYR  47  -0.977  -7.796   3.115
  394    HA   TYR  47           HA       TYR  47  -0.716  -9.478   5.327
  395    HB2  TYR  47           2HB      TYR  47  -0.189  -7.069   5.326
  396    HB3  TYR  47           1HB      TYR  47  -1.902  -6.701   5.198
  397    HD1  TYR  47           2HD      TYR  47   0.726  -8.030   7.403
  398    HD2  TYR  47           1HD      TYR  47  -3.321  -6.755   7.124
  399    HE1  TYR  47           2HE      TYR  47   0.575  -7.996   9.854
  400    HE2  TYR  47           1HE      TYR  47  -3.484  -6.712   9.577
  401    HH   TYR  47           HH       TYR  47  -0.749  -6.960  11.607
  402    H    LEU  48           H        LEU  48  -3.567  -8.046   3.804
  403    HA   LEU  48           HA       LEU  48  -5.462  -8.877   5.710
  404    HB2  LEU  48           2HB      LEU  48  -5.801  -8.310   2.765
  405    HB3  LEU  48           1HB      LEU  48  -7.129  -8.558   3.880
  406    HG   LEU  48           HG       LEU  48  -5.141  -6.289   3.943
  407   HD11  LEU  48          1HD1      LEU  48  -6.781  -6.096   2.161
  408   HD12  LEU  48          2HD1      LEU  48  -7.087  -4.905   3.425
  409   HD13  LEU  48          3HD1      LEU  48  -8.087  -6.352   3.318
  410   HD21  LEU  48          3HD2      LEU  48  -6.517  -5.393   5.763
  411   HD22  LEU  48          1HD2      LEU  48  -5.770  -6.929   6.203
  412   HD23  LEU  48          2HD2      LEU  48  -7.475  -6.874   5.761
  413    H    ASP  49           H        ASP  49  -4.458 -10.327   2.630
  414    HA   ASP  49           HA       ASP  49  -6.309 -12.427   2.671
  415    HB2  ASP  49           2HB      ASP  49  -3.682 -12.052   1.282
  416    HB3  ASP  49           1HB      ASP  49  -4.588 -13.556   1.113
  417    H    ASN  50           H        ASN  50  -3.078 -12.245   4.089
  418    HA   ASN  50           HA       ASN  50  -3.012 -15.054   4.627
  419    HB2  ASN  50           2HB      ASN  50  -1.223 -12.778   5.420
  420    HB3  ASN  50           1HB      ASN  50  -0.978 -14.411   6.041
  421   HD21  ASN  50          1HD2      ASN  50  -0.939 -12.374   3.236
  422   HD22  ASN  50          2HD2      ASN  50  -0.099 -13.466   2.195
  423    H    HIS  51           H        HIS  51  -4.071 -12.260   6.507
  424    HA   HIS  51           HA       HIS  51  -4.315 -14.048   8.809
  425    HB2  HIS  51           2HB      HIS  51  -4.582 -12.222  10.221
  426    HB3  HIS  51           1HB      HIS  51  -3.445 -11.631   9.024
  427    HD1  HIS  51           1HD      HIS  51  -6.908 -11.137  10.322
  428    HD2  HIS  51           2HD      HIS  51  -4.407  -9.546   7.401
  429    HE1  HIS  51           1HE      HIS  51  -7.981  -8.976   9.614
  430    HE2  HIS  51           2HE      HIS  51  -6.370  -7.959   7.965
  431    H    ASP  52           H        ASP  52  -6.240 -12.395   6.444
  432    HA   ASP  52           HA       ASP  52  -8.428 -12.485   5.853
  433    HB2  ASP  52           2HB      ASP  52  -7.508 -14.887   5.629
  434    HB3  ASP  52           1HB      ASP  52  -8.451 -15.239   7.071
  435    H    LYS  53           H        LYS  53 -10.521 -14.063   7.139
  436    HA   LYS  53           HA       LYS  53 -10.927 -12.538   9.608
  437    HB2  LYS  53           2HB      LYS  53 -12.701 -14.403   8.010
  438    HB3  LYS  53           1HB      LYS  53 -13.177 -13.701   9.550
  439    HG2  LYS  53           2HG      LYS  53 -12.305 -11.946   7.296
  440    HG3  LYS  53           1HG      LYS  53 -13.948 -12.584   7.357
  441    HD2  LYS  53           2HD      LYS  53 -12.649 -11.035   9.596
  442    HD3  LYS  53           1HD      LYS  53 -13.693 -10.314   8.368
  443    HE2  LYS  53           2HE      LYS  53 -15.490 -11.874   9.046
  444    HE3  LYS  53           1HE      LYS  53 -14.446 -12.475  10.330
  445    HZ1  LYS  53           3HZ      LYS  53 -16.140 -10.730  10.941
  446    HZ2  LYS  53           1HZ      LYS  53 -15.182  -9.614  10.105
  447    HZ3  LYS  53           2HZ      LYS  53 -14.553 -10.433  11.457
  448    H    GLN  54           H        GLN  54 -10.837 -15.839   8.387
  449    HA   GLN  54           HA       GLN  54  -9.349 -16.722  10.688
  450    HB2  GLN  54           2HB      GLN  54 -10.841 -18.549  11.283
  451    HB3  GLN  54           1HB      GLN  54 -11.686 -17.018  11.451
  452    HG2  GLN  54           2HG      GLN  54 -12.981 -17.396   9.531
  453    HG3  GLN  54           1HG      GLN  54 -11.930 -18.700   8.980
  454   HE21  GLN  54          1HE2      GLN  54 -11.715 -19.881  11.630
  455   HE22  GLN  54          2HE2      GLN  54 -13.224 -20.678  11.928
  456    H    LYS  55           H        LYS  55  -9.071 -19.308  10.304
  457    HA   LYS  55           HA       LYS  55  -8.778 -19.701   7.403
  458    HB2  LYS  55           2HB      LYS  55  -6.903 -20.560   9.601
  459    HB3  LYS  55           1HB      LYS  55  -6.835 -21.213   7.971
  460    HG2  LYS  55           2HG      LYS  55  -6.639 -18.749   7.234
  461    HG3  LYS  55           1HG      LYS  55  -6.215 -18.448   8.921
  462    HD2  LYS  55           2HD      LYS  55  -4.380 -20.030   8.768
  463    HD3  LYS  55           1HD      LYS  55  -4.828 -20.423   7.108
  464    HE2  LYS  55           2HE      LYS  55  -3.055 -18.920   6.885
  465    HE3  LYS  55           1HE      LYS  55  -4.493 -17.935   6.623
  466    HZ1  LYS  55           3HZ      LYS  55  -2.802 -18.073   9.054
  467    HZ2  LYS  55           1HZ      LYS  55  -4.328 -17.325   9.036
  468    HZ3  LYS  55           2HZ      LYS  55  -3.081 -16.734   8.051
  469    H    LYS  56           H        LYS  56  -9.799 -21.387   6.592
  470    HA   LYS  56           HA       LYS  56 -10.972 -23.319   8.460
  471    HB2  LYS  56           2HB      LYS  56 -11.674 -22.721   5.578
  472    HB3  LYS  56           1HB      LYS  56 -12.514 -23.861   6.617
  473    HG2  LYS  56           2HG      LYS  56 -13.185 -22.028   8.087
  474    HG3  LYS  56           1HG      LYS  56 -12.344 -20.887   7.037
  475    HD2  LYS  56           2HD      LYS  56 -14.634 -22.663   6.197
  476    HD3  LYS  56           1HD      LYS  56 -14.770 -20.952   6.609
  477    HE2  LYS  56           2HE      LYS  56 -13.305 -20.366   4.763
  478    HE3  LYS  56           1HE      LYS  56 -13.073 -22.071   4.377
  479    HZ1  LYS  56           3HZ      LYS  56 -14.699 -21.007   2.925
  480    HZ2  LYS  56           1HZ      LYS  56 -15.672 -20.627   4.263
  481    HZ3  LYS  56           2HZ      LYS  56 -15.411 -22.248   3.836
  482    H1   GLY   2           1HT      GLY   2  18.124  11.867  19.579
  483    H2   GLY   2           2HT      GLY   2  19.048  10.451  19.697
  484    H3   GLY   2           3HT      GLY   2  17.616  10.598  20.584
  485    HA2  GLY   2           1HA      GLY   2  17.276   9.170  18.682
  486    HA3  GLY   2           2HA      GLY   2  16.317  10.638  18.562
  487    H    ARG   3           H        ARG   3  19.688   9.707  17.788
  488    HA   ARG   3           HA       ARG   3  19.183  10.524  15.016
  489    HB2  ARG   3           2HB      ARG   3  20.218  12.439  16.301
  490    HB3  ARG   3           1HB      ARG   3  21.640  11.427  16.520
  491    HG2  ARG   3           2HG      ARG   3  21.457  11.210  13.900
  492    HG3  ARG   3           1HG      ARG   3  20.606  12.746  14.074
  493    HD2  ARG   3           2HD      ARG   3  22.908  13.221  13.689
  494    HD3  ARG   3           1HD      ARG   3  22.556  13.592  15.377
  495    HE   ARG   3           HE       ARG   3  23.455  11.068  15.536
  496   HH11  ARG   3          1HH1      ARG   3  24.777  13.941  14.010
  497   HH12  ARG   3          2HH1      ARG   3  26.423  13.394  14.127
  498   HH21  ARG   3          1HH2      ARG   3  25.612  10.358  15.705
  499   HH22  ARG   3          2HH2      ARG   3  26.895  11.350  15.071
  500    HA   PRO   4           HA       PRO   4  21.484   6.473  15.317
  501    HB2  PRO   4           2HB      PRO   4  19.744   5.930  12.982
  502    HB3  PRO   4           1HB      PRO   4  20.068   4.931  14.402
  503    HG2  PRO   4           2HG      PRO   4  17.723   6.162  14.110
  504    HG3  PRO   4           1HG      PRO   4  18.494   6.031  15.703
  505    HD2  PRO   4           2HD      PRO   4  18.396   8.372  13.833
  506    HD3  PRO   4           1HD      PRO   4  18.197   8.332  15.599
  507    H    TYR   5           H        TYR   5  20.445   8.171  12.345
  508    HA   TYR   5           HA       TYR   5  23.212   8.265  11.445
  509    HB2  TYR   5           2HB      TYR   5  21.027   6.810   9.975
  510    HB3  TYR   5           1HB      TYR   5  22.399   7.499   9.115
  511    HD1  TYR   5           1HD      TYR   5  24.699   6.699   9.642
  512    HD2  TYR   5           2HD      TYR   5  21.231   4.764  11.171
  513    HE1  TYR   5           1HE      TYR   5  26.045   4.716  10.164
  514    HE2  TYR   5           2HE      TYR   5  22.571   2.767  11.695
  515    HH   TYR   5           HH       TYR   5  24.649   1.709  11.040
  516    H    LYS   6           H        LYS   6  20.200   8.715   9.626
  517    HA   LYS   6           HA       LYS   6  21.105  11.389   8.920
  518    HB2  LYS   6           2HB      LYS   6  19.144  11.337   7.358
  519    HB3  LYS   6           1HB      LYS   6  20.338  10.078   7.082
  520    HG2  LYS   6           2HG      LYS   6  18.953   8.407   7.934
  521    HG3  LYS   6           1HG      LYS   6  17.904   9.570   8.751
  522    HD2  LYS   6           2HD      LYS   6  18.141   9.697   5.781
  523    HD3  LYS   6           1HD      LYS   6  17.177   8.403   6.491
  524    HE2  LYS   6           2HE      LYS   6  15.833  10.390   5.901
  525    HE3  LYS   6           1HE      LYS   6  15.768  10.008   7.620
  526    HZ1  LYS   6           3HZ      LYS   6  16.015  12.390   7.208
  527    HZ2  LYS   6           1HZ      LYS   6  17.480  12.113   6.394
  528    HZ3  LYS   6           2HZ      LYS   6  17.344  11.769   8.051
  529    H    LEU   7           H        LEU   7  20.653  11.656  11.401
  530    HA   LEU   7           HA       LEU   7  19.502  12.615  13.095
  531    HB2  LEU   7           2HB      LEU   7  19.107  14.411  11.408
  532    HB3  LEU   7           1HB      LEU   7  17.613  13.614  10.955
  533    HG   LEU   7           HG       LEU   7  16.772  13.960  13.272
  534   HD11  LEU   7          1HD1      LEU   7  19.267  15.625  13.589
  535   HD12  LEU   7          2HD1      LEU   7  18.940  14.093  14.402
  536   HD13  LEU   7          3HD1      LEU   7  17.939  15.504  14.744
  537   HD21  LEU   7          3HD2      LEU   7  16.195  15.510  11.478
  538   HD22  LEU   7          1HD2      LEU   7  17.642  16.456  11.822
  539   HD23  LEU   7          2HD2      LEU   7  16.352  16.352  13.020
  540    H    LEU   8           H        LEU   8  16.507  12.316  11.329
  541    HA   LEU   8           HA       LEU   8  15.715  10.095  13.049
  542    HB2  LEU   8           2HB      LEU   8  14.149  11.797  11.102
  543    HB3  LEU   8           1HB      LEU   8  13.468  10.433  11.968
  544    HG   LEU   8           HG       LEU   8  14.593  12.921  13.260
  545   HD11  LEU   8          1HD1      LEU   8  12.265  13.428  13.802
  546   HD12  LEU   8          2HD1      LEU   8  11.741  12.020  12.877
  547   HD13  LEU   8          3HD1      LEU   8  12.524  13.373  12.059
  548   HD21  LEU   8          3HD2      LEU   8  13.649  12.027  15.314
  549   HD22  LEU   8          1HD2      LEU   8  14.828  10.904  14.638
  550   HD23  LEU   8          2HD2      LEU   8  13.103  10.586  14.456
  551    H    ASN   9           H        ASN   9  15.910   8.065  12.340
  552    HA   ASN   9           HA       ASN   9  16.803   7.640   9.623
  553    HB2  ASN   9           2HB      ASN   9  17.165   5.295  10.335
  554    HB3  ASN   9           1HB      ASN   9  17.967   6.450  11.387
  555   HD21  ASN   9          1HD2      ASN   9  17.137   3.681  11.863
  556   HD22  ASN   9          2HD2      ASN   9  16.123   3.733  13.266
  557    H    GLY  10           H        GLY  10  14.460   8.547   9.212
  558    HA2  GLY  10           2HA      GLY  10  12.961   6.307   8.169
  559    HA3  GLY  10           1HA      GLY  10  12.128   7.222   9.422
  560    H    ILE  11           H        ILE  11  11.483   6.890   6.594
  561    HA   ILE  11           HA       ILE  11  11.691   9.692   5.692
  562    HB   ILE  11           HB       ILE  11  11.635   7.187   3.984
  563   HG12  ILE  11          2HG1      ILE  11  13.825   8.237   3.127
  564   HG13  ILE  11          1HG1      ILE  11  13.776   9.221   4.583
  565   HG21  ILE  11          1HG2      ILE  11  11.696  10.067   3.097
  566   HG22  ILE  11          2HG2      ILE  11  10.324   8.968   2.950
  567   HG23  ILE  11          3HG2      ILE  11  11.806   8.653   2.046
  568   HD11  ILE  11          3HD1      ILE  11  13.880   6.211   4.489
  569   HD12  ILE  11          1HD1      ILE  11  13.819   7.198   5.950
  570   HD13  ILE  11          2HD1      ILE  11  15.218   7.294   4.881
  571    H    LYS  12           H        LYS  12   9.833  10.549   4.607
  572    HA   LYS  12           HA       LYS  12   7.365   9.250   5.528
  573    HB2  LYS  12           2HB      LYS  12   8.259  11.851   5.786
  574    HB3  LYS  12           1HB      LYS  12   7.146  11.957   4.431
  575    HG2  LYS  12           2HG      LYS  12   6.470  10.817   7.135
  576    HG3  LYS  12           1HG      LYS  12   6.084  12.450   6.594
  577    HD2  LYS  12           2HD      LYS  12   5.112   9.907   5.290
  578    HD3  LYS  12           1HD      LYS  12   4.173  10.902   6.404
  579    HE2  LYS  12           2HE      LYS  12   5.293  11.834   3.762
  580    HE3  LYS  12           1HE      LYS  12   3.627  11.327   4.036
  581    HZ1  LYS  12           3HZ      LYS  12   4.947  13.590   5.440
  582    HZ2  LYS  12           1HZ      LYS  12   3.317  13.141   5.554
  583    HZ3  LYS  12           2HZ      LYS  12   3.932  13.754   4.097
  584    H    LEU  13           H        LEU  13   5.919   8.492   4.154
  585    HA   LEU  13           HA       LEU  13   6.211   9.081   1.288
  586    HB2  LEU  13           2HB      LEU  13   5.515   6.643   0.950
  587    HB3  LEU  13           1HB      LEU  13   7.169   6.954   1.440
  588    HG   LEU  13           HG       LEU  13   5.133   6.341   3.551
  589   HD11  LEU  13          1HD1      LEU  13   4.767   4.617   1.863
  590   HD12  LEU  13          2HD1      LEU  13   5.565   3.948   3.285
  591   HD13  LEU  13          3HD1      LEU  13   6.498   4.274   1.824
  592   HD21  LEU  13          3HD2      LEU  13   7.404   7.010   4.203
  593   HD22  LEU  13          1HD2      LEU  13   8.070   5.691   3.237
  594   HD23  LEU  13          2HD2      LEU  13   7.076   5.335   4.648
  595    H    GLY  14           H        GLY  14   4.332   9.300   0.138
  596    HA2  GLY  14           2HA      GLY  14   1.890   9.298   1.769
  597    HA3  GLY  14           1HA      GLY  14   2.140  10.264   0.327
  598    H    VAL  15           H        VAL  15   0.515   7.683   1.491
  599    HA   VAL  15           HA       VAL  15   0.498   6.304  -1.116
  600    HB   VAL  15           HB       VAL  15  -0.437   5.180   1.544
  601   HG11  VAL  15          1HG1      VAL  15  -1.545   4.174  -0.363
  602   HG12  VAL  15          2HG1      VAL  15  -0.418   3.033   0.375
  603   HG13  VAL  15          3HG1      VAL  15   0.017   3.859  -1.122
  604   HG21  VAL  15          3HG2      VAL  15   2.142   4.678   0.072
  605   HG22  VAL  15          1HG2      VAL  15   1.598   3.838   1.524
  606   HG23  VAL  15          2HG2      VAL  15   1.966   5.563   1.589
  607    H    TYR  16           H        TYR  16  -1.477   5.944  -2.152
  608    HA   TYR  16           HA       TYR  16  -3.830   7.238  -0.947
  609    HB2  TYR  16           2HB      TYR  16  -2.843   7.094  -3.713
  610    HB3  TYR  16           1HB      TYR  16  -4.558   6.725  -3.533
  611    HD1  TYR  16           2HD      TYR  16  -5.939   8.361  -2.143
  612    HD2  TYR  16           1HD      TYR  16  -2.178   9.339  -3.851
  613    HE1  TYR  16           2HE      TYR  16  -6.502  10.726  -1.968
  614    HE2  TYR  16           1HE      TYR  16  -2.732  11.732  -3.701
  615    HH   TYR  16           HH       TYR  16  -4.510  13.206  -3.449
  616    H    ILE  17           H        ILE  17  -5.441   5.969  -0.264
  617    HA   ILE  17           HA       ILE  17  -5.799   3.370  -1.555
  618    HB   ILE  17           HB       ILE  17  -5.952   2.129   0.484
  619   HG12  ILE  17          2HG1      ILE  17  -5.252   4.679   1.957
  620   HG13  ILE  17          1HG1      ILE  17  -6.835   3.900   1.955
  621   HG21  ILE  17          1HG2      ILE  17  -3.624   2.237   1.277
  622   HG22  ILE  17          2HG2      ILE  17  -3.419   3.762   0.414
  623   HG23  ILE  17          3HG2      ILE  17  -3.746   2.277  -0.481
  624   HD11  ILE  17          3HD1      ILE  17  -4.276   2.777   3.071
  625   HD12  ILE  17          1HD1      ILE  17  -5.804   1.903   2.978
  626   HD13  ILE  17          2HD1      ILE  17  -5.675   3.349   3.983
  627    HA   PRO  18           HA       PRO  18 -10.057   4.254  -1.579
  628    HB2  PRO  18           2HB      PRO  18 -10.565   1.436  -0.820
  629    HB3  PRO  18           1HB      PRO  18 -11.055   2.323  -2.268
  630    HG2  PRO  18           2HG      PRO  18  -9.121   0.497  -2.378
  631    HG3  PRO  18           1HG      PRO  18  -9.012   2.000  -3.315
  632    HD2  PRO  18           2HD      PRO  18  -7.664   1.269  -0.741
  633    HD3  PRO  18           1HD      PRO  18  -7.002   2.110  -2.160
  634    H    GLN  19           H        GLN  19 -11.974   4.438  -0.380
  635    HA   GLN  19           HA       GLN  19 -11.497   4.934   2.392
  636    HB2  GLN  19           2HB      GLN  19 -13.615   5.955   2.438
  637    HB3  GLN  19           1HB      GLN  19 -13.021   6.260   0.812
  638    HG2  GLN  19           2HG      GLN  19 -14.885   5.394   0.013
  639    HG3  GLN  19           1HG      GLN  19 -14.413   3.831   0.684
  640   HE21  GLN  19          1HE2      GLN  19 -15.204   3.240   2.740
  641   HE22  GLN  19          2HE2      GLN  19 -16.630   3.964   3.402
  642    H    GLU  20           H        GLU  20 -12.938   2.385   0.530
  643    HA   GLU  20           HA       GLU  20 -14.334   0.962   2.460
  644    HB2  GLU  20           2HB      GLU  20 -12.539  -0.232   0.333
  645    HB3  GLU  20           1HB      GLU  20 -13.876  -1.037   1.139
  646    HG2  GLU  20           2HG      GLU  20 -14.872  -0.471  -0.824
  647    HG3  GLU  20           1HG      GLU  20 -15.264   0.956   0.133
  648    H    TRP  21           H        TRP  21 -10.893   1.269   1.938
  649    HA   TRP  21           HA       TRP  21 -10.158  -0.706   3.894
  650    HB2  TRP  21           2HB      TRP  21  -8.648   1.416   2.389
  651    HB3  TRP  21           1HB      TRP  21  -7.890   0.495   3.679
  652    HD1  TRP  21           HD       TRP  21 -10.120  -1.761   1.736
  653    HE1  TRP  21           1HE      TRP  21  -8.706  -3.156   0.081
  654    HE3  TRP  21           3HE      TRP  21  -5.772   0.821   2.091
  655    HZ2  TRP  21           2HZ      TRP  21  -6.033  -3.121  -0.937
  656    HZ3  TRP  21           3HZ      TRP  21  -3.837   0.110   0.771
  657    HH2  TRP  21           HH       TRP  21  -3.944  -1.803  -0.700
  658    H    HIS  22           H        HIS  22 -10.303   2.839   3.726
  659    HA   HIS  22           HA       HIS  22  -9.286   3.398   6.263
  660    HB2  HIS  22           2HB      HIS  22 -11.365   4.858   4.628
  661    HB3  HIS  22           1HB      HIS  22 -10.737   5.478   6.154
  662    HD1  HIS  22           1HD      HIS  22  -8.673   6.855   6.022
  663    HD2  HIS  22           2HD      HIS  22  -9.246   4.540   2.610
  664    HE1  HIS  22           1HE      HIS  22  -6.897   7.581   4.396
  665    HE2  HIS  22           2HE      HIS  22  -7.360   6.275   2.293
  666    H    ASP  23           H        ASP  23 -12.560   2.570   5.250
  667    HA   ASP  23           HA       ASP  23 -13.862   2.867   7.699
  668    HB2  ASP  23           2HB      ASP  23 -14.879   2.421   5.419
  669    HB3  ASP  23           1HB      ASP  23 -14.455   0.728   5.649
  670    H    ARG  24           H        ARG  24 -12.707  -0.218   6.283
  671    HA   ARG  24           HA       ARG  24 -13.291  -1.625   8.704
  672    HB2  ARG  24           2HB      ARG  24 -12.056  -2.382   6.081
  673    HB3  ARG  24           1HB      ARG  24 -11.944  -3.486   7.440
  674    HG2  ARG  24           2HG      ARG  24 -13.802  -4.152   6.134
  675    HG3  ARG  24           1HG      ARG  24 -14.436  -3.415   7.602
  676    HD2  ARG  24           2HD      ARG  24 -14.961  -1.388   6.429
  677    HD3  ARG  24           1HD      ARG  24 -14.151  -1.972   4.973
  678    HE   ARG  24           HE       ARG  24 -16.085  -3.847   5.519
  679   HH11  ARG  24          1HH1      ARG  24 -16.060  -0.405   4.872
  680   HH12  ARG  24          2HH1      ARG  24 -17.642  -0.397   4.166
  681   HH21  ARG  24          1HH2      ARG  24 -18.155  -3.843   4.572
  682   HH22  ARG  24          2HH2      ARG  24 -18.832  -2.354   3.976
  683    H    LEU  25           H        LEU  25 -10.274  -0.682   7.092
  684    HA   LEU  25           HA       LEU  25  -8.590  -2.068   8.888
  685    HB2  LEU  25           2HB      LEU  25  -8.108   0.082   6.850
  686    HB3  LEU  25           1HB      LEU  25  -6.822  -0.439   7.918
  687    HG   LEU  25           HG       LEU  25  -6.659  -1.549   5.757
  688   HD11  LEU  25          1HD1      LEU  25  -6.577  -3.876   6.545
  689   HD12  LEU  25          2HD1      LEU  25  -7.470  -3.400   7.990
  690   HD13  LEU  25          3HD1      LEU  25  -5.860  -2.745   7.694
  691   HD21  LEU  25          3HD2      LEU  25  -9.374  -2.712   6.365
  692   HD22  LEU  25          1HD2      LEU  25  -8.337  -3.153   5.007
  693   HD23  LEU  25          2HD2      LEU  25  -9.011  -1.527   5.112
  694    H    MET  26           H        MET  26  -9.596   1.369   8.740
  695    HA   MET  26           HA       MET  26  -7.911   2.124  10.881
  696    HB2  MET  26           2HB      MET  26 -10.289   3.437   9.619
  697    HB3  MET  26           1HB      MET  26  -9.538   4.113  11.060
  698    HG2  MET  26           2HG      MET  26  -8.112   3.554   8.470
  699    HG3  MET  26           1HG      MET  26  -8.729   5.131   8.972
  700    HE1  MET  26           3HE      MET  26  -8.102   5.060  12.124
  701    HE2  MET  26           1HE      MET  26  -7.813   6.464  11.096
  702    HE3  MET  26           2HE      MET  26  -6.533   5.864  12.151
  703    H    GLU  27           H        GLU  27 -11.185   0.813  10.817
  704    HA   GLU  27           HA       GLU  27 -11.708   1.321  13.548
  705    HB2  GLU  27           2HB      GLU  27 -13.349   0.495  11.769
  706    HB3  GLU  27           1HB      GLU  27 -12.678  -1.108  12.048
  707    HG2  GLU  27           2HG      GLU  27 -14.758  -0.689  13.301
  708    HG3  GLU  27           1HG      GLU  27 -13.384  -1.063  14.342
  709    H    ILE  28           H        ILE  28 -10.031  -1.262  11.868
  710    HA   ILE  28           HA       ILE  28  -9.475  -2.872  14.141
  711    HB   ILE  28           HB       ILE  28  -7.946  -2.603  11.542
  712   HG12  ILE  28          2HG1      ILE  28  -9.992  -4.663  12.405
  713   HG13  ILE  28          1HG1      ILE  28 -10.298  -3.338  11.287
  714   HG21  ILE  28          1HG2      ILE  28  -6.972  -4.783  12.091
  715   HG22  ILE  28          2HG2      ILE  28  -7.791  -4.754  13.652
  716   HG23  ILE  28          3HG2      ILE  28  -6.544  -3.561  13.288
  717   HD11  ILE  28          3HD1      ILE  28  -9.948  -5.412  10.094
  718   HD12  ILE  28          1HD1      ILE  28  -8.373  -5.609  10.862
  719   HD13  ILE  28          2HD1      ILE  28  -8.646  -4.274   9.742
  720    H    ALA  29           H        ALA  29  -7.922  -0.155  12.595
  721    HA   ALA  29           HA       ALA  29  -5.483  -0.157  13.987
  722    HB1  ALA  29           1HB      ALA  29  -5.258   2.146  13.221
  723    HB2  ALA  29           2HB      ALA  29  -6.965   2.176  12.779
  724    HB3  ALA  29           3HB      ALA  29  -5.852   1.105  11.928
  725    H    LYS  30           H        LYS  30  -8.662   0.911  14.917
  726    HA   LYS  30           HA       LYS  30  -7.761   2.530  17.119
  727    HB2  LYS  30           2HB      LYS  30 -10.487   1.275  16.742
  728    HB3  LYS  30           1HB      LYS  30 -10.085   2.644  17.771
  729    HG2  LYS  30           2HG      LYS  30  -9.954   2.619  14.765
  730    HG3  LYS  30           1HG      LYS  30 -11.240   3.335  15.736
  731    HD2  LYS  30           2HD      LYS  30  -9.669   4.906  16.705
  732    HD3  LYS  30           1HD      LYS  30  -8.338   4.151  15.825
  733    HE2  LYS  30           2HE      LYS  30  -9.100   6.207  14.733
  734    HE3  LYS  30           1HE      LYS  30  -9.341   4.792  13.710
  735    HZ1  LYS  30           3HZ      LYS  30 -11.642   4.806  14.142
  736    HZ2  LYS  30           1HZ      LYS  30 -11.229   6.413  13.798
  737    HZ3  LYS  30           2HZ      LYS  30 -11.493   5.930  15.404
  738    H    GLU  31           H        GLU  31  -9.037  -0.695  16.643
  739    HA   GLU  31           HA       GLU  31  -9.119  -1.498  19.329
  740    HB2  GLU  31           2HB      GLU  31  -9.978  -2.587  17.050
  741    HB3  GLU  31           1HB      GLU  31  -8.475  -3.479  17.195
  742    HG2  GLU  31           2HG      GLU  31 -10.697  -3.408  19.226
  743    HG3  GLU  31           1HG      GLU  31 -10.337  -4.727  18.115
  744    H    LYS  32           H        LYS  32  -6.574  -1.751  16.872
  745    HA   LYS  32           HA       LYS  32  -4.868  -3.206  18.724
  746    HB2  LYS  32           2HB      LYS  32  -4.586  -2.578  15.792
  747    HB3  LYS  32           1HB      LYS  32  -3.373  -3.446  16.723
  748    HG2  LYS  32           2HG      LYS  32  -6.227  -4.319  16.315
  749    HG3  LYS  32           1HG      LYS  32  -4.819  -4.968  15.471
  750    HD2  LYS  32           2HD      LYS  32  -3.893  -5.719  17.618
  751    HD3  LYS  32           1HD      LYS  32  -5.311  -5.080  18.448
  752    HE2  LYS  32           2HE      LYS  32  -5.374  -7.233  16.336
  753    HE3  LYS  32           1HE      LYS  32  -5.398  -7.532  18.072
  754    HZ1  LYS  32           3HZ      LYS  32  -7.468  -6.174  18.161
  755    HZ2  LYS  32           1HZ      LYS  32  -7.623  -7.612  17.271
  756    HZ3  LYS  32           2HZ      LYS  32  -7.467  -6.136  16.463
  757    H    ASN  33           H        ASN  33  -5.387  -0.017  18.122
  758    HA   ASN  33           HA       ASN  33  -4.318   1.885  18.760
  759    HB2  ASN  33           2HB      ASN  33  -2.318  -0.029  19.979
  760    HB3  ASN  33           1HB      ASN  33  -2.285   1.713  20.205
  761   HD21  ASN  33          1HD2      ASN  33  -3.877   2.696  21.436
  762   HD22  ASN  33          2HD2      ASN  33  -4.865   1.803  22.538
  763    H    LEU  34           H        LEU  34  -4.053   1.391  16.229
  764    HA   LEU  34           HA       LEU  34  -1.284   2.111  15.560
  765    HB2  LEU  34           2HB      LEU  34  -3.024   0.129  14.077
  766    HB3  LEU  34           1HB      LEU  34  -1.485   0.740  13.497
  767    HG   LEU  34           HG       LEU  34  -1.814  -0.873  16.029
  768   HD11  LEU  34          1HD1      LEU  34  -0.863  -2.725  14.758
  769   HD12  LEU  34          2HD1      LEU  34  -0.875  -1.737  13.298
  770   HD13  LEU  34          3HD1      LEU  34  -2.396  -2.200  14.062
  771   HD21  LEU  34          3HD2      LEU  34   0.616  -1.097  15.884
  772   HD22  LEU  34          1HD2      LEU  34   0.137   0.595  16.018
  773   HD23  LEU  34          2HD2      LEU  34   0.628  -0.061  14.456
  774    H    THR  35           H        THR  35  -1.161   3.201  13.396
  775    HA   THR  35           HA       THR  35  -3.707   4.500  12.677
  776    HB   THR  35           HB       THR  35  -2.364   6.085  11.359
  777    HG1  THR  35           1HG      THR  35  -0.068   4.793  12.468
  778   HG21  THR  35          3HG2      THR  35  -1.382   5.783  14.193
  779   HG22  THR  35          1HG2      THR  35  -2.826   6.651  13.678
  780   HG23  THR  35          2HG2      THR  35  -1.230   7.238  13.208
  781    H    LEU  36           H        LEU  36  -4.116   4.707  10.283
  782    HA   LEU  36           HA       LEU  36  -3.966   2.275   8.943
  783    HB2  LEU  36           2HB      LEU  36  -4.658   3.426   6.950
  784    HB3  LEU  36           1HB      LEU  36  -5.526   4.080   8.320
  785    HG   LEU  36           HG       LEU  36  -3.152   5.423   7.012
  786   HD11  LEU  36          1HD1      LEU  36  -6.103   5.943   6.697
  787   HD12  LEU  36          2HD1      LEU  36  -5.027   5.272   5.472
  788   HD13  LEU  36          3HD1      LEU  36  -4.806   6.931   6.026
  789   HD21  LEU  36          3HD2      LEU  36  -3.950   7.414   8.228
  790   HD22  LEU  36          1HD2      LEU  36  -3.453   6.121   9.319
  791   HD23  LEU  36          2HD2      LEU  36  -5.166   6.420   9.029
  792    H    SER  37           H        SER  37  -1.822   5.064   8.833
  793    HA   SER  37           HA       SER  37  -0.029   4.251   6.884
  794    HB2  SER  37           2HB      SER  37   0.659   5.702   9.449
  795    HB3  SER  37           1HB      SER  37   1.526   5.786   7.915
  796    HG   SER  37           HG       SER  37   0.273   7.530   7.809
  797    H    ASP  38           H        ASP  38  -0.118   3.473  10.346
  798    HA   ASP  38           HA       ASP  38   2.292   2.007  10.419
  799    HB2  ASP  38           2HB      ASP  38  -0.159   1.830  12.179
  800    HB3  ASP  38           1HB      ASP  38   1.322   0.932  12.481
  801    H    VAL  39           H        VAL  39  -1.066   1.036   9.893
  802    HA   VAL  39           HA       VAL  39  -0.630  -1.736   9.996
  803    HB   VAL  39           HB       VAL  39  -2.784  -0.265   8.468
  804   HG11  VAL  39          1HG1      VAL  39  -4.076  -2.334   8.715
  805   HG12  VAL  39          2HG1      VAL  39  -2.686  -3.108   9.475
  806   HG13  VAL  39          3HG1      VAL  39  -2.598  -2.599   7.789
  807   HG21  VAL  39          3HG2      VAL  39  -4.161  -0.594  10.460
  808   HG22  VAL  39          1HG2      VAL  39  -2.736   0.380  10.821
  809   HG23  VAL  39          2HG2      VAL  39  -2.787  -1.319  11.294
  810    H    CYS  40           H        CYS  40  -0.587   0.528   7.256
  811    HA   CYS  40           HA       CYS  40  -0.350  -1.437   5.248
  812    HB2  CYS  40           2HB      CYS  40   0.738   1.380   5.086
  813    HB3  CYS  40           1HB      CYS  40   0.241   0.342   3.759
  814    HG   CYS  40           HG       CYS  40  -1.868   1.701   6.088
  815    H    ARG  41           H        ARG  41   2.204   0.670   6.614
  816    HA   ARG  41           HA       ARG  41   4.318  -0.701   5.432
  817    HB2  ARG  41           2HB      ARG  41   5.764   0.440   7.081
  818    HB3  ARG  41           1HB      ARG  41   4.652   1.511   6.248
  819    HG2  ARG  41           2HG      ARG  41   4.423   2.309   8.347
  820    HG3  ARG  41           1HG      ARG  41   3.179   1.062   8.396
  821    HD2  ARG  41           2HD      ARG  41   4.678  -0.458   9.515
  822    HD3  ARG  41           1HD      ARG  41   6.016   0.684   9.343
  823    HE   ARG  41           HE       ARG  41   3.787   1.804  10.742
  824   HH11  ARG  41          1HH1      ARG  41   6.653  -0.174  11.146
  825   HH12  ARG  41          2HH1      ARG  41   6.794   0.164  12.840
  826   HH21  ARG  41          1HH2      ARG  41   3.985   2.271  12.950
  827   HH22  ARG  41          2HH2      ARG  41   5.308   1.587  13.855
  828    H    LEU  42           H        LEU  42   2.678  -1.396   8.501
  829    HA   LEU  42           HA       LEU  42   4.640  -3.232   9.421
  830    HB2  LEU  42           2HB      LEU  42   1.706  -2.935  10.016
  831    HB3  LEU  42           1HB      LEU  42   2.673  -4.209  10.735
  832    HG   LEU  42           HG       LEU  42   3.182  -1.249  11.051
  833   HD11  LEU  42          1HD1      LEU  42   1.155  -1.970  12.206
  834   HD12  LEU  42          2HD1      LEU  42   2.438  -1.580  13.351
  835   HD13  LEU  42          3HD1      LEU  42   2.057  -3.264  12.994
  836   HD21  LEU  42          3HD2      LEU  42   4.804  -1.943  12.745
  837   HD22  LEU  42          1HD2      LEU  42   5.227  -2.575  11.154
  838   HD23  LEU  42          2HD2      LEU  42   4.491  -3.636  12.356
  839    H    ALA  43           H        ALA  43   1.931  -3.458   7.255
  840    HA   ALA  43           HA       ALA  43   2.034  -6.285   6.948
  841    HB1  ALA  43           1HB      ALA  43   0.895  -4.186   5.114
  842    HB2  ALA  43           2HB      ALA  43   0.033  -4.985   6.429
  843    HB3  ALA  43           3HB      ALA  43   0.579  -5.919   5.037
  844    H    ILE  44           H        ILE  44   3.819  -3.609   5.640
  845    HA   ILE  44           HA       ILE  44   4.940  -4.924   3.385
  846    HB   ILE  44           HB       ILE  44   6.100  -2.689   5.073
  847   HG12  ILE  44          2HG1      ILE  44   4.665  -2.632   2.407
  848   HG13  ILE  44          1HG1      ILE  44   4.014  -2.069   3.943
  849   HG21  ILE  44          1HG2      ILE  44   7.639  -2.282   3.222
  850   HG22  ILE  44          2HG2      ILE  44   6.985  -3.677   2.365
  851   HG23  ILE  44          3HG2      ILE  44   7.855  -3.905   3.882
  852   HD11  ILE  44          3HD1      ILE  44   5.725  -0.339   4.049
  853   HD12  ILE  44          1HD1      ILE  44   4.771  -0.208   2.571
  854   HD13  ILE  44          2HD1      ILE  44   6.395  -0.899   2.517
  855    H    LYS  45           H        LYS  45   5.875  -4.585   6.760
  856    HA   LYS  45           HA       LYS  45   8.281  -5.985   6.674
  857    HB2  LYS  45           2HB      LYS  45   7.526  -4.698   8.629
  858    HB3  LYS  45           1HB      LYS  45   6.253  -5.876   8.913
  859    HG2  LYS  45           2HG      LYS  45   8.059  -6.275  10.437
  860    HG3  LYS  45           1HG      LYS  45   7.977  -7.600   9.275
  861    HD2  LYS  45           2HD      LYS  45   9.800  -6.595   7.994
  862    HD3  LYS  45           1HD      LYS  45   9.883  -5.266   9.151
  863    HE2  LYS  45           2HE      LYS  45  11.615  -6.844   9.666
  864    HE3  LYS  45           1HE      LYS  45  10.392  -6.919  10.931
  865    HZ1  LYS  45           3HZ      LYS  45  11.016  -9.126  10.368
  866    HZ2  LYS  45           1HZ      LYS  45  10.798  -8.844   8.712
  867    HZ3  LYS  45           2HZ      LYS  45   9.455  -8.881   9.749
  868    H    GLU  46           H        GLU  46   4.958  -7.113   7.024
  869    HA   GLU  46           HA       GLU  46   5.601  -9.872   7.307
  870    HB2  GLU  46           2HB      GLU  46   3.446  -8.957   8.029
  871    HB3  GLU  46           1HB      GLU  46   3.067  -8.503   6.373
  872    HG2  GLU  46           2HG      GLU  46   1.870 -10.496   6.971
  873    HG3  GLU  46           1HG      GLU  46   3.074 -10.874   5.741
  874    H    TYR  47           H        TYR  47   4.884  -7.742   4.624
  875    HA   TYR  47           HA       TYR  47   4.568  -9.646   2.607
  876    HB2  TYR  47           2HB      TYR  47   4.051  -7.135   2.580
  877    HB3  TYR  47           1HB      TYR  47   5.750  -6.905   2.189
  878    HD1  TYR  47           2HD      TYR  47   2.660  -8.601   1.022
  879    HD2  TYR  47           1HD      TYR  47   6.473  -7.040  -0.038
  880    HE1  TYR  47           2HE      TYR  47   2.127  -8.936  -1.352
  881    HE2  TYR  47           1HE      TYR  47   5.947  -7.366  -2.419
  882    HH   TYR  47           HH       TYR  47   2.761  -8.184  -3.504
  883    H    LEU  48           H        LEU  48   7.403  -7.870   3.740
  884    HA   LEU  48           HA       LEU  48   9.271  -9.070   1.971
  885    HB2  LEU  48           2HB      LEU  48   9.806  -7.872   4.689
  886    HB3  LEU  48           1HB      LEU  48  10.979  -8.126   3.414
  887    HG   LEU  48           HG       LEU  48   8.681  -6.173   3.354
  888   HD11  LEU  48          1HD1      LEU  48  11.658  -5.767   3.555
  889   HD12  LEU  48          2HD1      LEU  48  10.467  -5.467   4.821
  890   HD13  LEU  48          3HD1      LEU  48  10.462  -4.487   3.355
  891   HD21  LEU  48          3HD2      LEU  48   9.647  -5.397   1.241
  892   HD22  LEU  48          1HD2      LEU  48   9.112  -7.074   1.129
  893   HD23  LEU  48          2HD2      LEU  48  10.829  -6.706   1.300
  894    H    ASP  49           H        ASP  49   8.551  -9.614   5.401
  895    HA   ASP  49           HA       ASP  49  10.505 -11.599   5.801
  896    HB2  ASP  49           2HB      ASP  49   9.457 -10.177   7.560
  897    HB3  ASP  49           1HB      ASP  49   7.993 -11.142   7.412
  898    H    ASN  50           H        ASN  50   7.483 -11.810   4.274
  899    HA   ASN  50           HA       ASN  50   6.769 -14.455   4.985
  900    HB2  ASN  50           2HB      ASN  50   5.191 -12.825   3.988
  901    HB3  ASN  50           1HB      ASN  50   6.093 -12.881   2.482
  902   HD21  ASN  50          1HD2      ASN  50   3.297 -13.532   3.203
  903   HD22  ASN  50          2HD2      ASN  50   3.026 -15.135   2.605
  904    H    HIS  51           H        HIS  51   8.262 -13.188   1.982
  905    HA   HIS  51           HA       HIS  51   9.175 -15.903   1.416
  906    HB2  HIS  51           2HB      HIS  51   9.772 -15.071  -0.828
  907    HB3  HIS  51           1HB      HIS  51   8.077 -14.809  -0.444
  908    HD1  HIS  51           1HD      HIS  51   7.247 -12.397  -0.316
  909    HD2  HIS  51           2HD      HIS  51  11.325 -12.736  -1.066
  910    HE1  HIS  51           1HE      HIS  51   8.012 -10.089  -0.982
  911    HE2  HIS  51           2HE      HIS  51  10.436 -10.371  -1.634
  912    H    ASP  52           H        ASP  52  10.328 -13.015   2.723
  913    HA   ASP  52           HA       ASP  52  12.365 -12.215   3.317
  914    HB2  ASP  52           2HB      ASP  52  12.209 -14.487   4.484
  915    HB3  ASP  52           1HB      ASP  52  13.288 -15.090   3.232
  916    H    LYS  53           H        LYS  53  14.905 -13.764   2.548
  917    HA   LYS  53           HA       LYS  53  15.298 -12.578  -0.049
  918    HB2  LYS  53           2HB      LYS  53  17.058 -14.468   1.531
  919    HB3  LYS  53           1HB      LYS  53  17.545 -13.594   0.087
  920    HG2  LYS  53           2HG      LYS  53  16.655 -12.250   2.625
  921    HG3  LYS  53           1HG      LYS  53  18.336 -12.626   2.251
  922    HD2  LYS  53           2HD      LYS  53  16.510 -10.842   0.637
  923    HD3  LYS  53           1HD      LYS  53  17.814 -10.307   1.700
  924    HE2  LYS  53           2HE      LYS  53  19.367 -11.701   0.254
  925    HE3  LYS  53           1HE      LYS  53  18.025 -11.840  -0.880
  926    HZ1  LYS  53           3HZ      LYS  53  19.376 -10.042  -1.583
  927    HZ2  LYS  53           1HZ      LYS  53  19.414  -9.361  -0.034
  928    HZ3  LYS  53           2HZ      LYS  53  17.976  -9.358  -0.925
  929    H    GLN  54           H        GLN  54  15.028 -15.824   1.298
  930    HA   GLN  54           HA       GLN  54  13.823 -16.810  -1.121
  931    HB2  GLN  54           2HB      GLN  54  15.411 -18.690  -1.390
  932    HB3  GLN  54           1HB      GLN  54  16.167 -17.134  -1.698
  933    HG2  GLN  54           2HG      GLN  54  17.278 -17.171   0.406
  934    HG3  GLN  54           1HG      GLN  54  16.363 -18.583   0.927
  935   HE21  GLN  54          1HE2      GLN  54  16.592 -19.898  -1.672
  936   HE22  GLN  54          2HE2      GLN  54  18.227 -20.482  -1.758
  937    H    LYS  55           H        LYS  55  12.794 -18.877  -0.786
  938    HA   LYS  55           HA       LYS  55  12.431 -19.507   2.063
  939    HB2  LYS  55           2HB      LYS  55  10.739 -20.164  -0.353
  940    HB3  LYS  55           1HB      LYS  55  10.435 -20.823   1.248
  941    HG2  LYS  55           2HG      LYS  55  10.201 -18.490   2.088
  942    HG3  LYS  55           1HG      LYS  55  10.323 -17.934   0.418
  943    HD2  LYS  55           2HD      LYS  55   8.336 -19.144  -0.188
  944    HD3  LYS  55           1HD      LYS  55   8.257 -19.895   1.408
  945    HE2  LYS  55           2HE      LYS  55   7.985 -17.632   2.395
  946    HE3  LYS  55           1HE      LYS  55   7.926 -16.968   0.764
  947    HZ1  LYS  55           3HZ      LYS  55   6.036 -19.023   1.759
  948    HZ2  LYS  55           1HZ      LYS  55   5.921 -18.122   0.328
  949    HZ3  LYS  55           2HZ      LYS  55   5.727 -17.360   1.832
  950    H    LYS  56           H        LYS  56  13.290 -21.319   2.888
  951    HA   LYS  56           HA       LYS  56  14.558 -23.175   1.004
  952    HB2  LYS  56           2HB      LYS  56  14.927 -22.999   3.997
  953    HB3  LYS  56           1HB      LYS  56  15.905 -23.922   2.865
  954    HG2  LYS  56           2HG      LYS  56  16.641 -21.808   1.827
  955    HG3  LYS  56           1HG      LYS  56  15.723 -20.923   3.046
  956    HD2  LYS  56           2HD      LYS  56  18.023 -22.810   3.556
  957    HD3  LYS  56           1HD      LYS  56  18.066 -21.051   3.684
  958    HE2  LYS  56           2HE      LYS  56  16.323 -22.869   5.345
  959    HE3  LYS  56           1HE      LYS  56  17.860 -22.187   5.873
  960    HZ1  LYS  56           3HZ      LYS  56  15.931 -20.931   6.676
  961    HZ2  LYS  56           1HZ      LYS  56  15.484 -20.588   5.079
  962    HZ3  LYS  56           2HZ      LYS  56  16.944 -19.986   5.698
  Start of MODEL   15
    1    H1   GLY   2           1HT      GLY   2 -18.667   3.680  -8.312
    2    H2   GLY   2           2HT      GLY   2 -17.564   3.908  -9.576
    3    H3   GLY   2           3HT      GLY   2 -19.117   3.313  -9.905
    4    HA2  GLY   2           1HA      GLY   2 -18.949   5.644 -10.520
    5    HA3  GLY   2           2HA      GLY   2 -20.105   5.397  -9.216
    6    H    ARG   3           H        ARG   3 -19.832   7.608  -8.631
    7    HA   ARG   3           HA       ARG   3 -17.256   8.270  -7.378
    8    HB2  ARG   3           2HB      ARG   3 -19.635  10.048  -7.951
    9    HB3  ARG   3           1HB      ARG   3 -18.078  10.577  -7.325
   10    HG2  ARG   3           2HG      ARG   3 -18.547   9.321 -10.019
   11    HG3  ARG   3           1HG      ARG   3 -18.320  11.043  -9.709
   12    HD2  ARG   3           2HD      ARG   3 -16.085  10.678  -8.951
   13    HD3  ARG   3           1HD      ARG   3 -16.297   8.926  -8.997
   14    HE   ARG   3           HE       ARG   3 -16.788   9.659 -11.550
   15   HH11  ARG   3          1HH1      ARG   3 -14.106  10.300  -9.370
   16   HH12  ARG   3          2HH1      ARG   3 -12.940  10.444 -10.650
   17   HH21  ARG   3          1HH2      ARG   3 -15.259   9.830 -13.205
   18   HH22  ARG   3          2HH2      ARG   3 -13.597  10.160 -12.828
   19    HA   PRO   4           HA       PRO   4 -19.518   7.231  -3.595
   20    HB2  PRO   4           2HB      PRO   4 -16.897   7.172  -2.340
   21    HB3  PRO   4           1HB      PRO   4 -18.033   5.846  -2.598
   22    HG2  PRO   4           2HG      PRO   4 -15.661   6.033  -3.909
   23    HG3  PRO   4           1HG      PRO   4 -17.095   5.256  -4.606
   24    HD2  PRO   4           2HD      PRO   4 -16.008   8.011  -5.087
   25    HD3  PRO   4           1HD      PRO   4 -16.656   6.834  -6.256
   26    H    TYR   5           H        TYR   5 -19.901   8.381  -1.664
   27    HA   TYR   5           HA       TYR   5 -19.379  11.205  -2.097
   28    HB2  TYR   5           2HB      TYR   5 -21.291   9.785  -0.241
   29    HB3  TYR   5           1HB      TYR   5 -21.151  11.537  -0.371
   30    HD1  TYR   5           1HD      TYR   5 -21.046  12.172  -3.108
   31    HD2  TYR   5           2HD      TYR   5 -23.218   9.020  -1.256
   32    HE1  TYR   5           1HE      TYR   5 -22.634  12.175  -4.981
   33    HE2  TYR   5           2HE      TYR   5 -24.813   9.013  -3.128
   34    HH   TYR   5           HH       TYR   5 -25.609  10.738  -4.863
   35    H    LYS   6           H        LYS   6 -17.075  10.450  -1.389
   36    HA   LYS   6           HA       LYS   6 -16.793  11.545   1.312
   37    HB2  LYS   6           2HB      LYS   6 -15.320   9.104   0.298
   38    HB3  LYS   6           1HB      LYS   6 -14.892   9.982   1.756
   39    HG2  LYS   6           2HG      LYS   6 -17.538   8.640   1.289
   40    HG3  LYS   6           1HG      LYS   6 -16.180   7.926   2.155
   41    HD2  LYS   6           2HD      LYS   6 -16.263   9.794   3.769
   42    HD3  LYS   6           1HD      LYS   6 -17.670  10.437   2.918
   43    HE2  LYS   6           2HE      LYS   6 -18.884   8.352   3.384
   44    HE3  LYS   6           1HE      LYS   6 -17.485   7.743   4.265
   45    HZ1  LYS   6           3HZ      LYS   6 -19.173  10.077   4.987
   46    HZ2  LYS   6           1HZ      LYS   6 -17.732   9.661   5.789
   47    HZ3  LYS   6           2HZ      LYS   6 -19.057   8.601   5.816
   48    H    LEU   7           H        LEU   7 -14.389  10.186  -0.886
   49    HA   LEU   7           HA       LEU   7 -13.589  12.849  -1.745
   50    HB2  LEU   7           2HB      LEU   7 -12.380  12.330   0.399
   51    HB3  LEU   7           1HB      LEU   7 -11.608  10.993  -0.427
   52    HG   LEU   7           HG       LEU   7 -10.503  12.530  -1.959
   53   HD11  LEU   7          1HD1      LEU   7 -11.880  14.711  -0.391
   54   HD12  LEU   7          2HD1      LEU   7 -12.217  14.265  -2.064
   55   HD13  LEU   7          3HD1      LEU   7 -10.651  14.951  -1.633
   56   HD21  LEU   7          3HD2      LEU   7  -9.015  13.626  -0.360
   57   HD22  LEU   7          1HD2      LEU   7  -9.392  11.976   0.139
   58   HD23  LEU   7          2HD2      LEU   7 -10.185  13.339   0.927
   59    H    LEU   8           H        LEU   8 -14.811  11.063  -3.285
   60    HA   LEU   8           HA       LEU   8 -14.726   9.991  -5.277
   61    HB2  LEU   8           2HB      LEU   8 -12.147  11.540  -5.432
   62    HB3  LEU   8           1HB      LEU   8 -12.801  10.628  -6.778
   63    HG   LEU   8           HG       LEU   8 -13.420  12.860  -7.173
   64   HD11  LEU   8          1HD1      LEU   8 -15.784  11.508  -5.890
   65   HD12  LEU   8          2HD1      LEU   8 -15.234  11.294  -7.552
   66   HD13  LEU   8          3HD1      LEU   8 -15.854  12.859  -7.024
   67   HD21  LEU   8          3HD2      LEU   8 -14.503  14.309  -5.549
   68   HD22  LEU   8          1HD2      LEU   8 -12.941  13.756  -4.945
   69   HD23  LEU   8          2HD2      LEU   8 -14.430  13.032  -4.336
   70    H    ASN   9           H        ASN   9 -13.919   8.436  -3.138
   71    HA   ASN   9           HA       ASN   9 -12.960   6.448  -2.615
   72    HB2  ASN   9           2HB      ASN   9 -14.108   5.956  -4.859
   73    HB3  ASN   9           1HB      ASN   9 -12.501   6.050  -5.570
   74   HD21  ASN   9          1HD2      ASN   9 -14.581   4.266  -3.408
   75   HD22  ASN   9          2HD2      ASN   9 -13.631   2.815  -3.365
   76    H    GLY  10           H        GLY  10 -11.234   8.535  -2.318
   77    HA2  GLY  10           2HA      GLY  10  -8.704   7.179  -2.539
   78    HA3  GLY  10           1HA      GLY  10  -8.821   8.621  -3.540
   79    H    ILE  11           H        ILE  11  -8.195   7.396  -0.466
   80    HA   ILE  11           HA       ILE  11  -8.435  10.036   0.805
   81    HB   ILE  11           HB       ILE  11  -7.977   7.356   2.131
   82   HG12  ILE  11          2HG1      ILE  11 -10.170   7.367   1.069
   83   HG13  ILE  11          1HG1      ILE  11 -10.337   7.455   2.819
   84   HG21  ILE  11          1HG2      ILE  11  -8.746  10.022   3.299
   85   HG22  ILE  11          2HG2      ILE  11  -7.173   9.238   3.441
   86   HG23  ILE  11          3HG2      ILE  11  -8.590   8.509   4.194
   87   HD11  ILE  11          3HD1      ILE  11 -11.916   8.934   1.734
   88   HD12  ILE  11          1HD1      ILE  11 -10.603   9.746   0.883
   89   HD13  ILE  11          2HD1      ILE  11 -10.725   9.875   2.637
   90    H    LYS  12           H        LYS  12  -6.658  10.965   1.779
   91    HA   LYS  12           HA       LYS  12  -4.103  10.019   0.699
   92    HB2  LYS  12           2HB      LYS  12  -5.047  12.311   0.138
   93    HB3  LYS  12           1HB      LYS  12  -4.787  12.750   1.815
   94    HG2  LYS  12           2HG      LYS  12  -2.591  11.863  -0.045
   95    HG3  LYS  12           1HG      LYS  12  -3.044  13.546   0.210
   96    HD2  LYS  12           2HD      LYS  12  -2.630  13.097   2.693
   97    HD3  LYS  12           1HD      LYS  12  -1.842  11.610   2.168
   98    HE2  LYS  12           2HE      LYS  12  -1.066  14.441   1.499
   99    HE3  LYS  12           1HE      LYS  12  -0.151  13.266   2.443
  100    HZ1  LYS  12           3HZ      LYS  12  -0.687  13.222  -0.472
  101    HZ2  LYS  12           1HZ      LYS  12  -0.059  11.894   0.370
  102    HZ3  LYS  12           2HZ      LYS  12   0.810  13.348   0.307
  103    H    LEU  13           H        LEU  13  -2.667   9.162   2.032
  104    HA   LEU  13           HA       LEU  13  -2.743   9.868   4.873
  105    HB2  LEU  13           2HB      LEU  13  -2.393   7.525   5.495
  106    HB3  LEU  13           1HB      LEU  13  -3.927   7.764   4.683
  107    HG   LEU  13           HG       LEU  13  -1.548   6.830   3.117
  108   HD11  LEU  13          1HD1      LEU  13  -1.678   5.353   5.061
  109   HD12  LEU  13          2HD1      LEU  13  -2.160   4.520   3.585
  110   HD13  LEU  13          3HD1      LEU  13  -3.386   5.064   4.731
  111   HD21  LEU  13          3HD2      LEU  13  -3.569   7.492   1.914
  112   HD22  LEU  13          1HD2      LEU  13  -4.519   6.355   2.874
  113   HD23  LEU  13          2HD2      LEU  13  -3.282   5.758   1.768
  114    H    GLY  14           H        GLY  14  -0.812  10.272   5.730
  115    HA2  GLY  14           2HA      GLY  14   1.555   9.594   4.141
  116    HA3  GLY  14           1HA      GLY  14   1.478  10.837   5.383
  117    H    VAL  15           H        VAL  15   2.954   8.093   4.797
  118    HA   VAL  15           HA       VAL  15   2.714   7.134   7.577
  119    HB   VAL  15           HB       VAL  15   3.748   5.565   5.184
  120   HG11  VAL  15          1HG1      VAL  15   3.126   4.652   7.984
  121   HG12  VAL  15          2HG1      VAL  15   4.740   4.870   7.305
  122   HG13  VAL  15          3HG1      VAL  15   3.665   3.637   6.646
  123   HG21  VAL  15          3HG2      VAL  15   1.104   5.355   6.615
  124   HG22  VAL  15          1HG2      VAL  15   1.677   4.287   5.333
  125   HG23  VAL  15          2HG2      VAL  15   1.356   5.985   4.988
  126    H    TYR  16           H        TYR  16   4.664   6.687   8.724
  127    HA   TYR  16           HA       TYR  16   7.104   7.832   7.533
  128    HB2  TYR  16           2HB      TYR  16   6.074   7.897  10.339
  129    HB3  TYR  16           1HB      TYR  16   7.809   7.922  10.051
  130    HD1  TYR  16           2HD      TYR  16   8.588   9.657   8.255
  131    HD2  TYR  16           1HD      TYR  16   4.974   9.938  10.470
  132    HE1  TYR  16           2HE      TYR  16   8.544  12.059   7.836
  133    HE2  TYR  16           1HE      TYR  16   4.918  12.365  10.074
  134    HH   TYR  16           HH       TYR  16   6.567  14.179   9.564
  135    H    ILE  17           H        ILE  17   8.620   6.399   7.086
  136    HA   ILE  17           HA       ILE  17   8.963   4.139   8.904
  137    HB   ILE  17           HB       ILE  17   8.955   2.453   7.302
  138   HG12  ILE  17          2HG1      ILE  17   8.802   4.514   5.097
  139   HG13  ILE  17          1HG1      ILE  17  10.259   3.639   5.559
  140   HG21  ILE  17          1HG2      ILE  17   6.728   4.315   6.517
  141   HG22  ILE  17          2HG2      ILE  17   6.709   3.151   7.842
  142   HG23  ILE  17          3HG2      ILE  17   6.789   2.586   6.175
  143   HD11  ILE  17          3HD1      ILE  17   9.343   2.576   3.641
  144   HD12  ILE  17          1HD1      ILE  17   7.744   2.495   4.384
  145   HD13  ILE  17          2HD1      ILE  17   9.064   1.519   5.031
  146    HA   PRO  18           HA       PRO  18  13.303   4.790   8.671
  147    HB2  PRO  18           2HB      PRO  18  13.532   1.901   7.968
  148    HB3  PRO  18           1HB      PRO  18  14.341   2.815   9.247
  149    HG2  PRO  18           2HG      PRO  18  12.337   1.183   9.829
  150    HG3  PRO  18           1HG      PRO  18  12.483   2.756  10.639
  151    HD2  PRO  18           2HD      PRO  18  10.641   1.916   8.442
  152    HD3  PRO  18           1HD      PRO  18  10.334   2.994   9.820
  153    H    GLN  19           H        GLN  19  14.910   5.201   7.209
  154    HA   GLN  19           HA       GLN  19  14.112   5.158   4.452
  155    HB2  GLN  19           2HB      GLN  19  15.920   6.553   4.009
  156    HB3  GLN  19           1HB      GLN  19  15.488   6.982   5.657
  157    HG2  GLN  19           2HG      GLN  19  17.536   6.516   6.347
  158    HG3  GLN  19           1HG      GLN  19  17.407   4.871   5.710
  159   HE21  GLN  19          1HE2      GLN  19  18.179   4.421   3.649
  160   HE22  GLN  19          2HE2      GLN  19  19.252   5.496   2.810
  161    H    GLU  20           H        GLU  20  15.781   3.072   6.511
  162    HA   GLU  20           HA       GLU  20  17.385   1.545   4.850
  163    HB2  GLU  20           2HB      GLU  20  15.410   0.371   6.812
  164    HB3  GLU  20           1HB      GLU  20  16.966  -0.289   6.337
  165    HG2  GLU  20           2HG      GLU  20  18.134   1.425   7.533
  166    HG3  GLU  20           1HG      GLU  20  16.629   2.279   7.864
  167    H    TRP  21           H        TRP  21  13.893   1.567   5.267
  168    HA   TRP  21           HA       TRP  21  13.445  -0.484   3.301
  169    HB2  TRP  21           2HB      TRP  21  11.622   1.347   4.849
  170    HB3  TRP  21           1HB      TRP  21  11.021   0.282   3.584
  171    HD1  TRP  21           HD       TRP  21  13.339  -1.999   4.826
  172    HE1  TRP  21           1HE      TRP  21  12.410  -3.438   6.756
  173    HE3  TRP  21           3HE      TRP  21   9.393   0.916   6.139
  174    HZ2  TRP  21           2HZ      TRP  21  10.249  -3.320   8.599
  175    HZ3  TRP  21           3HZ      TRP  21   7.938   0.205   7.975
  176    HH2  TRP  21           HH       TRP  21   8.347  -1.861   9.162
  177    H    HIS  22           H        HIS  22  13.302   3.042   3.466
  178    HA   HIS  22           HA       HIS  22  12.153   3.516   0.959
  179    HB2  HIS  22           2HB      HIS  22  14.171   5.080   2.560
  180    HB3  HIS  22           1HB      HIS  22  13.628   5.638   0.979
  181    HD1  HIS  22           1HD      HIS  22  11.467   6.899   0.895
  182    HD2  HIS  22           2HD      HIS  22  12.031   4.926   4.518
  183    HE1  HIS  22           1HE      HIS  22   9.608   7.686   2.399
  184    HE2  HIS  22           2HE      HIS  22  10.013   6.538   4.605
  185    H    ASP  23           H        ASP  23  15.463   2.745   1.859
  186    HA   ASP  23           HA       ASP  23  16.688   2.988  -0.646
  187    HB2  ASP  23           2HB      ASP  23  17.914   2.684   1.480
  188    HB3  ASP  23           1HB      ASP  23  17.322   1.030   1.577
  189    H    ARG  24           H        ARG  24  15.435   0.014   0.921
  190    HA   ARG  24           HA       ARG  24  15.977  -1.560  -1.415
  191    HB2  ARG  24           2HB      ARG  24  14.564  -2.136   1.180
  192    HB3  ARG  24           1HB      ARG  24  14.558  -3.301  -0.132
  193    HG2  ARG  24           2HG      ARG  24  16.280  -3.910   1.384
  194    HG3  ARG  24           1HG      ARG  24  17.045  -3.282  -0.077
  195    HD2  ARG  24           2HD      ARG  24  17.656  -1.281   0.967
  196    HD3  ARG  24           1HD      ARG  24  16.527  -1.527   2.301
  197    HE   ARG  24           HE       ARG  24  18.288  -3.634   2.449
  198   HH11  ARG  24          1HH1      ARG  24  18.590  -0.144   2.469
  199   HH12  ARG  24          2HH1      ARG  24  19.960  -0.135   3.534
  200   HH21  ARG  24          1HH2      ARG  24  20.087  -3.627   3.876
  201   HH22  ARG  24          2HH2      ARG  24  20.815  -2.113   4.322
  202    H    LEU  25           H        LEU  25  13.011  -0.255   0.019
  203    HA   LEU  25           HA       LEU  25  11.244  -1.644  -1.670
  204    HB2  LEU  25           2HB      LEU  25  10.896   0.908  -0.111
  205    HB3  LEU  25           1HB      LEU  25   9.596   0.151  -1.013
  206    HG   LEU  25           HG       LEU  25  11.078  -1.057   1.324
  207   HD11  LEU  25          1HD1      LEU  25   9.562   0.710   1.981
  208   HD12  LEU  25          2HD1      LEU  25   8.910  -0.859   2.453
  209   HD13  LEU  25          3HD1      LEU  25   8.263  -0.025   1.041
  210   HD21  LEU  25          3HD2      LEU  25  10.446  -2.774  -0.283
  211   HD22  LEU  25          1HD2      LEU  25   8.794  -2.157  -0.314
  212   HD23  LEU  25          2HD2      LEU  25   9.439  -2.872   1.162
  213    H    MET  26           H        MET  26  12.562   1.673  -1.906
  214    HA   MET  26           HA       MET  26  11.210   2.227  -4.336
  215    HB2  MET  26           2HB      MET  26  13.567   3.518  -2.992
  216    HB3  MET  26           1HB      MET  26  12.974   4.062  -4.559
  217    HG2  MET  26           2HG      MET  26  11.337   3.922  -2.039
  218    HG3  MET  26           1HG      MET  26  12.079   5.379  -2.694
  219    HE1  MET  26           3HE      MET  26  10.125   5.820  -6.075
  220    HE2  MET  26           1HE      MET  26  11.649   4.968  -5.835
  221    HE3  MET  26           2HE      MET  26  11.356   6.499  -5.009
  222    H    GLU  27           H        GLU  27  14.257   0.666  -3.621
  223    HA   GLU  27           HA       GLU  27  15.254   0.703  -6.267
  224    HB2  GLU  27           2HB      GLU  27  16.696   0.183  -4.365
  225    HB3  GLU  27           1HB      GLU  27  15.755  -1.256  -4.017
  226    HG2  GLU  27           2HG      GLU  27  16.860  -1.150  -6.723
  227    HG3  GLU  27           1HG      GLU  27  18.061  -1.199  -5.432
  228    H    ILE  28           H        ILE  28  13.435  -1.755  -4.462
  229    HA   ILE  28           HA       ILE  28  12.956  -3.490  -6.632
  230    HB   ILE  28           HB       ILE  28  11.155  -2.969  -4.255
  231   HG12  ILE  28          2HG1      ILE  28  13.343  -5.038  -4.572
  232   HG13  ILE  28          1HG1      ILE  28  13.481  -3.564  -3.618
  233   HG21  ILE  28          1HG2      ILE  28  10.019  -4.184  -6.017
  234   HG22  ILE  28          2HG2      ILE  28  10.344  -5.254  -4.651
  235   HG23  ILE  28          3HG2      ILE  28  11.346  -5.343  -6.100
  236   HD11  ILE  28          3HD1      ILE  28  11.544  -5.815  -3.119
  237   HD12  ILE  28          1HD1      ILE  28  11.677  -4.339  -2.165
  238   HD13  ILE  28          2HD1      ILE  28  13.018  -5.485  -2.208
  239    H    ALA  29           H        ALA  29  11.395  -0.582  -5.519
  240    HA   ALA  29           HA       ALA  29   9.009  -0.748  -7.001
  241    HB1  ALA  29           1HB      ALA  29   8.734   1.605  -6.496
  242    HB2  ALA  29           2HB      ALA  29  10.427   1.724  -6.021
  243    HB3  ALA  29           3HB      ALA  29   9.314   0.739  -5.072
  244    H    LYS  30           H        LYS  30  12.209   0.299  -7.836
  245    HA   LYS  30           HA       LYS  30  11.467   1.683 -10.233
  246    HB2  LYS  30           2HB      LYS  30  13.643   1.916  -8.875
  247    HB3  LYS  30           1HB      LYS  30  14.117   0.393  -9.635
  248    HG2  LYS  30           2HG      LYS  30  14.149   1.359 -11.785
  249    HG3  LYS  30           1HG      LYS  30  13.350   2.827 -11.221
  250    HD2  LYS  30           2HD      LYS  30  15.713   3.247 -11.538
  251    HD3  LYS  30           1HD      LYS  30  15.314   3.332  -9.823
  252    HE2  LYS  30           2HE      LYS  30  16.129   1.007  -9.564
  253    HE3  LYS  30           1HE      LYS  30  16.612   1.020 -11.260
  254    HZ1  LYS  30           3HZ      LYS  30  17.643   2.862  -9.169
  255    HZ2  LYS  30           1HZ      LYS  30  18.139   2.813 -10.790
  256    HZ3  LYS  30           2HZ      LYS  30  18.460   1.503  -9.768
  257    H    GLU  31           H        GLU  31  12.734  -1.440  -9.356
  258    HA   GLU  31           HA       GLU  31  12.983  -2.518 -11.923
  259    HB2  GLU  31           2HB      GLU  31  14.123  -3.373  -9.927
  260    HB3  GLU  31           1HB      GLU  31  12.584  -3.890  -9.262
  261    HG2  GLU  31           2HG      GLU  31  12.337  -5.544 -10.981
  262    HG3  GLU  31           1HG      GLU  31  13.779  -4.951 -11.810
  263    H    LYS  32           H        LYS  32  10.309  -2.444  -9.642
  264    HA   LYS  32           HA       LYS  32   8.719  -4.252 -11.294
  265    HB2  LYS  32           2HB      LYS  32   8.618  -3.319  -8.482
  266    HB3  LYS  32           1HB      LYS  32   7.084  -3.705  -9.241
  267    HG2  LYS  32           2HG      LYS  32   7.977  -5.596  -7.995
  268    HG3  LYS  32           1HG      LYS  32   7.855  -5.954  -9.715
  269    HD2  LYS  32           2HD      LYS  32  10.202  -5.727 -10.017
  270    HD3  LYS  32           1HD      LYS  32  10.406  -5.041  -8.402
  271    HE2  LYS  32           2HE      LYS  32   9.870  -7.122  -7.369
  272    HE3  LYS  32           1HE      LYS  32   9.361  -7.820  -8.905
  273    HZ1  LYS  32           3HZ      LYS  32  11.656  -8.430  -8.007
  274    HZ2  LYS  32           1HZ      LYS  32  12.140  -6.882  -8.501
  275    HZ3  LYS  32           2HZ      LYS  32  11.546  -7.988  -9.643
  276    H    ASN  33           H        ASN  33   9.194  -0.964 -11.145
  277    HA   ASN  33           HA       ASN  33   8.108   0.850 -11.994
  278    HB2  ASN  33           2HB      ASN  33   6.416  -1.318 -13.226
  279    HB3  ASN  33           1HB      ASN  33   6.027   0.382 -13.453
  280   HD21  ASN  33          1HD2      ASN  33   9.313  -0.785 -13.203
  281   HD22  ASN  33          2HD2      ASN  33   9.746  -0.495 -14.853
  282    H    LEU  34           H        LEU  34   7.687   0.269  -9.422
  283    HA   LEU  34           HA       LEU  34   4.895   1.059  -8.906
  284    HB2  LEU  34           2HB      LEU  34   6.609  -0.848  -7.296
  285    HB3  LEU  34           1HB      LEU  34   5.041  -0.241  -6.787
  286    HG   LEU  34           HG       LEU  34   5.524  -1.963  -9.225
  287   HD11  LEU  34          1HD1      LEU  34   4.440  -3.732  -7.936
  288   HD12  LEU  34          2HD1      LEU  34   4.355  -2.667  -6.534
  289   HD13  LEU  34          3HD1      LEU  34   5.924  -3.186  -7.150
  290   HD21  LEU  34          3HD2      LEU  34   2.973  -1.027  -7.914
  291   HD22  LEU  34          1HD2      LEU  34   3.086  -2.158  -9.263
  292   HD23  LEU  34          2HD2      LEU  34   3.603  -0.486  -9.471
  293    H    THR  35           H        THR  35   4.716   2.170  -6.710
  294    HA   THR  35           HA       THR  35   7.262   3.480  -6.009
  295    HB   THR  35           HB       THR  35   5.946   5.186  -4.837
  296    HG1  THR  35           1HG      THR  35   3.661   3.834  -5.917
  297   HG21  THR  35          3HG2      THR  35   4.971   6.285  -6.791
  298   HG22  THR  35          1HG2      THR  35   5.026   4.763  -7.681
  299   HG23  THR  35          2HG2      THR  35   6.525   5.550  -7.187
  300    H    LEU  36           H        LEU  36   7.585   3.862  -3.623
  301    HA   LEU  36           HA       LEU  36   7.361   1.497  -2.145
  302    HB2  LEU  36           2HB      LEU  36   8.209   2.683  -0.282
  303    HB3  LEU  36           1HB      LEU  36   8.975   3.362  -1.701
  304    HG   LEU  36           HG       LEU  36   6.644   4.649  -0.271
  305   HD11  LEU  36          1HD1      LEU  36   9.593   5.243  -0.069
  306   HD12  LEU  36          2HD1      LEU  36   8.591   4.521   1.190
  307   HD13  LEU  36          3HD1      LEU  36   8.295   6.181   0.670
  308   HD21  LEU  36          3HD2      LEU  36   6.824   5.363  -2.578
  309   HD22  LEU  36          1HD2      LEU  36   8.548   5.683  -2.374
  310   HD23  LEU  36          2HD2      LEU  36   7.361   6.659  -1.509
  311    H    SER  37           H        SER  37   5.293   4.333  -2.273
  312    HA   SER  37           HA       SER  37   3.522   3.733  -0.217
  313    HB2  SER  37           2HB      SER  37   2.867   5.006  -2.887
  314    HB3  SER  37           1HB      SER  37   1.945   5.171  -1.393
  315    HG   SER  37           HG       SER  37   3.168   6.911  -1.287
  316    H    ASP  38           H        ASP  38   3.550   2.688  -3.600
  317    HA   ASP  38           HA       ASP  38   1.123   1.266  -3.557
  318    HB2  ASP  38           2HB      ASP  38   3.582   0.947  -5.277
  319    HB3  ASP  38           1HB      ASP  38   2.121  -0.007  -5.514
  320    H    VAL  39           H        VAL  39   4.472   0.159  -3.128
  321    HA   VAL  39           HA       VAL  39   3.842  -2.564  -2.742
  322    HB   VAL  39           HB       VAL  39   6.214  -1.058  -1.616
  323   HG11  VAL  39          1HG1      VAL  39   7.341  -3.249  -1.739
  324   HG12  VAL  39          2HG1      VAL  39   5.810  -3.986  -2.214
  325   HG13  VAL  39          3HG1      VAL  39   5.976  -3.246  -0.622
  326   HG21  VAL  39          3HG2      VAL  39   5.985  -0.707  -4.031
  327   HG22  VAL  39          1HG2      VAL  39   5.935  -2.453  -4.278
  328   HG23  VAL  39          2HG2      VAL  39   7.397  -1.691  -3.648
  329    H    CYS  40           H        CYS  40   3.965   0.153  -0.485
  330    HA   CYS  40           HA       CYS  40   3.899  -1.496   1.831
  331    HB2  CYS  40           2HB      CYS  40   4.665   0.988   1.593
  332    HB3  CYS  40           1HB      CYS  40   2.966   1.364   1.832
  333    HG   CYS  40           HG       CYS  40   3.740  -0.690   4.186
  334    H    ARG  41           H        ARG  41   1.297   0.557   0.414
  335    HA   ARG  41           HA       ARG  41  -0.732  -0.599   1.902
  336    HB2  ARG  41           2HB      ARG  41  -2.276   0.236   0.135
  337    HB3  ARG  41           1HB      ARG  41  -1.172   1.441   0.768
  338    HG2  ARG  41           2HG      ARG  41  -1.014   1.934  -1.427
  339    HG3  ARG  41           1HG      ARG  41   0.248   0.709  -1.341
  340    HD2  ARG  41           2HD      ARG  41  -1.280  -0.976  -2.165
  341    HD3  ARG  41           1HD      ARG  41  -2.606   0.193  -2.161
  342    HE   ARG  41           HE       ARG  41  -0.415   1.102  -3.734
  343   HH11  ARG  41          1HH1      ARG  41  -3.201  -1.033  -3.807
  344   HH12  ARG  41          2HH1      ARG  41  -3.315  -1.011  -5.538
  345   HH21  ARG  41          1HH2      ARG  41  -0.578   1.133  -6.005
  346   HH22  ARG  41          2HH2      ARG  41  -1.819   0.186  -6.784
  347    H    LEU  42           H        LEU  42   0.684  -1.699  -1.182
  348    HA   LEU  42           HA       LEU  42  -1.174  -3.817  -1.561
  349    HB2  LEU  42           2HB      LEU  42   1.658  -3.435  -2.518
  350    HB3  LEU  42           1HB      LEU  42   0.705  -4.845  -2.937
  351    HG   LEU  42           HG       LEU  42  -0.019  -1.993  -3.612
  352   HD11  LEU  42          1HD1      LEU  42   1.924  -2.765  -4.866
  353   HD12  LEU  42          2HD1      LEU  42   0.513  -2.638  -5.915
  354   HD13  LEU  42          3HD1      LEU  42   1.049  -4.218  -5.346
  355   HD21  LEU  42          3HD2      LEU  42  -1.749  -3.021  -5.008
  356   HD22  LEU  42          1HD2      LEU  42  -1.975  -3.422  -3.307
  357   HD23  LEU  42          2HD2      LEU  42  -1.288  -4.615  -4.409
  358    H    ALA  43           H        ALA  43   1.578  -3.375   0.454
  359    HA   ALA  43           HA       ALA  43   1.927  -6.081   1.187
  360    HB1  ALA  43           1HB      ALA  43   3.217  -5.217   3.057
  361    HB2  ALA  43           2HB      ALA  43   2.633  -3.590   2.707
  362    HB3  ALA  43           3HB      ALA  43   3.668  -4.424   1.548
  363    H    ILE  44           H        ILE  44  -0.111  -3.442   2.282
  364    HA   ILE  44           HA       ILE  44  -1.147  -4.714   4.601
  365    HB   ILE  44           HB       ILE  44  -2.532  -2.670   2.843
  366   HG12  ILE  44          2HG1      ILE  44  -0.767  -2.282   5.274
  367   HG13  ILE  44          1HG1      ILE  44  -0.386  -1.801   3.622
  368   HG21  ILE  44          1HG2      ILE  44  -4.027  -3.871   4.363
  369   HG22  ILE  44          2HG2      ILE  44  -3.861  -2.178   4.821
  370   HG23  ILE  44          3HG2      ILE  44  -3.000  -3.424   5.726
  371   HD11  ILE  44          3HD1      ILE  44  -2.224  -0.199   3.655
  372   HD12  ILE  44          1HD1      ILE  44  -1.081   0.106   4.962
  373   HD13  ILE  44          2HD1      ILE  44  -2.623  -0.682   5.303
  374    H    LYS  45           H        LYS  45  -2.152  -4.506   1.233
  375    HA   LYS  45           HA       LYS  45  -4.476  -6.026   1.399
  376    HB2  LYS  45           2HB      LYS  45  -3.944  -4.797  -0.618
  377    HB3  LYS  45           1HB      LYS  45  -2.494  -5.760  -0.868
  378    HG2  LYS  45           2HG      LYS  45  -3.855  -7.737  -1.246
  379    HG3  LYS  45           1HG      LYS  45  -5.319  -6.796  -0.959
  380    HD2  LYS  45           2HD      LYS  45  -4.874  -5.433  -2.900
  381    HD3  LYS  45           1HD      LYS  45  -3.321  -6.237  -3.147
  382    HE2  LYS  45           2HE      LYS  45  -5.993  -7.629  -3.214
  383    HE3  LYS  45           1HE      LYS  45  -5.137  -7.053  -4.643
  384    HZ1  LYS  45           3HZ      LYS  45  -3.338  -8.545  -4.185
  385    HZ2  LYS  45           1HZ      LYS  45  -4.784  -9.433  -4.183
  386    HZ3  LYS  45           2HZ      LYS  45  -4.032  -9.030  -2.718
  387    H    GLU  46           H        GLU  46  -1.106  -6.997   1.017
  388    HA   GLU  46           HA       GLU  46  -1.642  -9.775   0.658
  389    HB2  GLU  46           2HB      GLU  46   0.511  -8.308   0.156
  390    HB3  GLU  46           1HB      GLU  46   0.938  -8.772   1.794
  391    HG2  GLU  46           2HG      GLU  46   1.981 -10.326   0.377
  392    HG3  GLU  46           1HG      GLU  46   0.599 -11.160   1.087
  393    H    TYR  47           H        TYR  47  -1.003  -7.635   3.329
  394    HA   TYR  47           HA       TYR  47  -0.621  -9.521   5.363
  395    HB2  TYR  47           2HB      TYR  47  -0.031  -7.155   5.600
  396    HB3  TYR  47           1HB      TYR  47  -1.730  -6.709   5.495
  397    HD1  TYR  47           2HD      TYR  47  -3.241  -7.131   7.376
  398    HD2  TYR  47           1HD      TYR  47   0.906  -8.045   7.627
  399    HE1  TYR  47           2HE      TYR  47  -3.434  -7.290   9.817
  400    HE2  TYR  47           1HE      TYR  47   0.729  -8.197  10.071
  401    HH   TYR  47           HH       TYR  47  -0.709  -7.454  11.884
  402    H    LEU  48           H        LEU  48  -3.510  -7.777   4.294
  403    HA   LEU  48           HA       LEU  48  -5.307  -9.028   6.092
  404    HB2  LEU  48           2HB      LEU  48  -5.922  -7.793   3.405
  405    HB3  LEU  48           1HB      LEU  48  -7.066  -8.084   4.704
  406    HG   LEU  48           HG       LEU  48  -4.789  -6.100   4.744
  407   HD11  LEU  48          1HD1      LEU  48  -6.582  -4.434   4.828
  408   HD12  LEU  48          2HD1      LEU  48  -7.779  -5.718   4.661
  409   HD13  LEU  48          3HD1      LEU  48  -6.645  -5.395   3.350
  410   HD21  LEU  48          3HD2      LEU  48  -5.747  -5.385   6.905
  411   HD22  LEU  48          1HD2      LEU  48  -5.102  -7.025   6.958
  412   HD23  LEU  48          2HD2      LEU  48  -6.843  -6.765   6.854
  413    H    ASP  49           H        ASP  49  -4.646  -9.528   2.656
  414    HA   ASP  49           HA       ASP  49  -6.580 -11.504   2.226
  415    HB2  ASP  49           2HB      ASP  49  -5.618 -10.213   0.418
  416    HB3  ASP  49           1HB      ASP  49  -4.029 -10.892   0.736
  417    H    ASN  50           H        ASN  50  -3.233 -11.778   3.330
  418    HA   ASN  50           HA       ASN  50  -3.241 -14.639   2.984
  419    HB2  ASN  50           2HB      ASN  50  -1.007 -14.596   3.383
  420    HB3  ASN  50           1HB      ASN  50  -1.205 -12.878   3.050
  421   HD21  ASN  50          1HD2      ASN  50  -0.898 -11.425   4.646
  422   HD22  ASN  50          2HD2      ASN  50  -0.287 -11.833   6.220
  423    H    HIS  51           H        HIS  51  -4.318 -12.480   5.383
  424    HA   HIS  51           HA       HIS  51  -4.326 -14.537   7.460
  425    HB2  HIS  51           2HB      HIS  51  -5.118 -11.627   7.467
  426    HB3  HIS  51           1HB      HIS  51  -5.501 -12.703   8.808
  427    HD1  HIS  51           1HD      HIS  51  -3.891 -10.787  10.016
  428    HD2  HIS  51           2HD      HIS  51  -2.066 -13.621   7.573
  429    HE1  HIS  51           1HE      HIS  51  -1.451 -10.748  10.628
  430    HE2  HIS  51           2HE      HIS  51  -0.396 -12.571   9.245
  431    H    ASP  52           H        ASP  52  -6.678 -12.460   5.777
  432    HA   ASP  52           HA       ASP  52  -8.785 -14.388   6.389
  433    HB2  ASP  52           2HB      ASP  52  -8.832 -11.649   5.119
  434    HB3  ASP  52           1HB      ASP  52 -10.247 -12.695   5.182
  435    H    LYS  53           H        LYS  53  -7.753 -16.001   5.178
  436    HA   LYS  53           HA       LYS  53  -7.157 -15.640   2.392
  437    HB2  LYS  53           2HB      LYS  53  -5.850 -17.013   4.054
  438    HB3  LYS  53           1HB      LYS  53  -7.171 -18.165   4.045
  439    HG2  LYS  53           2HG      LYS  53  -6.794 -18.567   1.654
  440    HG3  LYS  53           1HG      LYS  53  -5.440 -17.431   1.693
  441    HD2  LYS  53           2HD      LYS  53  -5.684 -20.010   3.245
  442    HD3  LYS  53           1HD      LYS  53  -4.589 -19.687   1.899
  443    HE2  LYS  53           2HE      LYS  53  -3.297 -18.187   3.170
  444    HE3  LYS  53           1HE      LYS  53  -4.536 -18.046   4.412
  445    HZ1  LYS  53           3HZ      LYS  53  -2.767 -19.401   5.223
  446    HZ2  LYS  53           1HZ      LYS  53  -2.830 -20.419   3.868
  447    HZ3  LYS  53           2HZ      LYS  53  -4.115 -20.397   4.979
  448    H    GLN  54           H        GLN  54  -9.127 -18.081   4.075
  449    HA   GLN  54           HA       GLN  54 -10.644 -18.488   1.618
  450    HB2  GLN  54           2HB      GLN  54 -10.618 -20.051   4.201
  451    HB3  GLN  54           1HB      GLN  54 -11.474 -20.511   2.738
  452    HG2  GLN  54           2HG      GLN  54  -8.492 -20.218   2.994
  453    HG3  GLN  54           1HG      GLN  54  -9.382 -21.742   3.004
  454   HE21  GLN  54          1HE2      GLN  54 -10.217 -22.539   1.093
  455   HE22  GLN  54          2HE2      GLN  54  -9.785 -21.897  -0.457
  456    H    LYS  55           H        LYS  55 -10.919 -16.386   3.995
  457    HA   LYS  55           HA       LYS  55 -13.845 -16.644   4.175
  458    HB2  LYS  55           2HB      LYS  55 -11.938 -15.525   6.239
  459    HB3  LYS  55           1HB      LYS  55 -13.690 -15.472   6.362
  460    HG2  LYS  55           2HG      LYS  55 -13.757 -17.921   6.372
  461    HG3  LYS  55           1HG      LYS  55 -11.997 -17.961   6.264
  462    HD2  LYS  55           2HD      LYS  55 -12.666 -18.292   8.559
  463    HD3  LYS  55           1HD      LYS  55 -11.871 -16.726   8.398
  464    HE2  LYS  55           2HE      LYS  55 -13.821 -16.519   9.814
  465    HE3  LYS  55           1HE      LYS  55 -14.079 -15.638   8.309
  466    HZ1  LYS  55           3HZ      LYS  55 -15.113 -18.368   8.862
  467    HZ2  LYS  55           1HZ      LYS  55 -15.449 -17.419   7.497
  468    HZ3  LYS  55           2HZ      LYS  55 -16.017 -16.946   9.025
  469    H    LYS  56           H        LYS  56 -14.271 -15.339   2.410
  470    HA   LYS  56           HA       LYS  56 -13.966 -12.485   3.006
  471    HB2  LYS  56           2HB      LYS  56 -13.421 -13.793   0.337
  472    HB3  LYS  56           1HB      LYS  56 -13.709 -12.071   0.521
  473    HG2  LYS  56           2HG      LYS  56 -11.736 -12.004   2.070
  474    HG3  LYS  56           1HG      LYS  56 -11.410 -13.677   1.606
  475    HD2  LYS  56           2HD      LYS  56 -11.222 -13.005  -0.732
  476    HD3  LYS  56           1HD      LYS  56 -11.590 -11.336  -0.295
  477    HE2  LYS  56           2HE      LYS  56  -9.230 -11.515  -0.579
  478    HE3  LYS  56           1HE      LYS  56  -9.554 -11.340   1.145
  479    HZ1  LYS  56           3HZ      LYS  56  -9.194 -13.997  -0.107
  480    HZ2  LYS  56           1HZ      LYS  56  -9.068 -13.578   1.532
  481    HZ3  LYS  56           2HZ      LYS  56  -7.871 -13.080   0.433
  482    H1   GLY   2           1HT      GLY   2  22.388   5.527  15.147
  483    H2   GLY   2           2HT      GLY   2  21.522   6.188  16.447
  484    H3   GLY   2           3HT      GLY   2  22.897   5.238  16.741
  485    HA2  GLY   2           1HA      GLY   2  23.397   7.575  17.042
  486    HA3  GLY   2           2HA      GLY   2  24.305   6.892  15.698
  487    H    ARG   3           H        ARG   3  24.403   9.305  15.258
  488    HA   ARG   3           HA       ARG   3  22.000  10.389  14.013
  489    HB2  ARG   3           2HB      ARG   3  24.779  11.531  14.366
  490    HB3  ARG   3           1HB      ARG   3  23.458  12.383  13.582
  491    HG2  ARG   3           2HG      ARG   3  23.460  11.437  16.437
  492    HG3  ARG   3           1HG      ARG   3  23.789  13.086  15.904
  493    HD2  ARG   3           2HD      ARG   3  21.549  13.224  14.941
  494    HD3  ARG   3           1HD      ARG   3  21.221  11.568  15.455
  495    HE   ARG   3           HE       ARG   3  22.016  13.176  17.657
  496   HH11  ARG   3          1HH1      ARG   3  19.271  12.620  15.541
  497   HH12  ARG   3          2HH1      ARG   3  18.091  13.053  16.741
  498   HH21  ARG   3          1HH2      ARG   3  20.474  13.737  19.240
  499   HH22  ARG   3          2HH2      ARG   3  18.778  13.675  18.849
  500    HA   PRO   4           HA       PRO   4  23.589   8.867  10.081
  501    HB2  PRO   4           2HB      PRO   4  20.966   9.040   9.005
  502    HB3  PRO   4           1HB      PRO   4  21.794   7.585   9.557
  503    HG2  PRO   4           2HG      PRO   4  19.543   8.724  10.744
  504    HG3  PRO   4           1HG      PRO   4  20.622   7.539  11.499
  505    HD2  PRO   4           2HD      PRO   4  20.529  10.502  11.825
  506    HD3  PRO   4           1HD      PRO   4  20.909   9.243  13.021
  507    H    TYR   5           H        TYR   5  23.174   9.742   7.778
  508    HA   TYR   5           HA       TYR   5  23.324  12.650   7.868
  509    HB2  TYR   5           2HB      TYR   5  23.488  10.805   5.471
  510    HB3  TYR   5           1HB      TYR   5  23.949  12.502   5.522
  511    HD1  TYR   5           1HD      TYR   5  25.983  13.189   6.767
  512    HD2  TYR   5           2HD      TYR   5  24.954   9.101   6.219
  513    HE1  TYR   5           1HE      TYR   5  28.286  12.538   7.338
  514    HE2  TYR   5           2HE      TYR   5  27.244   8.435   6.790
  515    HH   TYR   5           HH       TYR   5  29.512   9.426   6.762
  516    H    LYS   6           H        LYS   6  20.995  10.333   7.584
  517    HA   LYS   6           HA       LYS   6  19.320  11.748   5.664
  518    HB2  LYS   6           2HB      LYS   6  18.740   9.160   7.109
  519    HB3  LYS   6           1HB      LYS   6  17.944   9.779   5.668
  520    HG2  LYS   6           2HG      LYS   6  20.786   8.812   5.886
  521    HG3  LYS   6           1HG      LYS   6  19.443   8.009   5.067
  522    HD2  LYS   6           2HD      LYS   6  19.291   9.883   3.492
  523    HD3  LYS   6           1HD      LYS   6  20.643  10.673   4.306
  524    HE2  LYS   6           2HE      LYS   6  22.062   8.728   3.763
  525    HE3  LYS   6           1HE      LYS   6  20.712   8.014   2.885
  526    HZ1  LYS   6           3HZ      LYS   6  20.727   9.941   1.401
  527    HZ2  LYS   6           1HZ      LYS   6  22.219   9.129   1.382
  528    HZ3  LYS   6           2HZ      LYS   6  22.056  10.581   2.239
  529    H    LEU   7           H        LEU   7  16.824  11.256   6.484
  530    HA   LEU   7           HA       LEU   7  16.582  13.228   8.597
  531    HB2  LEU   7           2HB      LEU   7  15.313  13.382   6.450
  532    HB3  LEU   7           1HB      LEU   7  14.429  11.942   6.915
  533    HG   LEU   7           HG       LEU   7  13.573  13.172   8.911
  534   HD11  LEU   7          1HD1      LEU   7  14.838  15.548   7.559
  535   HD12  LEU   7          2HD1      LEU   7  15.349  14.831   9.087
  536   HD13  LEU   7          3HD1      LEU   7  13.765  15.597   8.957
  537   HD21  LEU   7          3HD2      LEU   7  11.958  14.520   7.662
  538   HD22  LEU   7          1HD2      LEU   7  12.231  12.961   6.886
  539   HD23  LEU   7          2HD2      LEU   7  12.978  14.416   6.228
  540    H    LEU   8           H        LEU   8  17.469  11.461  10.055
  541    HA   LEU   8           HA       LEU   8  17.199  10.106  11.855
  542    HB2  LEU   8           2HB      LEU   8  14.470  11.361  11.701
  543    HB3  LEU   8           1HB      LEU   8  14.891  10.225  12.966
  544    HG   LEU   8           HG       LEU   8  15.128  12.432  13.844
  545   HD11  LEU   8          1HD1      LEU   8  17.857  11.332  13.210
  546   HD12  LEU   8          2HD1      LEU   8  16.812  10.812  14.532
  547   HD13  LEU   8          3HD1      LEU   8  17.460  12.452  14.512
  548   HD21  LEU   8          3HD2      LEU   8  16.635  14.097  12.874
  549   HD22  LEU   8          1HD2      LEU   8  15.327  13.674  11.767
  550   HD23  LEU   8          2HD2      LEU   8  16.945  13.020  11.511
  551    H    ASN   9           H        ASN   9  16.718   8.989   9.211
  552    HA   ASN   9           HA       ASN   9  16.018   7.093   8.184
  553    HB2  ASN   9           2HB      ASN   9  17.347   6.154  10.107
  554    HB3  ASN   9           1HB      ASN   9  15.832   5.954  10.982
  555   HD21  ASN   9          1HD2      ASN   9  16.075   3.734  11.093
  556   HD22  ASN   9          2HD2      ASN   9  15.873   2.706   9.718
  557    H    GLY  10           H        GLY  10  14.039   8.852   8.328
  558    HA2  GLY  10           2HA      GLY  10  11.694   7.159   8.349
  559    HA3  GLY  10           1HA      GLY  10  11.671   8.459   9.537
  560    H    ILE  11           H        ILE  11  10.965   7.604   6.394
  561    HA   ILE  11           HA       ILE  11  11.153  10.388   5.426
  562    HB   ILE  11           HB       ILE  11  11.261   7.878   3.738
  563   HG12  ILE  11          2HG1      ILE  11  13.243   7.998   5.158
  564   HG13  ILE  11          1HG1      ILE  11  13.660   8.326   3.479
  565   HG21  ILE  11          1HG2      ILE  11  11.848  10.749   3.037
  566   HG22  ILE  11          2HG2      ILE  11  10.441   9.818   2.523
  567   HG23  ILE  11          3HG2      ILE  11  12.050   9.365   1.960
  568   HD11  ILE  11          3HD1      ILE  11  14.843   9.828   4.960
  569   HD12  ILE  11          1HD1      ILE  11  13.318  10.386   5.651
  570   HD13  ILE  11          2HD1      ILE  11  13.698  10.724   3.963
  571    H    LYS  12           H        LYS  12   9.514  10.951   3.766
  572    HA   LYS  12           HA       LYS  12   6.913  10.053   4.780
  573    HB2  LYS  12           2HB      LYS  12   7.937  12.541   4.540
  574    HB3  LYS  12           1HB      LYS  12   7.173  12.394   2.968
  575    HG2  LYS  12           2HG      LYS  12   5.860  12.257   5.668
  576    HG3  LYS  12           1HG      LYS  12   5.663  13.498   4.434
  577    HD2  LYS  12           2HD      LYS  12   4.716  11.671   2.951
  578    HD3  LYS  12           1HD      LYS  12   4.668  10.659   4.398
  579    HE2  LYS  12           2HE      LYS  12   3.184  13.217   3.856
  580    HE3  LYS  12           1HE      LYS  12   2.521  11.622   4.206
  581    HZ1  LYS  12           3HZ      LYS  12   2.449  13.256   6.080
  582    HZ2  LYS  12           1HZ      LYS  12   4.134  13.171   6.149
  583    HZ3  LYS  12           2HZ      LYS  12   3.206  11.787   6.457
  584    H    LEU  13           H        LEU  13   5.706   8.785   3.564
  585    HA   LEU  13           HA       LEU  13   5.992   8.905   0.640
  586    HB2  LEU  13           2HB      LEU  13   5.381   6.441   0.666
  587    HB3  LEU  13           1HB      LEU  13   7.004   6.857   1.171
  588    HG   LEU  13           HG       LEU  13   4.866   6.462   3.239
  589   HD11  LEU  13          1HD1      LEU  13   4.728   4.488   1.826
  590   HD12  LEU  13          2HD1      LEU  13   5.495   4.091   3.364
  591   HD13  LEU  13          3HD1      LEU  13   6.478   4.284   1.912
  592   HD21  LEU  13          3HD2      LEU  13   7.016   7.382   3.953
  593   HD22  LEU  13          1HD2      LEU  13   7.855   6.019   3.201
  594   HD23  LEU  13          2HD2      LEU  13   6.797   5.747   4.585
  595    H    GLY  14           H        GLY  14   4.154   8.989  -0.514
  596    HA2  GLY  14           2HA      GLY  14   1.695   9.293   1.066
  597    HA3  GLY  14           1HA      GLY  14   2.005  10.030  -0.498
  598    H    VAL  15           H        VAL  15   0.234   7.760   0.984
  599    HA   VAL  15           HA       VAL  15   0.223   5.925  -1.324
  600    HB   VAL  15           HB       VAL  15  -1.041   5.438   1.380
  601   HG11  VAL  15          1HG1      VAL  15  -1.914   4.055  -0.421
  602   HG12  VAL  15          2HG1      VAL  15  -0.971   3.086   0.711
  603   HG13  VAL  15          3HG1      VAL  15  -0.278   3.549  -0.843
  604   HG21  VAL  15          3HG2      VAL  15   0.918   4.075   1.934
  605   HG22  VAL  15          1HG2      VAL  15   1.344   5.770   1.704
  606   HG23  VAL  15          2HG2      VAL  15   1.697   4.594   0.440
  607    H    TYR  16           H        TYR  16  -1.923   5.203  -2.079
  608    HA   TYR  16           HA       TYR  16  -4.120   7.037  -1.432
  609    HB2  TYR  16           2HB      TYR  16  -2.680   7.146  -3.817
  610    HB3  TYR  16           1HB      TYR  16  -4.104   6.196  -4.216
  611    HD1  TYR  16           2HD      TYR  16  -5.007   8.424  -1.637
  612    HD2  TYR  16           1HD      TYR  16  -4.201   8.308  -5.812
  613    HE1  TYR  16           2HE      TYR  16  -6.290  10.485  -1.932
  614    HE2  TYR  16           1HE      TYR  16  -5.488  10.378  -6.115
  615    HH   TYR  16           HH       TYR  16  -7.388  11.568  -4.856
  616    H    ILE  17           H        ILE  17  -5.802   5.855  -0.767
  617    HA   ILE  17           HA       ILE  17  -6.311   3.245  -1.999
  618    HB   ILE  17           HB       ILE  17  -6.644   2.173   0.189
  619   HG12  ILE  17          2HG1      ILE  17  -5.450   4.716   1.314
  620   HG13  ILE  17          1HG1      ILE  17  -7.120   4.198   1.513
  621   HG21  ILE  17          1HG2      ILE  17  -3.896   3.349  -0.178
  622   HG22  ILE  17          2HG2      ILE  17  -4.522   1.896  -0.958
  623   HG23  ILE  17          3HG2      ILE  17  -4.284   1.925   0.790
  624   HD11  ILE  17          3HD1      ILE  17  -5.759   3.764   3.498
  625   HD12  ILE  17          1HD1      ILE  17  -4.708   2.719   2.539
  626   HD13  ILE  17          2HD1      ILE  17  -6.397   2.277   2.794
  627    HA   PRO  18           HA       PRO  18 -10.538   4.472  -1.914
  628    HB2  PRO  18           2HB      PRO  18 -11.744   2.056  -1.374
  629    HB3  PRO  18           1HB      PRO  18 -11.173   2.560  -2.967
  630    HG2  PRO  18           2HG      PRO  18  -9.859   0.794  -0.948
  631    HG3  PRO  18           1HG      PRO  18  -9.928   0.625  -2.712
  632    HD2  PRO  18           2HD      PRO  18  -7.732   1.543  -1.469
  633    HD3  PRO  18           1HD      PRO  18  -8.237   2.172  -3.054
  634    H    GLN  19           H        GLN  19 -12.448   4.610  -0.599
  635    HA   GLN  19           HA       GLN  19 -11.921   5.118   2.129
  636    HB2  GLN  19           2HB      GLN  19 -14.306   5.591   2.309
  637    HB3  GLN  19           1HB      GLN  19 -13.634   6.327   0.858
  638    HG2  GLN  19           2HG      GLN  19 -14.459   4.273  -0.383
  639    HG3  GLN  19           1HG      GLN  19 -15.360   3.888   1.079
  640   HE21  GLN  19          1HE2      GLN  19 -17.133   5.076   1.641
  641   HE22  GLN  19          2HE2      GLN  19 -17.860   6.233   0.573
  642    H    GLU  20           H        GLU  20 -13.339   2.422   0.408
  643    HA   GLU  20           HA       GLU  20 -14.373   0.851   2.432
  644    HB2  GLU  20           2HB      GLU  20 -12.673  -0.081   0.107
  645    HB3  GLU  20           1HB      GLU  20 -13.809  -1.068   1.016
  646    HG2  GLU  20           2HG      GLU  20 -15.631  -0.149   0.009
  647    HG3  GLU  20           1HG      GLU  20 -14.831   1.393  -0.291
  648    H    TRP  21           H        TRP  21 -11.087   1.447   1.502
  649    HA   TRP  21           HA       TRP  21  -9.863  -0.510   3.180
  650    HB2  TRP  21           2HB      TRP  21  -9.030   1.687   1.380
  651    HB3  TRP  21           1HB      TRP  21  -7.910   1.289   2.676
  652    HD1  TRP  21           HD       TRP  21  -9.895  -1.003   0.201
  653    HE1  TRP  21           1HE      TRP  21  -8.166  -2.604  -0.865
  654    HE3  TRP  21           3HE      TRP  21  -5.721   0.711   2.537
  655    HZ2  TRP  21           2HZ      TRP  21  -5.354  -3.052  -0.701
  656    HZ3  TRP  21           3HZ      TRP  21  -3.562  -0.332   2.052
  657    HH2  TRP  21           HH       TRP  21  -3.368  -2.156   0.474
  658    H    HIS  22           H        HIS  22  -9.977   3.046   3.218
  659    HA   HIS  22           HA       HIS  22  -8.630   3.433   5.612
  660    HB2  HIS  22           2HB      HIS  22  -9.330   5.178   3.875
  661    HB3  HIS  22           1HB      HIS  22 -10.889   5.215   4.697
  662    HD1  HIS  22           1HD      HIS  22 -11.044   6.586   6.840
  663    HD2  HIS  22           2HD      HIS  22  -7.139   6.125   5.456
  664    HE1  HIS  22           1HE      HIS  22  -9.636   8.145   8.226
  665    HE2  HIS  22           2HE      HIS  22  -7.273   7.743   7.475
  666    H    ASP  23           H        ASP  23 -12.082   2.965   5.032
  667    HA   ASP  23           HA       ASP  23 -13.012   3.410   7.635
  668    HB2  ASP  23           2HB      ASP  23 -14.511   3.292   5.726
  669    HB3  ASP  23           1HB      ASP  23 -14.097   1.600   5.468
  670    H    ARG  24           H        ARG  24 -12.108   0.338   6.043
  671    HA   ARG  24           HA       ARG  24 -12.662  -1.219   8.373
  672    HB2  ARG  24           2HB      ARG  24 -11.537  -1.718   5.682
  673    HB3  ARG  24           1HB      ARG  24 -11.048  -2.841   6.942
  674    HG2  ARG  24           2HG      ARG  24 -12.981  -3.657   5.709
  675    HG3  ARG  24           1HG      ARG  24 -13.372  -3.369   7.402
  676    HD2  ARG  24           2HD      ARG  24 -14.467  -1.298   6.841
  677    HD3  ARG  24           1HD      ARG  24 -13.969  -1.448   5.157
  678    HE   ARG  24           HE       ARG  24 -15.396  -3.747   5.760
  679   HH11  ARG  24          1HH1      ARG  24 -16.086  -0.304   5.811
  680   HH12  ARG  24          2HH1      ARG  24 -17.731  -0.506   5.301
  681   HH21  ARG  24          1HH2      ARG  24 -17.572  -4.008   5.125
  682   HH22  ARG  24          2HH2      ARG  24 -18.579  -2.609   4.926
  683    H    LEU  25           H        LEU  25  -9.772   0.252   7.019
  684    HA   LEU  25           HA       LEU  25  -7.902  -1.008   8.717
  685    HB2  LEU  25           2HB      LEU  25  -7.786   1.659   7.313
  686    HB3  LEU  25           1HB      LEU  25  -6.431   0.941   8.167
  687    HG   LEU  25           HG       LEU  25  -7.790  -0.166   5.710
  688   HD11  LEU  25          1HD1      LEU  25  -6.326   1.727   5.263
  689   HD12  LEU  25          2HD1      LEU  25  -5.627   0.228   4.649
  690   HD13  LEU  25          3HD1      LEU  25  -5.020   0.937   6.145
  691   HD21  LEU  25          3HD2      LEU  25  -7.111  -1.971   7.198
  692   HD22  LEU  25          1HD2      LEU  25  -5.492  -1.285   7.306
  693   HD23  LEU  25          2HD2      LEU  25  -6.082  -1.912   5.766
  694    H    MET  26           H        MET  26  -9.786   1.966   9.047
  695    HA   MET  26           HA       MET  26  -8.511   2.895  11.371
  696    HB2  MET  26           2HB      MET  26 -11.300   3.378  10.332
  697    HB3  MET  26           1HB      MET  26 -10.641   4.189  11.748
  698    HG2  MET  26           2HG      MET  26  -9.499   4.316   8.967
  699    HG3  MET  26           1HG      MET  26 -10.481   5.562   9.736
  700    HE1  MET  26           3HE      MET  26  -9.322   5.357  12.752
  701    HE2  MET  26           1HE      MET  26  -9.682   6.887  11.951
  702    HE3  MET  26           2HE      MET  26  -8.111   6.637  12.711
  703    H    GLU  27           H        GLU  27 -11.264   0.696  10.945
  704    HA   GLU  27           HA       GLU  27 -11.855   0.516  13.703
  705    HB2  GLU  27           2HB      GLU  27 -12.378  -1.370  11.416
  706    HB3  GLU  27           1HB      GLU  27 -12.898  -1.717  13.060
  707    HG2  GLU  27           2HG      GLU  27 -13.732   0.618  11.357
  708    HG3  GLU  27           1HG      GLU  27 -14.718  -0.769  11.819
  709    H    ILE  28           H        ILE  28  -9.739  -1.442  11.631
  710    HA   ILE  28           HA       ILE  28  -8.935  -3.246  13.667
  711    HB   ILE  28           HB       ILE  28  -7.437  -2.441  11.161
  712   HG12  ILE  28          2HG1      ILE  28  -9.290  -4.783  11.675
  713   HG13  ILE  28          1HG1      ILE  28  -9.706  -3.351  10.738
  714   HG21  ILE  28          1HG2      ILE  28  -5.989  -3.510  12.815
  715   HG22  ILE  28          2HG2      ILE  28  -6.252  -4.567  11.427
  716   HG23  ILE  28          3HG2      ILE  28  -7.114  -4.861  12.938
  717   HD11  ILE  28          3HD1      ILE  28  -7.553  -5.338  10.058
  718   HD12  ILE  28          1HD1      ILE  28  -7.977  -3.912   9.114
  719   HD13  ILE  28          2HD1      ILE  28  -9.140  -5.224   9.300
  720    H    ALA  29           H        ALA  29  -7.666  -0.178  12.512
  721    HA   ALA  29           HA       ALA  29  -5.276  -0.121  13.996
  722    HB1  ALA  29           1HB      ALA  29  -6.970   2.196  13.070
  723    HB2  ALA  29           2HB      ALA  29  -5.764   1.355  12.095
  724    HB3  ALA  29           3HB      ALA  29  -5.267   2.260  13.525
  725    H    LYS  30           H        LYS  30  -8.563   0.749  14.773
  726    HA   LYS  30           HA       LYS  30  -7.915   2.039  17.256
  727    HB2  LYS  30           2HB      LYS  30  -9.878   2.717  16.019
  728    HB3  LYS  30           1HB      LYS  30 -10.502   1.075  16.024
  729    HG2  LYS  30           2HG      LYS  30 -10.807   1.216  18.456
  730    HG3  LYS  30           1HG      LYS  30 -10.211   2.878  18.419
  731    HD2  LYS  30           2HD      LYS  30 -12.680   2.758  18.434
  732    HD3  LYS  30           1HD      LYS  30 -12.044   3.551  16.992
  733    HE2  LYS  30           2HE      LYS  30 -12.320   1.474  15.726
  734    HE3  LYS  30           1HE      LYS  30 -12.946   0.674  17.165
  735    HZ1  LYS  30           3HZ      LYS  30 -14.215   3.039  15.897
  736    HZ2  LYS  30           1HZ      LYS  30 -14.851   2.086  17.148
  737    HZ3  LYS  30           2HZ      LYS  30 -14.670   1.436  15.589
  738    H    GLU  31           H        GLU  31  -8.960  -1.099  16.173
  739    HA   GLU  31           HA       GLU  31  -9.469  -2.310  18.655
  740    HB2  GLU  31           2HB      GLU  31 -10.159  -3.214  16.473
  741    HB3  GLU  31           1HB      GLU  31  -8.479  -3.523  16.068
  742    HG2  GLU  31           2HG      GLU  31  -8.346  -5.120  17.933
  743    HG3  GLU  31           1HG      GLU  31 -10.056  -4.836  18.271
  744    H    LYS  32           H        LYS  32  -6.516  -2.092  16.705
  745    HA   LYS  32           HA       LYS  32  -5.053  -3.657  18.693
  746    HB2  LYS  32           2HB      LYS  32  -4.735  -3.110  15.815
  747    HB3  LYS  32           1HB      LYS  32  -3.238  -3.226  16.729
  748    HG2  LYS  32           2HG      LYS  32  -4.120  -5.357  15.653
  749    HG3  LYS  32           1HG      LYS  32  -3.652  -5.444  17.352
  750    HD2  LYS  32           2HD      LYS  32  -6.003  -5.203  18.001
  751    HD3  LYS  32           1HD      LYS  32  -6.465  -5.128  16.301
  752    HE2  LYS  32           2HE      LYS  32  -4.954  -7.463  17.429
  753    HE3  LYS  32           1HE      LYS  32  -6.711  -7.366  17.517
  754    HZ1  LYS  32           3HZ      LYS  32  -5.934  -8.621  15.587
  755    HZ2  LYS  32           1HZ      LYS  32  -5.119  -7.250  15.007
  756    HZ3  LYS  32           2HZ      LYS  32  -6.812  -7.246  15.130
  757    H    ASN  33           H        ASN  33  -5.676  -0.481  18.216
  758    HA   ASN  33           HA       ASN  33  -4.837   1.445  19.065
  759    HB2  ASN  33           2HB      ASN  33  -3.051  -0.460  20.586
  760    HB3  ASN  33           1HB      ASN  33  -3.004   1.285  20.814
  761   HD21  ASN  33          1HD2      ASN  33  -4.763  -1.631  21.396
  762   HD22  ASN  33          2HD2      ASN  33  -5.943  -0.948  22.458
  763    H    LEU  34           H        LEU  34  -4.125   0.998  16.611
  764    HA   LEU  34           HA       LEU  34  -1.373   1.995  16.397
  765    HB2  LEU  34           2HB      LEU  34  -2.643  -0.147  14.672
  766    HB3  LEU  34           1HB      LEU  34  -1.110   0.636  14.322
  767    HG   LEU  34           HG       LEU  34  -1.628  -0.991  16.810
  768   HD11  LEU  34          1HD1      LEU  34  -1.819  -2.402  14.825
  769   HD12  LEU  34          2HD1      LEU  34  -0.346  -2.763  15.724
  770   HD13  LEU  34          3HD1      LEU  34  -0.266  -1.806  14.244
  771   HD21  LEU  34          3HD2      LEU  34   0.915   0.027  15.549
  772   HD22  LEU  34          1HD2      LEU  34   0.808  -0.987  16.987
  773   HD23  LEU  34          2HD2      LEU  34   0.162   0.653  17.015
  774    H    THR  35           H        THR  35  -1.071   3.070  14.173
  775    HA   THR  35           HA       THR  35  -3.629   4.278  13.349
  776    HB   THR  35           HB       THR  35  -2.282   6.034  12.244
  777    HG1  THR  35           1HG      THR  35  -0.086   4.612  13.412
  778   HG21  THR  35          3HG2      THR  35  -1.485   7.148  14.275
  779   HG22  THR  35          1HG2      THR  35  -1.579   5.622  15.154
  780   HG23  THR  35          2HG2      THR  35  -3.050   6.379  14.540
  781    H    LEU  36           H        LEU  36  -3.800   4.747  10.927
  782    HA   LEU  36           HA       LEU  36  -3.616   2.328   9.523
  783    HB2  LEU  36           2HB      LEU  36  -4.221   3.616   7.506
  784    HB3  LEU  36           1HB      LEU  36  -5.280   3.909   8.866
  785    HG   LEU  36           HG       LEU  36  -3.044   5.829   8.396
  786   HD11  LEU  36          1HD1      LEU  36  -4.427   7.077   6.809
  787   HD12  LEU  36          2HD1      LEU  36  -5.609   5.768   6.806
  788   HD13  LEU  36          3HD1      LEU  36  -3.987   5.493   6.172
  789   HD21  LEU  36          3HD2      LEU  36  -4.427   6.170  10.339
  790   HD22  LEU  36          1HD2      LEU  36  -5.895   6.042   9.370
  791   HD23  LEU  36          2HD2      LEU  36  -4.810   7.415   9.154
  792    H    SER  37           H        SER  37  -1.496   5.134   9.608
  793    HA   SER  37           HA       SER  37   0.287   4.410   7.584
  794    HB2  SER  37           2HB      SER  37   0.956   5.782  10.203
  795    HB3  SER  37           1HB      SER  37   1.903   5.846   8.717
  796    HG   SER  37           HG       SER  37   0.528   7.243   7.876
  797    H    ASP  38           H        ASP  38   0.083   3.408  10.959
  798    HA   ASP  38           HA       ASP  38   2.491   1.931  11.046
  799    HB2  ASP  38           2HB      ASP  38  -0.045   1.615  12.664
  800    HB3  ASP  38           1HB      ASP  38   1.451   0.752  12.997
  801    H    VAL  39           H        VAL  39  -0.840   1.036  10.281
  802    HA   VAL  39           HA       VAL  39  -0.446  -1.740  10.092
  803    HB   VAL  39           HB       VAL  39  -2.439  -0.064   8.551
  804   HG11  VAL  39          1HG1      VAL  39  -2.210  -2.340   7.690
  805   HG12  VAL  39          2HG1      VAL  39  -3.777  -2.103   8.465
  806   HG13  VAL  39          3HG1      VAL  39  -2.501  -2.985   9.305
  807   HG21  VAL  39          3HG2      VAL  39  -2.606   0.370  10.940
  808   HG22  VAL  39          1HG2      VAL  39  -2.694  -1.361  11.265
  809   HG23  VAL  39          2HG2      VAL  39  -3.995  -0.563  10.382
  810    H    CYS  40           H        CYS  40   0.046   0.849   7.748
  811    HA   CYS  40           HA       CYS  40   0.364  -0.831   5.498
  812    HB2  CYS  40           2HB      CYS  40   0.098   1.826   5.775
  813    HB3  CYS  40           1HB      CYS  40   1.848   1.770   5.582
  814    HG   CYS  40           HG       CYS  40   0.479  -0.097   3.274
  815    H    ARG  41           H        ARG  41   2.952   0.984   7.174
  816    HA   ARG  41           HA       ARG  41   5.066  -0.496   6.224
  817    HB2  ARG  41           2HB      ARG  41   6.356   0.387   8.162
  818    HB3  ARG  41           1HB      ARG  41   5.493   1.595   7.230
  819    HG2  ARG  41           2HG      ARG  41   5.011   2.324   9.319
  820    HG3  ARG  41           1HG      ARG  41   3.663   1.207   9.105
  821    HD2  ARG  41           2HD      ARG  41   4.824  -0.506  10.337
  822    HD3  ARG  41           1HD      ARG  41   6.271   0.503  10.441
  823    HE   ARG  41           HE       ARG  41   3.973   1.777  11.571
  824   HH11  ARG  41          1HH1      ARG  41   6.558  -0.488  12.230
  825   HH12  ARG  41          2HH1      ARG  41   6.441  -0.306  13.949
  826   HH21  ARG  41          1HH2      ARG  41   3.842   2.052  13.821
  827   HH22  ARG  41          2HH2      ARG  41   4.887   1.110  14.861
  828    H    LEU  42           H        LEU  42   3.053  -1.302   9.047
  829    HA   LEU  42           HA       LEU  42   4.807  -3.344   9.990
  830    HB2  LEU  42           2HB      LEU  42   1.860  -2.870  10.399
  831    HB3  LEU  42           1HB      LEU  42   2.702  -4.230  11.116
  832    HG   LEU  42           HG       LEU  42   3.391  -1.332  11.605
  833   HD11  LEU  42          1HD1      LEU  42   1.211  -1.938  12.544
  834   HD12  LEU  42          2HD1      LEU  42   2.411  -1.679  13.810
  835   HD13  LEU  42          3HD1      LEU  42   1.945  -3.318  13.358
  836   HD21  LEU  42          3HD2      LEU  42   4.799  -2.218  13.390
  837   HD22  LEU  42          1HD2      LEU  42   5.296  -2.858  11.824
  838   HD23  LEU  42          2HD2      LEU  42   4.363  -3.865  12.933
  839    H    ALA  43           H        ALA  43   2.278  -3.188   7.622
  840    HA   ALA  43           HA       ALA  43   1.971  -5.994   7.334
  841    HB1  ALA  43           1HB      ALA  43   0.201  -4.426   6.756
  842    HB2  ALA  43           2HB      ALA  43   0.634  -5.439   5.378
  843    HB3  ALA  43           3HB      ALA  43   1.198  -3.769   5.458
  844    H    ILE  44           H        ILE  44   4.117  -3.594   5.850
  845    HA   ILE  44           HA       ILE  44   4.928  -5.370   3.758
  846    HB   ILE  44           HB       ILE  44   6.918  -3.905   3.461
  847   HG12  ILE  44          2HG1      ILE  44   5.608  -2.350   5.684
  848   HG13  ILE  44          1HG1      ILE  44   7.242  -3.004   5.655
  849   HG21  ILE  44          1HG2      ILE  44   4.234  -2.569   3.432
  850   HG22  ILE  44          2HG2      ILE  44   4.912  -3.600   2.169
  851   HG23  ILE  44          3HG2      ILE  44   5.656  -2.041   2.529
  852   HD11  ILE  44          3HD1      ILE  44   6.207  -0.786   3.900
  853   HD12  ILE  44          1HD1      ILE  44   7.840  -1.450   3.871
  854   HD13  ILE  44          2HD1      ILE  44   7.259  -0.603   5.305
  855    H    LYS  45           H        LYS  45   6.013  -4.749   7.053
  856    HA   LYS  45           HA       LYS  45   8.312  -6.360   6.892
  857    HB2  LYS  45           2HB      LYS  45   7.565  -4.880   8.857
  858    HB3  LYS  45           1HB      LYS  45   6.574  -6.246   9.352
  859    HG2  LYS  45           2HG      LYS  45   8.515  -7.642   9.597
  860    HG3  LYS  45           1HG      LYS  45   9.552  -6.376   8.939
  861    HD2  LYS  45           2HD      LYS  45   8.937  -4.932  10.852
  862    HD3  LYS  45           1HD      LYS  45   8.004  -6.269  11.524
  863    HE2  LYS  45           2HE      LYS  45  10.177  -6.168  12.587
  864    HE3  LYS  45           1HE      LYS  45  10.059  -7.630  11.610
  865    HZ1  LYS  45           3HZ      LYS  45  12.198  -6.546  11.321
  866    HZ2  LYS  45           1HZ      LYS  45  11.440  -5.118  10.811
  867    HZ3  LYS  45           2HZ      LYS  45  11.333  -6.522   9.870
  868    H    GLU  46           H        GLU  46   4.921  -7.128   7.309
  869    HA   GLU  46           HA       GLU  46   5.202  -9.951   7.624
  870    HB2  GLU  46           2HB      GLU  46   3.127  -8.975   8.282
  871    HB3  GLU  46           1HB      GLU  46   2.950  -8.131   6.754
  872    HG2  GLU  46           2HG      GLU  46   1.458  -9.782   6.390
  873    HG3  GLU  46           1HG      GLU  46   2.901 -10.617   5.825
  874    H    TYR  47           H        TYR  47   4.848  -7.758   4.911
  875    HA   TYR  47           HA       TYR  47   4.380  -9.687   2.926
  876    HB2  TYR  47           2HB      TYR  47   3.894  -7.213   2.787
  877    HB3  TYR  47           1HB      TYR  47   5.613  -6.967   2.499
  878    HD1  TYR  47           1HD      TYR  47   2.501  -8.332   1.117
  879    HD2  TYR  47           2HD      TYR  47   6.603  -7.511   0.363
  880    HE1  TYR  47           1HE      TYR  47   2.130  -8.729  -1.279
  881    HE2  TYR  47           2HE      TYR  47   6.246  -7.908  -2.037
  882    HH   TYR  47           HH       TYR  47   3.152  -8.130  -3.430
  883    H    LEU  48           H        LEU  48   7.332  -8.045   3.967
  884    HA   LEU  48           HA       LEU  48   9.036  -9.205   2.039
  885    HB2  LEU  48           2HB      LEU  48   9.732  -8.168   4.790
  886    HB3  LEU  48           1HB      LEU  48  10.863  -8.453   3.483
  887    HG   LEU  48           HG       LEU  48   8.692  -6.358   3.544
  888   HD11  LEU  48          1HD1      LEU  48  10.572  -4.786   3.537
  889   HD12  LEU  48          2HD1      LEU  48  11.696  -6.142   3.637
  890   HD13  LEU  48          3HD1      LEU  48  10.580  -5.821   4.964
  891   HD21  LEU  48          3HD2      LEU  48   8.987  -7.239   1.288
  892   HD22  LEU  48          1HD2      LEU  48  10.726  -6.973   1.400
  893   HD23  LEU  48          2HD2      LEU  48   9.621  -5.598   1.409
  894    H    ASP  49           H        ASP  49   8.220 -10.069   5.357
  895    HA   ASP  49           HA       ASP  49  10.134 -12.097   5.657
  896    HB2  ASP  49           2HB      ASP  49   8.832 -10.922   7.473
  897    HB3  ASP  49           1HB      ASP  49   7.476 -11.972   7.073
  898    H    ASN  50           H        ASN  50   6.849 -12.182   4.346
  899    HA   ASN  50           HA       ASN  50   6.855 -15.070   4.257
  900    HB2  ASN  50           2HB      ASN  50   4.645 -14.999   3.554
  901    HB3  ASN  50           1HB      ASN  50   4.766 -13.522   4.500
  902   HD21  ASN  50          1HD2      ASN  50   4.403 -11.611   3.554
  903   HD22  ASN  50          2HD2      ASN  50   3.984 -11.416   1.886
  904    H    HIS  51           H        HIS  51   8.036 -12.576   2.287
  905    HA   HIS  51           HA       HIS  51   7.983 -14.229  -0.119
  906    HB2  HIS  51           2HB      HIS  51   8.597 -11.369   0.440
  907    HB3  HIS  51           1HB      HIS  51   9.388 -12.118  -0.943
  908    HD1  HIS  51           1HD      HIS  51   8.124 -11.938  -3.051
  909    HD2  HIS  51           2HD      HIS  51   5.610 -11.816   0.266
  910    HE1  HIS  51           1HE      HIS  51   5.809 -11.548  -3.962
  911    HE2  HIS  51           2HE      HIS  51   4.289 -11.608  -1.958
  912    H    ASP  52           H        ASP  52  10.334 -12.758   2.092
  913    HA   ASP  52           HA       ASP  52  12.458 -14.397   0.934
  914    HB2  ASP  52           2HB      ASP  52  12.421 -12.222   3.015
  915    HB3  ASP  52           1HB      ASP  52  13.826 -13.264   2.800
  916    H    LYS  53           H        LYS  53  11.325 -16.342   1.569
  917    HA   LYS  53           HA       LYS  53  10.657 -17.198   4.081
  918    HB2  LYS  53           2HB      LYS  53  10.325 -18.512   2.023
  919    HB3  LYS  53           1HB      LYS  53  12.056 -18.799   1.928
  920    HG2  LYS  53           2HG      LYS  53  11.895 -19.947   4.146
  921    HG3  LYS  53           1HG      LYS  53  10.141 -19.821   4.006
  922    HD2  LYS  53           2HD      LYS  53  11.976 -21.218   2.062
  923    HD3  LYS  53           1HD      LYS  53  10.948 -22.007   3.258
  924    HE2  LYS  53           2HE      LYS  53   8.965 -21.119   2.159
  925    HE3  LYS  53           1HE      LYS  53   9.977 -20.275   0.987
  926    HZ1  LYS  53           3HZ      LYS  53   9.894 -23.219   1.351
  927    HZ2  LYS  53           1HZ      LYS  53  10.783 -22.382   0.175
  928    HZ3  LYS  53           2HZ      LYS  53   9.089 -22.372   0.121
  929    H    GLN  54           H        GLN  54  13.835 -17.689   2.548
  930    HA   GLN  54           HA       GLN  54  15.132 -17.428   5.153
  931    HB2  GLN  54           2HB      GLN  54  15.554 -19.806   3.328
  932    HB3  GLN  54           1HB      GLN  54  16.424 -19.490   4.821
  933    HG2  GLN  54           2HG      GLN  54  14.394 -19.758   6.100
  934    HG3  GLN  54           1HG      GLN  54  13.461 -19.969   4.621
  935   HE21  GLN  54          1HE2      GLN  54  13.676 -21.898   3.457
  936   HE22  GLN  54          2HE2      GLN  54  14.331 -23.332   4.168
  937    H    LYS  55           H        LYS  55  14.940 -15.883   2.652
  938    HA   LYS  55           HA       LYS  55  17.715 -16.048   1.684
  939    HB2  LYS  55           2HB      LYS  55  15.249 -14.991   0.296
  940    HB3  LYS  55           1HB      LYS  55  16.876 -14.928  -0.368
  941    HG2  LYS  55           2HG      LYS  55  16.964 -17.391  -0.303
  942    HG3  LYS  55           1HG      LYS  55  15.296 -17.409   0.273
  943    HD2  LYS  55           2HD      LYS  55  15.384 -17.797  -2.133
  944    HD3  LYS  55           1HD      LYS  55  14.576 -16.272  -1.772
  945    HE2  LYS  55           2HE      LYS  55  16.128 -16.081  -3.672
  946    HE3  LYS  55           1HE      LYS  55  16.585 -15.038  -2.325
  947    HZ1  LYS  55           3HZ      LYS  55  17.771 -17.722  -2.756
  948    HZ2  LYS  55           1HZ      LYS  55  18.325 -16.495  -1.723
  949    HZ3  LYS  55           2HZ      LYS  55  18.441 -16.305  -3.403
  950    H    LYS  56           H        LYS  56  17.102 -14.665   4.061
  951    HA   LYS  56           HA       LYS  56  17.099 -11.843   3.306
  952    HB2  LYS  56           2HB      LYS  56  17.027 -13.114   6.049
  953    HB3  LYS  56           1HB      LYS  56  16.908 -11.393   5.720
  954    HG2  LYS  56           2HG      LYS  56  14.832 -11.906   4.386
  955    HG3  LYS  56           1HG      LYS  56  14.916 -13.540   5.048
  956    HD2  LYS  56           2HD      LYS  56  14.872 -12.580   7.325
  957    HD3  LYS  56           1HD      LYS  56  14.690 -10.975   6.617
  958    HE2  LYS  56           2HE      LYS  56  12.522 -11.705   7.256
  959    HE3  LYS  56           1HE      LYS  56  12.606 -11.816   5.499
  960    HZ1  LYS  56           3HZ      LYS  56  13.198 -14.159   7.198
  961    HZ2  LYS  56           1HZ      LYS  56  12.716 -14.121   5.572
  962    HZ3  LYS  56           2HZ      LYS  56  11.599 -13.758   6.797
  Start of MODEL   16
    1    H1   GLY   2           1HT      GLY   2 -17.730  12.805 -11.400
    2    H2   GLY   2           2HT      GLY   2 -16.097  12.968 -11.826
    3    H3   GLY   2           3HT      GLY   2 -17.298  13.697 -12.776
    4    HA2  GLY   2           1HA      GLY   2 -16.183  15.338 -11.397
    5    HA3  GLY   2           2HA      GLY   2 -17.885  15.182 -10.978
    6    H    ARG   3           H        ARG   3 -18.295  15.066  -8.878
    7    HA   ARG   3           HA       ARG   3 -16.148  14.222  -7.064
    8    HB2  ARG   3           2HB      ARG   3 -17.277  16.380  -6.621
    9    HB3  ARG   3           1HB      ARG   3 -18.808  15.532  -6.452
   10    HG2  ARG   3           2HG      ARG   3 -17.765  14.235  -4.567
   11    HG3  ARG   3           1HG      ARG   3 -16.396  15.346  -4.665
   12    HD2  ARG   3           2HD      ARG   3 -17.926  16.087  -2.949
   13    HD3  ARG   3           1HD      ARG   3 -17.934  17.232  -4.291
   14    HE   ARG   3           HE       ARG   3 -19.979  15.466  -4.813
   15   HH11  ARG   3          1HH1      ARG   3 -19.181  17.721  -2.241
   16   HH12  ARG   3          2HH1      ARG   3 -20.843  17.983  -1.798
   17   HH21  ARG   3          1HH2      ARG   3 -22.138  15.832  -4.251
   18   HH22  ARG   3          2HH2      ARG   3 -22.534  16.920  -2.953
   19    HA   PRO   4           HA       PRO   4 -18.359  10.348  -7.054
   20    HB2  PRO   4           2HB      PRO   4 -16.515   8.926  -5.667
   21    HB3  PRO   4           1HB      PRO   4 -16.339   9.329  -7.375
   22    HG2  PRO   4           2HG      PRO   4 -15.049  10.554  -4.995
   23    HG3  PRO   4           1HG      PRO   4 -14.396  10.299  -6.620
   24    HD2  PRO   4           2HD      PRO   4 -15.353  12.707  -5.653
   25    HD3  PRO   4           1HD      PRO   4 -15.195  12.295  -7.370
   26    H    TYR   5           H        TYR   5 -20.064  11.038  -5.739
   27    HA   TYR   5           HA       TYR   5 -21.499  10.754  -4.017
   28    HB2  TYR   5           2HB      TYR   5 -19.370   8.953  -2.846
   29    HB3  TYR   5           1HB      TYR   5 -21.047   9.043  -2.318
   30    HD1  TYR   5           1HD      TYR   5 -22.857   8.216  -3.806
   31    HD2  TYR   5           2HD      TYR   5 -18.745   7.711  -4.778
   32    HE1  TYR   5           1HE      TYR   5 -23.460   6.500  -5.459
   33    HE2  TYR   5           2HE      TYR   5 -19.341   5.995  -6.431
   34    HH   TYR   5           HH       TYR   5 -22.592   5.450  -7.419
   35    H    LYS   6           H        LYS   6 -18.326  10.793  -2.356
   36    HA   LYS   6           HA       LYS   6 -19.188  13.141  -0.863
   37    HB2  LYS   6           2HB      LYS   6 -18.502  11.914   1.300
   38    HB3  LYS   6           1HB      LYS   6 -20.077  11.560   0.605
   39    HG2  LYS   6           2HG      LYS   6 -18.975   9.571  -0.519
   40    HG3  LYS   6           1HG      LYS   6 -17.595   9.874   0.536
   41    HD2  LYS   6           2HD      LYS   6 -20.417   9.380   1.476
   42    HD3  LYS   6           1HD      LYS   6 -19.144   8.162   1.422
   43    HE2  LYS   6           2HE      LYS   6 -17.817   9.471   2.993
   44    HE3  LYS   6           1HE      LYS   6 -19.070  10.711   3.030
   45    HZ1  LYS   6           3HZ      LYS   6 -19.151   9.157   4.928
   46    HZ2  LYS   6           1HZ      LYS   6 -19.493   7.888   3.849
   47    HZ3  LYS   6           2HZ      LYS   6 -20.586   9.176   4.020
   48    H    LEU   7           H        LEU   7 -16.610  10.680  -0.496
   49    HA   LEU   7           HA       LEU   7 -14.650  12.855  -0.524
   50    HB2  LEU   7           2HB      LEU   7 -14.395   9.947   0.243
   51    HB3  LEU   7           1HB      LEU   7 -13.052  11.071   0.209
   52    HG   LEU   7           HG       LEU   7 -15.454  11.195   2.032
   53   HD11  LEU   7          1HD1      LEU   7 -13.805   9.507   2.636
   54   HD12  LEU   7          2HD1      LEU   7 -13.802  10.838   3.794
   55   HD13  LEU   7          3HD1      LEU   7 -12.529  10.721   2.580
   56   HD21  LEU   7          3HD2      LEU   7 -14.793  13.449   1.388
   57   HD22  LEU   7          1HD2      LEU   7 -13.118  13.089   1.805
   58   HD23  LEU   7          2HD2      LEU   7 -14.351  13.127   3.065
   59    H    LEU   8           H        LEU   8 -12.482  12.141  -1.636
   60    HA   LEU   8           HA       LEU   8 -13.309  11.794  -4.404
   61    HB2  LEU   8           2HB      LEU   8 -10.627  12.570  -3.253
   62    HB3  LEU   8           1HB      LEU   8 -11.070  12.626  -4.950
   63    HG   LEU   8           HG       LEU   8 -12.312  14.302  -2.763
   64   HD11  LEU   8          1HD1      LEU   8 -10.379  15.033  -4.954
   65   HD12  LEU   8          2HD1      LEU   8 -10.017  14.952  -3.230
   66   HD13  LEU   8          3HD1      LEU   8 -11.149  16.161  -3.837
   67   HD21  LEU   8          3HD2      LEU   8 -13.367  15.511  -4.627
   68   HD22  LEU   8          1HD2      LEU   8 -13.901  13.832  -4.536
   69   HD23  LEU   8          2HD2      LEU   8 -12.719  14.316  -5.752
   70    H    ASN   9           H        ASN   9 -13.464   9.429  -3.023
   71    HA   ASN   9           HA       ASN   9 -12.998   7.224  -3.216
   72    HB2  ASN   9           2HB      ASN   9 -11.354   8.179  -5.557
   73    HB3  ASN   9           1HB      ASN   9 -11.565   6.478  -5.154
   74   HD21  ASN   9          1HD2      ASN   9 -12.379   8.074  -7.501
   75   HD22  ASN   9          2HD2      ASN   9 -14.080   7.796  -7.660
   76    H    GLY  10           H        GLY  10  -9.850   8.651  -4.077
   77    HA2  GLY  10           2HA      GLY  10  -8.599   6.869  -2.109
   78    HA3  GLY  10           1HA      GLY  10  -7.773   7.703  -3.421
   79    H    ILE  11           H        ILE  11  -7.693   7.590  -0.316
   80    HA   ILE  11           HA       ILE  11  -7.807  10.504   0.154
   81    HB   ILE  11           HB       ILE  11  -8.075   8.424   2.319
   82   HG12  ILE  11          2HG1      ILE  11  -9.895   8.034   0.729
   83   HG13  ILE  11          1HG1      ILE  11 -10.507   8.706   2.238
   84   HG21  ILE  11          1HG2      ILE  11  -7.497  10.639   3.084
   85   HG22  ILE  11          2HG2      ILE  11  -9.165  10.281   3.532
   86   HG23  ILE  11          3HG2      ILE  11  -8.829  11.337   2.162
   87   HD11  ILE  11          3HD1      ILE  11 -11.607   9.694   0.316
   88   HD12  ILE  11          1HD1      ILE  11 -10.050  10.217  -0.324
   89   HD13  ILE  11          2HD1      ILE  11 -10.659  10.904   1.183
   90    H    LYS  12           H        LYS  12  -6.171  11.350   1.599
   91    HA   LYS  12           HA       LYS  12  -3.663   9.958   1.015
   92    HB2  LYS  12           2HB      LYS  12  -4.092  12.270   0.115
   93    HB3  LYS  12           1HB      LYS  12  -4.073  12.857   1.770
   94    HG2  LYS  12           2HG      LYS  12  -1.951  13.245   0.659
   95    HG3  LYS  12           1HG      LYS  12  -1.769  12.132   2.016
   96    HD2  LYS  12           2HD      LYS  12  -1.634  10.254   0.556
   97    HD3  LYS  12           1HD      LYS  12  -2.098  11.234  -0.838
   98    HE2  LYS  12           2HE      LYS  12   0.399  11.691   0.781
   99    HE3  LYS  12           1HE      LYS  12   0.346  10.700  -0.676
  100    HZ1  LYS  12           3HZ      LYS  12  -0.622  13.487  -0.725
  101    HZ2  LYS  12           1HZ      LYS  12  -0.064  12.527  -2.006
  102    HZ3  LYS  12           2HZ      LYS  12   1.030  13.149  -0.869
  103    H    LEU  13           H        LEU  13  -2.355   9.281   2.514
  104    HA   LEU  13           HA       LEU  13  -2.692  10.187   5.288
  105    HB2  LEU  13           2HB      LEU  13  -2.034   7.816   5.930
  106    HB3  LEU  13           1HB      LEU  13  -3.661   8.048   5.317
  107    HG   LEU  13           HG       LEU  13  -1.568   7.251   3.358
  108   HD11  LEU  13          1HD1      LEU  13  -1.100   5.767   5.230
  109   HD12  LEU  13          2HD1      LEU  13  -1.883   4.884   3.917
  110   HD13  LEU  13          3HD1      LEU  13  -2.809   5.351   5.342
  111   HD21  LEU  13          3HD2      LEU  13  -3.866   7.717   2.647
  112   HD22  LEU  13          1HD2      LEU  13  -4.462   6.494   3.772
  113   HD23  LEU  13          2HD2      LEU  13  -3.454   6.017   2.405
  114    H    GLY  14           H        GLY  14  -0.809  10.332   6.494
  115    HA2  GLY  14           2HA      GLY  14   1.610  10.451   4.823
  116    HA3  GLY  14           1HA      GLY  14   1.336  11.364   6.301
  117    H    VAL  15           H        VAL  15   3.123   8.978   5.070
  118    HA   VAL  15           HA       VAL  15   3.166   7.419   7.572
  119    HB   VAL  15           HB       VAL  15   4.245   6.475   4.915
  120   HG11  VAL  15          1HG1      VAL  15   3.449   5.004   7.420
  121   HG12  VAL  15          2HG1      VAL  15   5.094   5.304   6.860
  122   HG13  VAL  15          3HG1      VAL  15   4.025   4.254   5.930
  123   HG21  VAL  15          3HG2      VAL  15   1.866   6.936   4.626
  124   HG22  VAL  15          1HG2      VAL  15   1.499   5.947   6.039
  125   HG23  VAL  15          2HG2      VAL  15   2.188   5.201   4.596
  126    H    TYR  16           H        TYR  16   5.198   6.902   8.459
  127    HA   TYR  16           HA       TYR  16   7.532   8.204   7.248
  128    HB2  TYR  16           2HB      TYR  16   6.327   8.815   9.817
  129    HB3  TYR  16           1HB      TYR  16   7.997   8.285   9.997
  130    HD1  TYR  16           1HD      TYR  16   9.640   9.380   8.209
  131    HD2  TYR  16           2HD      TYR  16   5.972  11.077   9.521
  132    HE1  TYR  16           1HE      TYR  16  10.436  11.598   7.539
  133    HE2  TYR  16           2HE      TYR  16   6.762  13.307   8.861
  134    HH   TYR  16           HH       TYR  16   8.818  14.486   8.460
  135    H    ILE  17           H        ILE  17   9.040   6.737   6.853
  136    HA   ILE  17           HA       ILE  17   9.352   4.494   8.714
  137    HB   ILE  17           HB       ILE  17   9.511   2.855   6.885
  138   HG12  ILE  17          2HG1      ILE  17   8.487   5.103   5.138
  139   HG13  ILE  17          1HG1      ILE  17  10.092   4.387   5.054
  140   HG21  ILE  17          1HG2      ILE  17   7.120   2.651   6.441
  141   HG22  ILE  17          2HG2      ILE  17   6.878   4.324   6.947
  142   HG23  ILE  17          3HG2      ILE  17   7.418   3.120   8.117
  143   HD11  ILE  17          3HD1      ILE  17   7.512   2.933   4.521
  144   HD12  ILE  17          1HD1      ILE  17   9.138   2.272   4.363
  145   HD13  ILE  17          2HD1      ILE  17   8.604   3.568   3.289
  146    HA   PRO  18           HA       PRO  18  13.577   5.130   8.543
  147    HB2  PRO  18           2HB      PRO  18  14.711   2.668   8.217
  148    HB3  PRO  18           1HB      PRO  18  13.958   3.215   9.721
  149    HG2  PRO  18           2HG      PRO  18  12.822   1.495   7.546
  150    HG3  PRO  18           1HG      PRO  18  12.711   1.293   9.306
  151    HD2  PRO  18           2HD      PRO  18  10.685   2.317   7.873
  152    HD3  PRO  18           1HD      PRO  18  11.057   2.896   9.508
  153    H    GLN  19           H        GLN  19  15.570   5.161   7.358
  154    HA   GLN  19           HA       GLN  19  15.200   5.586   4.593
  155    HB2  GLN  19           2HB      GLN  19  17.584   6.016   4.493
  156    HB3  GLN  19           1HB      GLN  19  16.908   6.760   5.935
  157    HG2  GLN  19           2HG      GLN  19  18.582   5.814   7.041
  158    HG3  GLN  19           1HG      GLN  19  17.719   4.293   6.839
  159   HE21  GLN  19          1HE2      GLN  19  18.207   4.262   3.922
  160   HE22  GLN  19          2HE2      GLN  19  19.864   3.801   3.745
  161    H    GLU  20           H        GLU  20  16.452   2.865   6.435
  162    HA   GLU  20           HA       GLU  20  17.484   1.342   4.325
  163    HB2  GLU  20           2HB      GLU  20  16.337   0.578   7.002
  164    HB3  GLU  20           1HB      GLU  20  16.970  -0.622   5.881
  165    HG2  GLU  20           2HG      GLU  20  18.539   1.721   6.926
  166    HG3  GLU  20           1HG      GLU  20  18.585   0.097   7.613
  167    H    TRP  21           H        TRP  21  14.220   1.848   5.410
  168    HA   TRP  21           HA       TRP  21  13.118  -0.331   3.906
  169    HB2  TRP  21           2HB      TRP  21  12.147   1.772   5.708
  170    HB3  TRP  21           1HB      TRP  21  11.036   1.398   4.396
  171    HD1  TRP  21           HD       TRP  21  13.115  -1.415   5.992
  172    HE1  TRP  21           1HE      TRP  21  11.489  -2.976   7.252
  173    HE3  TRP  21           3HE      TRP  21   8.878   1.347   5.555
  174    HZ2  TRP  21           2HZ      TRP  21   8.731  -3.004   7.962
  175    HZ3  TRP  21           3HZ      TRP  21   6.801   0.518   6.535
  176    HH2  TRP  21           HH       TRP  21   6.709  -1.599   7.708
  177    H    HIS  22           H        HIS  22  13.287   3.203   3.578
  178    HA   HIS  22           HA       HIS  22  11.935   3.406   1.133
  179    HB2  HIS  22           2HB      HIS  22  14.035   5.117   2.441
  180    HB3  HIS  22           1HB      HIS  22  13.445   5.494   0.824
  181    HD1  HIS  22           1HD      HIS  22  11.202   6.642   0.634
  182    HD2  HIS  22           2HD      HIS  22  12.059   5.352   4.499
  183    HE1  HIS  22           1HE      HIS  22   9.447   7.684   2.101
  184    HE2  HIS  22           2HE      HIS  22  10.077   7.020   4.450
  185    H    ASP  23           H        ASP  23  15.384   2.890   1.827
  186    HA   ASP  23           HA       ASP  23  16.333   3.016  -0.790
  187    HB2  ASP  23           2HB      ASP  23  17.857   3.010   1.078
  188    HB3  ASP  23           1HB      ASP  23  17.331   1.399   1.559
  189    H    ARG  24           H        ARG  24  15.265   0.126   1.039
  190    HA   ARG  24           HA       ARG  24  15.816  -1.612  -1.190
  191    HB2  ARG  24           2HB      ARG  24  14.115  -2.298   1.202
  192    HB3  ARG  24           1HB      ARG  24  15.008  -3.397   0.166
  193    HG2  ARG  24           2HG      ARG  24  16.202  -1.414   2.086
  194    HG3  ARG  24           1HG      ARG  24  16.049  -3.147   2.347
  195    HD2  ARG  24           2HD      ARG  24  17.463  -3.431   0.246
  196    HD3  ARG  24           1HD      ARG  24  17.813  -1.706   0.386
  197    HE   ARG  24           HE       ARG  24  18.804  -3.839   2.067
  198   HH11  ARG  24          1HH1      ARG  24  18.471  -0.359   1.684
  199   HH12  ARG  24          2HH1      ARG  24  19.425   0.005   3.095
  200   HH21  ARG  24          1HH2      ARG  24  20.104  -3.345   3.870
  201   HH22  ARG  24          2HH2      ARG  24  20.359  -1.686   4.329
  202    H    LEU  25           H        LEU  25  12.906  -0.179   0.228
  203    HA   LEU  25           HA       LEU  25  11.059  -1.621  -1.347
  204    HB2  LEU  25           2HB      LEU  25  10.873   1.000   0.117
  205    HB3  LEU  25           1HB      LEU  25   9.523   0.357  -0.808
  206    HG   LEU  25           HG       LEU  25  10.848  -0.981   1.557
  207   HD11  LEU  25          1HD1      LEU  25   9.534   0.952   2.202
  208   HD12  LEU  25          2HD1      LEU  25   8.717  -0.535   2.685
  209   HD13  LEU  25          3HD1      LEU  25   8.162   0.356   1.267
  210   HD21  LEU  25          3HD2      LEU  25  10.023  -2.610  -0.064
  211   HD22  LEU  25          1HD2      LEU  25   8.446  -1.819  -0.069
  212   HD23  LEU  25          2HD2      LEU  25   9.034  -2.608   1.395
  213    H    MET  26           H        MET  26  12.451   1.642  -1.772
  214    HA   MET  26           HA       MET  26  11.182   2.091  -4.257
  215    HB2  MET  26           2HB      MET  26  13.683   3.330  -3.107
  216    HB3  MET  26           1HB      MET  26  12.871   3.896  -4.559
  217    HG2  MET  26           2HG      MET  26  11.686   3.816  -1.797
  218    HG3  MET  26           1HG      MET  26  12.293   5.246  -2.622
  219    HE1  MET  26           3HE      MET  26   9.734   5.686  -5.538
  220    HE2  MET  26           1HE      MET  26  11.298   4.873  -5.582
  221    HE3  MET  26           2HE      MET  26  11.115   6.384  -4.693
  222    H    GLU  27           H        GLU  27  14.033   0.348  -3.366
  223    HA   GLU  27           HA       GLU  27  15.238   0.239  -5.928
  224    HB2  GLU  27           2HB      GLU  27  16.333  -0.337  -3.738
  225    HB3  GLU  27           1HB      GLU  27  15.395  -1.822  -3.725
  226    HG2  GLU  27           2HG      GLU  27  16.501  -2.606  -5.695
  227    HG3  GLU  27           1HG      GLU  27  17.334  -1.062  -5.891
  228    H    ILE  28           H        ILE  28  13.104  -2.001  -4.182
  229    HA   ILE  28           HA       ILE  28  12.614  -3.773  -6.329
  230    HB   ILE  28           HB       ILE  28  10.721  -2.992  -4.096
  231   HG12  ILE  28          2HG1      ILE  28  12.890  -3.844  -3.272
  232   HG13  ILE  28          1HG1      ILE  28  11.560  -4.932  -2.896
  233   HG21  ILE  28          1HG2      ILE  28   9.665  -5.169  -4.502
  234   HG22  ILE  28          2HG2      ILE  28  10.730  -5.415  -5.886
  235   HG23  ILE  28          3HG2      ILE  28   9.552  -4.102  -5.902
  236   HD11  ILE  28          3HD1      ILE  28  12.210  -6.377  -4.744
  237   HD12  ILE  28          1HD1      ILE  28  13.543  -6.149  -3.611
  238   HD13  ILE  28          2HD1      ILE  28  13.529  -5.278  -5.146
  239    H    ALA  29           H        ALA  29  11.183  -0.739  -5.350
  240    HA   ALA  29           HA       ALA  29   9.043  -0.640  -7.173
  241    HB1  ALA  29           1HB      ALA  29   9.283   0.778  -5.159
  242    HB2  ALA  29           2HB      ALA  29   8.890   1.687  -6.617
  243    HB3  ALA  29           3HB      ALA  29  10.541   1.689  -5.996
  244    H    LYS  30           H        LYS  30  12.426  -0.193  -7.636
  245    HA   LYS  30           HA       LYS  30  12.167   1.315 -10.073
  246    HB2  LYS  30           2HB      LYS  30  14.471  -0.107  -8.751
  247    HB3  LYS  30           1HB      LYS  30  14.620   0.621 -10.346
  248    HG2  LYS  30           2HG      LYS  30  14.091   2.806  -9.409
  249    HG3  LYS  30           1HG      LYS  30  13.890   2.082  -7.811
  250    HD2  LYS  30           2HD      LYS  30  16.218   1.402  -7.797
  251    HD3  LYS  30           1HD      LYS  30  16.433   2.022  -9.434
  252    HE2  LYS  30           2HE      LYS  30  17.332   3.607  -7.859
  253    HE3  LYS  30           1HE      LYS  30  15.890   4.285  -8.610
  254    HZ1  LYS  30           3HZ      LYS  30  14.625   3.786  -6.652
  255    HZ2  LYS  30           1HZ      LYS  30  16.006   4.665  -6.201
  256    HZ3  LYS  30           2HZ      LYS  30  15.944   2.990  -5.933
  257    H    GLU  31           H        GLU  31  12.890  -2.018  -9.176
  258    HA   GLU  31           HA       GLU  31  13.160  -3.050 -11.772
  259    HB2  GLU  31           2HB      GLU  31  12.143  -4.467  -9.305
  260    HB3  GLU  31           1HB      GLU  31  12.710  -5.247 -10.771
  261    HG2  GLU  31           2HG      GLU  31  14.949  -4.305 -10.374
  262    HG3  GLU  31           1HG      GLU  31  14.355  -3.608  -8.863
  263    H    LYS  32           H        LYS  32  10.327  -2.738  -9.668
  264    HA   LYS  32           HA       LYS  32   8.677  -4.122 -11.643
  265    HB2  LYS  32           2HB      LYS  32   8.300  -3.426  -8.748
  266    HB3  LYS  32           1HB      LYS  32   6.924  -3.870  -9.741
  267    HG2  LYS  32           2HG      LYS  32   7.752  -5.777  -8.478
  268    HG3  LYS  32           1HG      LYS  32   7.944  -6.038 -10.211
  269    HD2  LYS  32           2HD      LYS  32  10.299  -5.482 -10.058
  270    HD3  LYS  32           1HD      LYS  32  10.126  -5.109  -8.342
  271    HE2  LYS  32           2HE      LYS  32   9.752  -7.370  -7.788
  272    HE3  LYS  32           1HE      LYS  32   9.455  -7.815  -9.470
  273    HZ1  LYS  32           3HZ      LYS  32  12.080  -6.895  -8.401
  274    HZ2  LYS  32           1HZ      LYS  32  11.760  -7.443  -9.975
  275    HZ3  LYS  32           2HZ      LYS  32  11.657  -8.518  -8.669
  276    H    ASN  33           H        ASN  33   9.494  -0.990 -10.953
  277    HA   ASN  33           HA       ASN  33   8.700   1.060 -11.498
  278    HB2  ASN  33           2HB      ASN  33   8.353   0.017 -13.730
  279    HB3  ASN  33           1HB      ASN  33   6.712  -0.404 -13.249
  280   HD21  ASN  33          1HD2      ASN  33   5.770   0.837 -14.847
  281   HD22  ASN  33          2HD2      ASN  33   5.781   2.571 -14.812
  282    H    LEU  34           H        LEU  34   8.025   0.915  -9.222
  283    HA   LEU  34           HA       LEU  34   5.166   1.498  -8.955
  284    HB2  LEU  34           2HB      LEU  34   6.758  -0.394  -7.220
  285    HB3  LEU  34           1HB      LEU  34   5.209   0.281  -6.747
  286    HG   LEU  34           HG       LEU  34   5.638  -1.453  -9.182
  287   HD11  LEU  34          1HD1      LEU  34   4.473  -2.164  -6.492
  288   HD12  LEU  34          2HD1      LEU  34   6.039  -2.695  -7.104
  289   HD13  LEU  34          3HD1      LEU  34   4.556  -3.218  -7.902
  290   HD21  LEU  34          3HD2      LEU  34   3.745   0.056  -9.392
  291   HD22  LEU  34          1HD2      LEU  34   3.139  -0.457  -7.816
  292   HD23  LEU  34          2HD2      LEU  34   3.184  -1.600  -9.158
  293    H    THR  35           H        THR  35   4.730   2.705  -6.879
  294    HA   THR  35           HA       THR  35   7.171   3.992  -5.844
  295    HB   THR  35           HB       THR  35   5.752   5.669  -4.798
  296    HG1  THR  35           1HG      THR  35   3.550   4.232  -5.934
  297   HG21  THR  35          3HG2      THR  35   4.935   5.233  -7.671
  298   HG22  THR  35          1HG2      THR  35   6.394   6.064  -7.124
  299   HG23  THR  35          2HG2      THR  35   4.806   6.748  -6.776
  300    H    LEU  36           H        LEU  36   7.460   4.012  -3.480
  301    HA   LEU  36           HA       LEU  36   6.975   1.513  -2.334
  302    HB2  LEU  36           2HB      LEU  36   7.879   2.333  -0.320
  303    HB3  LEU  36           1HB      LEU  36   8.738   3.139  -1.614
  304    HG   LEU  36           HG       LEU  36   6.503   4.402  -0.020
  305   HD11  LEU  36          1HD1      LEU  36   8.431   3.870   1.388
  306   HD12  LEU  36          2HD1      LEU  36   8.250   5.609   1.157
  307   HD13  LEU  36          3HD1      LEU  36   9.485   4.725   0.261
  308   HD21  LEU  36          3HD2      LEU  36   7.388   6.501  -0.954
  309   HD22  LEU  36          1HD2      LEU  36   6.793   5.417  -2.212
  310   HD23  LEU  36          2HD2      LEU  36   8.528   5.574  -1.929
  311    H    SER  37           H        SER  37   5.156   4.488  -2.196
  312    HA   SER  37           HA       SER  37   3.283   3.913  -0.244
  313    HB2  SER  37           2HB      SER  37   2.685   5.338  -2.841
  314    HB3  SER  37           1HB      SER  37   1.943   5.607  -1.261
  315    HG   SER  37           HG       SER  37   3.432   7.183  -1.401
  316    H    ASP  38           H        ASP  38   3.265   3.026  -3.691
  317    HA   ASP  38           HA       ASP  38   0.753   1.737  -3.716
  318    HB2  ASP  38           2HB      ASP  38   3.213   1.167  -5.402
  319    HB3  ASP  38           1HB      ASP  38   1.607   0.526  -5.720
  320    H    VAL  39           H        VAL  39   3.998   0.686  -2.934
  321    HA   VAL  39           HA       VAL  39   3.502  -2.079  -2.859
  322    HB   VAL  39           HB       VAL  39   5.609  -0.560  -1.312
  323   HG11  VAL  39          1HG1      VAL  39   5.334  -2.847  -0.536
  324   HG12  VAL  39          2HG1      VAL  39   6.861  -2.669  -1.400
  325   HG13  VAL  39          3HG1      VAL  39   5.487  -3.446  -2.188
  326   HG21  VAL  39          3HG2      VAL  39   5.721  -1.722  -4.094
  327   HG22  VAL  39          1HG2      VAL  39   7.086  -1.033  -3.213
  328   HG23  VAL  39          2HG2      VAL  39   5.725  -0.010  -3.674
  329    H    CYS  40           H        CYS  40   3.157   0.438  -0.380
  330    HA   CYS  40           HA       CYS  40   2.793  -1.406   1.771
  331    HB2  CYS  40           2HB      CYS  40   1.639   1.388   1.791
  332    HB3  CYS  40           1HB      CYS  40   2.308   0.452   3.120
  333    HG   CYS  40           HG       CYS  40   4.418   1.377   0.627
  334    H    ARG  41           H        ARG  41   0.460   0.617   0.012
  335    HA   ARG  41           HA       ARG  41  -1.925  -0.443   0.740
  336    HB2  ARG  41           2HB      ARG  41  -1.750   1.417  -0.760
  337    HB3  ARG  41           1HB      ARG  41  -0.908   0.458  -1.958
  338    HG2  ARG  41           2HG      ARG  41  -3.707  -0.245  -1.201
  339    HG3  ARG  41           1HG      ARG  41  -3.396   1.101  -2.297
  340    HD2  ARG  41           2HD      ARG  41  -2.000  -0.503  -3.660
  341    HD3  ARG  41           1HD      ARG  41  -2.665  -1.793  -2.658
  342    HE   ARG  41           HE       ARG  41  -4.298  -0.013  -4.361
  343   HH11  ARG  41          1HH1      ARG  41  -3.662  -3.127  -2.887
  344   HH12  ARG  41          2HH1      ARG  41  -4.962  -3.931  -3.715
  345   HH21  ARG  41          1HH2      ARG  41  -6.007  -1.069  -5.460
  346   HH22  ARG  41          2HH2      ARG  41  -6.290  -2.762  -5.170
  347    H    LEU  42           H        LEU  42   0.232  -1.769  -1.785
  348    HA   LEU  42           HA       LEU  42  -1.421  -4.001  -2.385
  349    HB2  LEU  42           2HB      LEU  42   1.549  -3.630  -2.787
  350    HB3  LEU  42           1HB      LEU  42   0.593  -4.920  -3.490
  351    HG   LEU  42           HG       LEU  42   0.202  -1.980  -4.061
  352   HD11  LEU  42          1HD1      LEU  42   1.175  -2.487  -6.246
  353   HD12  LEU  42          2HD1      LEU  42   1.507  -4.135  -5.717
  354   HD13  LEU  42          3HD1      LEU  42   2.324  -2.780  -4.941
  355   HD21  LEU  42          3HD2      LEU  42  -1.017  -4.447  -5.300
  356   HD22  LEU  42          1HD2      LEU  42  -1.219  -2.800  -5.898
  357   HD23  LEU  42          2HD2      LEU  42  -1.849  -3.247  -4.312
  358    H    ALA  43           H        ALA  43   1.036  -3.381  -0.013
  359    HA   ALA  43           HA       ALA  43   1.514  -6.072   0.727
  360    HB1  ALA  43           1HB      ALA  43   3.125  -4.314   1.180
  361    HB2  ALA  43           2HB      ALA  43   2.646  -5.136   2.666
  362    HB3  ALA  43           3HB      ALA  43   1.984  -3.546   2.284
  363    H    ILE  44           H        ILE  44  -0.778  -3.610   1.757
  364    HA   ILE  44           HA       ILE  44  -1.722  -4.973   4.049
  365    HB   ILE  44           HB       ILE  44  -3.127  -2.968   2.265
  366   HG12  ILE  44          2HG1      ILE  44  -1.712  -2.741   4.930
  367   HG13  ILE  44          1HG1      ILE  44  -1.224  -2.009   3.403
  368   HG21  ILE  44          1HG2      ILE  44  -4.758  -2.714   4.082
  369   HG22  ILE  44          2HG2      ILE  44  -3.989  -4.042   4.951
  370   HG23  ILE  44          3HG2      ILE  44  -4.783  -4.341   3.405
  371   HD11  ILE  44          3HD1      ILE  44  -3.182  -0.563   3.464
  372   HD12  ILE  44          1HD1      ILE  44  -2.221  -0.383   4.931
  373   HD13  ILE  44          2HD1      ILE  44  -3.712  -1.326   4.962
  374    H    LYS  45           H        LYS  45  -2.616  -5.001   0.646
  375    HA   LYS  45           HA       LYS  45  -4.803  -6.711   0.781
  376    HB2  LYS  45           2HB      LYS  45  -4.323  -5.654  -1.299
  377    HB3  LYS  45           1HB      LYS  45  -2.701  -6.333  -1.348
  378    HG2  LYS  45           2HG      LYS  45  -3.639  -8.566  -1.663
  379    HG3  LYS  45           1HG      LYS  45  -5.268  -7.887  -1.615
  380    HD2  LYS  45           2HD      LYS  45  -4.897  -6.665  -3.628
  381    HD3  LYS  45           1HD      LYS  45  -3.172  -7.042  -3.610
  382    HE2  LYS  45           2HE      LYS  45  -4.430  -8.400  -5.241
  383    HE3  LYS  45           1HE      LYS  45  -3.636  -9.376  -4.008
  384    HZ1  LYS  45           3HZ      LYS  45  -5.940 -10.067  -4.527
  385    HZ2  LYS  45           1HZ      LYS  45  -6.498  -8.593  -3.904
  386    HZ3  LYS  45           2HZ      LYS  45  -5.702  -9.697  -2.892
  387    H    GLU  46           H        GLU  46  -1.346  -7.509   0.523
  388    HA   GLU  46           HA       GLU  46  -1.790 -10.327   0.437
  389    HB2  GLU  46           2HB      GLU  46   0.252  -9.171  -0.467
  390    HB3  GLU  46           1HB      GLU  46   0.751  -8.862   1.191
  391    HG2  GLU  46           2HG      GLU  46   1.009 -11.193   1.626
  392    HG3  GLU  46           1HG      GLU  46   0.267 -11.618   0.085
  393    H    TYR  47           H        TYR  47  -1.137  -7.959   2.921
  394    HA   TYR  47           HA       TYR  47  -0.571  -9.685   5.047
  395    HB2  TYR  47           2HB      TYR  47  -0.125  -7.258   5.092
  396    HB3  TYR  47           1HB      TYR  47  -1.856  -6.944   5.126
  397    HD1  TYR  47           2HD      TYR  47   0.989  -8.279   7.046
  398    HD2  TYR  47           1HD      TYR  47  -3.101  -7.122   7.158
  399    HE1  TYR  47           2HE      TYR  47   1.031  -8.395   9.501
  400    HE2  TYR  47           1HE      TYR  47  -3.074  -7.232   9.612
  401    HH   TYR  47           HH       TYR  47  -0.143  -7.636  11.416
  402    H    LEU  48           H        LEU  48  -3.627  -8.274   3.923
  403    HA   LEU  48           HA       LEU  48  -5.268  -9.432   5.907
  404    HB2  LEU  48           2HB      LEU  48  -6.000  -8.695   3.069
  405    HB3  LEU  48           1HB      LEU  48  -7.130  -8.977   4.378
  406    HG   LEU  48           HG       LEU  48  -5.156  -6.700   4.196
  407   HD11  LEU  48          1HD1      LEU  48  -8.163  -6.756   3.983
  408   HD12  LEU  48          2HD1      LEU  48  -7.029  -6.465   2.663
  409   HD13  LEU  48          3HD1      LEU  48  -7.156  -5.309   3.989
  410   HD21  LEU  48          3HD2      LEU  48  -5.484  -7.422   6.505
  411   HD22  LEU  48          1HD2      LEU  48  -7.231  -7.309   6.299
  412   HD23  LEU  48          2HD2      LEU  48  -6.237  -5.854   6.215
  413    H    ASP  49           H        ASP  49  -4.094 -10.523   2.819
  414    HA   ASP  49           HA       ASP  49  -5.757 -12.760   2.475
  415    HB2  ASP  49           2HB      ASP  49  -4.264 -11.586   0.776
  416    HB3  ASP  49           1HB      ASP  49  -2.935 -12.520   1.453
  417    H    ASN  50           H        ASN  50  -2.524 -12.432   3.979
  418    HA   ASN  50           HA       ASN  50  -2.231 -15.235   4.455
  419    HB2  ASN  50           2HB      ASN  50  -0.835 -12.950   5.853
  420    HB3  ASN  50           1HB      ASN  50  -0.284 -14.617   5.746
  421   HD21  ASN  50          1HD2      ASN  50   0.595 -11.843   4.804
  422   HD22  ASN  50          2HD2      ASN  50   1.095 -12.119   3.171
  423    H    HIS  51           H        HIS  51  -3.612 -12.586   6.284
  424    HA   HIS  51           HA       HIS  51  -3.619 -14.180   8.721
  425    HB2  HIS  51           2HB      HIS  51  -4.355 -11.314   8.164
  426    HB3  HIS  51           1HB      HIS  51  -4.675 -12.084   9.715
  427    HD1  HIS  51           1HD      HIS  51  -2.856 -11.841  11.393
  428    HD2  HIS  51           2HD      HIS  51  -1.439 -11.494   7.494
  429    HE1  HIS  51           1HE      HIS  51  -0.406 -11.307  11.602
  430    HE2  HIS  51           2HE      HIS  51   0.462 -11.238   9.228
  431    H    ASP  52           H        ASP  52  -5.554 -13.826   6.088
  432    HA   ASP  52           HA       ASP  52  -7.584 -14.624   5.530
  433    HB2  ASP  52           2HB      ASP  52  -6.641 -16.578   6.755
  434    HB3  ASP  52           1HB      ASP  52  -7.468 -16.029   8.207
  435    H    LYS  53           H        LYS  53  -9.928 -15.102   6.765
  436    HA   LYS  53           HA       LYS  53 -10.806 -12.461   7.509
  437    HB2  LYS  53           2HB      LYS  53 -12.124 -13.881   5.990
  438    HB3  LYS  53           1HB      LYS  53 -12.307 -15.077   7.266
  439    HG2  LYS  53           2HG      LYS  53 -13.466 -13.284   8.609
  440    HG3  LYS  53           1HG      LYS  53 -13.482 -12.318   7.129
  441    HD2  LYS  53           2HD      LYS  53 -14.642 -14.218   5.996
  442    HD3  LYS  53           1HD      LYS  53 -14.763 -15.009   7.570
  443    HE2  LYS  53           2HE      LYS  53 -16.828 -13.873   7.118
  444    HE3  LYS  53           1HE      LYS  53 -15.984 -13.027   8.415
  445    HZ1  LYS  53           3HZ      LYS  53 -15.276 -11.348   6.890
  446    HZ2  LYS  53           1HZ      LYS  53 -16.950 -11.541   6.707
  447    HZ3  LYS  53           2HZ      LYS  53 -15.888 -12.207   5.563
  448    H    GLN  54           H        GLN  54 -10.449 -15.627   9.020
  449    HA   GLN  54           HA       GLN  54 -11.754 -14.722  11.451
  450    HB2  GLN  54           2HB      GLN  54 -11.555 -17.017  12.205
  451    HB3  GLN  54           1HB      GLN  54 -12.185 -16.990  10.565
  452    HG2  GLN  54           2HG      GLN  54  -9.893 -17.477   9.740
  453    HG3  GLN  54           1HG      GLN  54  -9.376 -17.650  11.415
  454   HE21  GLN  54          1HE2      GLN  54  -9.367 -19.604   9.262
  455   HE22  GLN  54          2HE2      GLN  54 -10.328 -20.936   9.816
  456    H    LYS  55           H        LYS  55 -10.803 -14.587  13.469
  457    HA   LYS  55           HA       LYS  55  -7.875 -14.804  13.588
  458    HB2  LYS  55           2HB      LYS  55  -9.577 -12.603  14.779
  459    HB3  LYS  55           1HB      LYS  55  -7.896 -12.874  15.208
  460    HG2  LYS  55           2HG      LYS  55  -7.795 -11.156  13.657
  461    HG3  LYS  55           1HG      LYS  55  -7.421 -12.589  12.700
  462    HD2  LYS  55           2HD      LYS  55  -9.853 -12.667  12.061
  463    HD3  LYS  55           1HD      LYS  55 -10.034 -11.094  12.837
  464    HE2  LYS  55           2HE      LYS  55  -9.715 -10.890  10.414
  465    HE3  LYS  55           1HE      LYS  55  -8.406 -10.131  11.318
  466    HZ1  LYS  55           3HZ      LYS  55  -6.922 -11.761  10.720
  467    HZ2  LYS  55           1HZ      LYS  55  -7.861 -11.649   9.315
  468    HZ3  LYS  55           2HZ      LYS  55  -8.121 -12.917  10.403
  469    H    LYS  56           H        LYS  56  -8.170 -16.870  14.491
  470    HA   LYS  56           HA       LYS  56  -8.931 -16.825  17.309
  471    HB2  LYS  56           2HB      LYS  56 -10.901 -17.633  16.013
  472    HB3  LYS  56           1HB      LYS  56  -9.909 -18.932  15.367
  473    HG2  LYS  56           2HG      LYS  56 -11.259 -19.764  17.174
  474    HG3  LYS  56           1HG      LYS  56  -9.562 -19.770  17.660
  475    HD2  LYS  56           2HD      LYS  56  -9.976 -17.553  18.764
  476    HD3  LYS  56           1HD      LYS  56 -11.695 -17.792  18.448
  477    HE2  LYS  56           2HE      LYS  56 -11.185 -18.479  20.702
  478    HE3  LYS  56           1HE      LYS  56 -11.603 -19.895  19.738
  479    HZ1  LYS  56           3HZ      LYS  56  -9.634 -20.176  21.207
  480    HZ2  LYS  56           1HZ      LYS  56  -8.813 -19.027  20.265
  481    HZ3  LYS  56           2HZ      LYS  56  -9.321 -20.492  19.569
  482    H1   GLY   2           1HT      GLY   2  18.201  14.285  18.880
  483    H2   GLY   2           2HT      GLY   2  19.808  14.754  19.162
  484    H3   GLY   2           3HT      GLY   2  19.015  13.745  20.263
  485    HA2  GLY   2           1HA      GLY   2  20.600  12.542  18.844
  486    HA3  GLY   2           2HA      GLY   2  18.947  11.953  18.718
  487    H    ARG   3           H        ARG   3  21.082  11.672  16.787
  488    HA   ARG   3           HA       ARG   3  19.573  12.487  14.484
  489    HB2  ARG   3           2HB      ARG   3  20.941  14.523  14.966
  490    HB3  ARG   3           1HB      ARG   3  22.392  13.551  14.758
  491    HG2  ARG   3           2HG      ARG   3  21.805  13.116  12.447
  492    HG3  ARG   3           1HG      ARG   3  20.299  14.015  12.641
  493    HD2  ARG   3           2HD      ARG   3  21.938  15.412  11.547
  494    HD3  ARG   3           1HD      ARG   3  21.608  16.038  13.164
  495    HE   ARG   3           HE       ARG   3  23.828  14.295  13.245
  496   HH11  ARG   3          1HH1      ARG   3  22.952  17.496  12.111
  497   HH12  ARG   3          2HH1      ARG   3  24.557  18.132  12.282
  498   HH21  ARG   3          1HH2      ARG   3  25.933  15.122  13.452
  499   HH22  ARG   3          2HH2      ARG   3  26.254  16.779  13.028
  500    HA   PRO   4           HA       PRO   4  21.496   8.392  13.887
  501    HB2  PRO   4           2HB      PRO   4  19.349   8.316  11.848
  502    HB3  PRO   4           1HB      PRO   4  19.741   7.153  13.119
  503    HG2  PRO   4           2HG      PRO   4  17.590   8.717  13.312
  504    HG3  PRO   4           1HG      PRO   4  18.569   8.322  14.738
  505    HD2  PRO   4           2HD      PRO   4  18.529  10.827  13.099
  506    HD3  PRO   4           1HD      PRO   4  18.618  10.639  14.864
  507    H    TYR   5           H        TYR   5  23.351   9.408  12.994
  508    HA   TYR   5           HA       TYR   5  24.905   9.706  11.391
  509    HB2  TYR   5           2HB      TYR   5  22.919   8.035   9.886
  510    HB3  TYR   5           1HB      TYR   5  24.359   8.655   9.089
  511    HD1  TYR   5           1HD      TYR   5  24.145   7.490  12.601
  512    HD2  TYR   5           2HD      TYR   5  25.494   6.640   8.661
  513    HE1  TYR   5           1HE      TYR   5  25.441   5.593  13.461
  514    HE2  TYR   5           2HE      TYR   5  26.791   4.731   9.511
  515    HH   TYR   5           HH       TYR   5  27.801   3.976  11.602
  516    H    LYS   6           H        LYS   6  22.110   9.935   9.223
  517    HA   LYS   6           HA       LYS   6  22.782  12.737   8.684
  518    HB2  LYS   6           2HB      LYS   6  22.836  12.236   6.239
  519    HB3  LYS   6           1HB      LYS   6  24.161  11.501   7.135
  520    HG2  LYS   6           2HG      LYS   6  22.796   9.391   7.215
  521    HG3  LYS   6           1HG      LYS   6  21.689  10.156   6.078
  522    HD2  LYS   6           2HD      LYS   6  24.633   9.723   5.596
  523    HD3  LYS   6           1HD      LYS   6  23.347   8.679   4.991
  524    HE2  LYS   6           2HE      LYS   6  22.411  10.576   3.746
  525    HE3  LYS   6           1HE      LYS   6  23.718  11.602   4.338
  526    HZ1  LYS   6           3HZ      LYS   6  24.213  10.809   2.128
  527    HZ2  LYS   6           1HZ      LYS   6  24.017   9.194   2.620
  528    HZ3  LYS   6           2HZ      LYS   6  25.299  10.124   3.234
  529    H    LEU   7           H        LEU   7  20.459  10.673   9.499
  530    HA   LEU   7           HA       LEU   7  18.365  12.146   8.088
  531    HB2  LEU   7           2HB      LEU   7  18.621   9.134   8.103
  532    HB3  LEU   7           1HB      LEU   7  17.171   9.991   7.620
  533    HG   LEU   7           HG       LEU   7  19.836  10.312   6.236
  534   HD11  LEU   7          1HD1      LEU   7  19.019   8.011   6.013
  535   HD12  LEU   7          2HD1      LEU   7  18.942   8.889   4.485
  536   HD13  LEU   7          3HD1      LEU   7  17.473   8.625   5.423
  537   HD21  LEU   7          3HD2      LEU   7  17.031  11.134   5.493
  538   HD22  LEU   7          1HD2      LEU   7  18.444  11.280   4.448
  539   HD23  LEU   7          2HD2      LEU   7  18.354  12.206   5.946
  540    H    LEU   8           H        LEU   8  16.256  11.897   9.108
  541    HA   LEU   8           HA       LEU   8  16.558  11.544  11.981
  542    HB2  LEU   8           2HB      LEU   8  14.270  12.639  10.346
  543    HB3  LEU   8           1HB      LEU   8  14.285  12.542  12.096
  544    HG   LEU   8           HG       LEU   8  16.156  14.201  10.403
  545   HD11  LEU   8          1HD1      LEU   8  13.897  15.009  12.230
  546   HD12  LEU   8          2HD1      LEU   8  13.878  15.076  10.469
  547   HD13  LEU   8          3HD1      LEU   8  14.985  16.104  11.378
  548   HD21  LEU   8          3HD2      LEU   8  16.932  15.120  12.540
  549   HD22  LEU   8          1HD2      LEU   8  17.267  13.394  12.412
  550   HD23  LEU   8          2HD2      LEU   8  15.922  13.959  13.402
  551    H    ASN   9           H        ASN   9  16.842   9.176  11.237
  552    HA   ASN   9           HA       ASN   9  16.174   7.056  11.643
  553    HB2  ASN   9           2HB      ASN   9  13.577   8.320  12.527
  554    HB3  ASN   9           1HB      ASN   9  13.958   6.609  12.686
  555   HD21  ASN   9          1HD2      ASN   9  14.394   9.760  13.968
  556   HD22  ASN   9          2HD2      ASN   9  15.384   9.311  15.325
  557    H    GLY  10           H        GLY  10  13.770   8.976   9.881
  558    HA2  GLY  10           2HA      GLY  10  13.544   6.893   7.894
  559    HA3  GLY  10           1HA      GLY  10  12.119   7.082   8.903
  560    H    ILE  11           H        ILE  11  11.833   7.388   6.298
  561    HA   ILE  11           HA       ILE  11  11.859  10.284   5.750
  562    HB   ILE  11           HB       ILE  11  11.664   8.074   3.693
  563   HG12  ILE  11          2HG1      ILE  11  13.788   7.816   4.880
  564   HG13  ILE  11          1HG1      ILE  11  14.056   8.397   3.239
  565   HG21  ILE  11          1HG2      ILE  11  10.877  10.198   2.888
  566   HG22  ILE  11          2HG2      ILE  11  12.431   9.836   2.140
  567   HG23  ILE  11          3HG2      ILE  11  12.340  11.000   3.462
  568   HD11  ILE  11          3HD1      ILE  11  14.108  10.069   5.739
  569   HD12  ILE  11          1HD1      ILE  11  14.351  10.666   4.098
  570   HD13  ILE  11          2HD1      ILE  11  15.506   9.534   4.805
  571    H    LYS  12           H        LYS  12   9.992  11.016   4.376
  572    HA   LYS  12           HA       LYS  12   7.543   9.898   5.529
  573    HB2  LYS  12           2HB      LYS  12   7.889  12.216   6.032
  574    HB3  LYS  12           1HB      LYS  12   8.213  12.597   4.348
  575    HG2  LYS  12           2HG      LYS  12   6.020  13.382   4.977
  576    HG3  LYS  12           1HG      LYS  12   5.879  12.085   3.794
  577    HD2  LYS  12           2HD      LYS  12   5.405  10.501   5.619
  578    HD3  LYS  12           1HD      LYS  12   5.490  11.831   6.775
  579    HE2  LYS  12           2HE      LYS  12   3.575  11.718   4.452
  580    HE3  LYS  12           1HE      LYS  12   3.175  11.205   6.090
  581    HZ1  LYS  12           3HZ      LYS  12   4.264  13.901   5.700
  582    HZ2  LYS  12           1HZ      LYS  12   3.163  13.336   6.858
  583    HZ3  LYS  12           2HZ      LYS  12   2.651  13.617   5.264
  584    H    LEU  13           H        LEU  13   5.997   9.048   4.362
  585    HA   LEU  13           HA       LEU  13   6.016   9.314   1.446
  586    HB2  LEU  13           2HB      LEU  13   5.546   6.890   1.245
  587    HB3  LEU  13           1HB      LEU  13   7.149   7.222   1.869
  588    HG   LEU  13           HG       LEU  13   4.891   6.623   3.757
  589   HD11  LEU  13          1HD1      LEU  13   4.860   4.812   2.146
  590   HD12  LEU  13          2HD1      LEU  13   5.529   4.256   3.680
  591   HD13  LEU  13          3HD1      LEU  13   6.601   4.600   2.322
  592   HD21  LEU  13          3HD2      LEU  13   6.988   7.475   4.695
  593   HD22  LEU  13          1HD2      LEU  13   7.879   6.182   3.889
  594   HD23  LEU  13          2HD2      LEU  13   6.723   5.794   5.162
  595    H    GLY  14           H        GLY  14   3.943   8.478   0.510
  596    HA2  GLY  14           2HA      GLY  14   1.711   8.496   2.409
  597    HA3  GLY  14           1HA      GLY  14   1.729   9.721   1.148
  598    H    VAL  15           H        VAL  15   0.242   7.034   1.892
  599    HA   VAL  15           HA       VAL  15   0.459   5.778  -0.761
  600    HB   VAL  15           HB       VAL  15  -0.699   4.613   1.799
  601   HG11  VAL  15          1HG1      VAL  15  -0.743   2.498   0.600
  602   HG12  VAL  15          2HG1      VAL  15  -0.170   3.305  -0.861
  603   HG13  VAL  15          3HG1      VAL  15  -1.758   3.698  -0.200
  604   HG21  VAL  15          3HG2      VAL  15   1.279   3.178   1.798
  605   HG22  VAL  15          1HG2      VAL  15   1.701   4.882   1.961
  606   HG23  VAL  15          2HG2      VAL  15   1.915   4.065   0.413
  607    H    TYR  16           H        TYR  16  -1.382   5.428  -2.018
  608    HA   TYR  16           HA       TYR  16  -3.832   6.773  -1.083
  609    HB2  TYR  16           2HB      TYR  16  -2.599   6.514  -3.756
  610    HB3  TYR  16           1HB      TYR  16  -4.346   6.275  -3.693
  611    HD1  TYR  16           1HD      TYR  16  -5.034   8.147  -1.520
  612    HD2  TYR  16           2HD      TYR  16  -2.436   8.609  -4.846
  613    HE1  TYR  16           1HE      TYR  16  -5.440  10.554  -1.478
  614    HE2  TYR  16           2HE      TYR  16  -2.827  11.040  -4.816
  615    HH   TYR  16           HH       TYR  16  -4.781  12.561  -3.996
  616    H    ILE  17           H        ILE  17  -5.324   5.473  -0.336
  617    HA   ILE  17           HA       ILE  17  -5.909   3.018  -1.812
  618    HB   ILE  17           HB       ILE  17  -6.266   1.749   0.279
  619   HG12  ILE  17          2HG1      ILE  17  -4.903   4.104   1.597
  620   HG13  ILE  17          1HG1      ILE  17  -6.579   3.619   1.833
  621   HG21  ILE  17          1HG2      ILE  17  -3.474   2.811  -0.106
  622   HG22  ILE  17          2HG2      ILE  17  -4.208   1.450  -0.953
  623   HG23  ILE  17          3HG2      ILE  17  -3.893   1.346   0.781
  624   HD11  ILE  17          3HD1      ILE  17  -5.834   1.523   2.830
  625   HD12  ILE  17          1HD1      ILE  17  -5.165   2.914   3.688
  626   HD13  ILE  17          2HD1      ILE  17  -4.154   1.991   2.571
  627    HA   PRO  18           HA       PRO  18 -10.120   4.240  -1.732
  628    HB2  PRO  18           2HB      PRO  18 -10.688   1.461  -0.812
  629    HB3  PRO  18           1HB      PRO  18 -11.373   2.359  -2.172
  630    HG2  PRO  18           2HG      PRO  18  -9.554   0.473  -2.598
  631    HG3  PRO  18           1HG      PRO  18  -9.518   1.987  -3.522
  632    HD2  PRO  18           2HD      PRO  18  -7.789   1.108  -1.246
  633    HD3  PRO  18           1HD      PRO  18  -7.367   2.053  -2.693
  634    H    GLN  19           H        GLN  19 -11.757   4.860  -0.372
  635    HA   GLN  19           HA       GLN  19 -11.170   5.217   2.349
  636    HB2  GLN  19           2HB      GLN  19 -13.428   6.083   2.586
  637    HB3  GLN  19           1HB      GLN  19 -12.700   6.693   1.105
  638    HG2  GLN  19           2HG      GLN  19 -14.005   5.260  -0.243
  639    HG3  GLN  19           1HG      GLN  19 -14.531   4.313   1.148
  640   HE21  GLN  19          1HE2      GLN  19 -14.956   6.686   2.790
  641   HE22  GLN  19          2HE2      GLN  19 -16.411   7.414   2.216
  642    H    GLU  20           H        GLU  20 -12.778   2.666   0.645
  643    HA   GLU  20           HA       GLU  20 -14.106   1.385   2.733
  644    HB2  GLU  20           2HB      GLU  20 -12.693   0.151   0.360
  645    HB3  GLU  20           1HB      GLU  20 -13.899  -0.648   1.362
  646    HG2  GLU  20           2HG      GLU  20 -14.347   1.780  -0.364
  647    HG3  GLU  20           1HG      GLU  20 -14.877   0.134  -0.716
  648    H    TRP  21           H        TRP  21 -10.727   1.471   1.846
  649    HA   TRP  21           HA       TRP  21  -9.904  -0.614   3.639
  650    HB2  TRP  21           2HB      TRP  21  -8.396   1.616   2.264
  651    HB3  TRP  21           1HB      TRP  21  -7.620   0.440   3.312
  652    HD1  TRP  21           HD       TRP  21 -10.226  -0.547   0.629
  653    HE1  TRP  21           1HE      TRP  21  -9.015  -1.986  -1.141
  654    HE3  TRP  21           3HE      TRP  21  -5.476  -0.103   2.393
  655    HZ2  TRP  21           2HZ      TRP  21  -6.342  -2.818  -1.687
  656    HZ3  TRP  21           3HZ      TRP  21  -3.649  -1.224   1.207
  657    HH2  TRP  21           HH       TRP  21  -4.061  -2.534  -0.783
  658    H    HIS  22           H        HIS  22  -9.956   2.909   3.610
  659    HA   HIS  22           HA       HIS  22  -8.721   3.461   6.018
  660    HB2  HIS  22           2HB      HIS  22 -10.912   4.852   4.508
  661    HB3  HIS  22           1HB      HIS  22 -10.420   5.448   6.093
  662    HD1  HIS  22           1HD      HIS  22  -8.657   7.162   6.026
  663    HD2  HIS  22           2HD      HIS  22  -8.505   4.653   2.703
  664    HE1  HIS  22           1HE      HIS  22  -6.791   8.053   4.584
  665    HE2  HIS  22           2HE      HIS  22  -6.672   6.481   2.612
  666    H    ASP  23           H        ASP  23 -12.185   2.858   5.466
  667    HA   ASP  23           HA       ASP  23 -12.961   3.126   8.140
  668    HB2  ASP  23           2HB      ASP  23 -14.632   3.175   6.425
  669    HB3  ASP  23           1HB      ASP  23 -14.215   1.545   5.898
  670    H    ARG  24           H        ARG  24 -12.084   0.153   6.341
  671    HA   ARG  24           HA       ARG  24 -12.755  -1.531   8.554
  672    HB2  ARG  24           2HB      ARG  24 -10.921  -2.273   6.275
  673    HB3  ARG  24           1HB      ARG  24 -11.881  -3.350   7.271
  674    HG2  ARG  24           2HG      ARG  24 -12.947  -1.380   5.261
  675    HG3  ARG  24           1HG      ARG  24 -12.807  -3.122   5.040
  676    HD2  ARG  24           2HD      ARG  24 -14.361  -3.423   6.963
  677    HD3  ARG  24           1HD      ARG  24 -14.582  -1.673   7.004
  678    HE   ARG  24           HE       ARG  24 -15.633  -3.544   5.043
  679   HH11  ARG  24          1HH1      ARG  24 -15.127  -0.154   5.867
  680   HH12  ARG  24          2HH1      ARG  24 -16.155   0.421   4.588
  681   HH21  ARG  24          1HH2      ARG  24 -16.962  -2.764   3.389
  682   HH22  ARG  24          2HH2      ARG  24 -17.188  -1.056   3.184
  683    H    LEU  25           H        LEU  25  -9.708  -0.332   7.205
  684    HA   LEU  25           HA       LEU  25  -8.024  -1.730   8.994
  685    HB2  LEU  25           2HB      LEU  25  -7.501   0.784   7.406
  686    HB3  LEU  25           1HB      LEU  25  -6.272  -0.147   8.240
  687    HG   LEU  25           HG       LEU  25  -7.947  -1.114   5.922
  688   HD11  LEU  25          1HD1      LEU  25  -6.282   0.520   5.259
  689   HD12  LEU  25          2HD1      LEU  25  -5.820  -1.089   4.706
  690   HD13  LEU  25          3HD1      LEU  25  -5.030  -0.380   6.114
  691   HD21  LEU  25          3HD2      LEU  25  -6.532  -3.095   5.966
  692   HD22  LEU  25          1HD2      LEU  25  -7.407  -2.920   7.486
  693   HD23  LEU  25          2HD2      LEU  25  -5.700  -2.486   7.397
  694    H    MET  26           H        MET  26  -9.274   1.614   9.012
  695    HA   MET  26           HA       MET  26  -7.901   2.366  11.359
  696    HB2  MET  26           2HB      MET  26 -10.353   3.509  10.043
  697    HB3  MET  26           1HB      MET  26  -9.646   4.200  11.498
  698    HG2  MET  26           2HG      MET  26  -8.234   3.859   8.862
  699    HG3  MET  26           1HG      MET  26  -8.926   5.360   9.471
  700    HE1  MET  26           3HE      MET  26  -6.674   6.136  12.563
  701    HE2  MET  26           1HE      MET  26  -8.206   5.261  12.563
  702    HE3  MET  26           2HE      MET  26  -8.003   6.689  11.546
  703    H    GLU  27           H        GLU  27 -10.838   0.573  10.893
  704    HA   GLU  27           HA       GLU  27 -11.856   0.920  13.516
  705    HB2  GLU  27           2HB      GLU  27 -13.156   0.004  11.589
  706    HB3  GLU  27           1HB      GLU  27 -12.207  -1.471  11.703
  707    HG2  GLU  27           2HG      GLU  27 -13.127  -2.021  13.799
  708    HG3  GLU  27           1HG      GLU  27 -13.821  -0.412  14.000
  709    H    ILE  28           H        ILE  28  -9.851  -1.622  12.050
  710    HA   ILE  28           HA       ILE  28  -9.266  -3.012  14.442
  711    HB   ILE  28           HB       ILE  28  -7.524  -2.696  11.984
  712   HG12  ILE  28          2HG1      ILE  28  -9.761  -3.589  11.453
  713   HG13  ILE  28          1HG1      ILE  28  -8.503  -4.796  11.211
  714   HG21  ILE  28          1HG2      ILE  28  -6.491  -4.805  12.689
  715   HG22  ILE  28          2HG2      ILE  28  -7.473  -4.788  14.153
  716   HG23  ILE  28          3HG2      ILE  28  -6.267  -3.530  13.886
  717   HD11  ILE  28          3HD1      ILE  28 -10.372  -4.622  13.566
  718   HD12  ILE  28          1HD1      ILE  28  -9.090  -5.816  13.363
  719   HD13  ILE  28          2HD1      ILE  28 -10.452  -5.785  12.243
  720    H    ALA  29           H        ALA  29  -7.955  -0.216  12.869
  721    HA   ALA  29           HA       ALA  29  -5.632   0.169  14.406
  722    HB1  ALA  29           1HB      ALA  29  -5.585   2.367  13.447
  723    HB2  ALA  29           2HB      ALA  29  -7.288   2.252  13.007
  724    HB3  ALA  29           3HB      ALA  29  -6.101   1.212  12.216
  725    H    LYS  30           H        LYS  30  -8.969   0.764  15.121
  726    HA   LYS  30           HA       LYS  30  -8.440   2.686  17.204
  727    HB2  LYS  30           2HB      LYS  30 -10.916   1.031  16.670
  728    HB3  LYS  30           1HB      LYS  30 -10.807   2.350  17.829
  729    HG2  LYS  30           2HG      LYS  30 -10.434   3.936  16.050
  730    HG3  LYS  30           1HG      LYS  30 -10.419   2.636  14.857
  731    HD2  LYS  30           2HD      LYS  30 -12.747   2.088  15.480
  732    HD3  LYS  30           1HD      LYS  30 -12.747   3.459  16.590
  733    HE2  LYS  30           2HE      LYS  30 -12.342   4.977  14.721
  734    HE3  LYS  30           1HE      LYS  30 -12.313   3.609  13.610
  735    HZ1  LYS  30           3HZ      LYS  30 -14.624   3.134  14.226
  736    HZ2  LYS  30           1HZ      LYS  30 -14.451   4.682  13.556
  737    HZ3  LYS  30           2HZ      LYS  30 -14.638   4.502  15.228
  738    H    GLU  31           H        GLU  31  -9.217  -0.737  16.975
  739    HA   GLU  31           HA       GLU  31  -9.267  -1.318  19.715
  740    HB2  GLU  31           2HB      GLU  31  -8.354  -3.103  17.458
  741    HB3  GLU  31           1HB      GLU  31  -8.783  -3.639  19.072
  742    HG2  GLU  31           2HG      GLU  31 -11.076  -2.795  18.686
  743    HG3  GLU  31           1HG      GLU  31 -10.609  -2.429  17.021
  744    H    LYS  32           H        LYS  32  -6.576  -1.559  17.396
  745    HA   LYS  32           HA       LYS  32  -4.833  -2.404  19.568
  746    HB2  LYS  32           2HB      LYS  32  -4.519  -2.449  16.578
  747    HB3  LYS  32           1HB      LYS  32  -3.181  -2.798  17.660
  748    HG2  LYS  32           2HG      LYS  32  -3.999  -4.893  17.114
  749    HG3  LYS  32           1HG      LYS  32  -4.735  -4.574  18.683
  750    HD2  LYS  32           2HD      LYS  32  -6.787  -3.799  17.483
  751    HD3  LYS  32           1HD      LYS  32  -6.036  -4.317  15.971
  752    HE2  LYS  32           2HE      LYS  32  -5.845  -6.603  16.902
  753    HE3  LYS  32           1HE      LYS  32  -6.698  -6.063  18.345
  754    HZ1  LYS  32           3HZ      LYS  32  -7.742  -6.360  15.595
  755    HZ2  LYS  32           1HZ      LYS  32  -8.551  -5.401  16.739
  756    HZ3  LYS  32           2HZ      LYS  32  -8.317  -7.055  17.025
  757    H    ASN  33           H        ASN  33  -5.672   0.488  18.354
  758    HA   ASN  33           HA       ASN  33  -4.817   2.582  18.394
  759    HB2  ASN  33           2HB      ASN  33  -4.153   2.005  20.703
  760    HB3  ASN  33           1HB      ASN  33  -2.625   1.374  20.099
  761   HD21  ASN  33          1HD2      ASN  33  -1.408   2.812  21.285
  762   HD22  ASN  33          2HD2      ASN  33  -1.322   4.498  20.895
  763    H    LEU  34           H        LEU  34  -4.504   1.841  16.123
  764    HA   LEU  34           HA       LEU  34  -1.705   2.203  15.299
  765    HB2  LEU  34           2HB      LEU  34  -3.695   0.260  14.099
  766    HB3  LEU  34           1HB      LEU  34  -2.094   0.591  13.463
  767    HG   LEU  34           HG       LEU  34  -2.615  -0.616  16.180
  768   HD11  LEU  34          1HD1      LEU  34  -1.868  -1.949  13.577
  769   HD12  LEU  34          2HD1      LEU  34  -3.396  -2.121  14.442
  770   HD13  LEU  34          3HD1      LEU  34  -1.905  -2.733  15.157
  771   HD21  LEU  34          3HD2      LEU  34  -0.475   0.550  15.988
  772   HD22  LEU  34          1HD2      LEU  34  -0.091  -0.379  14.540
  773   HD23  LEU  34          2HD2      LEU  34  -0.243  -1.194  16.097
  774    H    THR  35           H        THR  35  -1.579   2.962  12.999
  775    HA   THR  35           HA       THR  35  -4.090   4.227  12.115
  776    HB   THR  35           HB       THR  35  -2.730   5.741  10.745
  777    HG1  THR  35           1HG      THR  35  -0.430   4.656  12.044
  778   HG21  THR  35          3HG2      THR  35  -1.866   5.661  13.636
  779   HG22  THR  35          1HG2      THR  35  -3.283   6.485  12.986
  780   HG23  THR  35          2HG2      THR  35  -1.665   7.039  12.553
  781    H    LEU  36           H        LEU  36  -4.462   4.115   9.719
  782    HA   LEU  36           HA       LEU  36  -3.926   1.587   8.599
  783    HB2  LEU  36           2HB      LEU  36  -4.813   2.410   6.547
  784    HB3  LEU  36           1HB      LEU  36  -5.769   3.057   7.862
  785    HG   LEU  36           HG       LEU  36  -3.627   4.618   6.420
  786   HD11  LEU  36          1HD1      LEU  36  -5.378   3.989   4.873
  787   HD12  LEU  36          2HD1      LEU  36  -5.488   5.708   5.256
  788   HD13  LEU  36          3HD1      LEU  36  -6.608   4.564   5.998
  789   HD21  LEU  36          3HD2      LEU  36  -4.121   5.486   8.636
  790   HD22  LEU  36          1HD2      LEU  36  -5.849   5.467   8.282
  791   HD23  LEU  36          2HD2      LEU  36  -4.780   6.559   7.402
  792    H    SER  37           H        SER  37  -2.152   4.582   8.493
  793    HA   SER  37           HA       SER  37  -0.149   3.897   6.680
  794    HB2  SER  37           2HB      SER  37   0.215   5.401   9.284
  795    HB3  SER  37           1HB      SER  37   1.212   5.532   7.837
  796    HG   SER  37           HG       SER  37  -0.123   7.212   7.633
  797    H    ASP  38           H        ASP  38  -0.420   3.253  10.169
  798    HA   ASP  38           HA       ASP  38   1.989   1.799  10.416
  799    HB2  ASP  38           2HB      ASP  38  -0.522   1.847  12.084
  800    HB3  ASP  38           1HB      ASP  38   0.854   0.830  12.494
  801    H    VAL  39           H        VAL  39  -1.345   0.764   9.801
  802    HA   VAL  39           HA       VAL  39  -0.841  -2.016   9.866
  803    HB   VAL  39           HB       VAL  39  -2.967  -0.546   8.288
  804   HG11  VAL  39          1HG1      VAL  39  -2.839  -3.433   9.160
  805   HG12  VAL  39          2HG1      VAL  39  -2.640  -2.844   7.510
  806   HG13  VAL  39          3HG1      VAL  39  -4.190  -2.662   8.332
  807   HG21  VAL  39          3HG2      VAL  39  -3.062  -0.038  10.679
  808   HG22  VAL  39          1HG2      VAL  39  -3.089  -1.762  11.046
  809   HG23  VAL  39          2HG2      VAL  39  -4.435  -1.023  10.179
  810    H    CYS  40           H        CYS  40  -0.763   0.344   7.250
  811    HA   CYS  40           HA       CYS  40  -0.233  -1.463   5.151
  812    HB2  CYS  40           2HB      CYS  40  -0.869   1.156   5.316
  813    HB3  CYS  40           1HB      CYS  40   0.857   1.312   4.998
  814    HG   CYS  40           HG       CYS  40  -1.156   1.427   2.762
  815    H    ARG  41           H        ARG  41   1.844   0.399   7.295
  816    HA   ARG  41           HA       ARG  41   4.361  -0.427   6.441
  817    HB2  ARG  41           2HB      ARG  41   4.011   1.413   7.992
  818    HB3  ARG  41           1HB      ARG  41   3.331   0.327   9.186
  819    HG2  ARG  41           2HG      ARG  41   6.147  -0.034   8.256
  820    HG3  ARG  41           1HG      ARG  41   5.748   1.201   9.447
  821    HD2  ARG  41           2HD      ARG  41   4.763  -0.516  10.892
  822    HD3  ARG  41           1HD      ARG  41   5.169  -1.752   9.700
  823    HE   ARG  41           HE       ARG  41   7.485  -0.285  10.461
  824   HH11  ARG  41          1HH1      ARG  41   5.283  -2.751  11.615
  825   HH12  ARG  41          2HH1      ARG  41   6.454  -3.503  12.656
  826   HH21  ARG  41          1HH2      ARG  41   9.035  -1.270  11.841
  827   HH22  ARG  41          2HH2      ARG  41   8.577  -2.648  12.797
  828    H    LEU  42           H        LEU  42   2.162  -1.901   8.815
  829    HA   LEU  42           HA       LEU  42   3.901  -3.971   9.637
  830    HB2  LEU  42           2HB      LEU  42   0.878  -3.951   9.599
  831    HB3  LEU  42           1HB      LEU  42   1.877  -5.063  10.513
  832    HG   LEU  42           HG       LEU  42   1.782  -2.077  10.959
  833   HD11  LEU  42          1HD1      LEU  42   0.510  -2.589  12.964
  834   HD12  LEU  42          2HD1      LEU  42   0.528  -4.306  12.559
  835   HD13  LEU  42          3HD1      LEU  42  -0.338  -3.166  11.530
  836   HD21  LEU  42          3HD2      LEU  42   3.910  -3.039  11.606
  837   HD22  LEU  42          1HD2      LEU  42   3.088  -4.303  12.523
  838   HD23  LEU  42          2HD2      LEU  42   2.975  -2.622  13.042
  839    H    ALA  43           H        ALA  43   1.774  -3.588   6.944
  840    HA   ALA  43           HA       ALA  43   1.566  -6.320   6.217
  841    HB1  ALA  43           1HB      ALA  43   1.177  -3.846   4.542
  842    HB2  ALA  43           2HB      ALA  43  -0.059  -4.637   5.521
  843    HB3  ALA  43           3HB      ALA  43   0.638  -5.473   4.133
  844    H    ILE  44           H        ILE  44   3.662  -3.657   5.051
  845    HA   ILE  44           HA       ILE  44   4.959  -5.289   3.120
  846    HB   ILE  44           HB       ILE  44   6.850  -3.438   3.504
  847   HG12  ILE  44          2HG1      ILE  44   4.293  -2.162   4.499
  848   HG13  ILE  44          1HG1      ILE  44   5.793  -2.364   5.402
  849   HG21  ILE  44          1HG2      ILE  44   5.690  -2.096   1.770
  850   HG22  ILE  44          2HG2      ILE  44   4.266  -3.110   2.006
  851   HG23  ILE  44          3HG2      ILE  44   5.767  -3.821   1.418
  852   HD11  ILE  44          3HD1      ILE  44   5.534  -0.075   4.628
  853   HD12  ILE  44          1HD1      ILE  44   5.428  -0.640   2.960
  854   HD13  ILE  44          2HD1      ILE  44   6.928  -0.843   3.865
  855    H    LYS  45           H        LYS  45   5.492  -4.668   6.504
  856    HA   LYS  45           HA       LYS  45   8.039  -5.774   6.730
  857    HB2  LYS  45           2HB      LYS  45   7.010  -4.595   8.585
  858    HB3  LYS  45           1HB      LYS  45   5.761  -5.828   8.712
  859    HG2  LYS  45           2HG      LYS  45   7.325  -7.453   9.464
  860    HG3  LYS  45           1HG      LYS  45   8.690  -6.399   9.093
  861    HD2  LYS  45           2HD      LYS  45   8.028  -4.858  10.824
  862    HD3  LYS  45           1HD      LYS  45   6.560  -5.785  11.138
  863    HE2  LYS  45           2HE      LYS  45   8.348  -6.209  12.792
  864    HE3  LYS  45           1HE      LYS  45   7.851  -7.659  11.922
  865    HZ1  LYS  45           3HZ      LYS  45  10.207  -6.041  11.122
  866    HZ2  LYS  45           1HZ      LYS  45   9.799  -7.609  10.620
  867    HZ3  LYS  45           2HZ      LYS  45  10.311  -7.336  12.215
  868    H    GLU  46           H        GLU  46   4.839  -7.353   6.846
  869    HA   GLU  46           HA       GLU  46   5.968  -9.972   7.101
  870    HB2  GLU  46           2HB      GLU  46   3.685  -9.575   7.876
  871    HB3  GLU  46           1HB      GLU  46   3.186  -9.131   6.246
  872    HG2  GLU  46           2HG      GLU  46   3.559 -11.359   5.455
  873    HG3  GLU  46           1HG      GLU  46   4.280 -11.837   6.988
  874    H    TYR  47           H        TYR  47   5.036  -7.870   4.489
  875    HA   TYR  47           HA       TYR  47   5.017  -9.697   2.384
  876    HB2  TYR  47           2HB      TYR  47   4.261  -7.331   2.239
  877    HB3  TYR  47           1HB      TYR  47   5.939  -6.815   2.317
  878    HD1  TYR  47           2HD      TYR  47   3.385  -8.440   0.229
  879    HD2  TYR  47           1HD      TYR  47   7.383  -6.981   0.379
  880    HE1  TYR  47           2HE      TYR  47   3.530  -8.594  -2.218
  881    HE2  TYR  47           1HE      TYR  47   7.531  -7.131  -2.070
  882    HH   TYR  47           HH       TYR  47   4.819  -7.569  -4.045
  883    H    LEU  48           H        LEU  48   7.654  -7.869   3.861
  884    HA   LEU  48           HA       LEU  48   9.703  -8.747   2.127
  885    HB2  LEU  48           2HB      LEU  48   9.886  -7.873   5.012
  886    HB3  LEU  48           1HB      LEU  48  11.243  -8.026   3.913
  887    HG   LEU  48           HG       LEU  48   8.964  -6.062   3.654
  888   HD11  LEU  48          1HD1      LEU  48  11.865  -5.675   4.371
  889   HD12  LEU  48          2HD1      LEU  48  10.486  -5.490   5.454
  890   HD13  LEU  48          3HD1      LEU  48  10.695  -4.383   4.099
  891   HD21  LEU  48          3HD2      LEU  48  10.264  -5.119   1.800
  892   HD22  LEU  48          1HD2      LEU  48   9.763  -6.778   1.467
  893   HD23  LEU  48          2HD2      LEU  48  11.425  -6.440   1.950
  894    H    ASP  49           H        ASP  49   8.756  -9.852   5.367
  895    HA   ASP  49           HA       ASP  49  10.673 -11.912   5.524
  896    HB2  ASP  49           2HB      ASP  49   9.530 -10.871   7.462
  897    HB3  ASP  49           1HB      ASP  49   8.051 -11.712   7.006
  898    H    ASN  50           H        ASN  50   7.543 -11.799   4.045
  899    HA   ASN  50           HA       ASN  50   7.031 -14.611   4.090
  900    HB2  ASN  50           2HB      ASN  50   5.231 -12.910   3.863
  901    HB3  ASN  50           1HB      ASN  50   5.858 -12.492   2.269
  902   HD21  ASN  50          1HD2      ASN  50   4.073 -13.077   1.123
  903   HD22  ASN  50          2HD2      ASN  50   3.544 -14.728   0.974
  904    H    HIS  51           H        HIS  51   8.492 -12.378   1.800
  905    HA   HIS  51           HA       HIS  51   8.973 -14.550  -0.083
  906    HB2  HIS  51           2HB      HIS  51   9.688 -11.609  -0.212
  907    HB3  HIS  51           1HB      HIS  51  10.035 -12.773  -1.488
  908    HD1  HIS  51           1HD      HIS  51   8.147 -13.312  -3.104
  909    HD2  HIS  51           2HD      HIS  51   6.877 -11.101   0.179
  910    HE1  HIS  51           1HE      HIS  51   5.766 -12.668  -3.598
  911    HE2  HIS  51           2HE      HIS  51   4.955 -11.528  -1.495
  912    H    ASP  52           H        ASP  52  10.464 -12.815   2.436
  913    HA   ASP  52           HA       ASP  52  12.148 -13.365   3.807
  914    HB2  ASP  52           2HB      ASP  52  11.205 -15.641   3.444
  915    HB3  ASP  52           1HB      ASP  52  12.417 -15.894   2.192
  916    H    LYS  53           H        LYS  53  13.337 -14.846   0.811
  917    HA   LYS  53           HA       LYS  53  15.516 -13.029   0.496
  918    HB2  LYS  53           2HB      LYS  53  16.268 -14.224   2.529
  919    HB3  LYS  53           1HB      LYS  53  16.104 -15.757   1.687
  920    HG2  LYS  53           2HG      LYS  53  17.825 -14.897   0.047
  921    HG3  LYS  53           1HG      LYS  53  18.097 -13.567   1.175
  922    HD2  LYS  53           2HD      LYS  53  18.581 -15.238   2.948
  923    HD3  LYS  53           1HD      LYS  53  18.433 -16.513   1.738
  924    HE2  LYS  53           2HE      LYS  53  20.748 -16.070   1.964
  925    HE3  LYS  53           1HE      LYS  53  20.244 -15.338   0.442
  926    HZ1  LYS  53           3HZ      LYS  53  21.663 -13.836   1.643
  927    HZ2  LYS  53           1HZ      LYS  53  20.675 -13.927   3.021
  928    HZ3  LYS  53           2HZ      LYS  53  20.093 -13.195   1.609
  929    H    GLN  54           H        GLN  54  14.139 -16.197  -0.009
  930    HA   GLN  54           HA       GLN  54  15.633 -16.674  -2.429
  931    HB2  GLN  54           2HB      GLN  54  14.291 -18.806  -2.463
  932    HB3  GLN  54           1HB      GLN  54  15.276 -18.570  -1.027
  933    HG2  GLN  54           2HG      GLN  54  13.259 -17.763   0.168
  934    HG3  GLN  54           1HG      GLN  54  12.303 -18.146  -1.261
  935   HE21  GLN  54          1HE2      GLN  54  14.080 -19.397   1.420
  936   HE22  GLN  54          2HE2      GLN  54  13.533 -21.039   1.296
  937    H    LYS  55           H        LYS  55  14.880 -14.936  -3.720
  938    HA   LYS  55           HA       LYS  55  12.090 -14.916  -4.505
  939    HB2  LYS  55           2HB      LYS  55  14.420 -13.396  -5.700
  940    HB3  LYS  55           1HB      LYS  55  12.716 -13.096  -6.007
  941    HG2  LYS  55           2HG      LYS  55  12.456 -12.569  -3.576
  942    HG3  LYS  55           1HG      LYS  55  14.211 -12.675  -3.435
  943    HD2  LYS  55           2HD      LYS  55  14.421 -10.910  -5.153
  944    HD3  LYS  55           1HD      LYS  55  12.664 -10.770  -5.190
  945    HE2  LYS  55           2HE      LYS  55  13.491  -9.033  -3.786
  946    HE3  LYS  55           1HE      LYS  55  12.736 -10.243  -2.747
  947    HZ1  LYS  55           3HZ      LYS  55  15.642  -9.855  -3.223
  948    HZ2  LYS  55           1HZ      LYS  55  14.988 -11.159  -2.359
  949    HZ3  LYS  55           2HZ      LYS  55  14.800  -9.580  -1.776
  950    H    LYS  56           H        LYS  56  11.983 -17.086  -5.217
  951    HA   LYS  56           HA       LYS  56  13.602 -17.832  -7.532
  952    HB2  LYS  56           2HB      LYS  56  13.120 -19.342  -5.474
  953    HB3  LYS  56           1HB      LYS  56  11.535 -19.572  -6.202
  954    HG2  LYS  56           2HG      LYS  56  12.827 -21.398  -6.906
  955    HG3  LYS  56           1HG      LYS  56  12.757 -20.308  -8.294
  956    HD2  LYS  56           2HD      LYS  56  14.969 -19.399  -7.633
  957    HD3  LYS  56           1HD      LYS  56  15.039 -20.598  -6.341
  958    HE2  LYS  56           2HE      LYS  56  16.298 -21.477  -8.143
  959    HE3  LYS  56           1HE      LYS  56  14.773 -22.362  -8.123
  960    HZ1  LYS  56           3HZ      LYS  56  13.969 -20.919  -9.900
  961    HZ2  LYS  56           1HZ      LYS  56  15.386 -21.728 -10.366
  962    HZ3  LYS  56           2HZ      LYS  56  15.447 -20.090  -9.919
  Start of MODEL   17
    1    H1   GLY   2           1HT      GLY   2 -19.119  11.939 -13.069
    2    H2   GLY   2           2HT      GLY   2 -18.565  13.503 -13.424
    3    H3   GLY   2           3HT      GLY   2 -20.192  13.097 -13.688
    4    HA2  GLY   2           1HA      GLY   2 -19.919  14.435 -11.686
    5    HA3  GLY   2           2HA      GLY   2 -20.571  12.836 -11.346
    6    H    ARG   3           H        ARG   3 -19.655  13.710  -9.182
    7    HA   ARG   3           HA       ARG   3 -16.835  12.880  -8.951
    8    HB2  ARG   3           2HB      ARG   3 -18.482  14.664  -7.146
    9    HB3  ARG   3           1HB      ARG   3 -16.833  14.157  -6.816
   10    HG2  ARG   3           2HG      ARG   3 -16.066  15.322  -8.818
   11    HG3  ARG   3           1HG      ARG   3 -17.723  15.827  -9.159
   12    HD2  ARG   3           2HD      ARG   3 -17.763  16.988  -6.967
   13    HD3  ARG   3           1HD      ARG   3 -16.075  16.550  -6.740
   14    HE   ARG   3           HE       ARG   3 -15.449  18.091  -8.374
   15   HH11  ARG   3          1HH1      ARG   3 -18.959  17.973  -8.107
   16   HH12  ARG   3          2HH1      ARG   3 -19.174  19.557  -8.784
   17   HH21  ARG   3          1HH2      ARG   3 -15.769  20.179  -9.274
   18   HH22  ARG   3          2HH2      ARG   3 -17.386  20.792  -9.453
   19    HA   PRO   4           HA       PRO   4 -18.403   9.452  -6.532
   20    HB2  PRO   4           2HB      PRO   4 -15.653   9.098  -5.599
   21    HB3  PRO   4           1HB      PRO   4 -16.630   8.035  -6.616
   22    HG2  PRO   4           2HG      PRO   4 -14.506   9.397  -7.575
   23    HG3  PRO   4           1HG      PRO   4 -15.932   9.033  -8.565
   24    HD2  PRO   4           2HD      PRO   4 -15.199  11.585  -7.164
   25    HD3  PRO   4           1HD      PRO   4 -15.856  11.345  -8.802
   26    H    TYR   5           H        TYR   5 -17.001   8.743  -4.127
   27    HA   TYR   5           HA       TYR   5 -18.257  10.693  -2.424
   28    HB2  TYR   5           2HB      TYR   5 -16.788   8.135  -1.771
   29    HB3  TYR   5           1HB      TYR   5 -17.644   9.126  -0.596
   30    HD1  TYR   5           1HD      TYR   5 -20.081   9.211  -0.583
   31    HD2  TYR   5           2HD      TYR   5 -17.987   6.744  -3.344
   32    HE1  TYR   5           1HE      TYR   5 -22.161   7.996  -1.067
   33    HE2  TYR   5           2HE      TYR   5 -20.063   5.519  -3.831
   34    HH   TYR   5           HH       TYR   5 -23.147   6.623  -2.696
   35    H    LYS   6           H        LYS   6 -17.348  12.257  -1.355
   36    HA   LYS   6           HA       LYS   6 -15.867  13.701  -0.461
   37    HB2  LYS   6           2HB      LYS   6 -14.050  11.308  -0.162
   38    HB3  LYS   6           1HB      LYS   6 -13.940  12.824   0.722
   39    HG2  LYS   6           2HG      LYS   6 -16.197  10.838   0.878
   40    HG3  LYS   6           1HG      LYS   6 -14.932  11.083   2.080
   41    HD2  LYS   6           2HD      LYS   6 -16.876  13.222   1.219
   42    HD3  LYS   6           1HD      LYS   6 -17.123  12.177   2.618
   43    HE2  LYS   6           2HE      LYS   6 -14.768  14.018   2.219
   44    HE3  LYS   6           1HE      LYS   6 -16.176  14.377   3.217
   45    HZ1  LYS   6           3HZ      LYS   6 -15.604  12.303   4.487
   46    HZ2  LYS   6           1HZ      LYS   6 -14.504  13.587   4.651
   47    HZ3  LYS   6           2HZ      LYS   6 -14.135  12.276   3.646
   48    H    LEU   7           H        LEU   7 -13.471  11.561  -1.968
   49    HA   LEU   7           HA       LEU   7 -12.756  13.658  -3.859
   50    HB2  LEU   7           2HB      LEU   7 -11.447  14.166  -1.839
   51    HB3  LEU   7           1HB      LEU   7 -10.803  12.536  -1.841
   52    HG   LEU   7           HG       LEU   7  -9.716  13.008  -4.028
   53   HD11  LEU   7          1HD1      LEU   7 -10.636  15.831  -3.514
   54   HD12  LEU   7          2HD1      LEU   7 -11.203  14.774  -4.807
   55   HD13  LEU   7          3HD1      LEU   7  -9.523  15.319  -4.785
   56   HD21  LEU   7          3HD2      LEU   7  -9.008  14.881  -1.778
   57   HD22  LEU   7          1HD2      LEU   7  -7.953  14.436  -3.120
   58   HD23  LEU   7          2HD2      LEU   7  -8.465  13.213  -1.958
   59    H    LEU   8           H        LEU   8 -13.674  11.965  -5.206
   60    HA   LEU   8           HA       LEU   8 -13.459  10.363  -6.804
   61    HB2  LEU   8           2HB      LEU   8 -10.521  10.665  -6.203
   62    HB3  LEU   8           1HB      LEU   8 -11.188   9.838  -7.596
   63    HG   LEU   8           HG       LEU   8 -11.562  12.776  -7.016
   64   HD11  LEU   8          1HD1      LEU   8  -9.227  12.258  -7.479
   65   HD12  LEU   8          2HD1      LEU   8  -9.957  13.130  -8.826
   66   HD13  LEU   8          3HD1      LEU   8  -9.698  11.389  -8.940
   67   HD21  LEU   8          3HD2      LEU   8 -12.178  11.117  -9.459
   68   HD22  LEU   8          1HD2      LEU   8 -12.360  12.866  -9.330
   69   HD23  LEU   8          2HD2      LEU   8 -13.361  11.799  -8.344
   70    H    ASN   9           H        ASN   9 -13.548   9.594  -3.873
   71    HA   ASN   9           HA       ASN   9 -13.303   7.818  -2.484
   72    HB2  ASN   9           2HB      ASN   9 -14.706   6.757  -4.250
   73    HB3  ASN   9           1HB      ASN   9 -13.238   6.211  -5.053
   74   HD21  ASN   9          1HD2      ASN   9 -13.926   4.067  -4.849
   75   HD22  ASN   9          2HD2      ASN   9 -13.838   3.223  -3.343
   76    H    GLY  10           H        GLY  10 -11.084   9.133  -2.672
   77    HA2  GLY  10           2HA      GLY  10  -9.059   7.108  -2.275
   78    HA3  GLY  10           1HA      GLY  10  -8.739   8.226  -3.597
   79    H    ILE  11           H        ILE  11  -8.488   7.688  -0.314
   80    HA   ILE  11           HA       ILE  11  -8.362  10.549   0.353
   81    HB   ILE  11           HB       ILE  11  -8.541   8.219   2.275
   82   HG12  ILE  11          2HG1      ILE  11 -10.525   8.201   0.863
   83   HG13  ILE  11          1HG1      ILE  11 -10.939   8.748   2.485
   84   HG21  ILE  11          1HG2      ILE  11  -9.369   9.939   3.853
   85   HG22  ILE  11          2HG2      ILE  11  -9.009  11.172   2.643
   86   HG23  ILE  11          3HG2      ILE  11  -7.706  10.205   3.335
   87   HD11  ILE  11          3HD1      ILE  11 -10.579  10.483   0.052
   88   HD12  ILE  11          1HD1      ILE  11 -10.894  11.074   1.684
   89   HD13  ILE  11          2HD1      ILE  11 -12.099  10.085   0.857
   90    H    LYS  12           H        LYS  12  -6.694  11.108   2.013
   91    HA   LYS  12           HA       LYS  12  -4.154  10.079   1.010
   92    HB2  LYS  12           2HB      LYS  12  -4.347  12.401   0.666
   93    HB3  LYS  12           1HB      LYS  12  -5.058  12.664   2.249
   94    HG2  LYS  12           2HG      LYS  12  -2.845  13.554   2.233
   95    HG3  LYS  12           1HG      LYS  12  -2.872  12.130   3.272
   96    HD2  LYS  12           2HD      LYS  12  -1.896  10.797   1.475
   97    HD3  LYS  12           1HD      LYS  12  -1.887  12.216   0.422
   98    HE2  LYS  12           2HE      LYS  12  -0.373  11.894   3.011
   99    HE3  LYS  12           1HE      LYS  12   0.314  11.855   1.388
  100    HZ1  LYS  12           3HZ      LYS  12  -0.430  14.158   1.093
  101    HZ2  LYS  12           1HZ      LYS  12   0.653  14.005   2.386
  102    HZ3  LYS  12           2HZ      LYS  12  -1.005  14.186   2.687
  103    H    LEU  13           H        LEU  13  -2.783   9.033   2.235
  104    HA   LEU  13           HA       LEU  13  -2.985   9.212   5.149
  105    HB2  LEU  13           2HB      LEU  13  -2.473   6.776   5.280
  106    HB3  LEU  13           1HB      LEU  13  -4.058   7.141   4.631
  107    HG   LEU  13           HG       LEU  13  -1.755   6.590   2.785
  108   HD11  LEU  13          1HD1      LEU  13  -3.550   4.527   4.056
  109   HD12  LEU  13          2HD1      LEU  13  -1.827   4.728   4.362
  110   HD13  LEU  13          3HD1      LEU  13  -2.386   4.232   2.764
  111   HD21  LEU  13          3HD2      LEU  13  -4.751   6.288   2.571
  112   HD22  LEU  13          1HD2      LEU  13  -3.600   5.769   1.341
  113   HD23  LEU  13          2HD2      LEU  13  -3.742   7.481   1.747
  114    H    GLY  14           H        GLY  14  -1.079   9.605   6.101
  115    HA2  GLY  14           2HA      GLY  14   1.305   9.447   4.385
  116    HA3  GLY  14           1HA      GLY  14   1.126  10.502   5.778
  117    H    VAL  15           H        VAL  15   2.683   7.838   4.726
  118    HA   VAL  15           HA       VAL  15   2.736   6.604   7.400
  119    HB   VAL  15           HB       VAL  15   3.659   5.363   4.787
  120   HG11  VAL  15          1HG1      VAL  15   3.701   3.279   6.052
  121   HG12  VAL  15          2HG1      VAL  15   3.268   4.165   7.515
  122   HG13  VAL  15          3HG1      VAL  15   4.813   4.473   6.723
  123   HG21  VAL  15          3HG2      VAL  15   1.646   3.968   4.944
  124   HG22  VAL  15          1HG2      VAL  15   1.261   5.677   4.730
  125   HG23  VAL  15          2HG2      VAL  15   1.105   4.928   6.319
  126    H    TYR  16           H        TYR  16   4.726   6.298   8.432
  127    HA   TYR  16           HA       TYR  16   7.058   7.584   7.168
  128    HB2  TYR  16           2HB      TYR  16   6.076   7.521   9.956
  129    HB3  TYR  16           1HB      TYR  16   7.813   7.293   9.755
  130    HD1  TYR  16           2HD      TYR  16   8.840   8.985   7.949
  131    HD2  TYR  16           1HD      TYR  16   5.400   9.711  10.331
  132    HE1  TYR  16           2HE      TYR  16   9.183  11.387   7.683
  133    HE2  TYR  16           1HE      TYR  16   5.741  12.135  10.086
  134    HH   TYR  16           HH       TYR  16   8.004  13.451   7.845
  135    H    ILE  17           H        ILE  17   8.724   6.318   6.625
  136    HA   ILE  17           HA       ILE  17   9.130   3.826   8.106
  137    HB   ILE  17           HB       ILE  17   9.477   2.499   6.145
  138   HG12  ILE  17          2HG1      ILE  17   8.815   4.961   4.513
  139   HG13  ILE  17          1HG1      ILE  17  10.398   4.194   4.632
  140   HG21  ILE  17          1HG2      ILE  17   7.218   2.440   5.218
  141   HG22  ILE  17          2HG2      ILE  17   6.893   4.029   5.909
  142   HG23  ILE  17          3HG2      ILE  17   7.197   2.650   6.968
  143   HD11  ILE  17          3HD1      ILE  17   9.317   3.557   2.569
  144   HD12  ILE  17          1HD1      ILE  17   7.910   2.976   3.463
  145   HD13  ILE  17          2HD1      ILE  17   9.458   2.154   3.636
  146    HA   PRO  18           HA       PRO  18  13.237   5.148   8.472
  147    HB2  PRO  18           2HB      PRO  18  14.124   2.349   8.160
  148    HB3  PRO  18           1HB      PRO  18  14.302   3.442   9.535
  149    HG2  PRO  18           2HG      PRO  18  12.568   1.414   9.607
  150    HG3  PRO  18           1HG      PRO  18  12.182   2.982  10.344
  151    HD2  PRO  18           2HD      PRO  18  11.277   1.846   7.721
  152    HD3  PRO  18           1HD      PRO  18  10.347   2.744   8.939
  153    H    GLN  19           H        GLN  19  15.493   4.953   7.601
  154    HA   GLN  19           HA       GLN  19  15.474   5.543   4.842
  155    HB2  GLN  19           2HB      GLN  19  17.093   6.559   6.324
  156    HB3  GLN  19           1HB      GLN  19  17.767   4.988   6.730
  157    HG2  GLN  19           2HG      GLN  19  19.207   6.180   5.189
  158    HG3  GLN  19           1HG      GLN  19  18.560   4.721   4.443
  159   HE21  GLN  19          1HE2      GLN  19  17.105   4.896   2.755
  160   HE22  GLN  19          2HE2      GLN  19  16.856   6.380   1.900
  161    H    GLU  20           H        GLU  20  16.607   2.709   6.635
  162    HA   GLU  20           HA       GLU  20  17.726   1.228   4.578
  163    HB2  GLU  20           2HB      GLU  20  16.174   0.311   7.002
  164    HB3  GLU  20           1HB      GLU  20  17.109  -0.764   5.971
  165    HG2  GLU  20           2HG      GLU  20  18.322   1.622   7.319
  166    HG3  GLU  20           1HG      GLU  20  18.221   0.040   8.093
  167    H    TRP  21           H        TRP  21  14.398   1.807   5.340
  168    HA   TRP  21           HA       TRP  21  13.305  -0.236   3.656
  169    HB2  TRP  21           2HB      TRP  21  12.234   2.176   5.078
  170    HB3  TRP  21           1HB      TRP  21  11.244   1.339   3.893
  171    HD1  TRP  21           HD       TRP  21  13.419  -0.305   6.692
  172    HE1  TRP  21           1HE      TRP  21  11.801  -1.671   8.177
  173    HE3  TRP  21           3HE      TRP  21   9.057   0.922   4.413
  174    HZ2  TRP  21           2HZ      TRP  21   8.989  -2.131   8.340
  175    HZ3  TRP  21           3HZ      TRP  21   6.959   0.019   5.273
  176    HH2  TRP  21           HH       TRP  21   6.905  -1.455   7.181
  177    H    HIS  22           H        HIS  22  13.425   3.317   3.502
  178    HA   HIS  22           HA       HIS  22  12.356   3.633   0.959
  179    HB2  HIS  22           2HB      HIS  22  12.881   5.440   2.683
  180    HB3  HIS  22           1HB      HIS  22  14.540   5.390   2.089
  181    HD1  HIS  22           1HD      HIS  22  15.026   6.514  -0.161
  182    HD2  HIS  22           2HD      HIS  22  10.999   6.523   0.885
  183    HE1  HIS  22           1HE      HIS  22  13.905   8.087  -1.775
  184    HE2  HIS  22           2HE      HIS  22  11.516   8.238  -0.980
  185    H    ASP  23           H        ASP  23  15.625   2.916   1.974
  186    HA   ASP  23           HA       ASP  23  16.948   3.307  -0.461
  187    HB2  ASP  23           2HB      ASP  23  18.052   3.011   1.739
  188    HB3  ASP  23           1HB      ASP  23  17.590   1.314   1.723
  189    H    ARG  24           H        ARG  24  15.974   0.127   0.944
  190    HA   ARG  24           HA       ARG  24  16.511  -1.115  -1.602
  191    HB2  ARG  24           2HB      ARG  24  15.688  -2.127   1.080
  192    HB3  ARG  24           1HB      ARG  24  15.410  -3.149  -0.324
  193    HG2  ARG  24           2HG      ARG  24  17.492  -3.802   0.513
  194    HG3  ARG  24           1HG      ARG  24  17.852  -2.797  -0.891
  195    HD2  ARG  24           2HD      ARG  24  19.327  -1.914   0.605
  196    HD3  ARG  24           1HD      ARG  24  17.924  -0.892   0.926
  197    HE   ARG  24           HE       ARG  24  17.854  -3.177   2.586
  198   HH11  ARG  24          1HH1      ARG  24  19.540  -0.109   2.214
  199   HH12  ARG  24          2HH1      ARG  24  19.996  -0.026   3.898
  200   HH21  ARG  24          1HH2      ARG  24  18.517  -3.107   4.743
  201   HH22  ARG  24          2HH2      ARG  24  19.447  -1.755   5.331
  202    H    LEU  25           H        LEU  25  13.575  -0.242   0.161
  203    HA   LEU  25           HA       LEU  25  11.817  -1.744  -1.454
  204    HB2  LEU  25           2HB      LEU  25  11.461   0.598   0.365
  205    HB3  LEU  25           1HB      LEU  25  10.143   0.124  -0.685
  206    HG   LEU  25           HG       LEU  25   9.856  -0.827   1.535
  207   HD11  LEU  25          1HD1      LEU  25   9.614  -3.193   0.903
  208   HD12  LEU  25          2HD1      LEU  25  10.559  -2.881  -0.552
  209   HD13  LEU  25          3HD1      LEU  25   8.997  -2.095  -0.333
  210   HD21  LEU  25          3HD2      LEU  25  11.381  -2.500   2.422
  211   HD22  LEU  25          1HD2      LEU  25  12.210  -0.956   2.201
  212   HD23  LEU  25          2HD2      LEU  25  12.460  -2.266   1.046
  213    H    MET  26           H        MET  26  12.945   1.624  -1.703
  214    HA   MET  26           HA       MET  26  11.379   2.225  -3.970
  215    HB2  MET  26           2HB      MET  26  13.921   3.455  -2.928
  216    HB3  MET  26           1HB      MET  26  13.099   4.045  -4.369
  217    HG2  MET  26           2HG      MET  26  11.843   3.840  -1.642
  218    HG3  MET  26           1HG      MET  26  12.547   5.307  -2.321
  219    HE1  MET  26           3HE      MET  26  11.687   5.046  -5.402
  220    HE2  MET  26           1HE      MET  26  11.580   6.547  -4.484
  221    HE3  MET  26           2HE      MET  26  10.185   5.971  -5.396
  222    H    GLU  27           H        GLU  27  14.649   0.842  -3.675
  223    HA   GLU  27           HA       GLU  27  15.154   0.908  -6.462
  224    HB2  GLU  27           2HB      GLU  27  16.287  -0.875  -4.308
  225    HB3  GLU  27           1HB      GLU  27  16.869  -0.855  -5.967
  226    HG2  GLU  27           2HG      GLU  27  16.978   1.362  -3.945
  227    HG3  GLU  27           1HG      GLU  27  18.325   0.507  -4.696
  228    H    ILE  28           H        ILE  28  13.751  -1.587  -4.364
  229    HA   ILE  28           HA       ILE  28  13.261  -3.492  -6.390
  230    HB   ILE  28           HB       ILE  28  11.639  -2.943  -3.892
  231   HG12  ILE  28          2HG1      ILE  28  13.803  -4.998  -4.398
  232   HG13  ILE  28          1HG1      ILE  28  14.036  -3.498  -3.505
  233   HG21  ILE  28          1HG2      ILE  28  11.690  -5.376  -5.673
  234   HG22  ILE  28          2HG2      ILE  28  10.362  -4.227  -5.524
  235   HG23  ILE  28          3HG2      ILE  28  10.812  -5.236  -4.151
  236   HD11  ILE  28          3HD1      ILE  28  13.746  -5.419  -2.027
  237   HD12  ILE  28          1HD1      ILE  28  12.159  -5.723  -2.734
  238   HD13  ILE  28          2HD1      ILE  28  12.449  -4.241  -1.821
  239    H    ALA  29           H        ALA  29  11.493  -0.674  -5.294
  240    HA   ALA  29           HA       ALA  29   9.144  -1.023  -6.802
  241    HB1  ALA  29           1HB      ALA  29  10.404   1.544  -5.848
  242    HB2  ALA  29           2HB      ALA  29   9.312   0.522  -4.915
  243    HB3  ALA  29           3HB      ALA  29   8.731   1.335  -6.367
  244    H    LYS  30           H        LYS  30  12.311   0.082  -7.693
  245    HA   LYS  30           HA       LYS  30  11.508   1.446 -10.086
  246    HB2  LYS  30           2HB      LYS  30  14.218   0.225  -9.524
  247    HB3  LYS  30           1HB      LYS  30  13.850   1.535 -10.640
  248    HG2  LYS  30           2HG      LYS  30  13.554   1.737  -7.653
  249    HG3  LYS  30           1HG      LYS  30  14.996   2.225  -8.541
  250    HD2  LYS  30           2HD      LYS  30  13.685   3.861  -9.789
  251    HD3  LYS  30           1HD      LYS  30  12.224   3.346  -8.941
  252    HE2  LYS  30           2HE      LYS  30  13.203   5.413  -8.001
  253    HE3  LYS  30           1HE      LYS  30  13.122   4.094  -6.834
  254    HZ1  LYS  30           3HZ      LYS  30  15.247   5.374  -6.839
  255    HZ2  LYS  30           1HZ      LYS  30  15.569   4.754  -8.385
  256    HZ3  LYS  30           2HZ      LYS  30  15.441   3.705  -7.058
  257    H    GLU  31           H        GLU  31  12.710  -1.711  -9.213
  258    HA   GLU  31           HA       GLU  31  12.870  -2.860 -11.769
  259    HB2  GLU  31           2HB      GLU  31  12.263  -4.175  -9.115
  260    HB3  GLU  31           1HB      GLU  31  12.791  -5.010 -10.568
  261    HG2  GLU  31           2HG      GLU  31  14.932  -3.948 -10.478
  262    HG3  GLU  31           1HG      GLU  31  14.407  -2.898  -9.161
  263    H    LYS  32           H        LYS  32  10.187  -2.510  -9.519
  264    HA   LYS  32           HA       LYS  32   8.510  -4.257 -11.145
  265    HB2  LYS  32           2HB      LYS  32   8.345  -3.225  -8.350
  266    HB3  LYS  32           1HB      LYS  32   6.873  -3.749  -9.153
  267    HG2  LYS  32           2HG      LYS  32   7.794  -5.532  -7.804
  268    HG3  LYS  32           1HG      LYS  32   7.856  -5.962  -9.511
  269    HD2  LYS  32           2HD      LYS  32  10.225  -5.384  -9.581
  270    HD3  LYS  32           1HD      LYS  32  10.167  -4.896  -7.887
  271    HE2  LYS  32           2HE      LYS  32   9.685  -7.145  -7.198
  272    HE3  LYS  32           1HE      LYS  32   9.519  -7.667  -8.873
  273    HZ1  LYS  32           3HZ      LYS  32  12.030  -6.643  -7.662
  274    HZ2  LYS  32           1HZ      LYS  32  11.846  -7.247  -9.233
  275    HZ3  LYS  32           2HZ      LYS  32  11.668  -8.278  -7.898
  276    H    ASN  33           H        ASN  33   9.169  -1.037 -11.117
  277    HA   ASN  33           HA       ASN  33   8.175   0.809 -11.995
  278    HB2  ASN  33           2HB      ASN  33   6.361  -1.299 -13.169
  279    HB3  ASN  33           1HB      ASN  33   6.116   0.417 -13.475
  280   HD21  ASN  33          1HD2      ASN  33   6.469   0.128 -15.659
  281   HD22  ASN  33          2HD2      ASN  33   8.055  -0.112 -16.307
  282    H    LEU  34           H        LEU  34   7.645   0.254  -9.365
  283    HA   LEU  34           HA       LEU  34   4.885   1.241  -9.041
  284    HB2  LEU  34           2HB      LEU  34   6.331  -0.757  -7.291
  285    HB3  LEU  34           1HB      LEU  34   4.766  -0.052  -6.927
  286    HG   LEU  34           HG       LEU  34   5.353  -1.832  -9.302
  287   HD11  LEU  34          1HD1      LEU  34   5.497  -3.043  -7.182
  288   HD12  LEU  34          2HD1      LEU  34   4.073  -3.521  -8.107
  289   HD13  LEU  34          3HD1      LEU  34   3.905  -2.435  -6.728
  290   HD21  LEU  34          3HD2      LEU  34   2.761  -0.725  -8.227
  291   HD22  LEU  34          1HD2      LEU  34   2.912  -1.895  -9.537
  292   HD23  LEU  34          2HD2      LEU  34   3.546  -0.262  -9.736
  293    H    THR  35           H        THR  35   4.609   2.385  -6.896
  294    HA   THR  35           HA       THR  35   7.126   3.715  -6.150
  295    HB   THR  35           HB       THR  35   5.783   5.513  -5.196
  296    HG1  THR  35           1HG      THR  35   3.528   4.011  -6.126
  297   HG21  THR  35          3HG2      THR  35   4.896   4.802  -7.993
  298   HG22  THR  35          1HG2      THR  35   6.366   5.675  -7.560
  299   HG23  THR  35          2HG2      THR  35   4.787   6.400  -7.256
  300    H    LEU  36           H        LEU  36   7.318   4.289  -3.786
  301    HA   LEU  36           HA       LEU  36   7.089   2.027  -2.166
  302    HB2  LEU  36           2HB      LEU  36   7.758   3.402  -0.320
  303    HB3  LEU  36           1HB      LEU  36   8.687   3.843  -1.732
  304    HG   LEU  36           HG       LEU  36   6.348   5.425  -0.644
  305   HD11  LEU  36          1HD1      LEU  36   8.241   5.432   0.894
  306   HD12  LEU  36          2HD1      LEU  36   8.046   7.007   0.124
  307   HD13  LEU  36          3HD1      LEU  36   9.317   5.911  -0.419
  308   HD21  LEU  36          3HD2      LEU  36   6.672   5.765  -3.041
  309   HD22  LEU  36          1HD2      LEU  36   8.380   6.112  -2.769
  310   HD23  LEU  36          2HD2      LEU  36   7.146   7.196  -2.128
  311    H    SER  37           H        SER  37   4.965   4.793  -2.570
  312    HA   SER  37           HA       SER  37   3.090   4.280  -0.586
  313    HB2  SER  37           2HB      SER  37   2.474   5.281  -3.378
  314    HB3  SER  37           1HB      SER  37   1.561   5.604  -1.904
  315    HG   SER  37           HG       SER  37   2.811   7.264  -1.643
  316    H    ASP  38           H        ASP  38   3.397   2.933  -3.844
  317    HA   ASP  38           HA       ASP  38   1.004   1.438  -3.844
  318    HB2  ASP  38           2HB      ASP  38   3.582   1.071  -5.374
  319    HB3  ASP  38           1HB      ASP  38   2.182   0.031  -5.606
  320    H    VAL  39           H        VAL  39   4.348   0.512  -3.107
  321    HA   VAL  39           HA       VAL  39   3.815  -2.216  -2.725
  322    HB   VAL  39           HB       VAL  39   6.036  -0.590  -1.472
  323   HG11  VAL  39          1HG1      VAL  39   5.801  -2.779  -0.437
  324   HG12  VAL  39          2HG1      VAL  39   7.264  -2.716  -1.419
  325   HG13  VAL  39          3HG1      VAL  39   5.834  -3.551  -2.022
  326   HG21  VAL  39          3HG2      VAL  39   5.933  -2.033  -4.118
  327   HG22  VAL  39          1HG2      VAL  39   7.372  -1.299  -3.413
  328   HG23  VAL  39          2HG2      VAL  39   6.004  -0.287  -3.876
  329    H    CYS  40           H        CYS  40   3.621   0.510  -0.530
  330    HA   CYS  40           HA       CYS  40   3.459  -1.028   1.856
  331    HB2  CYS  40           2HB      CYS  40   4.001   1.513   1.470
  332    HB3  CYS  40           1HB      CYS  40   2.261   1.729   1.593
  333    HG   CYS  40           HG       CYS  40   2.235   1.867   4.132
  334    H    ARG  41           H        ARG  41   0.829   0.780   0.166
  335    HA   ARG  41           HA       ARG  41  -1.227  -0.560   1.500
  336    HB2  ARG  41           2HB      ARG  41  -2.713   0.210  -0.324
  337    HB3  ARG  41           1HB      ARG  41  -1.707   1.478   0.349
  338    HG2  ARG  41           2HG      ARG  41  -1.598   1.916  -1.899
  339    HG3  ARG  41           1HG      ARG  41  -0.142   0.955  -1.648
  340    HD2  ARG  41           2HD      ARG  41  -1.281  -1.030  -2.466
  341    HD3  ARG  41           1HD      ARG  41  -2.779  -0.109  -2.647
  342    HE   ARG  41           HE       ARG  41  -0.515   0.938  -4.107
  343   HH11  ARG  41          1HH1      ARG  41  -3.307  -1.195  -4.256
  344   HH12  ARG  41          2HH1      ARG  41  -3.432  -1.091  -5.987
  345   HH21  ARG  41          1HH2      ARG  41  -0.657   1.031  -6.369
  346   HH22  ARG  41          2HH2      ARG  41  -1.901   0.122  -7.183
  347    H    LEU  42           H        LEU  42   0.641  -1.615  -1.293
  348    HA   LEU  42           HA       LEU  42  -1.059  -3.838  -1.882
  349    HB2  LEU  42           2HB      LEU  42   1.832  -3.276  -2.516
  350    HB3  LEU  42           1HB      LEU  42   1.034  -4.761  -3.000
  351    HG   LEU  42           HG       LEU  42   0.215  -1.980  -3.851
  352   HD11  LEU  42          1HD1      LEU  42   2.332  -2.678  -4.848
  353   HD12  LEU  42          2HD1      LEU  42   1.043  -2.645  -6.051
  354   HD13  LEU  42          3HD1      LEU  42   1.590  -4.184  -5.387
  355   HD21  LEU  42          3HD2      LEU  42  -0.815  -4.688  -4.702
  356   HD22  LEU  42          1HD2      LEU  42  -1.299  -3.134  -5.383
  357   HD23  LEU  42          2HD2      LEU  42  -1.678  -3.518  -3.704
  358    H    ALA  43           H        ALA  43   1.344  -3.150   0.460
  359    HA   ALA  43           HA       ALA  43   1.954  -5.797   1.208
  360    HB1  ALA  43           1HB      ALA  43   2.895  -4.831   3.224
  361    HB2  ALA  43           2HB      ALA  43   2.129  -3.287   2.851
  362    HB3  ALA  43           3HB      ALA  43   3.390  -3.922   1.796
  363    H    ILE  44           H        ILE  44  -0.438  -3.416   2.332
  364    HA   ILE  44           HA       ILE  44  -1.454  -5.102   4.392
  365    HB   ILE  44           HB       ILE  44  -3.288  -3.573   4.650
  366   HG12  ILE  44          2HG1      ILE  44  -2.351  -2.219   2.108
  367   HG13  ILE  44          1HG1      ILE  44  -3.799  -3.213   2.259
  368   HG21  ILE  44          1HG2      ILE  44  -0.706  -2.137   4.080
  369   HG22  ILE  44          2HG2      ILE  44  -1.200  -2.872   5.606
  370   HG23  ILE  44          3HG2      ILE  44  -2.058  -1.461   4.987
  371   HD11  ILE  44          3HD1      ILE  44  -3.280  -0.602   3.669
  372   HD12  ILE  44          1HD1      ILE  44  -4.714  -1.608   3.874
  373   HD13  ILE  44          2HD1      ILE  44  -4.376  -0.868   2.311
  374    H    LYS  45           H        LYS  45  -2.070  -4.750   0.988
  375    HA   LYS  45           HA       LYS  45  -4.466  -6.169   0.790
  376    HB2  LYS  45           2HB      LYS  45  -3.257  -5.014  -1.101
  377    HB3  LYS  45           1HB      LYS  45  -2.147  -6.378  -1.137
  378    HG2  LYS  45           2HG      LYS  45  -4.483  -7.690  -1.315
  379    HG3  LYS  45           1HG      LYS  45  -4.928  -6.167  -2.087
  380    HD2  LYS  45           2HD      LYS  45  -4.163  -7.564  -3.826
  381    HD3  LYS  45           1HD      LYS  45  -2.835  -6.445  -3.501
  382    HE2  LYS  45           2HE      LYS  45  -1.757  -8.154  -2.107
  383    HE3  LYS  45           1HE      LYS  45  -3.073  -9.269  -2.468
  384    HZ1  LYS  45           3HZ      LYS  45  -1.265  -9.779  -3.895
  385    HZ2  LYS  45           1HZ      LYS  45  -1.088  -8.163  -4.376
  386    HZ3  LYS  45           2HZ      LYS  45  -2.455  -9.043  -4.852
  387    H    GLU  46           H        GLU  46  -1.111  -7.290   0.867
  388    HA   GLU  46           HA       GLU  46  -1.725 -10.074   0.721
  389    HB2  GLU  46           2HB      GLU  46   0.480  -8.938   0.132
  390    HB3  GLU  46           1HB      GLU  46   0.770  -8.793   1.859
  391    HG2  GLU  46           2HG      GLU  46   1.959 -10.684   1.116
  392    HG3  GLU  46           1HG      GLU  46   0.557 -11.285   2.000
  393    H    TYR  47           H        TYR  47  -1.308  -7.694   3.217
  394    HA   TYR  47           HA       TYR  47  -1.130  -9.355   5.463
  395    HB2  TYR  47           2HB      TYR  47  -0.616  -6.944   5.462
  396    HB3  TYR  47           1HB      TYR  47  -2.320  -6.587   5.225
  397    HD1  TYR  47           1HD      TYR  47   0.178  -7.877   7.608
  398    HD2  TYR  47           2HD      TYR  47  -3.845  -6.599   7.063
  399    HE1  TYR  47           1HE      TYR  47  -0.110  -7.770  10.046
  400    HE2  TYR  47           2HE      TYR  47  -4.149  -6.494   9.501
  401    HH   TYR  47           HH       TYR  47  -1.503  -6.733  11.700
  402    H    LEU  48           H        LEU  48  -3.897  -7.944   3.783
  403    HA   LEU  48           HA       LEU  48  -5.891  -8.882   5.541
  404    HB2  LEU  48           2HB      LEU  48  -6.094  -8.234   2.600
  405    HB3  LEU  48           1HB      LEU  48  -7.455  -8.454   3.681
  406    HG   LEU  48           HG       LEU  48  -5.400  -6.249   3.843
  407   HD11  LEU  48          1HD1      LEU  48  -8.305  -6.231   3.055
  408   HD12  LEU  48          2HD1      LEU  48  -6.923  -5.949   1.995
  409   HD13  LEU  48          3HD1      LEU  48  -7.298  -4.800   3.280
  410   HD21  LEU  48          3HD2      LEU  48  -6.154  -6.889   6.064
  411   HD22  LEU  48          1HD2      LEU  48  -7.834  -6.773   5.545
  412   HD23  LEU  48          2HD2      LEU  48  -6.830  -5.325   5.605
  413    H    ASP  49           H        ASP  49  -4.556 -10.171   2.556
  414    HA   ASP  49           HA       ASP  49  -6.311 -12.307   2.202
  415    HB2  ASP  49           2HB      ASP  49  -4.736 -11.431   0.503
  416    HB3  ASP  49           1HB      ASP  49  -3.405 -12.160   1.395
  417    H    ASN  50           H        ASN  50  -3.184 -12.205   3.878
  418    HA   ASN  50           HA       ASN  50  -3.269 -15.024   4.416
  419    HB2  ASN  50           2HB      ASN  50  -1.345 -12.854   5.228
  420    HB3  ASN  50           1HB      ASN  50  -1.171 -14.524   5.755
  421   HD21  ASN  50          1HD2      ASN  50  -1.054 -12.339   3.063
  422   HD22  ASN  50          2HD2      ASN  50  -0.267 -13.416   1.964
  423    H    HIS  51           H        HIS  51  -4.225 -12.166   6.199
  424    HA   HIS  51           HA       HIS  51  -4.134 -13.653   8.700
  425    HB2  HIS  51           2HB      HIS  51  -4.231 -11.665   9.823
  426    HB3  HIS  51           1HB      HIS  51  -3.566 -11.095   8.302
  427    HD1  HIS  51           1HD      HIS  51  -5.663  -9.834  10.646
  428    HD2  HIS  51           2HD      HIS  51  -6.230 -10.547   6.593
  429    HE1  HIS  51           1HE      HIS  51  -7.536  -8.300   9.943
  430    HE2  HIS  51           2HE      HIS  51  -8.013  -8.929   7.540
  431    H    ASP  52           H        ASP  52  -6.366 -12.992   6.234
  432    HA   ASP  52           HA       ASP  52  -8.526 -14.019   7.950
  433    HB2  ASP  52           2HB      ASP  52  -8.850 -11.627   7.256
  434    HB3  ASP  52           1HB      ASP  52  -8.889 -12.171   5.582
  435    H    LYS  53           H        LYS  53  -8.226 -16.125   7.415
  436    HA   LYS  53           HA       LYS  53  -7.717 -16.890   4.672
  437    HB2  LYS  53           2HB      LYS  53  -7.935 -18.541   7.199
  438    HB3  LYS  53           1HB      LYS  53  -7.450 -19.164   5.624
  439    HG2  LYS  53           2HG      LYS  53  -5.501 -17.710   5.622
  440    HG3  LYS  53           1HG      LYS  53  -5.994 -17.024   7.173
  441    HD2  LYS  53           2HD      LYS  53  -5.737 -19.199   8.231
  442    HD3  LYS  53           1HD      LYS  53  -5.308 -19.922   6.680
  443    HE2  LYS  53           2HE      LYS  53  -3.312 -19.499   7.997
  444    HE3  LYS  53           1HE      LYS  53  -3.329 -18.482   6.560
  445    HZ1  LYS  53           3HZ      LYS  53  -4.190 -17.570   9.254
  446    HZ2  LYS  53           1HZ      LYS  53  -3.990 -16.613   7.867
  447    HZ3  LYS  53           2HZ      LYS  53  -2.640 -17.309   8.615
  448    H    GLN  54           H        GLN  54 -10.026 -18.086   7.109
  449    HA   GLN  54           HA       GLN  54 -12.208 -18.666   7.021
  450    HB2  GLN  54           2HB      GLN  54 -12.220 -16.988   4.515
  451    HB3  GLN  54           1HB      GLN  54 -13.654 -17.615   5.313
  452    HG2  GLN  54           2HG      GLN  54 -11.677 -15.673   6.486
  453    HG3  GLN  54           1HG      GLN  54 -13.284 -15.286   5.873
  454   HE21  GLN  54          1HE2      GLN  54 -15.108 -16.000   7.036
  455   HE22  GLN  54          2HE2      GLN  54 -14.991 -16.391   8.721
  456    H    LYS  55           H        LYS  55 -12.340 -20.812   6.757
  457    HA   LYS  55           HA       LYS  55 -12.319 -21.897   4.028
  458    HB2  LYS  55           2HB      LYS  55 -12.574 -23.304   6.697
  459    HB3  LYS  55           1HB      LYS  55 -12.528 -24.108   5.134
  460    HG2  LYS  55           2HG      LYS  55 -10.266 -23.161   4.774
  461    HG3  LYS  55           1HG      LYS  55 -10.321 -22.516   6.418
  462    HD2  LYS  55           2HD      LYS  55 -10.601 -24.776   7.302
  463    HD3  LYS  55           1HD      LYS  55 -10.580 -25.425   5.662
  464    HE2  LYS  55           2HE      LYS  55  -8.419 -25.728   6.698
  465    HE3  LYS  55           1HE      LYS  55  -8.292 -24.571   5.375
  466    HZ1  LYS  55           3HZ      LYS  55  -7.115 -24.016   7.529
  467    HZ2  LYS  55           1HZ      LYS  55  -8.645 -23.702   8.184
  468    HZ3  LYS  55           2HZ      LYS  55  -8.081 -22.796   6.863
  469    H    LYS  56           H        LYS  56 -14.421 -20.436   6.053
  470    HA   LYS  56           HA       LYS  56 -16.740 -21.690   4.789
  471    HB2  LYS  56           2HB      LYS  56 -16.471 -22.723   7.027
  472    HB3  LYS  56           1HB      LYS  56 -16.517 -21.126   7.757
  473    HG2  LYS  56           2HG      LYS  56 -18.806 -20.827   6.901
  474    HG3  LYS  56           1HG      LYS  56 -18.747 -22.464   6.243
  475    HD2  LYS  56           2HD      LYS  56 -18.380 -23.343   8.507
  476    HD3  LYS  56           1HD      LYS  56 -18.483 -21.705   9.151
  477    HE2  LYS  56           2HE      LYS  56 -20.599 -22.823   9.451
  478    HE3  LYS  56           1HE      LYS  56 -20.778 -21.533   8.260
  479    HZ1  LYS  56           3HZ      LYS  56 -20.613 -23.193   6.506
  480    HZ2  LYS  56           1HZ      LYS  56 -21.901 -23.549   7.549
  481    HZ3  LYS  56           2HZ      LYS  56 -20.453 -24.424   7.659
  482    H1   GLY   2           1HT      GLY   2  18.850  13.157  17.091
  483    H2   GLY   2           2HT      GLY   2  18.604  14.772  16.636
  484    H3   GLY   2           3HT      GLY   2  19.661  14.401  17.907
  485    HA2  GLY   2           1HA      GLY   2  20.880  14.957  15.893
  486    HA3  GLY   2           2HA      GLY   2  21.168  13.299  16.406
  487    H    ARG   3           H        ARG   3  21.839  13.520  13.970
  488    HA   ARG   3           HA       ARG   3  19.508  12.691  12.358
  489    HB2  ARG   3           2HB      ARG   3  22.078  14.008  11.443
  490    HB3  ARG   3           1HB      ARG   3  20.787  13.461  10.378
  491    HG2  ARG   3           2HG      ARG   3  19.262  15.063  11.303
  492    HG3  ARG   3           1HG      ARG   3  20.431  15.530  12.537
  493    HD2  ARG   3           2HD      ARG   3  21.938  16.328  10.746
  494    HD3  ARG   3           1HD      ARG   3  20.684  15.955   9.560
  495    HE   ARG   3           HE       ARG   3  19.325  17.549  11.176
  496   HH11  ARG   3          1HH1      ARG   3  22.532  17.976   9.788
  497   HH12  ARG   3          2HH1      ARG   3  22.520  19.696   9.994
  498   HH21  ARG   3          1HH2      ARG   3  19.316  19.810  11.421
  499   HH22  ARG   3          2HH2      ARG   3  20.692  20.740  10.903
  500    HA   PRO   4           HA       PRO   4  21.898   8.866  12.769
  501    HB2  PRO   4           2HB      PRO   4  19.455   7.582  11.815
  502    HB3  PRO   4           1HB      PRO   4  20.262   7.417  13.376
  503    HG2  PRO   4           2HG      PRO   4  17.878   8.669  13.089
  504    HG3  PRO   4           1HG      PRO   4  19.061   9.129  14.326
  505    HD2  PRO   4           2HD      PRO   4  18.476  10.426  11.687
  506    HD3  PRO   4           1HD      PRO   4  18.799  11.174  13.268
  507    H    TYR   5           H        TYR   5  19.484   9.096  10.168
  508    HA   TYR   5           HA       TYR   5  21.593   8.642   8.197
  509    HB2  TYR   5           2HB      TYR   5  19.032   7.047   8.417
  510    HB3  TYR   5           1HB      TYR   5  20.019   7.088   6.961
  511    HD1  TYR   5           1HD      TYR   5  22.350   6.192   7.044
  512    HD2  TYR   5           2HD      TYR   5  19.607   5.650  10.247
  513    HE1  TYR   5           1HE      TYR   5  23.747   4.371   7.920
  514    HE2  TYR   5           2HE      TYR   5  20.997   3.824  11.136
  515    HH   TYR   5           HH       TYR   5  24.172   3.230  10.031
  516    H    LYS   6           H        LYS   6  21.331  10.880   7.888
  517    HA   LYS   6           HA       LYS   6  20.616  12.732   6.824
  518    HB2  LYS   6           2HB      LYS   6  19.018  10.749   5.196
  519    HB3  LYS   6           1HB      LYS   6  19.231  12.444   4.780
  520    HG2  LYS   6           2HG      LYS   6  21.469  10.446   5.060
  521    HG3  LYS   6           1HG      LYS   6  20.718  10.927   3.538
  522    HD2  LYS   6           2HD      LYS   6  21.975  12.904   5.424
  523    HD3  LYS   6           1HD      LYS   6  22.890  12.092   4.154
  524    HE2  LYS   6           2HE      LYS   6  20.383  13.676   3.628
  525    HE3  LYS   6           1HE      LYS   6  21.999  14.384   3.581
  526    HZ1  LYS   6           3HZ      LYS   6  21.239  13.719   1.377
  527    HZ2  LYS   6           1HZ      LYS   6  21.063  12.115   1.897
  528    HZ3  LYS   6           2HZ      LYS   6  22.602  12.825   1.842
  529    H    LEU   7           H        LEU   7  17.527  11.164   6.251
  530    HA   LEU   7           HA       LEU   7  16.258  13.388   7.649
  531    HB2  LEU   7           2HB      LEU   7  15.608  12.773   5.312
  532    HB3  LEU   7           1HB      LEU   7  14.988  11.254   5.929
  533    HG   LEU   7           HG       LEU   7  13.331  12.485   7.281
  534   HD11  LEU   7          1HD1      LEU   7  14.410  14.931   5.884
  535   HD12  LEU   7          2HD1      LEU   7  14.606  14.552   7.595
  536   HD13  LEU   7          3HD1      LEU   7  12.999  14.872   6.940
  537   HD21  LEU   7          3HD2      LEU   7  13.337  13.202   4.349
  538   HD22  LEU   7          1HD2      LEU   7  11.932  13.236   5.415
  539   HD23  LEU   7          2HD2      LEU   7  12.727  11.705   5.055
  540    H    LEU   8           H        LEU   8  17.277  12.043   9.569
  541    HA   LEU   8           HA       LEU   8  16.848  11.057  11.573
  542    HB2  LEU   8           2HB      LEU   8  13.969  11.427  10.746
  543    HB3  LEU   8           1HB      LEU   8  14.527  11.085  12.373
  544    HG   LEU   8           HG       LEU   8  15.189  13.587  10.814
  545   HD11  LEU   8          1HD1      LEU   8  12.834  13.517  11.382
  546   HD12  LEU   8          2HD1      LEU   8  13.671  14.697  12.391
  547   HD13  LEU   8          3HD1      LEU   8  13.227  13.124  13.057
  548   HD21  LEU   8          3HD2      LEU   8  15.697  12.851  13.694
  549   HD22  LEU   8          1HD2      LEU   8  16.044  14.409  12.945
  550   HD23  LEU   8          2HD2      LEU   8  16.916  12.966  12.424
  551    H    ASN   9           H        ASN   9  16.755   9.396   8.967
  552    HA   ASN   9           HA       ASN   9  16.436   7.248   8.305
  553    HB2  ASN   9           2HB      ASN   9  17.699   6.780  10.427
  554    HB3  ASN   9           1HB      ASN   9  16.157   6.608  11.255
  555   HD21  ASN   9          1HD2      ASN   9  16.566   4.468  11.804
  556   HD22  ASN   9          2HD2      ASN   9  16.528   3.189  10.638
  557    H    GLY  10           H        GLY  10  14.268   8.861   8.126
  558    HA2  GLY  10           2HA      GLY  10  12.118   6.933   8.179
  559    HA3  GLY  10           1HA      GLY  10  11.883   8.307   9.254
  560    H    ILE  11           H        ILE  11  11.123   7.173   6.317
  561    HA   ILE  11           HA       ILE  11  11.333   9.771   4.936
  562    HB   ILE  11           HB       ILE  11  10.840   7.058   3.690
  563   HG12  ILE  11          2HG1      ILE  11  13.062   7.101   4.727
  564   HG13  ILE  11          1HG1      ILE  11  13.186   7.098   2.971
  565   HG21  ILE  11          1HG2      ILE  11  10.021   8.897   2.350
  566   HG22  ILE  11          2HG2      ILE  11  11.452   8.192   1.595
  567   HG23  ILE  11          3HG2      ILE  11  11.578   9.715   2.476
  568   HD11  ILE  11          3HD1      ILE  11  13.540   9.462   4.800
  569   HD12  ILE  11          1HD1      ILE  11  13.570   9.539   3.039
  570   HD13  ILE  11          2HD1      ILE  11  14.801   8.619   3.906
  571    H    LYS  12           H        LYS  12   9.502  10.678   4.006
  572    HA   LYS  12           HA       LYS  12   6.981   9.631   5.074
  573    HB2  LYS  12           2HB      LYS  12   7.631  11.937   5.698
  574    HB3  LYS  12           1HB      LYS  12   7.624  12.385   3.997
  575    HG2  LYS  12           2HG      LYS  12   5.589  13.123   5.072
  576    HG3  LYS  12           1HG      LYS  12   5.231  11.869   3.882
  577    HD2  LYS  12           2HD      LYS  12   5.102  10.204   5.659
  578    HD3  LYS  12           1HD      LYS  12   5.493  11.437   6.860
  579    HE2  LYS  12           2HE      LYS  12   3.065  11.428   5.072
  580    HE3  LYS  12           1HE      LYS  12   3.086  10.950   6.768
  581    HZ1  LYS  12           3HZ      LYS  12   2.300  13.186   6.597
  582    HZ2  LYS  12           1HZ      LYS  12   3.641  13.659   5.673
  583    HZ3  LYS  12           2HZ      LYS  12   3.843  13.236   7.300
  584    H    LEU  13           H        LEU  13   5.726   8.579   3.745
  585    HA   LEU  13           HA       LEU  13   5.827   9.235   0.881
  586    HB2  LEU  13           2HB      LEU  13   5.069   6.790   0.607
  587    HB3  LEU  13           1HB      LEU  13   6.756   7.115   0.945
  588    HG   LEU  13           HG       LEU  13   4.912   6.480   3.219
  589   HD11  LEU  13          1HD1      LEU  13   6.187   4.457   1.379
  590   HD12  LEU  13          2HD1      LEU  13   4.458   4.735   1.589
  591   HD13  LEU  13          3HD1      LEU  13   5.418   4.095   2.923
  592   HD21  LEU  13          3HD2      LEU  13   6.986   5.495   4.130
  593   HD22  LEU  13          1HD2      LEU  13   7.176   7.208   3.740
  594   HD23  LEU  13          2HD2      LEU  13   7.839   5.975   2.663
  595    H    GLY  14           H        GLY  14   3.956   9.429  -0.218
  596    HA2  GLY  14           2HA      GLY  14   1.531   9.515   1.441
  597    HA3  GLY  14           1HA      GLY  14   1.789  10.412  -0.048
  598    H    VAL  15           H        VAL  15   0.245   7.825   1.290
  599    HA   VAL  15           HA       VAL  15   0.145   6.347  -1.254
  600    HB   VAL  15           HB       VAL  15  -0.891   5.418   1.437
  601   HG11  VAL  15          1HG1      VAL  15  -1.881   4.289  -0.493
  602   HG12  VAL  15          2HG1      VAL  15  -0.861   3.199   0.445
  603   HG13  VAL  15          3HG1      VAL  15  -0.267   3.872  -1.074
  604   HG21  VAL  15          3HG2      VAL  15   1.145   4.056   1.601
  605   HG22  VAL  15          1HG2      VAL  15   1.501   5.783   1.612
  606   HG23  VAL  15          2HG2      VAL  15   1.772   4.837   0.149
  607    H    TYR  16           H        TYR  16  -1.964   5.673  -2.043
  608    HA   TYR  16           HA       TYR  16  -4.245   7.166  -0.970
  609    HB2  TYR  16           2HB      TYR  16  -3.127   7.329  -3.722
  610    HB3  TYR  16           1HB      TYR  16  -4.879   7.342  -3.544
  611    HD1  TYR  16           1HD      TYR  16  -1.769   9.160  -2.802
  612    HD2  TYR  16           2HD      TYR  16  -6.015   9.212  -2.561
  613    HE1  TYR  16           1HE      TYR  16  -1.706  11.552  -2.253
  614    HE2  TYR  16           2HE      TYR  16  -5.960  11.600  -2.015
  615    HH   TYR  16           HH       TYR  16  -4.520  13.293  -1.205
  616    H    ILE  17           H        ILE  17  -5.899   5.899  -0.620
  617    HA   ILE  17           HA       ILE  17  -6.513   3.717  -2.436
  618    HB   ILE  17           HB       ILE  17  -6.901   2.144  -0.510
  619   HG12  ILE  17          2HG1      ILE  17  -5.099   4.089   0.947
  620   HG13  ILE  17          1HG1      ILE  17  -6.797   3.789   1.305
  621   HG21  ILE  17          1HG2      ILE  17  -5.064   1.801  -2.039
  622   HG22  ILE  17          2HG2      ILE  17  -4.560   1.392  -0.400
  623   HG23  ILE  17          3HG2      ILE  17  -4.055   2.920  -1.121
  624   HD11  ILE  17          3HD1      ILE  17  -6.290   1.513   1.949
  625   HD12  ILE  17          1HD1      ILE  17  -5.297   2.647   2.865
  626   HD13  ILE  17          2HD1      ILE  17  -4.596   1.747   1.518
  627    HA   PRO  18           HA       PRO  18 -10.772   4.645  -1.849
  628    HB2  PRO  18           2HB      PRO  18 -11.735   2.169  -0.938
  629    HB3  PRO  18           1HB      PRO  18 -11.615   2.693  -2.621
  630    HG2  PRO  18           2HG      PRO  18  -9.753   0.997  -1.022
  631    HG3  PRO  18           1HG      PRO  18 -10.199   0.874  -2.734
  632    HD2  PRO  18           2HD      PRO  18  -7.841   1.876  -2.006
  633    HD3  PRO  18           1HD      PRO  18  -8.753   2.593  -3.354
  634    H    GLN  19           H        GLN  19 -12.211   5.288  -0.313
  635    HA   GLN  19           HA       GLN  19 -11.226   5.599   2.342
  636    HB2  GLN  19           2HB      GLN  19 -13.303   6.753   2.780
  637    HB3  GLN  19           1HB      GLN  19 -12.682   7.251   1.210
  638    HG2  GLN  19           2HG      GLN  19 -14.225   5.405   0.276
  639    HG3  GLN  19           1HG      GLN  19 -15.018   5.506   1.848
  640   HE21  GLN  19          1HE2      GLN  19 -16.147   7.346   2.411
  641   HE22  GLN  19          2HE2      GLN  19 -16.583   8.550   1.249
  642    H    GLU  20           H        GLU  20 -13.507   3.460   0.789
  643    HA   GLU  20           HA       GLU  20 -14.638   2.167   2.958
  644    HB2  GLU  20           2HB      GLU  20 -13.653   0.895   0.397
  645    HB3  GLU  20           1HB      GLU  20 -14.827   0.199   1.505
  646    HG2  GLU  20           2HG      GLU  20 -16.328   2.112   1.047
  647    HG3  GLU  20           1HG      GLU  20 -15.163   2.694  -0.144
  648    H    TRP  21           H        TRP  21 -11.416   1.871   1.618
  649    HA   TRP  21           HA       TRP  21 -10.731  -0.421   3.221
  650    HB2  TRP  21           2HB      TRP  21  -9.678   0.858   0.932
  651    HB3  TRP  21           1HB      TRP  21  -8.444   0.997   2.181
  652    HD1  TRP  21           HD       TRP  21 -10.547  -2.144   2.322
  653    HE1  TRP  21           1HE      TRP  21  -9.135  -4.148   1.531
  654    HE3  TRP  21           3HE      TRP  21  -6.506   0.381   0.495
  655    HZ2  TRP  21           2HZ      TRP  21  -6.635  -4.590   0.285
  656    HZ3  TRP  21           3HZ      TRP  21  -4.652  -0.898  -0.483
  657    HH2  TRP  21           HH       TRP  21  -4.711  -3.325  -0.585
  658    H    HIS  22           H        HIS  22 -10.341   3.063   3.321
  659    HA   HIS  22           HA       HIS  22  -8.607   3.204   5.545
  660    HB2  HIS  22           2HB      HIS  22 -10.650   5.109   4.414
  661    HB3  HIS  22           1HB      HIS  22  -9.810   5.475   5.917
  662    HD1  HIS  22           1HD      HIS  22  -7.762   6.826   5.631
  663    HD2  HIS  22           2HD      HIS  22  -8.636   4.590   2.226
  664    HE1  HIS  22           1HE      HIS  22  -6.049   7.494   3.919
  665    HE2  HIS  22           2HE      HIS  22  -6.669   6.225   1.833
  666    H    ASP  23           H        ASP  23 -12.128   3.143   5.268
  667    HA   ASP  23           HA       ASP  23 -12.771   3.611   7.936
  668    HB2  ASP  23           2HB      ASP  23 -14.447   3.756   6.202
  669    HB3  ASP  23           1HB      ASP  23 -14.269   2.043   5.834
  670    H    ARG  24           H        ARG  24 -12.527   0.442   6.269
  671    HA   ARG  24           HA       ARG  24 -13.057  -0.920   8.733
  672    HB2  ARG  24           2HB      ARG  24 -12.464  -1.792   5.951
  673    HB3  ARG  24           1HB      ARG  24 -12.210  -2.949   7.251
  674    HG2  ARG  24           2HG      ARG  24 -14.377  -3.389   6.601
  675    HG3  ARG  24           1HG      ARG  24 -14.606  -2.310   7.976
  676    HD2  ARG  24           2HD      ARG  24 -16.083  -1.527   6.334
  677    HD3  ARG  24           1HD      ARG  24 -14.707  -0.423   6.271
  678    HE   ARG  24           HE       ARG  24 -14.119  -2.347   4.424
  679   HH11  ARG  24          1HH1      ARG  24 -16.789  -0.128   4.891
  680   HH12  ARG  24          2HH1      ARG  24 -17.220  -0.089   3.209
  681   HH21  ARG  24          1HH2      ARG  24 -14.652  -2.288   2.215
  682   HH22  ARG  24          2HH2      ARG  24 -16.006  -1.335   1.682
  683    H    LEU  25           H        LEU  25 -10.129  -0.166   6.909
  684    HA   LEU  25           HA       LEU  25  -8.413  -1.833   8.425
  685    HB2  LEU  25           2HB      LEU  25  -8.078   0.350   6.482
  686    HB3  LEU  25           1HB      LEU  25  -6.761   0.172   7.625
  687    HG   LEU  25           HG       LEU  25  -6.308  -1.049   5.557
  688   HD11  LEU  25          1HD1      LEU  25  -5.774  -3.221   6.519
  689   HD12  LEU  25          2HD1      LEU  25  -6.855  -2.897   7.874
  690   HD13  LEU  25          3HD1      LEU  25  -5.404  -1.919   7.649
  691   HD21  LEU  25          3HD2      LEU  25  -7.642  -3.003   4.934
  692   HD22  LEU  25          1HD2      LEU  25  -8.595  -1.522   4.871
  693   HD23  LEU  25          2HD2      LEU  25  -8.785  -2.634   6.225
  694    H    MET  26           H        MET  26  -9.241   1.614   8.714
  695    HA   MET  26           HA       MET  26  -7.518   2.137  10.871
  696    HB2  MET  26           2HB      MET  26  -9.955   3.512   9.809
  697    HB3  MET  26           1HB      MET  26  -9.191   4.066  11.293
  698    HG2  MET  26           2HG      MET  26  -7.722   3.735   8.696
  699    HG3  MET  26           1HG      MET  26  -8.482   5.246   9.206
  700    HE1  MET  26           3HE      MET  26  -6.437   6.125  12.443
  701    HE2  MET  26           1HE      MET  26  -7.955   5.229  12.360
  702    HE3  MET  26           2HE      MET  26  -7.710   6.647  11.339
  703    H    GLU  27           H        GLU  27 -10.817   0.897  10.806
  704    HA   GLU  27           HA       GLU  27 -11.226   1.171  13.602
  705    HB2  GLU  27           2HB      GLU  27 -12.568  -0.513  11.505
  706    HB3  GLU  27           1HB      GLU  27 -13.040  -0.582  13.201
  707    HG2  GLU  27           2HG      GLU  27 -13.117   1.820  11.390
  708    HG3  GLU  27           1HG      GLU  27 -14.494   0.937  12.053
  709    H    ILE  28           H        ILE  28 -10.049  -1.522  11.611
  710    HA   ILE  28           HA       ILE  28  -9.584  -3.303  13.759
  711    HB   ILE  28           HB       ILE  28  -8.062  -3.054  11.151
  712   HG12  ILE  28          2HG1      ILE  28 -10.358  -4.874  11.913
  713   HG13  ILE  28          1HG1      ILE  28 -10.482  -3.469  10.862
  714   HG21  ILE  28          1HG2      ILE  28  -6.787  -4.294  12.809
  715   HG22  ILE  28          2HG2      ILE  28  -7.384  -5.379  11.552
  716   HG23  ILE  28          3HG2      ILE  28  -8.179  -5.329  13.125
  717   HD11  ILE  28          3HD1      ILE  28 -10.414  -5.530   9.580
  718   HD12  ILE  28          1HD1      ILE  28  -8.864  -5.946  10.312
  719   HD13  ILE  28          2HD1      ILE  28  -8.990  -4.541   9.254
  720    H    ALA  29           H        ALA  29  -7.762  -0.700  12.311
  721    HA   ALA  29           HA       ALA  29  -5.389  -0.961  13.794
  722    HB1  ALA  29           1HB      ALA  29  -5.555   0.372  11.752
  723    HB2  ALA  29           2HB      ALA  29  -4.922   1.324  13.096
  724    HB3  ALA  29           3HB      ALA  29  -6.600   1.521  12.589
  725    H    LYS  30           H        LYS  30  -8.524   0.219  14.686
  726    HA   LYS  30           HA       LYS  30  -7.631   1.835  16.884
  727    HB2  LYS  30           2HB      LYS  30 -10.347   0.556  16.477
  728    HB3  LYS  30           1HB      LYS  30  -9.970   1.852  17.603
  729    HG2  LYS  30           2HG      LYS  30  -9.807   2.067  14.606
  730    HG3  LYS  30           1HG      LYS  30 -11.150   2.632  15.600
  731    HD2  LYS  30           2HD      LYS  30  -9.613   4.153  16.771
  732    HD3  LYS  30           1HD      LYS  30  -8.299   3.607  15.727
  733    HE2  LYS  30           2HE      LYS  30  -9.233   5.717  14.938
  734    HE3  LYS  30           1HE      LYS  30  -9.504   4.425  13.769
  735    HZ1  LYS  30           3HZ      LYS  30 -11.458   5.868  14.140
  736    HZ2  LYS  30           1HZ      LYS  30 -11.520   5.337  15.751
  737    HZ3  LYS  30           2HZ      LYS  30 -11.769   4.235  14.481
  738    H    GLU  31           H        GLU  31  -8.749  -1.437  16.392
  739    HA   GLU  31           HA       GLU  31  -8.747  -2.327  19.050
  740    HB2  GLU  31           2HB      GLU  31  -7.899  -3.995  16.692
  741    HB3  GLU  31           1HB      GLU  31  -8.679  -4.532  18.171
  742    HG2  GLU  31           2HG      GLU  31 -10.724  -3.401  17.531
  743    HG3  GLU  31           1HG      GLU  31  -9.948  -2.801  16.065
  744    H    LYS  32           H        LYS  32  -6.184  -1.949  16.694
  745    HA   LYS  32           HA       LYS  32  -4.252  -3.303  18.403
  746    HB2  LYS  32           2HB      LYS  32  -4.211  -2.318  15.569
  747    HB3  LYS  32           1HB      LYS  32  -2.713  -2.718  16.391
  748    HG2  LYS  32           2HG      LYS  32  -3.495  -4.572  15.029
  749    HG3  LYS  32           1HG      LYS  32  -3.496  -5.003  16.737
  750    HD2  LYS  32           2HD      LYS  32  -5.885  -4.702  16.858
  751    HD3  LYS  32           1HD      LYS  32  -5.931  -4.096  15.202
  752    HE2  LYS  32           2HE      LYS  32  -5.313  -6.235  14.332
  753    HE3  LYS  32           1HE      LYS  32  -4.984  -6.857  15.948
  754    HZ1  LYS  32           3HZ      LYS  32  -7.669  -5.981  15.013
  755    HZ2  LYS  32           1HZ      LYS  32  -7.293  -6.744  16.481
  756    HZ3  LYS  32           2HZ      LYS  32  -7.133  -7.595  15.022
  757    H    ASN  33           H        ASN  33  -5.423  -0.233  18.151
  758    HA   ASN  33           HA       ASN  33  -4.789   1.802  18.947
  759    HB2  ASN  33           2HB      ASN  33  -2.464   0.296  20.180
  760    HB3  ASN  33           1HB      ASN  33  -2.965   1.931  20.599
  761   HD21  ASN  33          1HD2      ASN  33  -5.805   1.314  20.459
  762   HD22  ASN  33          2HD2      ASN  33  -6.160   0.375  21.864
  763    H    LEU  34           H        LEU  34  -4.122   1.175  16.373
  764    HA   LEU  34           HA       LEU  34  -1.597   2.607  15.937
  765    HB2  LEU  34           2HB      LEU  34  -2.523   0.109  14.509
  766    HB3  LEU  34           1HB      LEU  34  -1.132   1.070  14.041
  767    HG   LEU  34           HG       LEU  34  -1.403  -0.385  16.675
  768   HD11  LEU  34          1HD1      LEU  34  -1.262  -1.967  14.849
  769   HD12  LEU  34          2HD1      LEU  34   0.257  -1.932  15.744
  770   HD13  LEU  34          3HD1      LEU  34   0.133  -1.112  14.187
  771   HD21  LEU  34          3HD2      LEU  34   0.951   0.994  15.392
  772   HD22  LEU  34          1HD2      LEU  34   0.978   0.098  16.910
  773   HD23  LEU  34          2HD2      LEU  34   0.036   1.584  16.779
  774    H    THR  35           H        THR  35  -1.470   3.415  13.631
  775    HA   THR  35           HA       THR  35  -4.152   4.124  12.649
  776    HB   THR  35           HB       THR  35  -2.998   5.835  11.271
  777    HG1  THR  35           1HG      THR  35  -0.685   4.900  12.681
  778   HG21  THR  35          3HG2      THR  35  -2.329   5.991  14.211
  779   HG22  THR  35          1HG2      THR  35  -3.872   6.433  13.481
  780   HG23  THR  35          2HG2      THR  35  -2.420   7.354  13.096
  781    H    LEU  36           H        LEU  36  -4.372   4.140  10.189
  782    HA   LEU  36           HA       LEU  36  -3.781   1.582   9.210
  783    HB2  LEU  36           2HB      LEU  36  -4.772   2.196   7.192
  784    HB3  LEU  36           1HB      LEU  36  -5.600   3.156   8.397
  785    HG   LEU  36           HG       LEU  36  -3.376   4.224   6.655
  786   HD11  LEU  36          1HD1      LEU  36  -5.249   3.504   5.276
  787   HD12  LEU  36          2HD1      LEU  36  -5.143   5.264   5.328
  788   HD13  LEU  36          3HD1      LEU  36  -6.362   4.423   6.289
  789   HD21  LEU  36          3HD2      LEU  36  -4.277   6.406   7.310
  790   HD22  LEU  36          1HD2      LEU  36  -3.731   5.486   8.713
  791   HD23  LEU  36          2HD2      LEU  36  -5.453   5.607   8.354
  792    H    SER  37           H        SER  37  -2.064   4.604   8.935
  793    HA   SER  37           HA       SER  37  -0.127   3.949   7.053
  794    HB2  SER  37           2HB      SER  37   0.258   5.582   9.574
  795    HB3  SER  37           1HB      SER  37   1.216   5.683   8.096
  796    HG   SER  37           HG       SER  37  -0.183   7.098   7.464
  797    H    ASP  38           H        ASP  38  -0.204   3.355  10.547
  798    HA   ASP  38           HA       ASP  38   2.344   2.146  10.732
  799    HB2  ASP  38           2HB      ASP  38  -0.084   1.723  12.488
  800    HB3  ASP  38           1HB      ASP  38   1.560   1.240  12.886
  801    H    VAL  39           H        VAL  39  -0.911   0.850  10.296
  802    HA   VAL  39           HA       VAL  39  -0.191  -1.874  10.348
  803    HB   VAL  39           HB       VAL  39  -2.519  -0.603   8.890
  804   HG11  VAL  39          1HG1      VAL  39  -2.111  -2.894   8.170
  805   HG12  VAL  39          2HG1      VAL  39  -3.592  -2.793   9.119
  806   HG13  VAL  39          3HG1      VAL  39  -2.121  -3.438   9.848
  807   HG21  VAL  39          3HG2      VAL  39  -2.366  -1.681  11.704
  808   HG22  VAL  39          1HG2      VAL  39  -3.823  -1.094  10.900
  809   HG23  VAL  39          2HG2      VAL  39  -2.499   0.018  11.246
  810    H    CYS  40           H        CYS  40  -0.144   0.542   7.812
  811    HA   CYS  40           HA       CYS  40   0.011  -1.203   5.616
  812    HB2  CYS  40           2HB      CYS  40  -0.337   1.430   5.791
  813    HB3  CYS  40           1HB      CYS  40   1.395   1.458   5.470
  814    HG   CYS  40           HG       CYS  40   0.229  -0.565   3.285
  815    H    ARG  41           H        ARG  41   2.721   0.686   7.027
  816    HA   ARG  41           HA       ARG  41   4.727  -0.819   5.849
  817    HB2  ARG  41           2HB      ARG  41   6.166   0.136   7.738
  818    HB3  ARG  41           1HB      ARG  41   5.389   1.259   6.637
  819    HG2  ARG  41           2HG      ARG  41   4.897   2.303   8.563
  820    HG3  ARG  41           1HG      ARG  41   3.524   1.200   8.534
  821    HD2  ARG  41           2HD      ARG  41   4.659  -0.319  10.033
  822    HD3  ARG  41           1HD      ARG  41   6.120   0.677   9.976
  823    HE   ARG  41           HE       ARG  41   3.802   2.122  10.848
  824   HH11  ARG  41          1HH1      ARG  41   6.435   0.071  11.922
  825   HH12  ARG  41          2HH1      ARG  41   6.344   0.622  13.567
  826   HH21  ARG  41          1HH2      ARG  41   3.709   2.872  12.993
  827   HH22  ARG  41          2HH2      ARG  41   4.831   2.239  14.170
  828    H    LEU  42           H        LEU  42   3.027  -1.424   8.910
  829    HA   LEU  42           HA       LEU  42   4.839  -3.421   9.800
  830    HB2  LEU  42           2HB      LEU  42   1.935  -2.942  10.438
  831    HB3  LEU  42           1HB      LEU  42   2.872  -4.224  11.181
  832    HG   LEU  42           HG       LEU  42   3.453  -1.268  11.398
  833   HD11  LEU  42          1HD1      LEU  42   1.479  -1.939  12.658
  834   HD12  LEU  42          2HD1      LEU  42   2.816  -1.553  13.740
  835   HD13  LEU  42          3HD1      LEU  42   2.395  -3.236  13.423
  836   HD21  LEU  42          3HD2      LEU  42   4.809  -3.639  12.680
  837   HD22  LEU  42          1HD2      LEU  42   5.140  -1.945  13.042
  838   HD23  LEU  42          2HD2      LEU  42   5.497  -2.591  11.439
  839    H    ALA  43           H        ALA  43   2.116  -3.435   7.629
  840    HA   ALA  43           HA       ALA  43   1.970  -6.261   7.328
  841    HB1  ALA  43           1HB      ALA  43   1.081  -4.089   5.437
  842    HB2  ALA  43           2HB      ALA  43   0.114  -4.775   6.741
  843    HB3  ALA  43           3HB      ALA  43   0.600  -5.785   5.378
  844    H    ILE  44           H        ILE  44   3.937  -3.718   5.937
  845    HA   ILE  44           HA       ILE  44   5.002  -5.234   3.784
  846    HB   ILE  44           HB       ILE  44   6.135  -2.846   5.251
  847   HG12  ILE  44          2HG1      ILE  44   4.784  -3.208   2.575
  848   HG13  ILE  44          1HG1      ILE  44   4.216  -2.262   3.947
  849   HG21  ILE  44          1HG2      ILE  44   7.234  -4.213   2.794
  850   HG22  ILE  44          2HG2      ILE  44   7.987  -4.167   4.389
  851   HG23  ILE  44          3HG2      ILE  44   7.802  -2.681   3.457
  852   HD11  ILE  44          3HD1      ILE  44   6.681  -1.637   2.333
  853   HD12  ILE  44          1HD1      ILE  44   6.001  -0.670   3.640
  854   HD13  ILE  44          2HD1      ILE  44   5.107  -0.865   2.134
  855    H    LYS  45           H        LYS  45   5.974  -4.731   7.150
  856    HA   LYS  45           HA       LYS  45   8.355  -6.190   7.033
  857    HB2  LYS  45           2HB      LYS  45   7.609  -4.735   8.950
  858    HB3  LYS  45           1HB      LYS  45   6.524  -6.035   9.429
  859    HG2  LYS  45           2HG      LYS  45   8.374  -7.520   9.806
  860    HG3  LYS  45           1HG      LYS  45   9.509  -6.328   9.173
  861    HD2  LYS  45           2HD      LYS  45   9.619  -6.301  11.574
  862    HD3  LYS  45           1HD      LYS  45   8.860  -4.806  11.028
  863    HE2  LYS  45           2HE      LYS  45   6.696  -5.587  11.633
  864    HE3  LYS  45           1HE      LYS  45   7.296  -7.221  11.913
  865    HZ1  LYS  45           3HZ      LYS  45   6.941  -6.037  13.989
  866    HZ2  LYS  45           1HZ      LYS  45   8.026  -4.820  13.509
  867    HZ3  LYS  45           2HZ      LYS  45   8.586  -6.397  13.777
  868    H    GLU  46           H        GLU  46   5.020  -7.196   7.393
  869    HA   GLU  46           HA       GLU  46   5.575  -9.968   7.832
  870    HB2  GLU  46           2HB      GLU  46   3.415  -8.862   8.409
  871    HB3  GLU  46           1HB      GLU  46   3.095  -8.649   6.695
  872    HG2  GLU  46           2HG      GLU  46   1.845 -10.518   7.456
  873    HG3  GLU  46           1HG      GLU  46   3.153 -11.118   6.438
  874    H    TYR  47           H        TYR  47   4.948  -7.911   5.077
  875    HA   TYR  47           HA       TYR  47   4.641  -9.847   3.093
  876    HB2  TYR  47           2HB      TYR  47   4.050  -7.420   2.931
  877    HB3  TYR  47           1HB      TYR  47   5.764  -7.056   2.786
  878    HD1  TYR  47           1HD      TYR  47   2.945  -8.810   1.139
  879    HD2  TYR  47           2HD      TYR  47   6.849  -7.174   0.693
  880    HE1  TYR  47           1HE      TYR  47   2.772  -9.071  -1.299
  881    HE2  TYR  47           2HE      TYR  47   6.688  -7.439  -1.747
  882    HH   TYR  47           HH       TYR  47   3.713  -8.234  -3.314
  883    H    LEU  48           H        LEU  48   7.497  -8.065   4.185
  884    HA   LEU  48           HA       LEU  48   9.327  -9.199   2.355
  885    HB2  LEU  48           2HB      LEU  48   9.841  -8.027   5.087
  886    HB3  LEU  48           1HB      LEU  48  11.060  -8.332   3.865
  887    HG   LEU  48           HG       LEU  48   8.793  -6.352   3.626
  888   HD11  LEU  48          1HD1      LEU  48  10.558  -4.667   3.760
  889   HD12  LEU  48          2HD1      LEU  48  11.750  -5.938   4.033
  890   HD13  LEU  48          3HD1      LEU  48  10.484  -5.645   5.227
  891   HD21  LEU  48          3HD2      LEU  48   9.421  -7.317   1.469
  892   HD22  LEU  48          1HD2      LEU  48  11.110  -6.913   1.779
  893   HD23  LEU  48          2HD2      LEU  48   9.916  -5.629   1.586
  894    H    ASP  49           H        ASP  49   8.557  -9.942   5.716
  895    HA   ASP  49           HA       ASP  49  10.450 -11.958   6.124
  896    HB2  ASP  49           2HB      ASP  49   9.111 -10.764   7.869
  897    HB3  ASP  49           1HB      ASP  49   7.722 -11.738   7.401
  898    H    ASN  50           H        ASN  50   7.315 -12.032   4.621
  899    HA   ASN  50           HA       ASN  50   6.964 -14.866   4.806
  900    HB2  ASN  50           2HB      ASN  50   5.084 -13.254   4.728
  901    HB3  ASN  50           1HB      ASN  50   5.528 -12.847   3.075
  902   HD21  ASN  50          1HD2      ASN  50   4.112 -15.205   5.167
  903   HD22  ASN  50          2HD2      ASN  50   3.446 -16.205   3.920
  904    H    HIS  51           H        HIS  51   8.464 -12.722   2.504
  905    HA   HIS  51           HA       HIS  51   8.303 -14.710   0.375
  906    HB2  HIS  51           2HB      HIS  51   8.666 -13.022  -1.103
  907    HB3  HIS  51           1HB      HIS  51   8.187 -12.004   0.246
  908    HD1  HIS  51           1HD      HIS  51  10.337 -11.056   1.702
  909    HD2  HIS  51           2HD      HIS  51  11.094 -12.432  -2.148
  910    HE1  HIS  51           1HE      HIS  51  12.554 -10.063   1.053
  911    HE2  HIS  51           2HE      HIS  51  13.079 -11.073  -1.192
  912    H    ASP  52           H        ASP  52  10.452 -13.821   2.852
  913    HA   ASP  52           HA       ASP  52  12.811 -14.730   1.361
  914    HB2  ASP  52           2HB      ASP  52  12.819 -12.504   2.573
  915    HB3  ASP  52           1HB      ASP  52  12.763 -13.414   4.080
  916    H    LYS  53           H        LYS  53  13.491 -16.738   1.641
  917    HA   LYS  53           HA       LYS  53  12.967 -18.058   4.218
  918    HB2  LYS  53           2HB      LYS  53  12.693 -19.317   1.479
  919    HB3  LYS  53           1HB      LYS  53  12.514 -20.160   3.013
  920    HG2  LYS  53           2HG      LYS  53  10.582 -18.791   3.560
  921    HG3  LYS  53           1HG      LYS  53  10.774 -17.895   2.053
  922    HD2  LYS  53           2HD      LYS  53  10.355 -19.925   0.775
  923    HD3  LYS  53           1HD      LYS  53  10.225 -20.855   2.269
  924    HE2  LYS  53           2HE      LYS  53   8.020 -20.318   1.374
  925    HE3  LYS  53           1HE      LYS  53   8.284 -19.530   2.929
  926    HZ1  LYS  53           3HZ      LYS  53   8.698 -17.465   1.827
  927    HZ2  LYS  53           1HZ      LYS  53   7.239 -18.085   1.232
  928    HZ3  LYS  53           2HZ      LYS  53   8.652 -18.196   0.298
  929    H    GLN  54           H        GLN  54  14.627 -18.954   1.191
  930    HA   GLN  54           HA       GLN  54  16.751 -19.582   0.720
  931    HB2  GLN  54           2HB      GLN  54  17.348 -17.996   3.217
  932    HB3  GLN  54           1HB      GLN  54  18.597 -18.719   2.213
  933    HG2  GLN  54           2HG      GLN  54  16.578 -16.702   1.254
  934    HG3  GLN  54           1HG      GLN  54  18.228 -16.325   1.750
  935   HE21  GLN  54          1HE2      GLN  54  19.951 -17.009   0.453
  936   HE22  GLN  54          2HE2      GLN  54  19.726 -17.492  -1.193
  937    H    LYS  55           H        LYS  55  16.706 -21.754   0.832
  938    HA   LYS  55           HA       LYS  55  16.878 -23.097   3.415
  939    HB2  LYS  55           2HB      LYS  55  16.631 -24.136   0.593
  940    HB3  LYS  55           1HB      LYS  55  16.770 -25.177   2.000
  941    HG2  LYS  55           2HG      LYS  55  14.678 -24.295   2.878
  942    HG3  LYS  55           1HG      LYS  55  14.546 -23.211   1.487
  943    HD2  LYS  55           2HD      LYS  55  14.399 -25.082  -0.018
  944    HD3  LYS  55           1HD      LYS  55  14.696 -26.215   1.299
  945    HE2  LYS  55           2HE      LYS  55  12.592 -25.569   2.345
  946    HE3  LYS  55           1HE      LYS  55  12.304 -24.390   1.065
  947    HZ1  LYS  55           3HZ      LYS  55  11.111 -26.523   0.763
  948    HZ2  LYS  55           1HZ      LYS  55  12.605 -27.306   0.594
  949    HZ3  LYS  55           2HZ      LYS  55  12.128 -26.130  -0.534
  950    H    LYS  56           H        LYS  56  18.903 -22.106   0.827
  951    HA   LYS  56           HA       LYS  56  21.015 -23.997   1.515
  952    HB2  LYS  56           2HB      LYS  56  20.529 -23.603  -0.863
  953    HB3  LYS  56           1HB      LYS  56  20.889 -21.895  -0.656
  954    HG2  LYS  56           2HG      LYS  56  23.201 -22.443  -0.098
  955    HG3  LYS  56           1HG      LYS  56  22.840 -24.160  -0.297
  956    HD2  LYS  56           2HD      LYS  56  22.222 -23.722  -2.647
  957    HD3  LYS  56           1HD      LYS  56  22.687 -22.033  -2.430
  958    HE2  LYS  56           2HE      LYS  56  24.480 -23.298  -3.486
  959    HE3  LYS  56           1HE      LYS  56  24.964 -22.723  -1.890
  960    HZ1  LYS  56           3HZ      LYS  56  24.473 -24.930  -0.999
  961    HZ2  LYS  56           1HZ      LYS  56  25.644 -25.006  -2.221
  962    HZ3  LYS  56           2HZ      LYS  56  24.050 -25.473  -2.546
  Start of MODEL   18
    1    H1   GLY   2           1HT      GLY   2 -24.852   3.731 -12.969
    2    H2   GLY   2           2HT      GLY   2 -25.054   4.438 -11.443
    3    H3   GLY   2           3HT      GLY   2 -26.127   3.234 -11.970
    4    HA2  GLY   2           1HA      GLY   2 -24.535   2.377 -10.350
    5    HA3  GLY   2           2HA      GLY   2 -24.410   1.582 -11.914
    6    H    ARG   3           H        ARG   3 -22.814   3.501  -9.554
    7    HA   ARG   3           HA       ARG   3 -20.302   3.192 -10.980
    8    HB2  ARG   3           2HB      ARG   3 -21.305   5.357 -11.777
    9    HB3  ARG   3           1HB      ARG   3 -21.230   5.936 -10.120
   10    HG2  ARG   3           2HG      ARG   3 -18.804   5.716 -10.141
   11    HG3  ARG   3           1HG      ARG   3 -18.869   5.106 -11.797
   12    HD2  ARG   3           2HD      ARG   3 -19.674   7.842 -10.819
   13    HD3  ARG   3           1HD      ARG   3 -18.306   7.443 -11.862
   14    HE   ARG   3           HE       ARG   3 -20.390   6.517 -13.286
   15   HH11  ARG   3          1HH1      ARG   3 -19.711   9.631 -11.816
   16   HH12  ARG   3          2HH1      ARG   3 -20.789  10.499 -12.868
   17   HH21  ARG   3          1HH2      ARG   3 -21.779   7.658 -14.682
   18   HH22  ARG   3          2HH2      ARG   3 -21.933   9.385 -14.527
   19    HA   PRO   4           HA       PRO   4 -19.251   2.704  -6.650
   20    HB2  PRO   4           2HB      PRO   4 -16.540   2.154  -7.508
   21    HB3  PRO   4           1HB      PRO   4 -17.735   1.036  -6.849
   22    HG2  PRO   4           2HG      PRO   4 -16.861   0.957  -9.436
   23    HG3  PRO   4           1HG      PRO   4 -18.454   0.381  -8.916
   24    HD2  PRO   4           2HD      PRO   4 -17.706   2.966 -10.224
   25    HD3  PRO   4           1HD      PRO   4 -19.121   1.926 -10.504
   26    H    TYR   5           H        TYR   5 -19.349   4.846  -5.950
   27    HA   TYR   5           HA       TYR   5 -17.274   6.729  -6.694
   28    HB2  TYR   5           2HB      TYR   5 -19.294   7.103  -4.482
   29    HB3  TYR   5           1HB      TYR   5 -18.468   8.339  -5.420
   30    HD1  TYR   5           1HD      TYR   5 -19.060   8.495  -7.931
   31    HD2  TYR   5           2HD      TYR   5 -21.413   6.389  -5.078
   32    HE1  TYR   5           1HE      TYR   5 -21.000   8.616  -9.443
   33    HE2  TYR   5           2HE      TYR   5 -23.348   6.496  -6.581
   34    HH   TYR   5           HH       TYR   5 -24.141   7.939  -8.447
   35    H    LYS   6           H        LYS   6 -18.012   4.508  -4.176
   36    HA   LYS   6           HA       LYS   6 -16.212   5.683  -2.251
   37    HB2  LYS   6           2HB      LYS   6 -16.822   3.685  -0.889
   38    HB3  LYS   6           1HB      LYS   6 -18.201   4.644  -1.406
   39    HG2  LYS   6           2HG      LYS   6 -18.782   3.038  -3.079
   40    HG3  LYS   6           1HG      LYS   6 -17.286   2.139  -2.806
   41    HD2  LYS   6           2HD      LYS   6 -18.001   1.548  -0.577
   42    HD3  LYS   6           1HD      LYS   6 -19.445   2.547  -0.740
   43    HE2  LYS   6           2HE      LYS   6 -18.832   0.183  -2.502
   44    HE3  LYS   6           1HE      LYS   6 -19.802   0.082  -1.034
   45    HZ1  LYS   6           3HZ      LYS   6 -21.315   0.322  -2.782
   46    HZ2  LYS   6           1HZ      LYS   6 -20.416   1.549  -3.533
   47    HZ3  LYS   6           2HZ      LYS   6 -21.230   1.862  -2.077
   48    H    LEU   7           H        LEU   7 -15.875   3.669  -4.908
   49    HA   LEU   7           HA       LEU   7 -13.508   2.318  -3.848
   50    HB2  LEU   7           2HB      LEU   7 -15.141   1.033  -5.188
   51    HB3  LEU   7           1HB      LEU   7 -14.845   2.098  -6.550
   52    HG   LEU   7           HG       LEU   7 -12.489   1.323  -6.607
   53   HD11  LEU   7          1HD1      LEU   7 -12.255   0.679  -4.269
   54   HD12  LEU   7          2HD1      LEU   7 -11.860  -0.668  -5.337
   55   HD13  LEU   7          3HD1      LEU   7 -13.415  -0.629  -4.503
   56   HD21  LEU   7          3HD2      LEU   7 -14.573  -0.850  -6.773
   57   HD22  LEU   7          1HD2      LEU   7 -12.974  -0.895  -7.517
   58   HD23  LEU   7          2HD2      LEU   7 -14.160   0.299  -8.046
   59    H    LEU   8           H        LEU   8 -14.475   4.935  -5.891
   60    HA   LEU   8           HA       LEU   8 -11.793   5.264  -6.977
   61    HB2  LEU   8           2HB      LEU   8 -14.334   6.817  -7.468
   62    HB3  LEU   8           1HB      LEU   8 -12.798   7.152  -8.245
   63    HG   LEU   8           HG       LEU   8 -14.422   4.623  -8.541
   64   HD11  LEU   8          1HD1      LEU   8 -15.397   6.496  -9.725
   65   HD12  LEU   8          2HD1      LEU   8 -14.671   5.363 -10.865
   66   HD13  LEU   8          3HD1      LEU   8 -13.838   6.865 -10.466
   67   HD21  LEU   8          3HD2      LEU   8 -12.039   4.141  -8.615
   68   HD22  LEU   8          1HD2      LEU   8 -11.802   5.420  -9.805
   69   HD23  LEU   8          2HD2      LEU   8 -12.752   3.993 -10.222
   70    H    ASN   9           H        ASN   9 -13.995   6.743  -4.689
   71    HA   ASN   9           HA       ASN   9 -12.219   8.953  -4.139
   72    HB2  ASN   9           2HB      ASN   9 -14.668   9.209  -3.894
   73    HB3  ASN   9           1HB      ASN   9 -14.664   7.983  -2.632
   74   HD21  ASN   9          1HD2      ASN   9 -15.424   9.272  -1.024
   75   HD22  ASN   9          2HD2      ASN   9 -14.535  10.607  -0.358
   76    H    GLY  10           H        GLY  10 -11.049   9.232  -2.203
   77    HA2  GLY  10           2HA      GLY  10 -10.756   7.014  -0.387
   78    HA3  GLY  10           1HA      GLY  10  -9.405   7.206  -1.495
   79    H    ILE  11           H        ILE  11  -8.935   7.371   1.141
   80    HA   ILE  11           HA       ILE  11  -8.800  10.251   1.738
   81    HB   ILE  11           HB       ILE  11  -8.533   7.952   3.683
   82   HG12  ILE  11          2HG1      ILE  11 -10.803   8.044   2.765
   83   HG13  ILE  11          1HG1      ILE  11 -10.782   8.528   4.456
   84   HG21  ILE  11          1HG2      ILE  11  -8.811  10.918   4.139
   85   HG22  ILE  11          2HG2      ILE  11  -7.377   9.936   4.443
   86   HG23  ILE  11          3HG2      ILE  11  -8.836   9.689   5.404
   87   HD11  ILE  11          3HD1      ILE  11 -10.954  10.372   2.082
   88   HD12  ILE  11          1HD1      ILE  11 -10.871  10.880   3.769
   89   HD13  ILE  11          2HD1      ILE  11 -12.260   9.958   3.195
   90    H    LYS  12           H        LYS  12  -6.860  11.096   2.556
   91    HA   LYS  12           HA       LYS  12  -4.509   9.716   1.483
   92    HB2  LYS  12           2HB      LYS  12  -4.969  11.915   0.557
   93    HB3  LYS  12           1HB      LYS  12  -5.018  12.616   2.167
   94    HG2  LYS  12           2HG      LYS  12  -2.941  13.183   1.141
   95    HG3  LYS  12           1HG      LYS  12  -2.628  12.035   2.443
   96    HD2  LYS  12           2HD      LYS  12  -2.500  10.220   0.790
   97    HD3  LYS  12           1HD      LYS  12  -2.784  11.391  -0.501
   98    HE2  LYS  12           2HE      LYS  12  -0.463  11.437   1.421
   99    HE3  LYS  12           1HE      LYS  12  -0.400  10.836  -0.235
  100    HZ1  LYS  12           3HZ      LYS  12   0.424  13.137   0.043
  101    HZ2  LYS  12           1HZ      LYS  12  -1.140  13.622   0.489
  102    HZ3  LYS  12           2HZ      LYS  12  -0.849  13.009  -1.064
  103    H    LEU  13           H        LEU  13  -3.286   8.689   2.878
  104    HA   LEU  13           HA       LEU  13  -3.136   9.661   5.644
  105    HB2  LEU  13           2HB      LEU  13  -2.373   7.299   6.155
  106    HB3  LEU  13           1HB      LEU  13  -4.057   7.498   5.714
  107    HG   LEU  13           HG       LEU  13  -2.135   6.784   3.548
  108   HD11  LEU  13          1HD1      LEU  13  -3.166   4.826   5.598
  109   HD12  LEU  13          2HD1      LEU  13  -1.482   5.290   5.356
  110   HD13  LEU  13          3HD1      LEU  13  -2.344   4.407   4.095
  111   HD21  LEU  13          3HD2      LEU  13  -4.075   5.522   2.746
  112   HD22  LEU  13          1HD2      LEU  13  -4.493   7.209   3.042
  113   HD23  LEU  13          2HD2      LEU  13  -4.970   5.964   4.200
  114    H    GLY  14           H        GLY  14  -1.046   9.116   6.748
  115    HA2  GLY  14           2HA      GLY  14   1.202   9.348   4.869
  116    HA3  GLY  14           1HA      GLY  14   1.031  10.502   6.180
  117    H    VAL  15           H        VAL  15   2.720   7.951   5.269
  118    HA   VAL  15           HA       VAL  15   2.808   6.647   7.909
  119    HB   VAL  15           HB       VAL  15   4.042   5.637   5.337
  120   HG11  VAL  15          1HG1      VAL  15   4.936   4.627   7.359
  121   HG12  VAL  15          2HG1      VAL  15   3.979   3.460   6.447
  122   HG13  VAL  15          3HG1      VAL  15   3.304   4.216   7.890
  123   HG21  VAL  15          3HG2      VAL  15   2.091   4.177   5.075
  124   HG22  VAL  15          1HG2      VAL  15   1.655   5.882   4.962
  125   HG23  VAL  15          2HG2      VAL  15   1.314   4.982   6.439
  126    H    TYR  16           H        TYR  16   4.993   6.046   8.692
  127    HA   TYR  16           HA       TYR  16   7.164   7.660   7.558
  128    HB2  TYR  16           2HB      TYR  16   6.266   7.500  10.381
  129    HB3  TYR  16           1HB      TYR  16   8.003   7.489  10.099
  130    HD1  TYR  16           1HD      TYR  16   9.111   9.387   9.091
  131    HD2  TYR  16           2HD      TYR  16   4.954   9.503   9.964
  132    HE1  TYR  16           1HE      TYR  16   9.136  11.819   8.826
  133    HE2  TYR  16           2HE      TYR  16   4.964  11.946   9.705
  134    HH   TYR  16           HH       TYR  16   7.735  13.659   8.453
  135    H    ILE  17           H        ILE  17   8.803   6.499   6.936
  136    HA   ILE  17           HA       ILE  17   9.429   3.980   8.286
  137    HB   ILE  17           HB       ILE  17   9.751   2.791   6.174
  138   HG12  ILE  17          2HG1      ILE  17   8.525   5.231   4.868
  139   HG13  ILE  17          1HG1      ILE  17  10.206   4.725   4.723
  140   HG21  ILE  17          1HG2      ILE  17   6.986   3.946   6.498
  141   HG22  ILE  17          2HG2      ILE  17   7.635   2.512   7.294
  142   HG23  ILE  17          3HG2      ILE  17   7.381   2.510   5.549
  143   HD11  ILE  17          3HD1      ILE  17   7.821   3.150   3.776
  144   HD12  ILE  17          1HD1      ILE  17   9.515   2.697   3.587
  145   HD13  ILE  17          2HD1      ILE  17   8.887   4.123   2.759
  146    HA   PRO  18           HA       PRO  18  13.548   5.443   8.103
  147    HB2  PRO  18           2HB      PRO  18  14.916   3.082   7.998
  148    HB3  PRO  18           1HB      PRO  18  14.142   3.702   9.460
  149    HG2  PRO  18           2HG      PRO  18  13.150   1.655   7.514
  150    HG3  PRO  18           1HG      PRO  18  13.084   1.638   9.286
  151    HD2  PRO  18           2HD      PRO  18  10.947   2.298   7.790
  152    HD3  PRO  18           1HD      PRO  18  11.268   3.062   9.362
  153    H    GLN  19           H        GLN  19  15.500   5.519   6.857
  154    HA   GLN  19           HA       GLN  19  15.052   5.586   4.058
  155    HB2  GLN  19           2HB      GLN  19  17.397   6.240   3.882
  156    HB3  GLN  19           1HB      GLN  19  16.601   7.125   5.177
  157    HG2  GLN  19           2HG      GLN  19  18.147   6.446   6.603
  158    HG3  GLN  19           1HG      GLN  19  17.715   4.763   6.283
  159   HE21  GLN  19          1HE2      GLN  19  18.465   4.867   3.494
  160   HE22  GLN  19          2HE2      GLN  19  20.197   4.879   3.442
  161    H    GLU  20           H        GLU  20  16.181   3.163   6.207
  162    HA   GLU  20           HA       GLU  20  17.488   1.353   4.575
  163    HB2  GLU  20           2HB      GLU  20  15.354   0.782   6.650
  164    HB3  GLU  20           1HB      GLU  20  16.472  -0.407   6.000
  165    HG2  GLU  20           2HG      GLU  20  17.368   2.060   7.457
  166    HG3  GLU  20           1HG      GLU  20  17.041   0.523   8.257
  167    H    TRP  21           H        TRP  21  14.077   2.132   4.802
  168    HA   TRP  21           HA       TRP  21  13.237   0.069   2.973
  169    HB2  TRP  21           2HB      TRP  21  11.830   2.453   4.179
  170    HB3  TRP  21           1HB      TRP  21  11.056   1.338   3.058
  171    HD1  TRP  21           HD       TRP  21  13.303   0.169   5.993
  172    HE1  TRP  21           1HE      TRP  21  11.815  -1.184   7.616
  173    HE3  TRP  21           3HE      TRP  21   8.804   0.931   3.734
  174    HZ2  TRP  21           2HZ      TRP  21   9.058  -1.810   7.882
  175    HZ3  TRP  21           3HZ      TRP  21   6.789  -0.055   4.727
  176    HH2  TRP  21           HH       TRP  21   6.904  -1.388   6.748
  177    H    HIS  22           H        HIS  22  13.765   3.562   2.923
  178    HA   HIS  22           HA       HIS  22  12.774   3.994   0.334
  179    HB2  HIS  22           2HB      HIS  22  14.639   5.508   2.111
  180    HB3  HIS  22           1HB      HIS  22  14.470   5.996   0.422
  181    HD1  HIS  22           1HD      HIS  22  12.937   7.946   0.362
  182    HD2  HIS  22           2HD      HIS  22  11.651   5.025   3.032
  183    HE1  HIS  22           1HE      HIS  22  10.714   8.745   1.220
  184    HE2  HIS  22           2HE      HIS  22   9.899   6.904   2.734
  185    H    ASP  23           H        ASP  23  16.172   3.533   1.366
  186    HA   ASP  23           HA       ASP  23  17.206   3.574  -1.245
  187    HB2  ASP  23           2HB      ASP  23  18.593   3.815   0.801
  188    HB3  ASP  23           1HB      ASP  23  18.350   2.102   1.134
  189    H    ARG  24           H        ARG  24  16.464   0.751   0.830
  190    HA   ARG  24           HA       ARG  24  17.223  -1.037  -1.295
  191    HB2  ARG  24           2HB      ARG  24  16.169  -1.485   1.488
  192    HB3  ARG  24           1HB      ARG  24  16.377  -2.813   0.356
  193    HG2  ARG  24           2HG      ARG  24  18.309  -2.742   1.723
  194    HG3  ARG  24           1HG      ARG  24  18.770  -2.141   0.130
  195    HD2  ARG  24           2HD      ARG  24  18.370   0.185   1.062
  196    HD3  ARG  24           1HD      ARG  24  18.306  -0.571   2.650
  197    HE   ARG  24           HE       ARG  24  20.635  -0.362   0.888
  198   HH11  ARG  24          1HH1      ARG  24  19.334  -1.424   3.989
  199   HH12  ARG  24          2HH1      ARG  24  20.901  -1.505   4.735
  200   HH21  ARG  24          1HH2      ARG  24  22.656  -0.512   1.871
  201   HH22  ARG  24          2HH2      ARG  24  22.789  -1.008   3.535
  202    H    LEU  25           H        LEU  25  14.133  -0.440   0.407
  203    HA   LEU  25           HA       LEU  25  12.762  -2.327  -1.190
  204    HB2  LEU  25           2HB      LEU  25  11.633  -0.058   0.441
  205    HB3  LEU  25           1HB      LEU  25  10.697  -1.366  -0.258
  206    HG   LEU  25           HG       LEU  25  12.716  -1.537   1.968
  207   HD11  LEU  25          1HD1      LEU  25  10.835  -2.432   3.230
  208   HD12  LEU  25          2HD1      LEU  25   9.792  -2.240   1.821
  209   HD13  LEU  25          3HD1      LEU  25  10.482  -0.820   2.609
  210   HD21  LEU  25          3HD2      LEU  25  12.338  -3.949   1.986
  211   HD22  LEU  25          1HD2      LEU  25  13.065  -3.430   0.464
  212   HD23  LEU  25          2HD2      LEU  25  11.344  -3.810   0.535
  213    H    MET  26           H        MET  26  13.111   1.225  -1.449
  214    HA   MET  26           HA       MET  26  11.265   1.362  -3.621
  215    HB2  MET  26           2HB      MET  26  13.369   3.352  -2.773
  216    HB3  MET  26           1HB      MET  26  12.129   3.654  -3.983
  217    HG2  MET  26           2HG      MET  26  10.404   3.259  -2.263
  218    HG3  MET  26           1HG      MET  26  11.681   3.055  -1.070
  219    HE1  MET  26           3HE      MET  26  10.958   7.013  -3.328
  220    HE2  MET  26           1HE      MET  26   9.969   5.574  -3.570
  221    HE3  MET  26           2HE      MET  26  11.662   5.570  -4.064
  222    H    GLU  27           H        GLU  27  14.706   0.732  -3.405
  223    HA   GLU  27           HA       GLU  27  15.261   0.959  -6.165
  224    HB2  GLU  27           2HB      GLU  27  17.049   0.731  -4.511
  225    HB3  GLU  27           1HB      GLU  27  16.483  -0.882  -4.096
  226    HG2  GLU  27           2HG      GLU  27  17.008  -1.636  -6.367
  227    HG3  GLU  27           1HG      GLU  27  17.607  -0.022  -6.750
  228    H    ILE  28           H        ILE  28  14.119  -1.725  -4.173
  229    HA   ILE  28           HA       ILE  28  13.819  -3.606  -6.269
  230    HB   ILE  28           HB       ILE  28  12.290  -3.393  -3.663
  231   HG12  ILE  28          2HG1      ILE  28  14.710  -5.073  -4.371
  232   HG13  ILE  28          1HG1      ILE  28  14.752  -3.599  -3.408
  233   HG21  ILE  28          1HG2      ILE  28  11.794  -5.771  -3.979
  234   HG22  ILE  28          2HG2      ILE  28  12.581  -5.724  -5.557
  235   HG23  ILE  28          3HG2      ILE  28  11.115  -4.784  -5.275
  236   HD11  ILE  28          3HD1      ILE  28  14.838  -5.591  -2.015
  237   HD12  ILE  28          1HD1      ILE  28  13.298  -6.132  -2.680
  238   HD13  ILE  28          2HD1      ILE  28  13.371  -4.660  -1.709
  239    H    ALA  29           H        ALA  29  11.804  -1.067  -4.976
  240    HA   ALA  29           HA       ALA  29   9.413  -1.658  -6.319
  241    HB1  ALA  29           1HB      ALA  29   8.779   0.647  -5.847
  242    HB2  ALA  29           2HB      ALA  29  10.449   1.026  -5.422
  243    HB3  ALA  29           3HB      ALA  29   9.524  -0.109  -4.438
  244    H    LYS  30           H        LYS  30  12.364  -0.144  -7.409
  245    HA   LYS  30           HA       LYS  30  11.164   0.929  -9.795
  246    HB2  LYS  30           2HB      LYS  30  14.064   0.442  -9.095
  247    HB3  LYS  30           1HB      LYS  30  13.514   1.276 -10.546
  248    HG2  LYS  30           2HG      LYS  30  12.423   2.967  -9.102
  249    HG3  LYS  30           1HG      LYS  30  13.127   2.167  -7.697
  250    HD2  LYS  30           2HD      LYS  30  15.356   2.604  -8.517
  251    HD3  LYS  30           1HD      LYS  30  14.706   3.293 -10.004
  252    HE2  LYS  30           2HE      LYS  30  14.318   4.388  -7.219
  253    HE3  LYS  30           1HE      LYS  30  15.402   5.041  -8.446
  254    HZ1  LYS  30           3HZ      LYS  30  13.419   5.422  -9.857
  255    HZ2  LYS  30           1HZ      LYS  30  13.400   6.320  -8.418
  256    HZ3  LYS  30           2HZ      LYS  30  12.432   4.938  -8.565
  257    H    GLU  31           H        GLU  31  12.944  -1.927  -8.876
  258    HA   GLU  31           HA       GLU  31  13.088  -3.168 -11.385
  259    HB2  GLU  31           2HB      GLU  31  14.396  -4.047  -9.609
  260    HB3  GLU  31           1HB      GLU  31  12.999  -4.216  -8.561
  261    HG2  GLU  31           2HG      GLU  31  13.803  -6.369  -9.344
  262    HG3  GLU  31           1HG      GLU  31  12.169  -6.042  -9.916
  263    H    LYS  32           H        LYS  32  10.540  -3.037  -8.959
  264    HA   LYS  32           HA       LYS  32   8.878  -4.880 -10.484
  265    HB2  LYS  32           2HB      LYS  32   8.891  -3.849  -7.717
  266    HB3  LYS  32           1HB      LYS  32   7.304  -4.156  -8.406
  267    HG2  LYS  32           2HG      LYS  32   8.170  -6.070  -7.138
  268    HG3  LYS  32           1HG      LYS  32   7.887  -6.459  -8.833
  269    HD2  LYS  32           2HD      LYS  32  10.295  -6.163  -9.278
  270    HD3  LYS  32           1HD      LYS  32  10.551  -5.837  -7.562
  271    HE2  LYS  32           2HE      LYS  32   9.852  -8.049  -6.969
  272    HE3  LYS  32           1HE      LYS  32   9.332  -8.384  -8.620
  273    HZ1  LYS  32           3HZ      LYS  32  11.621  -8.256  -9.343
  274    HZ2  LYS  32           1HZ      LYS  32  11.471  -9.407  -8.108
  275    HZ3  LYS  32           2HZ      LYS  32  12.141  -7.884  -7.773
  276    H    ASN  33           H        ASN  33   9.457  -1.640 -10.514
  277    HA   ASN  33           HA       ASN  33   8.493   0.126 -11.555
  278    HB2  ASN  33           2HB      ASN  33   6.745  -2.046 -12.710
  279    HB3  ASN  33           1HB      ASN  33   6.659  -0.361 -13.214
  280   HD21  ASN  33          1HD2      ASN  33   7.407  -2.769 -14.715
  281   HD22  ASN  33          2HD2      ASN  33   9.002  -2.470 -15.327
  282    H    LEU  34           H        LEU  34   7.778  -0.233  -8.961
  283    HA   LEU  34           HA       LEU  34   5.054   0.877  -8.895
  284    HB2  LEU  34           2HB      LEU  34   6.240  -1.139  -6.982
  285    HB3  LEU  34           1HB      LEU  34   4.728  -0.287  -6.714
  286    HG   LEU  34           HG       LEU  34   5.222  -2.120  -9.060
  287   HD11  LEU  34          1HD1      LEU  34   3.866  -3.756  -7.848
  288   HD12  LEU  34          2HD1      LEU  34   3.829  -2.686  -6.446
  289   HD13  LEU  34          3HD1      LEU  34   5.358  -3.385  -6.985
  290   HD21  LEU  34          3HD2      LEU  34   3.482  -0.455  -9.422
  291   HD22  LEU  34          1HD2      LEU  34   2.703  -0.923  -7.912
  292   HD23  LEU  34          2HD2      LEU  34   2.781  -2.065  -9.253
  293    H    THR  35           H        THR  35   4.688   2.166  -6.866
  294    HA   THR  35           HA       THR  35   7.200   3.410  -5.965
  295    HB   THR  35           HB       THR  35   4.652   4.711  -5.240
  296    HG1  THR  35           1HG      THR  35   3.912   4.380  -7.226
  297   HG21  THR  35          3HG2      THR  35   7.180   5.712  -6.559
  298   HG22  THR  35          1HG2      THR  35   6.839   5.742  -4.828
  299   HG23  THR  35          2HG2      THR  35   5.873   6.717  -5.936
  300    H    LEU  36           H        LEU  36   7.232   4.064  -3.619
  301    HA   LEU  36           HA       LEU  36   6.772   1.872  -1.967
  302    HB2  LEU  36           2HB      LEU  36   7.340   3.275  -0.099
  303    HB3  LEU  36           1HB      LEU  36   8.397   3.625  -1.448
  304    HG   LEU  36           HG       LEU  36   6.036   5.343  -0.669
  305   HD11  LEU  36          1HD1      LEU  36   8.965   5.672  -0.029
  306   HD12  LEU  36          2HD1      LEU  36   7.682   5.300   1.123
  307   HD13  LEU  36          3HD1      LEU  36   7.702   6.859   0.298
  308   HD21  LEU  36          3HD2      LEU  36   7.198   7.044  -2.041
  309   HD22  LEU  36          1HD2      LEU  36   6.669   5.648  -2.983
  310   HD23  LEU  36          2HD2      LEU  36   8.364   5.815  -2.530
  311    H    SER  37           H        SER  37   4.790   4.786  -2.352
  312    HA   SER  37           HA       SER  37   2.790   4.167  -0.523
  313    HB2  SER  37           2HB      SER  37   2.376   5.507  -3.204
  314    HB3  SER  37           1HB      SER  37   1.416   5.721  -1.739
  315    HG   SER  37           HG       SER  37   2.735   7.278  -1.297
  316    H    ASP  38           H        ASP  38   3.129   3.199  -3.924
  317    HA   ASP  38           HA       ASP  38   0.674   1.816  -4.120
  318    HB2  ASP  38           2HB      ASP  38   3.249   1.472  -5.672
  319    HB3  ASP  38           1HB      ASP  38   1.739   0.666  -6.083
  320    H    VAL  39           H        VAL  39   3.975   0.712  -3.427
  321    HA   VAL  39           HA       VAL  39   3.355  -2.031  -3.215
  322    HB   VAL  39           HB       VAL  39   5.604  -0.512  -1.878
  323   HG11  VAL  39          1HG1      VAL  39   5.230  -2.696  -0.848
  324   HG12  VAL  39          2HG1      VAL  39   6.744  -2.666  -1.751
  325   HG13  VAL  39          3HG1      VAL  39   5.328  -3.465  -2.433
  326   HG21  VAL  39          3HG2      VAL  39   6.963  -1.293  -3.776
  327   HG22  VAL  39          1HG2      VAL  39   5.652  -0.231  -4.286
  328   HG23  VAL  39          2HG2      VAL  39   5.512  -1.973  -4.515
  329    H    CYS  40           H        CYS  40   3.347   0.587  -0.861
  330    HA   CYS  40           HA       CYS  40   2.936  -1.030   1.436
  331    HB2  CYS  40           2HB      CYS  40   3.607   1.535   1.090
  332    HB3  CYS  40           1HB      CYS  40   1.873   1.774   1.308
  333    HG   CYS  40           HG       CYS  40   3.164  -0.194   3.648
  334    H    ARG  41           H        ARG  41   0.717   0.725  -0.681
  335    HA   ARG  41           HA       ARG  41  -1.715  -0.040   0.452
  336    HB2  ARG  41           2HB      ARG  41  -1.564   1.728  -1.173
  337    HB3  ARG  41           1HB      ARG  41  -0.919   0.636  -2.381
  338    HG2  ARG  41           2HG      ARG  41  -3.648   0.137  -1.295
  339    HG3  ARG  41           1HG      ARG  41  -3.404   1.431  -2.467
  340    HD2  ARG  41           2HD      ARG  41  -2.197  -0.329  -3.879
  341    HD3  ARG  41           1HD      ARG  41  -2.927  -1.517  -2.798
  342    HE   ARG  41           HE       ARG  41  -4.615   0.426  -4.228
  343   HH11  ARG  41          1HH1      ARG  41  -3.691  -2.881  -3.558
  344   HH12  ARG  41          2HH1      ARG  41  -4.979  -3.571  -4.503
  345   HH21  ARG  41          1HH2      ARG  41  -6.308  -0.474  -5.466
  346   HH22  ARG  41          2HH2      ARG  41  -6.456  -2.194  -5.600
  347    H    LEU  42           H        LEU  42   0.188  -1.612  -2.123
  348    HA   LEU  42           HA       LEU  42  -1.604  -3.785  -2.489
  349    HB2  LEU  42           2HB      LEU  42   1.371  -3.696  -3.023
  350    HB3  LEU  42           1HB      LEU  42   0.234  -4.852  -3.691
  351    HG   LEU  42           HG       LEU  42   0.203  -1.886  -4.246
  352   HD11  LEU  42          1HD1      LEU  42   1.159  -4.184  -5.954
  353   HD12  LEU  42          2HD1      LEU  42   2.177  -2.964  -5.190
  354   HD13  LEU  42          3HD1      LEU  42   1.043  -2.499  -6.458
  355   HD21  LEU  42          3HD2      LEU  42  -2.003  -2.911  -4.419
  356   HD22  LEU  42          1HD2      LEU  42  -1.354  -4.163  -5.479
  357   HD23  LEU  42          2HD2      LEU  42  -1.387  -2.483  -6.014
  358    H    ALA  43           H        ALA  43   0.826  -3.037  -0.198
  359    HA   ALA  43           HA       ALA  43   1.382  -5.663   0.682
  360    HB1  ALA  43           1HB      ALA  43   2.509  -4.607   2.547
  361    HB2  ALA  43           2HB      ALA  43   1.780  -3.057   2.126
  362    HB3  ALA  43           3HB      ALA  43   2.935  -3.815   1.030
  363    H    ILE  44           H        ILE  44  -0.867  -3.135   1.766
  364    HA   ILE  44           HA       ILE  44  -1.672  -4.518   4.101
  365    HB   ILE  44           HB       ILE  44  -3.892  -3.011   3.407
  366   HG12  ILE  44          2HG1      ILE  44  -1.378  -1.533   2.594
  367   HG13  ILE  44          1HG1      ILE  44  -2.699  -2.004   1.526
  368   HG21  ILE  44          1HG2      ILE  44  -1.503  -2.370   5.114
  369   HG22  ILE  44          2HG2      ILE  44  -3.013  -3.134   5.608
  370   HG23  ILE  44          3HG2      ILE  44  -2.999  -1.439   5.124
  371   HD11  ILE  44          3HD1      ILE  44  -2.873  -0.025   3.791
  372   HD12  ILE  44          1HD1      ILE  44  -4.213  -0.526   2.760
  373   HD13  ILE  44          2HD1      ILE  44  -2.848   0.348   2.066
  374    H    LYS  45           H        LYS  45  -2.980  -4.406   0.796
  375    HA   LYS  45           HA       LYS  45  -5.190  -6.055   1.375
  376    HB2  LYS  45           2HB      LYS  45  -4.766  -4.726  -0.778
  377    HB3  LYS  45           1HB      LYS  45  -3.794  -6.104  -1.289
  378    HG2  LYS  45           2HG      LYS  45  -5.770  -7.563  -0.912
  379    HG3  LYS  45           1HG      LYS  45  -6.718  -6.117  -0.574
  380    HD2  LYS  45           2HD      LYS  45  -6.145  -5.282  -2.839
  381    HD3  LYS  45           1HD      LYS  45  -5.349  -6.825  -3.163
  382    HE2  LYS  45           2HE      LYS  45  -8.264  -6.339  -2.579
  383    HE3  LYS  45           1HE      LYS  45  -7.554  -6.941  -4.076
  384    HZ1  LYS  45           3HZ      LYS  45  -6.796  -8.912  -2.780
  385    HZ2  LYS  45           1HZ      LYS  45  -8.483  -8.775  -2.900
  386    HZ3  LYS  45           2HZ      LYS  45  -7.698  -8.347  -1.463
  387    H    GLU  46           H        GLU  46  -1.859  -6.793   0.544
  388    HA   GLU  46           HA       GLU  46  -2.195  -9.601   0.207
  389    HB2  GLU  46           2HB      GLU  46  -0.265  -8.233  -0.661
  390    HB3  GLU  46           1HB      GLU  46   0.302  -8.083   0.995
  391    HG2  GLU  46           2HG      GLU  46   1.581  -9.807   0.156
  392    HG3  GLU  46           1HG      GLU  46   0.290 -10.651   1.009
  393    H    TYR  47           H        TYR  47  -1.541  -7.446   2.853
  394    HA   TYR  47           HA       TYR  47  -0.743  -9.303   4.792
  395    HB2  TYR  47           2HB      TYR  47  -0.402  -6.877   5.007
  396    HB3  TYR  47           1HB      TYR  47  -2.141  -6.637   5.109
  397    HD1  TYR  47           1HD      TYR  47   0.818  -7.947   6.872
  398    HD2  TYR  47           2HD      TYR  47  -3.312  -6.969   7.170
  399    HE1  TYR  47           1HE      TYR  47   0.953  -8.140   9.319
  400    HE2  TYR  47           2HE      TYR  47  -3.190  -7.163   9.618
  401    HH   TYR  47           HH       TYR  47  -0.232  -7.350  11.302
  402    H    LEU  48           H        LEU  48  -3.894  -7.929   3.964
  403    HA   LEU  48           HA       LEU  48  -5.381  -9.330   5.911
  404    HB2  LEU  48           2HB      LEU  48  -6.291  -8.326   3.212
  405    HB3  LEU  48           1HB      LEU  48  -7.338  -8.781   4.543
  406    HG   LEU  48           HG       LEU  48  -5.413  -6.453   4.530
  407   HD11  LEU  48          1HD1      LEU  48  -7.331  -6.084   3.091
  408   HD12  LEU  48          2HD1      LEU  48  -7.452  -5.094   4.546
  409   HD13  LEU  48          3HD1      LEU  48  -8.422  -6.560   4.393
  410   HD21  LEU  48          3HD2      LEU  48  -7.405  -7.343   6.616
  411   HD22  LEU  48          1HD2      LEU  48  -6.461  -5.854   6.660
  412   HD23  LEU  48          2HD2      LEU  48  -5.649  -7.416   6.758
  413    H    ASP  49           H        ASP  49  -4.695  -9.990   2.503
  414    HA   ASP  49           HA       ASP  49  -6.164 -12.357   2.268
  415    HB2  ASP  49           2HB      ASP  49  -4.404 -10.839   0.660
  416    HB3  ASP  49           1HB      ASP  49  -3.814 -12.499   0.637
  417    H    ASN  50           H        ASN  50  -2.889 -11.798   3.431
  418    HA   ASN  50           HA       ASN  50  -2.206 -14.589   3.502
  419    HB2  ASN  50           2HB      ASN  50  -0.474 -12.860   3.223
  420    HB3  ASN  50           1HB      ASN  50  -0.848 -12.223   4.822
  421   HD21  ASN  50          1HD2      ASN  50   1.186 -12.579   5.634
  422   HD22  ASN  50          2HD2      ASN  50   1.815 -14.157   5.957
  423    H    HIS  51           H        HIS  51  -3.539 -12.264   5.759
  424    HA   HIS  51           HA       HIS  51  -3.239 -14.114   7.991
  425    HB2  HIS  51           2HB      HIS  51  -4.183 -11.273   7.757
  426    HB3  HIS  51           1HB      HIS  51  -4.529 -12.209   9.208
  427    HD1  HIS  51           1HD      HIS  51  -2.895 -11.657  10.974
  428    HD2  HIS  51           2HD      HIS  51  -1.151 -11.649   7.194
  429    HE1  HIS  51           1HE      HIS  51  -0.459 -11.126  11.345
  430    HE2  HIS  51           2HE      HIS  51   0.612 -11.321   9.063
  431    H    ASP  52           H        ASP  52  -5.407 -13.652   5.522
  432    HA   ASP  52           HA       ASP  52  -7.659 -14.705   7.063
  433    HB2  ASP  52           2HB      ASP  52  -8.095 -12.909   5.399
  434    HB3  ASP  52           1HB      ASP  52  -7.520 -13.981   4.127
  435    H    LYS  53           H        LYS  53  -5.671 -15.496   4.233
  436    HA   LYS  53           HA       LYS  53  -6.730 -18.092   3.886
  437    HB2  LYS  53           2HB      LYS  53  -5.416 -16.674   2.205
  438    HB3  LYS  53           1HB      LYS  53  -3.970 -17.210   3.047
  439    HG2  LYS  53           2HG      LYS  53  -4.380 -18.551   1.063
  440    HG3  LYS  53           1HG      LYS  53  -4.507 -19.529   2.524
  441    HD2  LYS  53           2HD      LYS  53  -6.282 -20.025   0.883
  442    HD3  LYS  53           1HD      LYS  53  -6.924 -19.446   2.418
  443    HE2  LYS  53           2HE      LYS  53  -7.068 -17.163   1.398
  444    HE3  LYS  53           1HE      LYS  53  -6.617 -17.887  -0.146
  445    HZ1  LYS  53           3HZ      LYS  53  -8.586 -19.354   0.097
  446    HZ2  LYS  53           1HZ      LYS  53  -8.972 -17.710  -0.066
  447    HZ3  LYS  53           2HZ      LYS  53  -9.047 -18.448   1.459
  448    H    GLN  54           H        GLN  54  -3.704 -16.941   5.371
  449    HA   GLN  54           HA       GLN  54  -2.549 -17.649   7.189
  450    HB2  GLN  54           2HB      GLN  54  -4.957 -19.402   7.680
  451    HB3  GLN  54           1HB      GLN  54  -3.664 -19.103   8.831
  452    HG2  GLN  54           2HG      GLN  54  -4.273 -16.828   9.054
  453    HG3  GLN  54           1HG      GLN  54  -5.390 -16.927   7.691
  454   HE21  GLN  54          1HE2      GLN  54  -7.365 -17.952   7.954
  455   HE22  GLN  54          2HE2      GLN  54  -8.012 -18.338   9.513
  456    H    LYS  55           H        LYS  55  -0.742 -18.754   6.661
  457    HA   LYS  55           HA       LYS  55  -0.924 -21.545   5.867
  458    HB2  LYS  55           2HB      LYS  55   1.474 -21.533   5.751
  459    HB3  LYS  55           1HB      LYS  55   0.911 -20.032   5.034
  460    HG2  LYS  55           2HG      LYS  55   1.503 -18.804   7.010
  461    HG3  LYS  55           1HG      LYS  55   1.917 -20.296   7.858
  462    HD2  LYS  55           2HD      LYS  55   3.673 -20.697   6.130
  463    HD3  LYS  55           1HD      LYS  55   3.322 -19.096   5.473
  464    HE2  LYS  55           2HE      LYS  55   4.289 -19.724   8.260
  465    HE3  LYS  55           1HE      LYS  55   5.237 -18.997   6.964
  466    HZ1  LYS  55           3HZ      LYS  55   4.486 -17.299   8.468
  467    HZ2  LYS  55           1HZ      LYS  55   2.874 -17.799   8.311
  468    HZ3  LYS  55           2HZ      LYS  55   3.680 -17.111   6.988
  469    H    LYS  56           H        LYS  56  -0.334 -19.586   8.640
  470    HA   LYS  56           HA       LYS  56  -0.745 -21.824  10.421
  471    HB2  LYS  56           2HB      LYS  56   1.671 -21.859  10.226
  472    HB3  LYS  56           1HB      LYS  56   1.756 -20.121  10.482
  473    HG2  LYS  56           2HG      LYS  56   0.765 -20.514  12.751
  474    HG3  LYS  56           1HG      LYS  56   1.005 -22.239  12.470
  475    HD2  LYS  56           2HD      LYS  56   3.369 -21.954  12.307
  476    HD3  LYS  56           1HD      LYS  56   3.210 -20.194  12.310
  477    HE2  LYS  56           2HE      LYS  56   2.526 -22.062  14.578
  478    HE3  LYS  56           1HE      LYS  56   3.929 -20.997  14.490
  479    HZ1  LYS  56           3HZ      LYS  56   2.130 -20.077  15.849
  480    HZ2  LYS  56           1HZ      LYS  56   1.098 -20.084  14.503
  481    HZ3  LYS  56           2HZ      LYS  56   2.475 -19.092  14.513
  482    H1   GLY   2           1HT      GLY   2  27.494   2.022  19.260
  483    H2   GLY   2           2HT      GLY   2  28.549   3.296  18.889
  484    H3   GLY   2           3HT      GLY   2  28.884   1.728  18.335
  485    HA2  GLY   2           1HA      GLY   2  28.024   3.104  16.552
  486    HA3  GLY   2           2HA      GLY   2  26.954   1.758  16.919
  487    H    ARG   3           H        ARG   3  25.994   3.867  15.557
  488    HA   ARG   3           HA       ARG   3  23.766   4.693  17.094
  489    HB2  ARG   3           2HB      ARG   3  25.386   6.302  18.040
  490    HB3  ARG   3           1HB      ARG   3  25.784   6.857  16.420
  491    HG2  ARG   3           2HG      ARG   3  23.533   7.705  16.123
  492    HG3  ARG   3           1HG      ARG   3  23.067   7.072  17.701
  493    HD2  ARG   3           2HD      ARG   3  25.235   9.121  17.274
  494    HD3  ARG   3           1HD      ARG   3  23.562   9.519  17.671
  495    HE   ARG   3           HE       ARG   3  24.689   7.671  19.539
  496   HH11  ARG   3          1HH1      ARG   3  24.611  11.079  18.671
  497   HH12  ARG   3          2HH1      ARG   3  24.934  11.619  20.289
  498   HH21  ARG   3          1HH2      ARG   3  25.111   8.395  21.667
  499   HH22  ARG   3          2HH2      ARG   3  25.230  10.103  21.992
  500    HA   PRO   4           HA       PRO   4  23.102   4.510  12.681
  501    HB2  PRO   4           2HB      PRO   4  20.584   3.590  12.753
  502    HB3  PRO   4           1HB      PRO   4  21.965   2.565  13.157
  503    HG2  PRO   4           2HG      PRO   4  19.977   3.862  14.949
  504    HG3  PRO   4           1HG      PRO   4  20.818   2.314  15.134
  505    HD2  PRO   4           2HD      PRO   4  21.491   4.745  16.369
  506    HD3  PRO   4           1HD      PRO   4  22.501   3.289  16.299
  507    H    TYR   5           H        TYR   5  23.060   6.554  11.911
  508    HA   TYR   5           HA       TYR   5  20.892   8.375  12.530
  509    HB2  TYR   5           2HB      TYR   5  23.121   8.564  10.479
  510    HB3  TYR   5           1HB      TYR   5  21.986   9.852  10.861
  511    HD1  TYR   5           2HD      TYR   5  24.632   7.719  12.381
  512    HD2  TYR   5           1HD      TYR   5  22.466  11.375  12.570
  513    HE1  TYR   5           2HE      TYR   5  26.145   8.515  14.142
  514    HE2  TYR   5           1HE      TYR   5  23.977  12.181  14.336
  515    HH   TYR   5           HH       TYR   5  25.491  11.311  16.008
  516    H    LYS   6           H        LYS   6  21.386   5.760  10.586
  517    HA   LYS   6           HA       LYS   6  19.566   6.512   8.468
  518    HB2  LYS   6           2HB      LYS   6  19.884   4.081   7.819
  519    HB3  LYS   6           1HB      LYS   6  21.330   5.080   7.796
  520    HG2  LYS   6           2HG      LYS   6  22.154   4.113   9.783
  521    HG3  LYS   6           1HG      LYS   6  20.601   3.354  10.146
  522    HD2  LYS   6           2HD      LYS   6  20.838   1.888   8.236
  523    HD3  LYS   6           1HD      LYS   6  22.335   2.690   7.768
  524    HE2  LYS   6           2HE      LYS   6  22.030   1.371  10.445
  525    HE3  LYS   6           1HE      LYS   6  22.489   0.453   9.014
  526    HZ1  LYS   6           3HZ      LYS   6  24.330   2.127   8.741
  527    HZ2  LYS   6           1HZ      LYS   6  24.477   1.068  10.060
  528    HZ3  LYS   6           2HZ      LYS   6  23.972   2.665  10.311
  529    H    LEU   7           H        LEU   7  19.537   4.748  11.486
  530    HA   LEU   7           HA       LEU   7  16.827   3.774  10.989
  531    HB2  LEU   7           2HB      LEU   7  18.591   2.268  11.938
  532    HB3  LEU   7           1HB      LEU   7  18.602   3.270  13.377
  533    HG   LEU   7           HG       LEU   7  16.243   2.697  13.789
  534   HD11  LEU   7          1HD1      LEU   7  15.202   0.885  12.506
  535   HD12  LEU   7          2HD1      LEU   7  16.576   0.888  11.400
  536   HD13  LEU   7          3HD1      LEU   7  15.526   2.301  11.507
  537   HD21  LEU   7          3HD2      LEU   7  18.050   0.312  13.424
  538   HD22  LEU   7          1HD2      LEU   7  16.611   0.375  14.442
  539   HD23  LEU   7          2HD2      LEU   7  18.008   1.380  14.828
  540    H    LEU   8           H        LEU   8  18.581   6.156  12.782
  541    HA   LEU   8           HA       LEU   8  16.233   6.972  14.295
  542    HB2  LEU   8           2HB      LEU   8  19.002   8.163  14.058
  543    HB3  LEU   8           1HB      LEU   8  17.729   8.838  15.056
  544    HG   LEU   8           HG       LEU   8  19.002   6.119  15.424
  545   HD11  LEU   8          1HD1      LEU   8  20.491   7.968  15.991
  546   HD12  LEU   8          2HD1      LEU   8  19.970   7.098  17.434
  547   HD13  LEU   8          3HD1      LEU   8  19.248   8.658  17.035
  548   HD21  LEU   8          3HD2      LEU   8  16.937   7.578  17.075
  549   HD22  LEU   8          1HD2      LEU   8  17.722   6.060  17.513
  550   HD23  LEU   8          2HD2      LEU   8  16.661   6.131  16.107
  551    H    ASN   9           H        ASN   9  15.670   6.957  11.653
  552    HA   ASN   9           HA       ASN   9  15.316   9.742  10.947
  553    HB2  ASN   9           2HB      ASN   9  17.602   8.835  10.046
  554    HB3  ASN   9           1HB      ASN   9  16.605   7.954   8.896
  555   HD21  ASN   9          1HD2      ASN   9  18.561   9.996   8.401
  556   HD22  ASN   9          2HD2      ASN   9  17.753  11.291   7.583
  557    H    GLY  10           H        GLY  10  13.769   9.950   9.198
  558    HA2  GLY  10           2HA      GLY  10  12.404   7.612   8.235
  559    HA3  GLY  10           1HA      GLY  10  11.505   8.479   9.477
  560    H    ILE  11           H        ILE  11  11.043   8.054   6.561
  561    HA   ILE  11           HA       ILE  11  11.036  10.868   5.662
  562    HB   ILE  11           HB       ILE  11  10.802   8.483   3.834
  563   HG12  ILE  11          2HG1      ILE  11  12.924   8.255   5.061
  564   HG13  ILE  11          1HG1      ILE  11  13.195   8.636   3.363
  565   HG21  ILE  11          1HG2      ILE  11  11.588  10.065   2.136
  566   HG22  ILE  11          2HG2      ILE  11  11.648  11.334   3.359
  567   HG23  ILE  11          3HG2      ILE  11  10.102  10.612   2.911
  568   HD11  ILE  11          3HD1      ILE  11  13.351  10.576   5.655
  569   HD12  ILE  11          1HD1      ILE  11  13.597  10.970   3.954
  570   HD13  ILE  11          2HD1      ILE  11  14.714   9.878   4.775
  571    H    LYS  12           H        LYS  12   9.156  11.528   4.391
  572    HA   LYS  12           HA       LYS  12   6.729  10.246   5.422
  573    HB2  LYS  12           2HB      LYS  12   6.921  12.599   5.938
  574    HB3  LYS  12           1HB      LYS  12   7.227  12.992   4.255
  575    HG2  LYS  12           2HG      LYS  12   4.961  13.583   4.931
  576    HG3  LYS  12           1HG      LYS  12   4.965  12.353   3.668
  577    HD2  LYS  12           2HD      LYS  12   4.455  10.631   5.243
  578    HD3  LYS  12           1HD      LYS  12   4.698  11.729   6.603
  579    HE2  LYS  12           2HE      LYS  12   2.594  12.150   4.494
  580    HE3  LYS  12           1HE      LYS  12   2.299  11.259   5.987
  581    HZ1  LYS  12           3HZ      LYS  12   3.372  14.014   6.013
  582    HZ2  LYS  12           1HZ      LYS  12   2.626  13.160   7.273
  583    HZ3  LYS  12           2HZ      LYS  12   1.709  13.712   5.955
  584    H    LEU  13           H        LEU  13   5.445   9.148   4.164
  585    HA   LEU  13           HA       LEU  13   5.638   9.469   1.253
  586    HB2  LEU  13           2HB      LEU  13   5.383   6.973   1.077
  587    HB3  LEU  13           1HB      LEU  13   6.935   7.527   1.673
  588    HG   LEU  13           HG       LEU  13   4.807   6.724   3.627
  589   HD11  LEU  13          1HD1      LEU  13   6.662   4.847   2.167
  590   HD12  LEU  13          2HD1      LEU  13   4.902   4.876   2.057
  591   HD13  LEU  13          3HD1      LEU  13   5.682   4.430   3.573
  592   HD21  LEU  13          3HD2      LEU  13   6.782   6.090   4.958
  593   HD22  LEU  13          1HD2      LEU  13   6.816   7.794   4.494
  594   HD23  LEU  13          2HD2      LEU  13   7.827   6.624   3.641
  595    H    GLY  14           H        GLY  14   3.762   9.308   0.154
  596    HA2  GLY  14           2HA      GLY  14   1.351   9.142   1.823
  597    HA3  GLY  14           1HA      GLY  14   1.474   9.970   0.277
  598    H    VAL  15           H        VAL  15   0.254   7.309   1.770
  599    HA   VAL  15           HA       VAL  15   0.258   5.755  -0.729
  600    HB   VAL  15           HB       VAL  15  -0.533   4.811   2.048
  601   HG11  VAL  15          1HG1      VAL  15  -1.764   3.653   0.289
  602   HG12  VAL  15          2HG1      VAL  15  -0.601   2.581   1.069
  603   HG13  VAL  15          3HG1      VAL  15  -0.247   3.260  -0.520
  604   HG21  VAL  15          3HG2      VAL  15   1.933   4.208   0.426
  605   HG22  VAL  15          1HG2      VAL  15   1.516   3.491   1.982
  606   HG23  VAL  15          2HG2      VAL  15   1.862   5.218   1.872
  607    H    TYR  16           H        TYR  16  -1.677   5.313  -1.762
  608    HA   TYR  16           HA       TYR  16  -4.020   6.769  -0.725
  609    HB2  TYR  16           2HB      TYR  16  -2.703   7.376  -2.996
  610    HB3  TYR  16           1HB      TYR  16  -3.794   6.145  -3.617
  611    HD1  TYR  16           1HD      TYR  16  -5.445   7.713  -0.967
  612    HD2  TYR  16           2HD      TYR  16  -4.305   8.358  -5.013
  613    HE1  TYR  16           1HE      TYR  16  -7.199   9.400  -1.181
  614    HE2  TYR  16           2HE      TYR  16  -6.071  10.054  -5.241
  615    HH   TYR  16           HH       TYR  16  -7.720  11.352  -2.553
  616    H    ILE  17           H        ILE  17  -5.784   5.527  -0.292
  617    HA   ILE  17           HA       ILE  17  -6.133   3.026  -1.776
  618    HB   ILE  17           HB       ILE  17  -6.602   1.722   0.253
  619   HG12  ILE  17          2HG1      ILE  17  -5.502   4.108   1.747
  620   HG13  ILE  17          1HG1      ILE  17  -7.186   3.590   1.751
  621   HG21  ILE  17          1HG2      ILE  17  -3.846   2.936   0.184
  622   HG22  ILE  17          2HG2      ILE  17  -4.406   1.551  -0.752
  623   HG23  ILE  17          3HG2      ILE  17  -4.279   1.436   1.003
  624   HD11  ILE  17          3HD1      ILE  17  -6.009   2.879   3.768
  625   HD12  ILE  17          1HD1      ILE  17  -4.857   1.982   2.775
  626   HD13  ILE  17          2HD1      ILE  17  -6.553   1.500   2.813
  627    HA   PRO  18           HA       PRO  18 -10.418   3.905  -2.044
  628    HB2  PRO  18           2HB      PRO  18 -10.868   1.179  -0.923
  629    HB3  PRO  18           1HB      PRO  18 -11.534   1.921  -2.383
  630    HG2  PRO  18           2HG      PRO  18  -9.578   0.138  -2.566
  631    HG3  PRO  18           1HG      PRO  18  -9.585   1.575  -3.605
  632    HD2  PRO  18           2HD      PRO  18  -7.930   0.986  -1.195
  633    HD3  PRO  18           1HD      PRO  18  -7.497   1.862  -2.677
  634    H    GLN  19           H        GLN  19 -12.173   4.526  -0.883
  635    HA   GLN  19           HA       GLN  19 -11.756   5.371   1.743
  636    HB2  GLN  19           2HB      GLN  19 -14.103   6.054   1.733
  637    HB3  GLN  19           1HB      GLN  19 -13.320   6.473   0.216
  638    HG2  GLN  19           2HG      GLN  19 -14.345   4.540  -0.858
  639    HG3  GLN  19           1HG      GLN  19 -15.103   4.093   0.667
  640   HE21  GLN  19          1HE2      GLN  19 -16.850   5.262   1.416
  641   HE22  GLN  19          2HE2      GLN  19 -17.714   6.387   0.420
  642    H    GLU  20           H        GLU  20 -13.666   2.635   0.534
  643    HA   GLU  20           HA       GLU  20 -14.740   1.824   2.988
  644    HB2  GLU  20           2HB      GLU  20 -14.048   0.123   0.591
  645    HB3  GLU  20           1HB      GLU  20 -15.109  -0.353   1.910
  646    HG2  GLU  20           2HG      GLU  20 -15.557   1.857  -0.072
  647    HG3  GLU  20           1HG      GLU  20 -16.438   0.335   0.053
  648    H    TRP  21           H        TRP  21 -11.623   1.304   1.573
  649    HA   TRP  21           HA       TRP  21 -10.912  -0.831   3.382
  650    HB2  TRP  21           2HB      TRP  21 -10.109  -0.548   0.968
  651    HB3  TRP  21           1HB      TRP  21  -9.080   0.747   1.571
  652    HD1  TRP  21           HD       TRP  21  -9.276  -2.067   4.011
  653    HE1  TRP  21           1HE      TRP  21  -7.124  -3.474   3.887
  654    HE3  TRP  21           3HE      TRP  21  -7.301  -0.144  -0.284
  655    HZ2  TRP  21           2HZ      TRP  21  -4.892  -3.737   2.180
  656    HZ3  TRP  21           3HZ      TRP  21  -5.157  -1.023  -1.096
  657    HH2  TRP  21           HH       TRP  21  -3.974  -2.773   0.112
  658    H    HIS  22           H        HIS  22 -10.234   2.587   2.899
  659    HA   HIS  22           HA       HIS  22  -8.512   3.082   5.033
  660    HB2  HIS  22           2HB      HIS  22  -8.990   4.797   3.399
  661    HB3  HIS  22           1HB      HIS  22 -10.703   4.778   3.806
  662    HD1  HIS  22           1HD      HIS  22 -11.477   6.277   5.676
  663    HD2  HIS  22           2HD      HIS  22  -7.328   6.068   5.363
  664    HE1  HIS  22           1HE      HIS  22 -10.586   8.086   7.178
  665    HE2  HIS  22           2HE      HIS  22  -8.080   8.011   6.901
  666    H    ASP  23           H        ASP  23 -12.044   2.995   4.917
  667    HA   ASP  23           HA       ASP  23 -12.600   3.749   7.549
  668    HB2  ASP  23           2HB      ASP  23 -14.299   3.671   5.801
  669    HB3  ASP  23           1HB      ASP  23 -14.140   1.922   5.691
  670    H    ARG  24           H        ARG  24 -12.253   0.462   6.187
  671    HA   ARG  24           HA       ARG  24 -12.784  -0.762   8.721
  672    HB2  ARG  24           2HB      ARG  24 -11.945  -1.787   6.038
  673    HB3  ARG  24           1HB      ARG  24 -11.810  -2.835   7.439
  674    HG2  ARG  24           2HG      ARG  24 -13.887  -3.223   6.234
  675    HG3  ARG  24           1HG      ARG  24 -14.199  -2.613   7.859
  676    HD2  ARG  24           2HD      ARG  24 -14.736  -0.460   7.044
  677    HD3  ARG  24           1HD      ARG  24 -14.097  -0.831   5.443
  678    HE   ARG  24           HE       ARG  24 -16.288  -2.520   6.247
  679   HH11  ARG  24          1HH1      ARG  24 -15.447   0.549   4.796
  680   HH12  ARG  24          2HH1      ARG  24 -16.879   0.620   3.808
  681   HH21  ARG  24          1HH2      ARG  24 -18.173  -2.413   4.999
  682   HH22  ARG  24          2HH2      ARG  24 -18.434  -1.059   3.936
  683    H    LEU  25           H        LEU  25  -9.896   0.165   6.976
  684    HA   LEU  25           HA       LEU  25  -8.027  -1.304   8.472
  685    HB2  LEU  25           2HB      LEU  25  -7.944   1.079   6.725
  686    HB3  LEU  25           1HB      LEU  25  -6.605   0.900   7.843
  687    HG   LEU  25           HG       LEU  25  -7.464  -1.035   5.688
  688   HD11  LEU  25          1HD1      LEU  25  -5.232  -0.603   4.804
  689   HD12  LEU  25          2HD1      LEU  25  -4.939   0.548   6.107
  690   HD13  LEU  25          3HD1      LEU  25  -6.188   0.874   4.906
  691   HD21  LEU  25          3HD2      LEU  25  -5.288  -1.360   7.753
  692   HD22  LEU  25          1HD2      LEU  25  -5.598  -2.440   6.395
  693   HD23  LEU  25          2HD2      LEU  25  -6.792  -2.278   7.684
  694    H    MET  26           H        MET  26  -9.174   2.037   8.878
  695    HA   MET  26           HA       MET  26  -7.630   2.470  11.205
  696    HB2  MET  26           2HB      MET  26  -9.981   3.953  10.059
  697    HB3  MET  26           1HB      MET  26  -9.134   4.476  11.511
  698    HG2  MET  26           2HG      MET  26  -7.048   4.598  10.228
  699    HG3  MET  26           1HG      MET  26  -7.928   4.132   8.772
  700    HE1  MET  26           3HE      MET  26  -8.669   8.060  11.090
  701    HE2  MET  26           1HE      MET  26  -7.453   6.867  11.552
  702    HE3  MET  26           2HE      MET  26  -9.169   6.477  11.680
  703    H    GLU  27           H        GLU  27 -10.790   1.076  10.723
  704    HA   GLU  27           HA       GLU  27 -11.586   1.206  13.435
  705    HB2  GLU  27           2HB      GLU  27 -13.146   0.690  11.600
  706    HB3  GLU  27           1HB      GLU  27 -12.322  -0.840  11.338
  707    HG2  GLU  27           2HG      GLU  27 -13.153  -1.773  13.279
  708    HG3  GLU  27           1HG      GLU  27 -13.479  -0.202  14.011
  709    H    ILE  28           H        ILE  28  -9.808  -1.221  11.563
  710    HA   ILE  28           HA       ILE  28  -9.271  -2.968  13.736
  711    HB   ILE  28           HB       ILE  28  -7.637  -2.493  11.231
  712   HG12  ILE  28          2HG1      ILE  28  -9.735  -4.597  11.814
  713   HG13  ILE  28          1HG1      ILE  28  -9.976  -3.183  10.792
  714   HG21  ILE  28          1HG2      ILE  28  -6.331  -3.605  12.955
  715   HG22  ILE  28          2HG2      ILE  28  -6.710  -4.727  11.646
  716   HG23  ILE  28          3HG2      ILE  28  -7.605  -4.807  13.164
  717   HD11  ILE  28          3HD1      ILE  28  -9.577  -5.153   9.447
  718   HD12  ILE  28          1HD1      ILE  28  -8.050  -5.440  10.282
  719   HD13  ILE  28          2HD1      ILE  28  -8.244  -4.012   9.266
  720    H    ALA  29           H        ALA  29  -7.790  -0.073  12.492
  721    HA   ALA  29           HA       ALA  29  -5.422  -0.082  14.016
  722    HB1  ALA  29           1HB      ALA  29  -5.764   1.347  12.057
  723    HB2  ALA  29           2HB      ALA  29  -5.278   2.280  13.472
  724    HB3  ALA  29           3HB      ALA  29  -6.962   2.282  12.953
  725    H    LYS  30           H        LYS  30  -8.705   0.608  14.865
  726    HA   LYS  30           HA       LYS  30  -8.094   2.005  17.303
  727    HB2  LYS  30           2HB      LYS  30 -10.572   0.505  16.434
  728    HB3  LYS  30           1HB      LYS  30 -10.456   1.466  17.900
  729    HG2  LYS  30           2HG      LYS  30 -10.226   3.485  16.655
  730    HG3  LYS  30           1HG      LYS  30 -10.067   2.594  15.138
  731    HD2  LYS  30           2HD      LYS  30 -12.319   1.934  15.161
  732    HD3  LYS  30           1HD      LYS  30 -12.508   2.343  16.866
  733    HE2  LYS  30           2HE      LYS  30 -11.980   4.358  14.690
  734    HE3  LYS  30           1HE      LYS  30 -13.587   3.947  15.290
  735    HZ1  LYS  30           3HZ      LYS  30 -11.362   5.179  16.824
  736    HZ2  LYS  30           1HZ      LYS  30 -12.800   4.615  17.532
  737    HZ3  LYS  30           2HZ      LYS  30 -12.847   5.890  16.412
  738    H    GLU  31           H        GLU  31  -8.989  -1.259  16.382
  739    HA   GLU  31           HA       GLU  31  -8.980  -2.441  18.893
  740    HB2  GLU  31           2HB      GLU  31  -9.920  -3.655  17.105
  741    HB3  GLU  31           1HB      GLU  31  -8.469  -3.509  16.129
  742    HG2  GLU  31           2HG      GLU  31  -8.815  -5.776  16.976
  743    HG3  GLU  31           1HG      GLU  31  -7.306  -5.071  17.543
  744    H    LYS  32           H        LYS  32  -6.295  -1.897  16.646
  745    HA   LYS  32           HA       LYS  32  -4.470  -3.225  18.497
  746    HB2  LYS  32           2HB      LYS  32  -4.467  -2.667  15.629
  747    HB3  LYS  32           1HB      LYS  32  -2.916  -2.369  16.400
  748    HG2  LYS  32           2HG      LYS  32  -3.064  -4.634  15.512
  749    HG3  LYS  32           1HG      LYS  32  -2.882  -4.637  17.266
  750    HD2  LYS  32           2HD      LYS  32  -5.327  -4.959  17.477
  751    HD3  LYS  32           1HD      LYS  32  -5.441  -5.053  15.719
  752    HE2  LYS  32           2HE      LYS  32  -3.983  -7.002  15.718
  753    HE3  LYS  32           1HE      LYS  32  -3.819  -6.896  17.470
  754    HZ1  LYS  32           3HZ      LYS  32  -6.330  -7.422  15.974
  755    HZ2  LYS  32           1HZ      LYS  32  -6.209  -7.267  17.657
  756    HZ3  LYS  32           2HZ      LYS  32  -5.442  -8.558  16.873
  757    H    ASN  33           H        ASN  33  -5.636  -0.177  18.115
  758    HA   ASN  33           HA       ASN  33  -5.031   1.896  18.816
  759    HB2  ASN  33           2HB      ASN  33  -2.998   0.353  20.445
  760    HB3  ASN  33           1HB      ASN  33  -3.378   2.059  20.668
  761   HD21  ASN  33          1HD2      ASN  33  -4.425  -1.192  21.124
  762   HD22  ASN  33          2HD2      ASN  33  -5.790  -0.846  22.135
  763    H    LEU  34           H        LEU  34  -4.126   1.280  16.401
  764    HA   LEU  34           HA       LEU  34  -1.428   2.449  16.237
  765    HB2  LEU  34           2HB      LEU  34  -2.552   0.160  14.614
  766    HB3  LEU  34           1HB      LEU  34  -1.059   1.001  14.229
  767    HG   LEU  34           HG       LEU  34  -1.574  -0.590  16.742
  768   HD11  LEU  34          1HD1      LEU  34   0.063  -2.158  15.780
  769   HD12  LEU  34          2HD1      LEU  34   0.064  -1.212  14.290
  770   HD13  LEU  34          3HD1      LEU  34  -1.406  -2.035  14.814
  771   HD21  LEU  34          3HD2      LEU  34   0.817  -0.294  17.156
  772   HD22  LEU  34          1HD2      LEU  34  -0.023   1.256  17.115
  773   HD23  LEU  34          2HD2      LEU  34   0.938   0.737  15.730
  774    H    THR  35           H        THR  35  -1.041   3.314  13.935
  775    HA   THR  35           HA       THR  35  -3.542   4.501  12.943
  776    HB   THR  35           HB       THR  35  -2.145   6.076  11.687
  777    HG1  THR  35           1HG      THR  35   0.084   4.730  12.892
  778   HG21  THR  35          3HG2      THR  35  -1.256   5.877  14.566
  779   HG22  THR  35          1HG2      THR  35  -2.728   6.663  13.995
  780   HG23  THR  35          2HG2      THR  35  -1.151   7.310  13.546
  781    H    LEU  36           H        LEU  36  -3.985   4.409  10.640
  782    HA   LEU  36           HA       LEU  36  -3.568   1.840   9.579
  783    HB2  LEU  36           2HB      LEU  36  -4.735   2.515   7.658
  784    HB3  LEU  36           1HB      LEU  36  -5.444   3.422   8.977
  785    HG   LEU  36           HG       LEU  36  -3.383   4.582   7.106
  786   HD11  LEU  36          1HD1      LEU  36  -6.390   4.771   6.969
  787   HD12  LEU  36          2HD1      LEU  36  -5.356   3.893   5.842
  788   HD13  LEU  36          3HD1      LEU  36  -5.248   5.651   5.951
  789   HD21  LEU  36          3HD2      LEU  36  -5.359   5.882   8.978
  790   HD22  LEU  36          1HD2      LEU  36  -4.217   6.714   7.924
  791   HD23  LEU  36          2HD2      LEU  36  -3.624   5.727   9.258
  792    H    SER  37           H        SER  37  -1.787   4.796   9.246
  793    HA   SER  37           HA       SER  37  -0.063   4.191   7.154
  794    HB2  SER  37           2HB      SER  37   0.643   5.624   9.728
  795    HB3  SER  37           1HB      SER  37   1.436   5.810   8.163
  796    HG   SER  37           HG       SER  37   0.063   7.424   8.034
  797    H    ASP  38           H        ASP  38   0.153   3.372  10.604
  798    HA   ASP  38           HA       ASP  38   2.648   2.060  10.475
  799    HB2  ASP  38           2HB      ASP  38   0.368   1.762  12.440
  800    HB3  ASP  38           1HB      ASP  38   1.927   0.970  12.630
  801    H    VAL  39           H        VAL  39  -0.652   0.985   9.978
  802    HA   VAL  39           HA       VAL  39  -0.184  -1.787  10.135
  803    HB   VAL  39           HB       VAL  39  -2.307  -0.412   8.480
  804   HG11  VAL  39          1HG1      VAL  39  -2.027  -2.787   7.978
  805   HG12  VAL  39          2HG1      VAL  39  -3.563  -2.480   8.790
  806   HG13  VAL  39          3HG1      VAL  39  -2.214  -3.173   9.689
  807   HG21  VAL  39          3HG2      VAL  39  -2.383   0.403  10.765
  808   HG22  VAL  39          1HG2      VAL  39  -2.361  -1.253  11.377
  809   HG23  VAL  39          2HG2      VAL  39  -3.748  -0.672  10.456
  810    H    CYS  40           H        CYS  40  -0.156   0.425   7.342
  811    HA   CYS  40           HA       CYS  40   0.252  -1.622   5.426
  812    HB2  CYS  40           2HB      CYS  40   1.152   1.222   5.008
  813    HB3  CYS  40           1HB      CYS  40   0.504   0.080   3.839
  814    HG   CYS  40           HG       CYS  40  -1.362   1.497   6.341
  815    H    ARG  41           H        ARG  41   2.541   0.721   6.822
  816    HA   ARG  41           HA       ARG  41   4.923  -0.283   5.974
  817    HB2  ARG  41           2HB      ARG  41   5.136   1.679   7.121
  818    HB3  ARG  41           1HB      ARG  41   3.970   1.221   8.347
  819    HG2  ARG  41           2HG      ARG  41   6.504  -0.269   8.411
  820    HG3  ARG  41           1HG      ARG  41   6.618   1.458   8.769
  821    HD2  ARG  41           2HD      ARG  41   4.773   1.157  10.423
  822    HD3  ARG  41           1HD      ARG  41   4.871  -0.583  10.139
  823    HE   ARG  41           HE       ARG  41   7.418   0.081  10.792
  824   HH11  ARG  41          1HH1      ARG  41   4.343   0.765  12.326
  825   HH12  ARG  41          2HH1      ARG  41   4.977   0.698  13.940
  826   HH21  ARG  41          1HH2      ARG  41   8.267   0.002  12.909
  827   HH22  ARG  41          2HH2      ARG  41   7.225   0.273  14.272
  828    H    LEU  42           H        LEU  42   3.123  -1.396   8.874
  829    HA   LEU  42           HA       LEU  42   5.037  -3.366   9.594
  830    HB2  LEU  42           2HB      LEU  42   2.094  -3.115  10.210
  831    HB3  LEU  42           1HB      LEU  42   3.112  -4.373  10.885
  832    HG   LEU  42           HG       LEU  42   3.551  -1.413  11.294
  833   HD11  LEU  42          1HD1      LEU  42   2.342  -3.480  13.130
  834   HD12  LEU  42          2HD1      LEU  42   1.488  -2.140  12.364
  835   HD13  LEU  42          3HD1      LEU  42   2.733  -1.819  13.571
  836   HD21  LEU  42          3HD2      LEU  42   4.811  -3.829  12.600
  837   HD22  LEU  42          1HD2      LEU  42   5.110  -2.146  13.034
  838   HD23  LEU  42          2HD2      LEU  42   5.596  -2.748  11.448
  839    H    ALA  43           H        ALA  43   2.423  -3.262   7.349
  840    HA   ALA  43           HA       ALA  43   2.191  -6.067   6.978
  841    HB1  ALA  43           1HB      ALA  43   0.369  -4.507   6.484
  842    HB2  ALA  43           2HB      ALA  43   0.786  -5.504   5.090
  843    HB3  ALA  43           3HB      ALA  43   1.322  -3.825   5.168
  844    H    ILE  44           H        ILE  44   4.252  -3.577   5.619
  845    HA   ILE  44           HA       ILE  44   5.167  -5.126   3.407
  846    HB   ILE  44           HB       ILE  44   6.554  -2.850   4.848
  847   HG12  ILE  44          2HG1      ILE  44   4.830  -2.984   2.371
  848   HG13  ILE  44          1HG1      ILE  44   4.584  -2.009   3.816
  849   HG21  ILE  44          1HG2      ILE  44   7.250  -4.145   2.211
  850   HG22  ILE  44          2HG2      ILE  44   8.170  -4.286   3.708
  851   HG23  ILE  44          3HG2      ILE  44   8.031  -2.723   2.903
  852   HD11  ILE  44          3HD1      ILE  44   6.782  -1.614   1.798
  853   HD12  ILE  44          1HD1      ILE  44   6.515  -0.641   3.242
  854   HD13  ILE  44          2HD1      ILE  44   5.319  -0.641   1.949
  855    H    LYS  45           H        LYS  45   6.217  -4.622   6.723
  856    HA   LYS  45           HA       LYS  45   8.483  -6.242   6.722
  857    HB2  LYS  45           2HB      LYS  45   7.986  -4.827   8.605
  858    HB3  LYS  45           1HB      LYS  45   6.475  -5.673   8.901
  859    HG2  LYS  45           2HG      LYS  45   7.683  -7.671   9.538
  860    HG3  LYS  45           1HG      LYS  45   9.220  -6.882   9.175
  861    HD2  LYS  45           2HD      LYS  45   7.254  -5.848  11.211
  862    HD3  LYS  45           1HD      LYS  45   8.579  -6.941  11.607
  863    HE2  LYS  45           2HE      LYS  45   8.876  -4.216  10.347
  864    HE3  LYS  45           1HE      LYS  45   9.141  -4.589  12.051
  865    HZ1  LYS  45           3HZ      LYS  45  11.250  -4.606  11.036
  866    HZ2  LYS  45           1HZ      LYS  45  10.711  -5.527   9.715
  867    HZ3  LYS  45           2HZ      LYS  45  10.844  -6.240  11.248
  868    H    GLU  46           H        GLU  46   5.085  -7.047   7.131
  869    HA   GLU  46           HA       GLU  46   5.467  -9.813   7.668
  870    HB2  GLU  46           2HB      GLU  46   3.394  -8.478   8.197
  871    HB3  GLU  46           1HB      GLU  46   3.038  -8.461   6.475
  872    HG2  GLU  46           2HG      GLU  46   1.736 -10.174   7.503
  873    HG3  GLU  46           1HG      GLU  46   2.981 -10.938   6.516
  874    H    TYR  47           H        TYR  47   4.906  -7.861   4.842
  875    HA   TYR  47           HA       TYR  47   4.444  -9.860   2.964
  876    HB2  TYR  47           2HB      TYR  47   4.010  -7.424   2.651
  877    HB3  TYR  47           1HB      TYR  47   5.743  -7.158   2.532
  878    HD1  TYR  47           2HD      TYR  47   6.971  -7.840   0.535
  879    HD2  TYR  47           1HD      TYR  47   2.769  -8.409   0.833
  880    HE1  TYR  47           2HE      TYR  47   6.853  -8.202  -1.894
  881    HE2  TYR  47           1HE      TYR  47   2.636  -8.770  -1.591
  882    HH   TYR  47           HH       TYR  47   3.845  -8.333  -3.585
  883    H    LEU  48           H        LEU  48   7.439  -8.253   3.935
  884    HA   LEU  48           HA       LEU  48   9.139  -9.559   2.108
  885    HB2  LEU  48           2HB      LEU  48   9.797  -8.431   4.833
  886    HB3  LEU  48           1HB      LEU  48  10.963  -8.834   3.589
  887    HG   LEU  48           HG       LEU  48   8.857  -6.683   3.372
  888   HD11  LEU  48          1HD1      LEU  48  11.835  -6.501   3.787
  889   HD12  LEU  48          2HD1      LEU  48  10.589  -6.097   4.967
  890   HD13  LEU  48          3HD1      LEU  48  10.754  -5.139   3.496
  891   HD21  LEU  48          3HD2      LEU  48  10.075  -6.043   1.332
  892   HD22  LEU  48          1HD2      LEU  48   9.369  -7.655   1.208
  893   HD23  LEU  48          2HD2      LEU  48  11.097  -7.470   1.511
  894    H    ASP  49           H        ASP  49   8.109 -10.360   5.382
  895    HA   ASP  49           HA       ASP  49   9.917 -12.448   5.847
  896    HB2  ASP  49           2HB      ASP  49   8.640 -11.420   7.646
  897    HB3  ASP  49           1HB      ASP  49   7.140 -12.058   6.973
  898    H    ASN  50           H        ASN  50   6.528 -12.637   4.688
  899    HA   ASN  50           HA       ASN  50   6.736 -15.499   4.528
  900    HB2  ASN  50           2HB      ASN  50   4.438 -15.521   3.806
  901    HB3  ASN  50           1HB      ASN  50   4.607 -14.401   5.150
  902   HD21  ASN  50          1HD2      ASN  50   4.218 -12.256   4.842
  903   HD22  ASN  50          2HD2      ASN  50   3.547 -11.615   3.389
  904    H    HIS  51           H        HIS  51   7.378 -12.925   2.351
  905    HA   HIS  51           HA       HIS  51   7.098 -14.614  -0.004
  906    HB2  HIS  51           2HB      HIS  51   7.810 -11.740   0.443
  907    HB3  HIS  51           1HB      HIS  51   8.269 -12.509  -1.072
  908    HD1  HIS  51           1HD      HIS  51   6.540 -12.605  -2.846
  909    HD2  HIS  51           2HD      HIS  51   4.903 -11.822   0.899
  910    HE1  HIS  51           1HE      HIS  51   4.104 -12.112  -3.256
  911    HE2  HIS  51           2HE      HIS  51   3.109 -11.723  -0.972
  912    H    ASP  52           H        ASP  52   9.489 -13.790   2.288
  913    HA   ASP  52           HA       ASP  52  11.666 -14.776   0.612
  914    HB2  ASP  52           2HB      ASP  52  12.155 -12.846   2.012
  915    HB3  ASP  52           1HB      ASP  52  11.610 -13.706   3.445
  916    H    LYS  53           H        LYS  53   9.452 -15.796   3.027
  917    HA   LYS  53           HA       LYS  53  10.925 -18.201   3.703
  918    HB2  LYS  53           2HB      LYS  53   9.655 -17.110   5.466
  919    HB3  LYS  53           1HB      LYS  53   8.185 -17.208   4.511
  920    HG2  LYS  53           2HG      LYS  53   8.058 -18.887   6.169
  921    HG3  LYS  53           1HG      LYS  53   8.370 -19.701   4.636
  922    HD2  LYS  53           2HD      LYS  53   9.740 -20.699   6.345
  923    HD3  LYS  53           1HD      LYS  53  10.780 -19.799   5.243
  924    HE2  LYS  53           2HE      LYS  53  10.901 -17.956   6.817
  925    HE3  LYS  53           1HE      LYS  53   9.776 -18.777   7.899
  926    HZ1  LYS  53           3HZ      LYS  53  11.419 -20.578   8.113
  927    HZ2  LYS  53           1HZ      LYS  53  12.019 -19.093   8.670
  928    HZ3  LYS  53           2HZ      LYS  53  12.508 -19.690   7.160
  929    H    GLN  54           H        GLN  54   7.657 -17.539   2.407
  930    HA   GLN  54           HA       GLN  54   6.228 -18.754   1.145
  931    HB2  GLN  54           2HB      GLN  54   8.852 -19.496  -0.112
  932    HB3  GLN  54           1HB      GLN  54   7.338 -20.172  -0.701
  933    HG2  GLN  54           2HG      GLN  54   6.498 -17.906  -1.102
  934    HG3  GLN  54           1HG      GLN  54   8.041 -17.248  -0.553
  935   HE21  GLN  54          1HE2      GLN  54   9.819 -17.383  -1.884
  936   HE22  GLN  54          2HE2      GLN  54   9.717 -17.860  -3.548
  937    H    LYS  55           H        LYS  55   5.175 -20.104   2.450
  938    HA   LYS  55           HA       LYS  55   6.477 -22.385   3.631
  939    HB2  LYS  55           2HB      LYS  55   4.495 -22.675   4.912
  940    HB3  LYS  55           1HB      LYS  55   4.806 -20.949   4.831
  941    HG2  LYS  55           2HG      LYS  55   3.079 -20.668   3.165
  942    HG3  LYS  55           1HG      LYS  55   2.820 -22.414   3.103
  943    HD2  LYS  55           2HD      LYS  55   2.277 -22.296   5.564
  944    HD3  LYS  55           1HD      LYS  55   2.264 -20.541   5.391
  945    HE2  LYS  55           2HE      LYS  55   0.529 -22.452   3.835
  946    HE3  LYS  55           1HE      LYS  55   0.012 -21.551   5.257
  947    HZ1  LYS  55           3HZ      LYS  55  -0.721 -20.408   3.325
  948    HZ2  LYS  55           1HZ      LYS  55   0.817 -20.438   2.623
  949    HZ3  LYS  55           2HZ      LYS  55   0.528 -19.489   3.999
  950    H    LYS  56           H        LYS  56   5.567 -22.070   0.624
  951    HA   LYS  56           HA       LYS  56   4.622 -24.831   0.444
  952    HB2  LYS  56           2HB      LYS  56   3.058 -24.275  -1.336
  953    HB3  LYS  56           1HB      LYS  56   2.667 -23.369   0.117
  954    HG2  LYS  56           2HG      LYS  56   3.693 -21.380  -0.825
  955    HG3  LYS  56           1HG      LYS  56   4.149 -22.285  -2.269
  956    HD2  LYS  56           2HD      LYS  56   1.681 -22.786  -2.563
  957    HD3  LYS  56           1HD      LYS  56   1.384 -21.571  -1.319
  958    HE2  LYS  56           2HE      LYS  56   1.172 -20.591  -3.536
  959    HE3  LYS  56           1HE      LYS  56   2.551 -19.899  -2.680
  960    HZ1  LYS  56           3HZ      LYS  56   3.065 -20.438  -5.001
  961    HZ2  LYS  56           1HZ      LYS  56   2.725 -22.073  -4.700
  962    HZ3  LYS  56           2HZ      LYS  56   4.030 -21.319  -3.925
  Start of MODEL   19
    1    H1   GLY   2           1HT      GLY   2 -20.307  20.283  -5.053
    2    H2   GLY   2           2HT      GLY   2 -20.555  20.138  -6.724
    3    H3   GLY   2           3HT      GLY   2 -19.118  20.818  -6.142
    4    HA2  GLY   2           1HA      GLY   2 -19.998  17.998  -5.873
    5    HA3  GLY   2           2HA      GLY   2 -18.680  18.593  -6.870
    6    H    ARG   3           H        ARG   3 -16.984  17.573  -5.967
    7    HA   ARG   3           HA       ARG   3 -15.380  16.970  -4.482
    8    HB2  ARG   3           2HB      ARG   3 -15.023  19.373  -4.255
    9    HB3  ARG   3           1HB      ARG   3 -16.305  19.478  -3.059
   10    HG2  ARG   3           2HG      ARG   3 -14.098  19.565  -2.031
   11    HG3  ARG   3           1HG      ARG   3 -15.002  18.144  -1.506
   12    HD2  ARG   3           2HD      ARG   3 -12.713  17.527  -1.950
   13    HD3  ARG   3           1HD      ARG   3 -13.765  16.788  -3.157
   14    HE   ARG   3           HE       ARG   3 -12.867  19.210  -4.209
   15   HH11  ARG   3          1HH1      ARG   3 -11.509  16.124  -3.223
   16   HH12  ARG   3          2HH1      ARG   3 -10.203  16.188  -4.359
   17   HH21  ARG   3          1HH2      ARG   3 -11.127  19.313  -5.675
   18   HH22  ARG   3          2HH2      ARG   3  -9.971  18.010  -5.744
   19    HA   PRO   4           HA       PRO   4 -18.571  14.857  -1.878
   20    HB2  PRO   4           2HB      PRO   4 -17.010  12.492  -2.666
   21    HB3  PRO   4           1HB      PRO   4 -18.741  12.798  -2.832
   22    HG2  PRO   4           2HG      PRO   4 -17.108  12.752  -4.962
   23    HG3  PRO   4           1HG      PRO   4 -18.496  13.854  -4.871
   24    HD2  PRO   4           2HD      PRO   4 -15.593  14.416  -4.387
   25    HD3  PRO   4           1HD      PRO   4 -16.796  15.386  -5.266
   26    H    TYR   5           H        TYR   5 -18.231  13.391  -0.020
   27    HA   TYR   5           HA       TYR   5 -15.935  14.302   1.486
   28    HB2  TYR   5           2HB      TYR   5 -18.239  12.496   2.239
   29    HB3  TYR   5           1HB      TYR   5 -16.994  13.038   3.360
   30    HD1  TYR   5           1HD      TYR   5 -16.839  15.451   3.951
   31    HD2  TYR   5           2HD      TYR   5 -20.057  13.906   1.635
   32    HE1  TYR   5           1HE      TYR   5 -18.160  17.463   4.452
   33    HE2  TYR   5           2HE      TYR   5 -21.385  15.913   2.132
   34    HH   TYR   5           HH       TYR   5 -20.028  18.712   3.557
   35    H    LYS   6           H        LYS   6 -16.688  11.681  -0.467
   36    HA   LYS   6           HA       LYS   6 -14.757   9.868   0.731
   37    HB2  LYS   6           2HB      LYS   6 -15.361   8.366  -1.107
   38    HB3  LYS   6           1HB      LYS   6 -16.806   8.960  -0.299
   39    HG2  LYS   6           2HG      LYS   6 -17.377  10.359  -2.076
   40    HG3  LYS   6           1HG      LYS   6 -15.754  10.307  -2.765
   41    HD2  LYS   6           2HD      LYS   6 -16.098   7.919  -3.300
   42    HD3  LYS   6           1HD      LYS   6 -17.747   8.042  -2.682
   43    HE2  LYS   6           2HE      LYS   6 -16.715   9.817  -4.876
   44    HE3  LYS   6           1HE      LYS   6 -17.430   8.238  -5.201
   45    HZ1  LYS   6           3HZ      LYS   6 -18.875  10.235  -3.581
   46    HZ2  LYS   6           1HZ      LYS   6 -19.492   8.927  -4.462
   47    HZ3  LYS   6           2HZ      LYS   6 -18.924  10.303  -5.277
   48    H    LEU   7           H        LEU   7 -14.500  12.604  -0.909
   49    HA   LEU   7           HA       LEU   7 -13.138  13.600  -2.404
   50    HB2  LEU   7           2HB      LEU   7 -11.289  11.301  -1.748
   51    HB3  LEU   7           1HB      LEU   7 -10.826  12.753  -2.614
   52    HG   LEU   7           HG       LEU   7 -11.767  12.644   0.255
   53   HD11  LEU   7          1HD1      LEU   7  -9.033  13.182  -0.896
   54   HD12  LEU   7          2HD1      LEU   7  -9.531  11.699  -0.082
   55   HD13  LEU   7          3HD1      LEU   7  -9.474  13.218   0.811
   56   HD21  LEU   7          3HD2      LEU   7 -10.769  14.960  -1.402
   57   HD22  LEU   7          1HD2      LEU   7 -11.100  15.003   0.330
   58   HD23  LEU   7          2HD2      LEU   7 -12.416  14.732  -0.813
   59    H    LEU   8           H        LEU   8 -11.766  10.528  -3.298
   60    HA   LEU   8           HA       LEU   8 -13.638  10.191  -5.494
   61    HB2  LEU   8           2HB      LEU   8 -10.698  10.699  -5.870
   62    HB3  LEU   8           1HB      LEU   8 -11.625   9.788  -7.047
   63    HG   LEU   8           HG       LEU   8 -12.173  12.646  -6.225
   64   HD11  LEU   8          1HD1      LEU   8 -10.144  12.463  -7.540
   65   HD12  LEU   8          2HD1      LEU   8 -11.433  13.184  -8.504
   66   HD13  LEU   8          3HD1      LEU   8 -10.988  11.494  -8.746
   67   HD21  LEU   8          3HD2      LEU   8 -13.464  10.905  -8.324
   68   HD22  LEU   8          1HD2      LEU   8 -13.772  12.625  -8.086
   69   HD23  LEU   8          2HD2      LEU   8 -14.213  11.468  -6.831
   70    H    ASN   9           H        ASN   9 -13.818   8.637  -3.516
   71    HA   ASN   9           HA       ASN   9 -13.962   6.458  -2.915
   72    HB2  ASN   9           2HB      ASN   9 -12.601   6.038  -5.573
   73    HB3  ASN   9           1HB      ASN   9 -13.036   4.706  -4.511
   74   HD21  ASN   9          1HD2      ASN   9 -14.413   3.860  -6.051
   75   HD22  ASN   9          2HD2      ASN   9 -15.945   4.571  -6.419
   76    H    GLY  10           H        GLY  10 -11.582   8.223  -2.353
   77    HA2  GLY  10           2HA      GLY  10  -9.988   6.254  -1.004
   78    HA3  GLY  10           1HA      GLY  10  -9.157   6.967  -2.380
   79    H    ILE  11           H        ILE  11  -8.397   7.161   0.360
   80    HA   ILE  11           HA       ILE  11  -8.625  10.075   0.757
   81    HB   ILE  11           HB       ILE  11  -8.536   8.055   3.012
   82   HG12  ILE  11          2HG1      ILE  11 -10.685   7.928   1.775
   83   HG13  ILE  11          1HG1      ILE  11 -10.877   8.504   3.427
   84   HG21  ILE  11          1HG2      ILE  11  -9.093   9.963   4.433
   85   HG22  ILE  11          2HG2      ILE  11  -9.055  11.024   3.026
   86   HG23  ILE  11          3HG2      ILE  11  -7.579  10.224   3.566
   87   HD11  ILE  11          3HD1      ILE  11 -12.281   9.750   1.890
   88   HD12  ILE  11          1HD1      ILE  11 -10.865  10.203   0.942
   89   HD13  ILE  11          2HD1      ILE  11 -11.044  10.799   2.590
   90    H    LYS  12           H        LYS  12  -6.751  11.018   1.843
   91    HA   LYS  12           HA       LYS  12  -4.323   9.607   0.989
   92    HB2  LYS  12           2HB      LYS  12  -4.835  11.763  -0.084
   93    HB3  LYS  12           1HB      LYS  12  -4.829  12.546   1.486
   94    HG2  LYS  12           2HG      LYS  12  -2.784  12.979   0.236
   95    HG3  LYS  12           1HG      LYS  12  -2.459  12.102   1.729
   96    HD2  LYS  12           2HD      LYS  12  -1.858  10.185   0.630
   97    HD3  LYS  12           1HD      LYS  12  -2.882  10.536  -0.763
   98    HE2  LYS  12           2HE      LYS  12  -0.371  10.695  -1.126
   99    HE3  LYS  12           1HE      LYS  12  -1.340  12.068  -1.653
  100    HZ1  LYS  12           3HZ      LYS  12   0.031  11.992   0.980
  101    HZ2  LYS  12           1HZ      LYS  12  -0.657  13.332   0.200
  102    HZ3  LYS  12           2HZ      LYS  12   0.755  12.620  -0.419
  103    H    LEU  13           H        LEU  13  -2.743   9.094   2.366
  104    HA   LEU  13           HA       LEU  13  -2.840  10.109   5.122
  105    HB2  LEU  13           2HB      LEU  13  -2.227   7.806   5.881
  106    HB3  LEU  13           1HB      LEU  13  -3.851   7.957   5.236
  107    HG   LEU  13           HG       LEU  13  -1.698   7.061   3.378
  108   HD11  LEU  13          1HD1      LEU  13  -1.303   5.729   5.392
  109   HD12  LEU  13          2HD1      LEU  13  -1.971   4.748   4.088
  110   HD13  LEU  13          3HD1      LEU  13  -3.005   5.267   5.420
  111   HD21  LEU  13          3HD2      LEU  13  -3.975   7.447   2.558
  112   HD22  LEU  13          1HD2      LEU  13  -4.599   6.303   3.749
  113   HD23  LEU  13          2HD2      LEU  13  -3.541   5.740   2.456
  114    H    GLY  14           H        GLY  14  -0.779   9.628   6.314
  115    HA2  GLY  14           2HA      GLY  14   1.527   9.665   4.475
  116    HA3  GLY  14           1HA      GLY  14   1.342  10.895   5.716
  117    H    VAL  15           H        VAL  15   3.429   8.803   5.247
  118    HA   VAL  15           HA       VAL  15   3.230   7.377   7.826
  119    HB   VAL  15           HB       VAL  15   4.506   6.148   5.385
  120   HG11  VAL  15          1HG1      VAL  15   3.410   4.923   7.910
  121   HG12  VAL  15          2HG1      VAL  15   5.113   5.192   7.538
  122   HG13  VAL  15          3HG1      VAL  15   4.171   4.051   6.579
  123   HG21  VAL  15          3HG2      VAL  15   2.205   6.567   4.756
  124   HG22  VAL  15          1HG2      VAL  15   1.637   5.803   6.242
  125   HG23  VAL  15          2HG2      VAL  15   2.464   4.843   5.016
  126    H    TYR  16           H        TYR  16   5.376   6.647   8.639
  127    HA   TYR  16           HA       TYR  16   7.681   8.004   7.428
  128    HB2  TYR  16           2HB      TYR  16   6.769   8.135  10.242
  129    HB3  TYR  16           1HB      TYR  16   8.493   7.893   9.987
  130    HD1  TYR  16           1HD      TYR  16   9.748   9.532   8.584
  131    HD2  TYR  16           2HD      TYR  16   5.814  10.297  10.002
  132    HE1  TYR  16           1HE      TYR  16  10.088  11.922   8.189
  133    HE2  TYR  16           2HE      TYR  16   6.139  12.702   9.616
  134    HH   TYR  16           HH       TYR  16   7.879  14.308   9.373
  135    H    ILE  17           H        ILE  17   9.414   6.790   7.182
  136    HA   ILE  17           HA       ILE  17   9.929   4.473   8.813
  137    HB   ILE  17           HB       ILE  17  10.354   3.058   6.689
  138   HG12  ILE  17          2HG1      ILE  17   8.269   4.979   5.638
  139   HG13  ILE  17          1HG1      ILE  17   9.919   4.819   5.047
  140   HG21  ILE  17          1HG2      ILE  17   7.549   3.554   7.668
  141   HG22  ILE  17          2HG2      ILE  17   8.735   2.469   8.393
  142   HG23  ILE  17          3HG2      ILE  17   8.091   2.125   6.788
  143   HD11  ILE  17          3HD1      ILE  17   8.307   3.710   3.587
  144   HD12  ILE  17          1HD1      ILE  17   7.804   2.677   4.927
  145   HD13  ILE  17          2HD1      ILE  17   9.445   2.562   4.291
  146    HA   PRO  18           HA       PRO  18  13.970   5.881   8.403
  147    HB2  PRO  18           2HB      PRO  18  15.032   3.147   8.357
  148    HB3  PRO  18           1HB      PRO  18  15.182   4.394   9.598
  149    HG2  PRO  18           2HG      PRO  18  13.647   2.202   9.930
  150    HG3  PRO  18           1HG      PRO  18  13.229   3.772  10.643
  151    HD2  PRO  18           2HD      PRO  18  12.123   2.430   8.210
  152    HD3  PRO  18           1HD      PRO  18  11.284   3.376   9.460
  153    H    GLN  19           H        GLN  19  16.196   5.317   7.398
  154    HA   GLN  19           HA       GLN  19  16.075   5.888   4.685
  155    HB2  GLN  19           2HB      GLN  19  18.006   6.481   5.977
  156    HB3  GLN  19           1HB      GLN  19  18.318   4.802   6.387
  157    HG2  GLN  19           2HG      GLN  19  19.904   5.458   4.754
  158    HG3  GLN  19           1HG      GLN  19  18.759   4.366   3.979
  159   HE21  GLN  19          1HE2      GLN  19  17.344   5.168   2.431
  160   HE22  GLN  19          2HE2      GLN  19  17.583   6.709   1.681
  161    H    GLU  20           H        GLU  20  17.207   2.836   6.166
  162    HA   GLU  20           HA       GLU  20  17.595   1.524   3.716
  163    HB2  GLU  20           2HB      GLU  20  17.174   0.350   6.462
  164    HB3  GLU  20           1HB      GLU  20  17.780  -0.535   5.066
  165    HG2  GLU  20           2HG      GLU  20  19.641   1.147   4.939
  166    HG3  GLU  20           1HG      GLU  20  19.090   1.759   6.497
  167    H    TRP  21           H        TRP  21  14.689   2.248   5.267
  168    HA   TRP  21           HA       TRP  21  13.171   0.052   4.185
  169    HB2  TRP  21           2HB      TRP  21  12.583   2.537   5.709
  170    HB3  TRP  21           1HB      TRP  21  11.293   1.915   4.685
  171    HD1  TRP  21           HD       TRP  21  13.632   0.480   7.459
  172    HE1  TRP  21           1HE      TRP  21  12.211  -1.111   8.911
  173    HE3  TRP  21           3HE      TRP  21   9.241   0.790   4.891
  174    HZ2  TRP  21           2HZ      TRP  21   9.540  -2.085   8.951
  175    HZ3  TRP  21           3HZ      TRP  21   7.303  -0.485   5.692
  176    HH2  TRP  21           HH       TRP  21   7.438  -1.887   7.674
  177    H    HIS  22           H        HIS  22  13.330   3.556   3.547
  178    HA   HIS  22           HA       HIS  22  11.909   3.509   1.123
  179    HB2  HIS  22           2HB      HIS  22  13.969   5.419   2.226
  180    HB3  HIS  22           1HB      HIS  22  13.242   5.660   0.638
  181    HD1  HIS  22           1HD      HIS  22  11.402   7.302   0.741
  182    HD2  HIS  22           2HD      HIS  22  11.679   5.061   4.240
  183    HE1  HIS  22           1HE      HIS  22   9.545   8.119   2.224
  184    HE2  HIS  22           2HE      HIS  22   9.852   6.884   4.393
  185    H    ASP  23           H        ASP  23  15.263   2.986   1.896
  186    HA   ASP  23           HA       ASP  23  16.387   3.126  -0.651
  187    HB2  ASP  23           2HB      ASP  23  17.700   3.094   1.407
  188    HB3  ASP  23           1HB      ASP  23  17.214   1.430   1.711
  189    H    ARG  24           H        ARG  24  15.327   0.177   1.108
  190    HA   ARG  24           HA       ARG  24  15.772  -1.459  -1.219
  191    HB2  ARG  24           2HB      ARG  24  14.660  -1.945   1.516
  192    HB3  ARG  24           1HB      ARG  24  14.408  -3.143   0.258
  193    HG2  ARG  24           2HG      ARG  24  16.313  -3.750   1.590
  194    HG3  ARG  24           1HG      ARG  24  16.849  -3.313  -0.030
  195    HD2  ARG  24           2HD      ARG  24  17.961  -1.470   0.690
  196    HD3  ARG  24           1HD      ARG  24  16.812  -1.152   1.990
  197    HE   ARG  24           HE       ARG  24  18.127  -3.470   2.704
  198   HH11  ARG  24          1HH1      ARG  24  19.190  -0.237   1.859
  199   HH12  ARG  24          2HH1      ARG  24  20.420  -0.192   3.089
  200   HH21  ARG  24          1HH2      ARG  24  19.753  -3.415   4.300
  201   HH22  ARG  24          2HH2      ARG  24  20.710  -1.979   4.509
  202    H    LEU  25           H        LEU  25  12.980   0.057   0.300
  203    HA   LEU  25           HA       LEU  25  11.004  -1.307  -1.159
  204    HB2  LEU  25           2HB      LEU  25  11.058   1.394   0.158
  205    HB3  LEU  25           1HB      LEU  25   9.635   0.812  -0.691
  206    HG   LEU  25           HG       LEU  25  10.922  -0.403   1.757
  207   HD11  LEU  25          1HD1      LEU  25   8.779   0.135   2.814
  208   HD12  LEU  25          2HD1      LEU  25   8.233   0.890   1.317
  209   HD13  LEU  25          3HD1      LEU  25   9.591   1.577   2.207
  210   HD21  LEU  25          3HD2      LEU  25   9.112  -2.046   1.704
  211   HD22  LEU  25          1HD2      LEU  25  10.136  -2.169   0.273
  212   HD23  LEU  25          2HD2      LEU  25   8.557  -1.390   0.163
  213    H    MET  26           H        MET  26  12.541   1.856  -1.783
  214    HA   MET  26           HA       MET  26  11.185   2.235  -4.243
  215    HB2  MET  26           2HB      MET  26  13.698   3.529  -3.190
  216    HB3  MET  26           1HB      MET  26  12.868   4.023  -4.660
  217    HG2  MET  26           2HG      MET  26  10.841   4.463  -3.310
  218    HG3  MET  26           1HG      MET  26  11.775   4.102  -1.862
  219    HE1  MET  26           3HE      MET  26  14.635   5.389  -2.807
  220    HE2  MET  26           1HE      MET  26  13.975   5.504  -1.174
  221    HE3  MET  26           2HE      MET  26  14.500   6.961  -2.019
  222    H    GLU  27           H        GLU  27  14.134   0.559  -3.410
  223    HA   GLU  27           HA       GLU  27  15.180   0.395  -6.036
  224    HB2  GLU  27           2HB      GLU  27  16.524  -0.120  -4.033
  225    HB3  GLU  27           1HB      GLU  27  15.526  -1.535  -3.731
  226    HG2  GLU  27           2HG      GLU  27  16.303  -2.599  -5.715
  227    HG3  GLU  27           1HG      GLU  27  17.139  -1.137  -6.234
  228    H    ILE  28           H        ILE  28  13.173  -1.857  -4.137
  229    HA   ILE  28           HA       ILE  28  12.642  -3.680  -6.222
  230    HB   ILE  28           HB       ILE  28  10.837  -2.884  -3.924
  231   HG12  ILE  28          2HG1      ILE  28  12.789  -5.188  -4.162
  232   HG13  ILE  28          1HG1      ILE  28  13.064  -3.722  -3.228
  233   HG21  ILE  28          1HG2      ILE  28   9.585  -4.018  -5.669
  234   HG22  ILE  28          2HG2      ILE  28   9.762  -5.069  -4.265
  235   HG23  ILE  28          3HG2      ILE  28  10.763  -5.330  -5.692
  236   HD11  ILE  28          3HD1      ILE  28  12.379  -5.565  -1.803
  237   HD12  ILE  28          1HD1      ILE  28  10.890  -5.743  -2.730
  238   HD13  ILE  28          2HD1      ILE  28  11.174  -4.277  -1.793
  239    H    ALA  29           H        ALA  29  11.235  -0.620  -5.323
  240    HA   ALA  29           HA       ALA  29   8.982  -0.610  -7.000
  241    HB1  ALA  29           1HB      ALA  29   9.305   0.945  -5.139
  242    HB2  ALA  29           2HB      ALA  29   8.966   1.795  -6.647
  243    HB3  ALA  29           3HB      ALA  29  10.614   1.728  -6.024
  244    H    LYS  30           H        LYS  30  12.351  -0.103  -7.691
  245    HA   LYS  30           HA       LYS  30  11.909   1.210 -10.221
  246    HB2  LYS  30           2HB      LYS  30  14.394  -0.203  -9.224
  247    HB3  LYS  30           1HB      LYS  30  14.305   0.923 -10.573
  248    HG2  LYS  30           2HG      LYS  30  13.858   2.752  -9.097
  249    HG3  LYS  30           1HG      LYS  30  13.706   1.661  -7.718
  250    HD2  LYS  30           2HD      LYS  30  16.081   0.982  -8.097
  251    HD3  LYS  30           1HD      LYS  30  16.192   2.249  -9.318
  252    HE2  LYS  30           2HE      LYS  30  15.673   3.935  -7.631
  253    HE3  LYS  30           1HE      LYS  30  15.501   2.674  -6.411
  254    HZ1  LYS  30           3HZ      LYS  30  18.000   3.343  -7.883
  255    HZ2  LYS  30           1HZ      LYS  30  17.842   2.116  -6.724
  256    HZ3  LYS  30           2HZ      LYS  30  17.662   3.740  -6.271
  257    H    GLU  31           H        GLU  31  12.634  -2.003  -9.054
  258    HA   GLU  31           HA       GLU  31  13.053  -3.282 -11.508
  259    HB2  GLU  31           2HB      GLU  31  13.719  -4.258  -9.379
  260    HB3  GLU  31           1HB      GLU  31  12.038  -4.388  -8.884
  261    HG2  GLU  31           2HG      GLU  31  12.977  -6.532  -9.603
  262    HG3  GLU  31           1HG      GLU  31  11.618  -6.023 -10.606
  263    H    LYS  32           H        LYS  32  10.087  -3.205  -9.501
  264    HA   LYS  32           HA       LYS  32   8.657  -4.505 -11.687
  265    HB2  LYS  32           2HB      LYS  32   8.312  -4.358  -8.783
  266    HB3  LYS  32           1HB      LYS  32   6.807  -4.219  -9.684
  267    HG2  LYS  32           2HG      LYS  32   7.252  -6.528  -9.086
  268    HG3  LYS  32           1HG      LYS  32   7.295  -6.317 -10.835
  269    HD2  LYS  32           2HD      LYS  32   9.792  -6.133 -10.650
  270    HD3  LYS  32           1HD      LYS  32   9.633  -6.609  -8.960
  271    HE2  LYS  32           2HE      LYS  32   8.667  -8.232 -11.312
  272    HE3  LYS  32           1HE      LYS  32  10.187  -8.498 -10.464
  273    HZ1  LYS  32           3HZ      LYS  32   7.475  -8.708  -9.259
  274    HZ2  LYS  32           1HZ      LYS  32   8.946  -8.970  -8.449
  275    HZ3  LYS  32           2HZ      LYS  32   8.470 -10.009  -9.704
  276    H    ASN  33           H        ASN  33   9.284  -1.415 -10.889
  277    HA   ASN  33           HA       ASN  33   8.445   0.606 -11.460
  278    HB2  ASN  33           2HB      ASN  33   8.130  -0.350 -13.693
  279    HB3  ASN  33           1HB      ASN  33   6.562  -0.989 -13.214
  280   HD21  ASN  33          1HD2      ASN  33   5.622   0.175 -14.928
  281   HD22  ASN  33          2HD2      ASN  33   5.334   1.878 -14.800
  282    H    LEU  34           H        LEU  34   7.833   0.388  -9.191
  283    HA   LEU  34           HA       LEU  34   4.963   0.932  -8.846
  284    HB2  LEU  34           2HB      LEU  34   6.699  -0.648  -6.929
  285    HB3  LEU  34           1HB      LEU  34   5.015  -0.222  -6.683
  286    HG   LEU  34           HG       LEU  34   6.000  -2.038  -8.888
  287   HD11  LEU  34          1HD1      LEU  34   5.095  -3.859  -7.543
  288   HD12  LEU  34          2HD1      LEU  34   4.731  -2.724  -6.243
  289   HD13  LEU  34          3HD1      LEU  34   6.405  -3.030  -6.703
  290   HD21  LEU  34          3HD2      LEU  34   3.228  -1.438  -7.856
  291   HD22  LEU  34          1HD2      LEU  34   3.633  -2.649  -9.075
  292   HD23  LEU  34          2HD2      LEU  34   3.896  -0.938  -9.411
  293    H    THR  35           H        THR  35   4.613   2.283  -6.835
  294    HA   THR  35           HA       THR  35   7.036   3.812  -6.176
  295    HB   THR  35           HB       THR  35   5.557   5.500  -5.183
  296    HG1  THR  35           1HG      THR  35   3.414   3.853  -6.131
  297   HG21  THR  35          3HG2      THR  35   4.673   4.746  -7.972
  298   HG22  THR  35          1HG2      THR  35   6.115   5.680  -7.570
  299   HG23  THR  35          2HG2      THR  35   4.514   6.334  -7.222
  300    H    LEU  36           H        LEU  36   7.255   4.396  -3.815
  301    HA   LEU  36           HA       LEU  36   7.242   2.095  -2.231
  302    HB2  LEU  36           2HB      LEU  36   7.929   3.452  -0.412
  303    HB3  LEU  36           1HB      LEU  36   8.665   4.118  -1.851
  304    HG   LEU  36           HG       LEU  36   6.211   5.260  -0.505
  305   HD11  LEU  36          1HD1      LEU  36   8.165   5.418   0.930
  306   HD12  LEU  36          2HD1      LEU  36   7.723   7.004   0.301
  307   HD13  LEU  36          3HD1      LEU  36   9.092   6.133  -0.389
  308   HD21  LEU  36          3HD2      LEU  36   6.705   7.240  -1.891
  309   HD22  LEU  36          1HD2      LEU  36   6.303   5.826  -2.863
  310   HD23  LEU  36          2HD2      LEU  36   7.984   6.335  -2.701
  311    H    SER  37           H        SER  37   4.933   4.703  -2.555
  312    HA   SER  37           HA       SER  37   3.116   4.023  -0.563
  313    HB2  SER  37           2HB      SER  37   2.424   5.141  -3.288
  314    HB3  SER  37           1HB      SER  37   1.553   5.385  -1.771
  315    HG   SER  37           HG       SER  37   2.751   7.128  -1.687
  316    H    ASP  38           H        ASP  38   3.471   2.808  -3.875
  317    HA   ASP  38           HA       ASP  38   1.149   1.218  -3.958
  318    HB2  ASP  38           2HB      ASP  38   3.790   0.982  -5.395
  319    HB3  ASP  38           1HB      ASP  38   2.499  -0.186  -5.634
  320    H    VAL  39           H        VAL  39   4.423   0.566  -2.844
  321    HA   VAL  39           HA       VAL  39   4.134  -2.207  -2.490
  322    HB   VAL  39           HB       VAL  39   5.965  -0.342  -0.968
  323   HG11  VAL  39          1HG1      VAL  39   7.366  -2.313  -0.645
  324   HG12  VAL  39          2HG1      VAL  39   6.167  -3.308  -1.471
  325   HG13  VAL  39          3HG1      VAL  39   5.768  -2.542   0.066
  326   HG21  VAL  39          3HG2      VAL  39   6.265  -0.082  -3.363
  327   HG22  VAL  39          1HG2      VAL  39   6.414  -1.830  -3.554
  328   HG23  VAL  39          2HG2      VAL  39   7.643  -0.932  -2.663
  329    H    CYS  40           H        CYS  40   3.478   0.513  -0.323
  330    HA   CYS  40           HA       CYS  40   3.101  -1.087   1.996
  331    HB2  CYS  40           2HB      CYS  40   1.879   1.657   1.531
  332    HB3  CYS  40           1HB      CYS  40   2.300   0.902   3.063
  333    HG   CYS  40           HG       CYS  40   4.665   1.770   0.749
  334    H    ARG  41           H        ARG  41   0.642   0.626   0.032
  335    HA   ARG  41           HA       ARG  41  -1.557  -0.645   1.063
  336    HB2  ARG  41           2HB      ARG  41  -2.718   0.033  -0.999
  337    HB3  ARG  41           1HB      ARG  41  -1.762   1.320  -0.291
  338    HG2  ARG  41           2HG      ARG  41  -1.186   1.628  -2.440
  339    HG3  ARG  41           1HG      ARG  41   0.022   0.407  -2.042
  340    HD2  ARG  41           2HD      ARG  41  -1.210  -1.309  -3.068
  341    HD3  ARG  41           1HD      ARG  41  -2.672  -0.320  -3.139
  342    HE   ARG  41           HE       ARG  41  -0.322   0.542  -4.657
  343   HH11  ARG  41          1HH1      ARG  41  -3.565  -0.823  -4.712
  344   HH12  ARG  41          2HH1      ARG  41  -3.826  -0.424  -6.377
  345   HH21  ARG  41          1HH2      ARG  41  -0.687   1.082  -6.830
  346   HH22  ARG  41          2HH2      ARG  41  -2.205   0.657  -7.580
  347    H    LEU  42           H        LEU  42   0.586  -1.812  -1.536
  348    HA   LEU  42           HA       LEU  42  -1.037  -4.098  -2.095
  349    HB2  LEU  42           2HB      LEU  42   1.890  -3.574  -2.605
  350    HB3  LEU  42           1HB      LEU  42   1.051  -5.015  -3.145
  351    HG   LEU  42           HG       LEU  42   0.410  -2.188  -4.002
  352   HD11  LEU  42          1HD1      LEU  42   1.719  -4.450  -5.505
  353   HD12  LEU  42          2HD1      LEU  42   2.522  -2.995  -4.919
  354   HD13  LEU  42          3HD1      LEU  42   1.287  -2.875  -6.172
  355   HD21  LEU  42          3HD2      LEU  42  -1.576  -3.594  -3.965
  356   HD22  LEU  42          1HD2      LEU  42  -0.735  -4.830  -4.904
  357   HD23  LEU  42          2HD2      LEU  42  -1.082  -3.259  -5.625
  358    H    ALA  43           H        ALA  43   1.225  -3.270   0.347
  359    HA   ALA  43           HA       ALA  43   1.931  -5.883   1.155
  360    HB1  ALA  43           1HB      ALA  43   1.980  -3.330   2.736
  361    HB2  ALA  43           2HB      ALA  43   3.288  -3.948   1.726
  362    HB3  ALA  43           3HB      ALA  43   2.790  -4.834   3.169
  363    H    ILE  44           H        ILE  44  -0.483  -3.541   2.325
  364    HA   ILE  44           HA       ILE  44  -1.520  -5.291   4.311
  365    HB   ILE  44           HB       ILE  44  -3.592  -3.751   4.156
  366   HG12  ILE  44          2HG1      ILE  44  -1.592  -2.149   2.552
  367   HG13  ILE  44          1HG1      ILE  44  -3.148  -2.749   1.986
  368   HG21  ILE  44          1HG2      ILE  44  -2.038  -3.679   5.982
  369   HG22  ILE  44          2HG2      ILE  44  -2.455  -2.033   5.503
  370   HG23  ILE  44          3HG2      ILE  44  -0.905  -2.726   5.025
  371   HD11  ILE  44          3HD1      ILE  44  -4.300  -1.300   3.561
  372   HD12  ILE  44          1HD1      ILE  44  -3.237  -0.369   2.506
  373   HD13  ILE  44          2HD1      ILE  44  -2.753  -0.709   4.168
  374    H    LYS  45           H        LYS  45  -2.078  -4.891   0.912
  375    HA   LYS  45           HA       LYS  45  -4.516  -6.243   0.727
  376    HB2  LYS  45           2HB      LYS  45  -3.312  -5.033  -1.148
  377    HB3  LYS  45           1HB      LYS  45  -2.287  -6.455  -1.300
  378    HG2  LYS  45           2HG      LYS  45  -3.973  -6.671  -2.934
  379    HG3  LYS  45           1HG      LYS  45  -4.398  -7.795  -1.639
  380    HD2  LYS  45           2HD      LYS  45  -5.893  -5.973  -0.718
  381    HD3  LYS  45           1HD      LYS  45  -5.607  -5.097  -2.220
  382    HE2  LYS  45           2HE      LYS  45  -6.976  -7.750  -1.851
  383    HE3  LYS  45           1HE      LYS  45  -7.656  -6.256  -2.492
  384    HZ1  LYS  45           3HZ      LYS  45  -5.696  -8.064  -3.778
  385    HZ2  LYS  45           1HZ      LYS  45  -5.991  -6.493  -4.348
  386    HZ3  LYS  45           2HZ      LYS  45  -7.239  -7.640  -4.329
  387    H    GLU  46           H        GLU  46  -1.177  -7.496   0.636
  388    HA   GLU  46           HA       GLU  46  -2.007 -10.236   0.510
  389    HB2  GLU  46           2HB      GLU  46   0.180  -9.462  -0.370
  390    HB3  GLU  46           1HB      GLU  46   0.687  -9.084   1.272
  391    HG2  GLU  46           2HG      GLU  46   0.541 -11.416   1.888
  392    HG3  GLU  46           1HG      GLU  46  -0.066 -11.828   0.285
  393    H    TYR  47           H        TYR  47  -1.373  -7.914   2.978
  394    HA   TYR  47           HA       TYR  47  -1.147  -9.604   5.200
  395    HB2  TYR  47           2HB      TYR  47  -0.695  -7.155   5.212
  396    HB3  TYR  47           1HB      TYR  47  -2.419  -6.861   5.048
  397    HD1  TYR  47           2HD      TYR  47   0.203  -8.104   7.329
  398    HD2  TYR  47           1HD      TYR  47  -3.870  -6.944   6.943
  399    HE1  TYR  47           2HE      TYR  47  -0.010  -8.047   9.776
  400    HE2  TYR  47           1HE      TYR  47  -4.092  -6.887   9.394
  401    HH   TYR  47           HH       TYR  47  -1.349  -7.101  11.494
  402    H    LEU  48           H        LEU  48  -3.964  -8.057   3.701
  403    HA   LEU  48           HA       LEU  48  -5.923  -9.355   5.287
  404    HB2  LEU  48           2HB      LEU  48  -6.177  -8.255   2.484
  405    HB3  LEU  48           1HB      LEU  48  -7.508  -8.644   3.558
  406    HG   LEU  48           HG       LEU  48  -5.468  -6.459   3.985
  407   HD11  LEU  48          1HD1      LEU  48  -8.394  -6.354   3.273
  408   HD12  LEU  48          2HD1      LEU  48  -7.042  -5.919   2.226
  409   HD13  LEU  48          3HD1      LEU  48  -7.388  -4.962   3.668
  410   HD21  LEU  48          3HD2      LEU  48  -6.176  -7.419   6.106
  411   HD22  LEU  48          1HD2      LEU  48  -7.868  -7.242   5.636
  412   HD23  LEU  48          2HD2      LEU  48  -6.868  -5.811   5.888
  413    H    ASP  49           H        ASP  49  -4.320 -10.147   2.281
  414    HA   ASP  49           HA       ASP  49  -5.953 -12.244   1.406
  415    HB2  ASP  49           2HB      ASP  49  -4.245 -11.136   0.027
  416    HB3  ASP  49           1HB      ASP  49  -2.980 -11.863   1.011
  417    H    ASN  50           H        ASN  50  -3.207 -12.235   3.618
  418    HA   ASN  50           HA       ASN  50  -3.126 -15.105   3.778
  419    HB2  ASN  50           2HB      ASN  50  -1.582 -12.867   4.988
  420    HB3  ASN  50           1HB      ASN  50  -1.547 -14.428   5.805
  421   HD21  ASN  50          1HD2      ASN  50  -0.726 -12.685   2.910
  422   HD22  ASN  50          2HD2      ASN  50   0.366 -13.866   2.275
  423    H    HIS  51           H        HIS  51  -4.412 -12.511   5.811
  424    HA   HIS  51           HA       HIS  51  -4.960 -14.468   7.914
  425    HB2  HIS  51           2HB      HIS  51  -5.211 -11.457   7.939
  426    HB3  HIS  51           1HB      HIS  51  -5.564 -12.508   9.307
  427    HD1  HIS  51           1HD      HIS  51  -3.435 -13.958  10.192
  428    HD2  HIS  51           2HD      HIS  51  -2.592 -10.700   7.740
  429    HE1  HIS  51           1HE      HIS  51  -0.993 -13.453  10.538
  430    HE2  HIS  51           2HE      HIS  51  -0.502 -11.456   9.076
  431    H    ASP  52           H        ASP  52  -6.591 -12.575   5.539
  432    HA   ASP  52           HA       ASP  52  -8.706 -12.360   4.848
  433    HB2  ASP  52           2HB      ASP  52  -8.551 -14.793   4.680
  434    HB3  ASP  52           1HB      ASP  52  -9.149 -14.953   6.327
  435    H    LYS  53           H        LYS  53  -9.387 -13.860   8.013
  436    HA   LYS  53           HA       LYS  53 -10.709 -11.396   8.854
  437    HB2  LYS  53           2HB      LYS  53 -12.080 -14.047   8.474
  438    HB3  LYS  53           1HB      LYS  53 -12.702 -12.843   9.596
  439    HG2  LYS  53           2HG      LYS  53 -13.071 -11.284   7.853
  440    HG3  LYS  53           1HG      LYS  53 -12.175 -12.267   6.696
  441    HD2  LYS  53           2HD      LYS  53 -13.888 -14.007   6.844
  442    HD3  LYS  53           1HD      LYS  53 -14.784 -13.025   8.009
  443    HE2  LYS  53           2HE      LYS  53 -15.216 -11.346   6.395
  444    HE3  LYS  53           1HE      LYS  53 -14.068 -12.047   5.258
  445    HZ1  LYS  53           3HZ      LYS  53 -16.316 -12.539   4.608
  446    HZ2  LYS  53           1HZ      LYS  53 -16.648 -13.255   6.107
  447    HZ3  LYS  53           2HZ      LYS  53 -15.529 -13.973   5.056
  448    H    GLN  54           H        GLN  54 -10.475 -14.804   9.908
  449    HA   GLN  54           HA       GLN  54 -10.161 -15.723  11.969
  450    HB2  GLN  54           2HB      GLN  54  -8.302 -13.381  12.430
  451    HB3  GLN  54           1HB      GLN  54  -8.266 -14.934  13.252
  452    HG2  GLN  54           2HG      GLN  54  -7.591 -14.361  10.381
  453    HG3  GLN  54           1HG      GLN  54  -6.500 -14.899  11.657
  454   HE21  GLN  54          1HE2      GLN  54  -6.555 -17.048  12.315
  455   HE22  GLN  54          2HE2      GLN  54  -7.301 -18.281  11.360
  456    H    LYS  55           H        LYS  55 -12.389 -15.097  12.347
  457    HA   LYS  55           HA       LYS  55 -13.240 -12.582  13.112
  458    HB2  LYS  55           2HB      LYS  55 -14.526 -15.249  13.678
  459    HB3  LYS  55           1HB      LYS  55 -15.329 -13.692  13.824
  460    HG2  LYS  55           2HG      LYS  55 -14.940 -13.294  11.424
  461    HG3  LYS  55           1HG      LYS  55 -14.219 -14.899  11.300
  462    HD2  LYS  55           2HD      LYS  55 -17.049 -14.300  12.155
  463    HD3  LYS  55           1HD      LYS  55 -16.556 -14.892  10.569
  464    HE2  LYS  55           2HE      LYS  55 -15.651 -16.918  11.625
  465    HE3  LYS  55           1HE      LYS  55 -16.198 -16.331  13.196
  466    HZ1  LYS  55           3HZ      LYS  55 -17.899 -17.035  10.866
  467    HZ2  LYS  55           1HZ      LYS  55 -18.479 -16.315  12.290
  468    HZ3  LYS  55           2HZ      LYS  55 -17.795 -17.867  12.339
  469    H    LYS  56           H        LYS  56 -12.754 -11.457  14.818
  470    HA   LYS  56           HA       LYS  56 -12.511 -12.763  17.429
  471    HB2  LYS  56           2HB      LYS  56 -10.679 -11.270  16.867
  472    HB3  LYS  56           1HB      LYS  56 -11.797  -9.970  16.487
  473    HG2  LYS  56           2HG      LYS  56 -11.856 -11.100  19.236
  474    HG3  LYS  56           1HG      LYS  56 -10.491 -10.078  18.781
  475    HD2  LYS  56           2HD      LYS  56 -12.025  -8.291  18.146
  476    HD3  LYS  56           1HD      LYS  56 -13.403  -9.315  18.544
  477    HE2  LYS  56           2HE      LYS  56 -11.281  -8.435  20.497
  478    HE3  LYS  56           1HE      LYS  56 -12.858  -7.668  20.310
  479    HZ1  LYS  56           3HZ      LYS  56 -12.341 -10.462  21.182
  480    HZ2  LYS  56           1HZ      LYS  56 -13.882  -9.813  20.899
  481    HZ3  LYS  56           2HZ      LYS  56 -12.915  -9.193  22.143
  482    H1   GLY   2           1HT      GLY   2  25.077  21.124   8.705
  483    H2   GLY   2           2HT      GLY   2  25.419  21.390  10.344
  484    H3   GLY   2           3HT      GLY   2  23.822  21.451   9.792
  485    HA2  GLY   2           1HA      GLY   2  25.526  19.026   9.744
  486    HA3  GLY   2           2HA      GLY   2  24.330  19.379  10.984
  487    H    ARG   3           H        ARG   3  22.585  18.219  10.716
  488    HA   ARG   3           HA       ARG   3  20.715  17.300   9.823
  489    HB2  ARG   3           2HB      ARG   3  20.478  19.538   8.719
  490    HB3  ARG   3           1HB      ARG   3  21.313  18.879   7.319
  491    HG2  ARG   3           2HG      ARG   3  18.962  18.846   6.898
  492    HG3  ARG   3           1HG      ARG   3  19.511  17.182   7.110
  493    HD2  ARG   3           2HD      ARG   3  17.386  17.636   8.275
  494    HD3  ARG   3           1HD      ARG   3  18.674  17.160   9.384
  495    HE   ARG   3           HE       ARG   3  18.757  19.908   9.332
  496   HH11  ARG   3          1HH1      ARG   3  16.319  17.510  10.134
  497   HH12  ARG   3          2HH1      ARG   3  15.512  18.535  11.280
  498   HH21  ARG   3          1HH2      ARG   3  17.700  21.243  10.847
  499   HH22  ARG   3          2HH2      ARG   3  16.309  20.641  11.701
  500    HA   PRO   4           HA       PRO   4  22.815  13.816   7.827
  501    HB2  PRO   4           2HB      PRO   4  20.652  12.160   8.303
  502    HB3  PRO   4           1HB      PRO   4  22.006  12.389   9.412
  503    HG2  PRO   4           2HG      PRO   4  19.291  13.627   9.450
  504    HG3  PRO   4           1HG      PRO   4  20.292  13.068  10.803
  505    HD2  PRO   4           2HD      PRO   4  20.051  15.677  10.187
  506    HD3  PRO   4           1HD      PRO   4  21.566  14.996  10.817
  507    H    TYR   5           H        TYR   5  22.153  12.415   6.021
  508    HA   TYR   5           HA       TYR   5  20.794  14.037   4.051
  509    HB2  TYR   5           2HB      TYR   5  21.961  11.276   3.657
  510    HB3  TYR   5           1HB      TYR   5  21.671  12.507   2.433
  511    HD1  TYR   5           1HD      TYR   5  23.055  14.655   2.559
  512    HD2  TYR   5           2HD      TYR   5  24.024  11.140   4.744
  513    HE1  TYR   5           1HE      TYR   5  25.356  15.472   2.841
  514    HE2  TYR   5           2HE      TYR   5  26.323  11.948   5.038
  515    HH   TYR   5           HH       TYR   5  27.883  13.500   3.920
  516    H    LYS   6           H        LYS   6  20.154  11.353   6.054
  517    HA   LYS   6           HA       LYS   6  17.733  10.616   4.617
  518    HB2  LYS   6           2HB      LYS   6  17.551   8.990   6.630
  519    HB3  LYS   6           1HB      LYS   6  18.788   8.700   5.417
  520    HG2  LYS   6           2HG      LYS   6  20.454   9.763   6.866
  521    HG3  LYS   6           1HG      LYS   6  19.209  10.027   8.090
  522    HD2  LYS   6           2HD      LYS   6  18.899   7.661   8.366
  523    HD3  LYS   6           1HD      LYS   6  19.976   7.317   7.011
  524    HE2  LYS   6           2HE      LYS   6  20.815   8.710   9.547
  525    HE3  LYS   6           1HE      LYS   6  21.022   6.986   9.245
  526    HZ1  LYS   6           3HZ      LYS   6  23.046   8.191   8.764
  527    HZ2  LYS   6           1HZ      LYS   6  22.231   9.187   7.658
  528    HZ3  LYS   6           2HZ      LYS   6  22.406   7.533   7.335
  529    H    LEU   7           H        LEU   7  17.854  13.231   5.591
  530    HA   LEU   7           HA       LEU   7  16.635  14.805   6.644
  531    HB2  LEU   7           2HB      LEU   7  14.653  12.553   6.974
  532    HB3  LEU   7           1HB      LEU   7  14.308  14.243   7.282
  533    HG   LEU   7           HG       LEU   7  15.027  13.042   4.604
  534   HD11  LEU   7          1HD1      LEU   7  12.431  14.136   5.678
  535   HD12  LEU   7          2HD1      LEU   7  12.788  12.449   5.310
  536   HD13  LEU   7          3HD1      LEU   7  12.720  13.640   4.010
  537   HD21  LEU   7          3HD2      LEU   7  14.330  15.879   5.362
  538   HD22  LEU   7          1HD2      LEU   7  14.499  15.272   3.714
  539   HD23  LEU   7          2HD2      LEU   7  15.894  15.300   4.791
  540    H    LEU   8           H        LEU   8  15.263  12.315   8.690
  541    HA   LEU   8           HA       LEU   8  17.090  12.940  10.867
  542    HB2  LEU   8           2HB      LEU   8  14.127  13.457  10.936
  543    HB3  LEU   8           1HB      LEU   8  15.040  13.164  12.403
  544    HG   LEU   8           HG       LEU   8  15.615  15.405  10.462
  545   HD11  LEU   8          1HD1      LEU   8  14.602  16.857  12.148
  546   HD12  LEU   8          2HD1      LEU   8  14.154  15.441  13.101
  547   HD13  LEU   8          3HD1      LEU   8  13.436  15.698  11.509
  548   HD21  LEU   8          3HD2      LEU   8  16.641  14.826  13.241
  549   HD22  LEU   8          1HD2      LEU   8  16.991  16.276  12.298
  550   HD23  LEU   8          2HD2      LEU   8  17.562  14.703  11.741
  551    H    ASN   9           H        ASN   9  17.071  10.658   9.450
  552    HA   ASN   9           HA       ASN   9  17.122   8.405   9.694
  553    HB2  ASN   9           2HB      ASN   9  16.268   9.056  12.520
  554    HB3  ASN   9           1HB      ASN   9  16.681   7.434  11.969
  555   HD21  ASN   9          1HD2      ASN   9  17.940   9.206  13.973
  556   HD22  ASN   9          2HD2      ASN   9  19.597   9.341  13.491
  557    H    GLY  10           H        GLY  10  14.686   9.986   9.001
  558    HA2  GLY  10           2HA      GLY  10  12.902   7.772   8.659
  559    HA3  GLY  10           1HA      GLY  10  12.294   8.961   9.807
  560    H    ILE  11           H        ILE  11  11.410   8.177   7.029
  561    HA   ILE  11           HA       ILE  11  11.727  10.823   5.748
  562    HB   ILE  11           HB       ILE  11  11.371   8.282   4.169
  563   HG12  ILE  11          2HG1      ILE  11  13.446   8.040   5.470
  564   HG13  ILE  11          1HG1      ILE  11  13.777   8.233   3.752
  565   HG21  ILE  11          1HG2      ILE  11  12.299   9.633   2.347
  566   HG22  ILE  11          2HG2      ILE  11  12.432  11.008   3.443
  567   HG23  ILE  11          3HG2      ILE  11  10.844  10.359   3.030
  568   HD11  ILE  11          3HD1      ILE  11  14.389  10.541   4.096
  569   HD12  ILE  11          1HD1      ILE  11  15.331   9.496   5.161
  570   HD13  ILE  11          2HD1      ILE  11  13.971  10.423   5.806
  571    H    LYS  12           H        LYS  12   9.928  11.568   4.534
  572    HA   LYS  12           HA       LYS  12   7.429  10.570   5.684
  573    HB2  LYS  12           2HB      LYS  12   7.942  12.876   6.185
  574    HB3  LYS  12           1HB      LYS  12   8.183  13.237   4.484
  575    HG2  LYS  12           2HG      LYS  12   6.056  14.096   5.333
  576    HG3  LYS  12           1HG      LYS  12   5.829  12.916   4.042
  577    HD2  LYS  12           2HD      LYS  12   5.237  11.215   5.631
  578    HD3  LYS  12           1HD      LYS  12   5.646  12.272   6.982
  579    HE2  LYS  12           2HE      LYS  12   3.218  12.118   6.605
  580    HE3  LYS  12           1HE      LYS  12   3.829  13.762   6.413
  581    HZ1  LYS  12           3HZ      LYS  12   2.241  13.124   4.679
  582    HZ2  LYS  12           1HZ      LYS  12   3.284  11.886   4.177
  583    HZ3  LYS  12           2HZ      LYS  12   3.763  13.505   4.037
  584    H    LEU  13           H        LEU  13   5.931   9.671   4.499
  585    HA   LEU  13           HA       LEU  13   5.973   9.976   1.586
  586    HB2  LEU  13           2HB      LEU  13   5.532   7.556   1.341
  587    HB3  LEU  13           1HB      LEU  13   7.120   7.904   1.990
  588    HG   LEU  13           HG       LEU  13   4.854   7.221   3.838
  589   HD11  LEU  13          1HD1      LEU  13   4.914   5.459   2.139
  590   HD12  LEU  13          2HD1      LEU  13   5.493   4.872   3.697
  591   HD13  LEU  13          3HD1      LEU  13   6.643   5.252   2.416
  592   HD21  LEU  13          3HD2      LEU  13   6.926   8.092   4.805
  593   HD22  LEU  13          1HD2      LEU  13   7.845   6.834   3.977
  594   HD23  LEU  13          2HD2      LEU  13   6.688   6.397   5.235
  595    H    GLY  14           H        GLY  14   3.946   9.070   0.591
  596    HA2  GLY  14           2HA      GLY  14   1.659   9.121   2.402
  597    HA3  GLY  14           1HA      GLY  14   1.704  10.316   1.111
  598    H    VAL  15           H        VAL  15   0.282   7.561   1.897
  599    HA   VAL  15           HA       VAL  15   0.447   6.402  -0.801
  600    HB   VAL  15           HB       VAL  15  -0.569   5.051   1.724
  601   HG11  VAL  15          1HG1      VAL  15   0.028   3.932  -1.008
  602   HG12  VAL  15          2HG1      VAL  15  -1.576   4.170  -0.311
  603   HG13  VAL  15          3HG1      VAL  15  -0.465   3.002   0.407
  604   HG21  VAL  15          3HG2      VAL  15   2.066   4.706   0.307
  605   HG22  VAL  15          1HG2      VAL  15   1.499   3.776   1.694
  606   HG23  VAL  15          2HG2      VAL  15   1.827   5.502   1.863
  607    H    TYR  16           H        TYR  16  -1.455   6.000  -1.956
  608    HA   TYR  16           HA       TYR  16  -3.886   7.290  -0.875
  609    HB2  TYR  16           2HB      TYR  16  -2.674   8.151  -3.052
  610    HB3  TYR  16           1HB      TYR  16  -3.463   6.756  -3.784
  611    HD1  TYR  16           1HD      TYR  16  -4.782   8.966  -1.135
  612    HD2  TYR  16           2HD      TYR  16  -5.056   7.749  -5.197
  613    HE1  TYR  16           1HE      TYR  16  -6.823  10.294  -1.380
  614    HE2  TYR  16           2HE      TYR  16  -7.109   9.077  -5.461
  615    HH   TYR  16           HH       TYR  16  -8.106  11.392  -3.183
  616    H    ILE  17           H        ILE  17  -5.529   5.914  -0.441
  617    HA   ILE  17           HA       ILE  17  -5.735   3.453  -1.996
  618    HB   ILE  17           HB       ILE  17  -5.917   2.001  -0.066
  619   HG12  ILE  17          2HG1      ILE  17  -5.186   4.420   1.597
  620   HG13  ILE  17          1HG1      ILE  17  -6.761   3.629   1.571
  621   HG21  ILE  17          1HG2      ILE  17  -3.736   2.243  -1.073
  622   HG22  ILE  17          2HG2      ILE  17  -3.581   2.020   0.671
  623   HG23  ILE  17          3HG2      ILE  17  -3.384   3.624  -0.034
  624   HD11  ILE  17          3HD1      ILE  17  -5.567   2.910   3.514
  625   HD12  ILE  17          1HD1      ILE  17  -4.161   2.467   2.539
  626   HD13  ILE  17          2HD1      ILE  17  -5.661   1.556   2.381
  627    HA   PRO  18           HA       PRO  18 -10.082   3.853  -2.027
  628    HB2  PRO  18           2HB      PRO  18 -10.186   1.061  -0.984
  629    HB3  PRO  18           1HB      PRO  18 -10.962   1.758  -2.410
  630    HG2  PRO  18           2HG      PRO  18  -8.830   0.208  -2.673
  631    HG3  PRO  18           1HG      PRO  18  -9.018   1.659  -3.679
  632    HD2  PRO  18           2HD      PRO  18  -7.262   1.206  -1.307
  633    HD3  PRO  18           1HD      PRO  18  -6.953   2.142  -2.786
  634    H    GLN  19           H        GLN  19 -11.871   4.206  -0.767
  635    HA   GLN  19           HA       GLN  19 -11.430   4.758   1.985
  636    HB2  GLN  19           2HB      GLN  19 -13.758   5.436   2.051
  637    HB3  GLN  19           1HB      GLN  19 -13.004   6.053   0.588
  638    HG2  GLN  19           2HG      GLN  19 -14.250   4.743  -0.778
  639    HG3  GLN  19           1HG      GLN  19 -14.376   3.438   0.405
  640   HE21  GLN  19          1HE2      GLN  19 -15.926   3.586   2.041
  641   HE22  GLN  19          2HE2      GLN  19 -17.296   4.635   1.912
  642    H    GLU  20           H        GLU  20 -12.890   2.098   0.244
  643    HA   GLU  20           HA       GLU  20 -14.164   0.692   2.284
  644    HB2  GLU  20           2HB      GLU  20 -12.510  -0.445   0.018
  645    HB3  GLU  20           1HB      GLU  20 -13.737  -1.311   0.930
  646    HG2  GLU  20           2HG      GLU  20 -15.478  -0.085  -0.019
  647    HG3  GLU  20           1HG      GLU  20 -14.393   1.182  -0.590
  648    H    TRP  21           H        TRP  21 -10.793   1.005   1.483
  649    HA   TRP  21           HA       TRP  21  -9.843  -1.006   3.276
  650    HB2  TRP  21           2HB      TRP  21  -8.573   1.241   1.736
  651    HB3  TRP  21           1HB      TRP  21  -7.650   0.319   2.913
  652    HD1  TRP  21           HD       TRP  21 -10.060  -1.777   0.891
  653    HE1  TRP  21           1HE      TRP  21  -8.703  -3.134  -0.840
  654    HE3  TRP  21           3HE      TRP  21  -5.598   0.559   1.433
  655    HZ2  TRP  21           2HZ      TRP  21  -6.007  -3.178  -1.825
  656    HZ3  TRP  21           3HZ      TRP  21  -3.691  -0.168   0.103
  657    HH2  TRP  21           HH       TRP  21  -3.867  -1.975  -1.476
  658    H    HIS  22           H        HIS  22 -10.124   2.512   3.290
  659    HA   HIS  22           HA       HIS  22  -8.884   3.025   5.720
  660    HB2  HIS  22           2HB      HIS  22 -11.073   4.445   4.230
  661    HB3  HIS  22           1HB      HIS  22 -10.522   5.026   5.800
  662    HD1  HIS  22           1HD      HIS  22  -8.535   6.509   5.804
  663    HD2  HIS  22           2HD      HIS  22  -8.907   4.396   2.237
  664    HE1  HIS  22           1HE      HIS  22  -6.736   7.407   4.289
  665    HE2  HIS  22           2HE      HIS  22  -7.084   6.229   2.088
  666    H    ASP  23           H        ASP  23 -12.279   2.214   5.064
  667    HA   ASP  23           HA       ASP  23 -13.256   2.465   7.667
  668    HB2  ASP  23           2HB      ASP  23 -14.747   2.194   5.775
  669    HB3  ASP  23           1HB      ASP  23 -14.110   0.585   5.457
  670    H    ARG  24           H        ARG  24 -11.985  -0.444   6.032
  671    HA   ARG  24           HA       ARG  24 -12.347  -2.110   8.320
  672    HB2  ARG  24           2HB      ARG  24 -11.050  -2.392   5.661
  673    HB3  ARG  24           1HB      ARG  24 -10.531  -3.500   6.920
  674    HG2  ARG  24           2HG      ARG  24 -12.283  -4.464   5.539
  675    HG3  ARG  24           1HG      ARG  24 -12.811  -4.274   7.208
  676    HD2  ARG  24           2HD      ARG  24 -14.198  -2.462   6.677
  677    HD3  ARG  24           1HD      ARG  24 -13.432  -2.224   5.105
  678    HE   ARG  24           HE       ARG  24 -14.460  -4.750   4.970
  679   HH11  ARG  24          1HH1      ARG  24 -15.888  -1.638   5.785
  680   HH12  ARG  24          2HH1      ARG  24 -17.420  -2.029   5.053
  681   HH21  ARG  24          1HH2      ARG  24 -16.466  -5.240   4.017
  682   HH22  ARG  24          2HH2      ARG  24 -17.742  -4.058   4.041
  683    H    LEU  25           H        LEU  25  -9.576  -0.381   6.976
  684    HA   LEU  25           HA       LEU  25  -7.640  -1.442   8.742
  685    HB2  LEU  25           2HB      LEU  25  -7.673   1.150   7.196
  686    HB3  LEU  25           1HB      LEU  25  -6.279   0.538   8.065
  687    HG   LEU  25           HG       LEU  25  -7.604  -0.791   5.696
  688   HD11  LEU  25          1HD1      LEU  25  -4.930   0.573   5.971
  689   HD12  LEU  25          2HD1      LEU  25  -6.333   1.210   5.115
  690   HD13  LEU  25          3HD1      LEU  25  -5.531  -0.251   4.532
  691   HD21  LEU  25          3HD2      LEU  25  -5.154  -1.605   7.260
  692   HD22  LEU  25          1HD2      LEU  25  -5.752  -2.374   5.792
  693   HD23  LEU  25          2HD2      LEU  25  -6.711  -2.435   7.272
  694    H    MET  26           H        MET  26  -9.709   1.426   8.895
  695    HA   MET  26           HA       MET  26  -8.451   2.586  11.127
  696    HB2  MET  26           2HB      MET  26 -11.223   2.896  10.014
  697    HB3  MET  26           1HB      MET  26 -10.704   3.755  11.458
  698    HG2  MET  26           2HG      MET  26  -8.843   4.730  10.138
  699    HG3  MET  26           1HG      MET  26  -9.515   3.962   8.699
  700    HE1  MET  26           3HE      MET  26 -12.664   4.270   9.359
  701    HE2  MET  26           1HE      MET  26 -12.000   4.570   7.752
  702    HE3  MET  26           2HE      MET  26 -13.044   5.771   8.513
  703    H    GLU  27           H        GLU  27 -11.085   0.204  10.923
  704    HA   GLU  27           HA       GLU  27 -11.619   0.260  13.707
  705    HB2  GLU  27           2HB      GLU  27 -13.158  -0.772  12.064
  706    HB3  GLU  27           1HB      GLU  27 -11.994  -2.071  11.824
  707    HG2  GLU  27           2HG      GLU  27 -12.268  -2.853  14.038
  708    HG3  GLU  27           1HG      GLU  27 -13.171  -1.414  14.506
  709    H    ILE  28           H        ILE  28  -9.421  -1.707  11.751
  710    HA   ILE  28           HA       ILE  28  -8.389  -3.264  13.881
  711    HB   ILE  28           HB       ILE  28  -7.019  -2.433  11.310
  712   HG12  ILE  28          2HG1      ILE  28  -8.560  -4.952  11.976
  713   HG13  ILE  28          1HG1      ILE  28  -9.165  -3.633  10.979
  714   HG21  ILE  28          1HG2      ILE  28  -6.379  -4.655  13.247
  715   HG22  ILE  28          2HG2      ILE  28  -5.407  -3.215  12.936
  716   HG23  ILE  28          3HG2      ILE  28  -5.617  -4.428  11.673
  717   HD11  ILE  28          3HD1      ILE  28  -8.390  -5.496   9.626
  718   HD12  ILE  28          1HD1      ILE  28  -6.789  -5.369  10.351
  719   HD13  ILE  28          2HD1      ILE  28  -7.407  -4.058   9.347
  720    H    ALA  29           H        ALA  29  -7.654  -0.117  12.605
  721    HA   ALA  29           HA       ALA  29  -5.236   0.394  13.939
  722    HB1  ALA  29           1HB      ALA  29  -6.048   1.684  12.021
  723    HB2  ALA  29           2HB      ALA  29  -5.662   2.728  13.390
  724    HB3  ALA  29           3HB      ALA  29  -7.343   2.348  13.017
  725    H    LYS  30           H        LYS  30  -8.561   0.574  14.976
  726    HA   LYS  30           HA       LYS  30  -8.010   2.115  17.350
  727    HB2  LYS  30           2HB      LYS  30 -10.419   0.396  16.704
  728    HB3  LYS  30           1HB      LYS  30 -10.330   1.643  17.942
  729    HG2  LYS  30           2HG      LYS  30 -10.222   3.368  16.322
  730    HG3  LYS  30           1HG      LYS  30  -9.977   2.212  15.011
  731    HD2  LYS  30           2HD      LYS  30 -12.246   1.279  15.530
  732    HD3  LYS  30           1HD      LYS  30 -12.471   2.619  16.659
  733    HE2  LYS  30           2HE      LYS  30 -12.223   4.219  14.865
  734    HE3  LYS  30           1HE      LYS  30 -11.856   2.929  13.721
  735    HZ1  LYS  30           3HZ      LYS  30 -14.439   3.383  15.120
  736    HZ2  LYS  30           1HZ      LYS  30 -14.108   2.045  14.132
  737    HZ3  LYS  30           2HZ      LYS  30 -14.127   3.604  13.465
  738    H    GLU  31           H        GLU  31  -8.308  -1.203  16.415
  739    HA   GLU  31           HA       GLU  31  -8.303  -2.428  18.938
  740    HB2  GLU  31           2HB      GLU  31  -8.884  -3.576  16.844
  741    HB3  GLU  31           1HB      GLU  31  -7.223  -3.429  16.295
  742    HG2  GLU  31           2HG      GLU  31  -7.620  -5.658  17.078
  743    HG3  GLU  31           1HG      GLU  31  -6.504  -4.842  18.173
  744    H    LYS  32           H        LYS  32  -5.655  -1.492  16.775
  745    HA   LYS  32           HA       LYS  32  -3.710  -2.551  18.676
  746    HB2  LYS  32           2HB      LYS  32  -3.715  -1.979  15.789
  747    HB3  LYS  32           1HB      LYS  32  -2.208  -1.610  16.615
  748    HG2  LYS  32           2HG      LYS  32  -1.960  -3.803  15.845
  749    HG3  LYS  32           1HG      LYS  32  -2.313  -3.958  17.564
  750    HD2  LYS  32           2HD      LYS  32  -4.666  -4.440  17.012
  751    HD3  LYS  32           1HD      LYS  32  -4.266  -4.341  15.294
  752    HE2  LYS  32           2HE      LYS  32  -2.565  -6.147  15.695
  753    HE3  LYS  32           1HE      LYS  32  -3.235  -6.325  17.314
  754    HZ1  LYS  32           3HZ      LYS  32  -4.698  -6.735  14.758
  755    HZ2  LYS  32           1HZ      LYS  32  -5.380  -6.868  16.306
  756    HZ3  LYS  32           2HZ      LYS  32  -4.172  -7.949  15.816
  757    H    ASN  33           H        ASN  33  -5.191   0.371  18.253
  758    HA   ASN  33           HA       ASN  33  -4.719   2.550  18.710
  759    HB2  ASN  33           2HB      ASN  33  -2.668   1.174  20.435
  760    HB3  ASN  33           1HB      ASN  33  -2.756   2.929  20.358
  761   HD21  ASN  33          1HD2      ASN  33  -3.322   3.130  22.496
  762   HD22  ASN  33          2HD2      ASN  33  -4.886   2.694  23.096
  763    H    LEU  34           H        LEU  34  -3.923   1.768  16.332
  764    HA   LEU  34           HA       LEU  34  -1.379   3.155  15.837
  765    HB2  LEU  34           2HB      LEU  34  -2.252   0.503  14.675
  766    HB3  LEU  34           1HB      LEU  34  -0.918   1.455  14.045
  767    HG   LEU  34           HG       LEU  34  -1.049   0.283  16.825
  768   HD11  LEU  34          1HD1      LEU  34   0.559  -0.574  14.425
  769   HD12  LEU  34          2HD1      LEU  34  -0.831  -1.431  15.092
  770   HD13  LEU  34          3HD1      LEU  34   0.647  -1.271  16.042
  771   HD21  LEU  34          3HD2      LEU  34   1.312   0.936  16.946
  772   HD22  LEU  34          1HD2      LEU  34   0.258   2.334  16.737
  773   HD23  LEU  34          2HD2      LEU  34   1.173   1.708  15.367
  774    H    THR  35           H        THR  35  -1.212   3.673  13.392
  775    HA   THR  35           HA       THR  35  -3.898   4.429  12.452
  776    HB   THR  35           HB       THR  35  -2.773   5.991  10.931
  777    HG1  THR  35           1HG      THR  35  -0.352   5.104  12.184
  778   HG21  THR  35          3HG2      THR  35  -3.348   6.768  13.185
  779   HG22  THR  35          1HG2      THR  35  -1.881   7.551  12.591
  780   HG23  THR  35          2HG2      THR  35  -1.767   6.243  13.768
  781    H    LEU  36           H        LEU  36  -4.341   4.175  10.117
  782    HA   LEU  36           HA       LEU  36  -3.683   1.655   9.062
  783    HB2  LEU  36           2HB      LEU  36  -4.728   2.359   7.022
  784    HB3  LEU  36           1HB      LEU  36  -5.668   2.935   8.379
  785    HG   LEU  36           HG       LEU  36  -3.714   4.717   6.945
  786   HD11  LEU  36          1HD1      LEU  36  -5.620   5.540   5.633
  787   HD12  LEU  36          2HD1      LEU  36  -6.626   4.259   6.310
  788   HD13  LEU  36          3HD1      LEU  36  -5.254   3.851   5.281
  789   HD21  LEU  36          3HD2      LEU  36  -5.224   6.481   7.802
  790   HD22  LEU  36          1HD2      LEU  36  -4.457   5.548   9.086
  791   HD23  LEU  36          2HD2      LEU  36  -6.141   5.243   8.659
  792    H    SER  37           H        SER  37  -2.138   4.759   8.754
  793    HA   SER  37           HA       SER  37  -0.245   4.180   6.803
  794    HB2  SER  37           2HB      SER  37   0.204   5.771   9.341
  795    HB3  SER  37           1HB      SER  37   1.078   5.936   7.816
  796    HG   SER  37           HG       SER  37  -0.393   7.468   7.605
  797    H    ASP  38           H        ASP  38  -0.210   3.550  10.297
  798    HA   ASP  38           HA       ASP  38   2.311   2.270  10.375
  799    HB2  ASP  38           2HB      ASP  38  -0.069   1.978  12.219
  800    HB3  ASP  38           1HB      ASP  38   1.527   1.310  12.538
  801    H    VAL  39           H        VAL  39  -0.997   1.004  10.189
  802    HA   VAL  39           HA       VAL  39  -0.315  -1.718  10.265
  803    HB   VAL  39           HB       VAL  39  -2.713  -0.456   8.914
  804   HG11  VAL  39          1HG1      VAL  39  -2.416  -2.759   8.227
  805   HG12  VAL  39          2HG1      VAL  39  -3.803  -2.624   9.308
  806   HG13  VAL  39          3HG1      VAL  39  -2.275  -3.267   9.910
  807   HG21  VAL  39          3HG2      VAL  39  -2.524   0.231  11.251
  808   HG22  VAL  39          1HG2      VAL  39  -2.395  -1.457  11.745
  809   HG23  VAL  39          2HG2      VAL  39  -3.889  -0.862  11.019
  810    H    CYS  40           H        CYS  40  -0.458   0.574   7.622
  811    HA   CYS  40           HA       CYS  40  -0.368  -1.297   5.516
  812    HB2  CYS  40           2HB      CYS  40  -0.902   1.280   5.540
  813    HB3  CYS  40           1HB      CYS  40   0.823   1.443   5.230
  814    HG   CYS  40           HG       CYS  40  -0.256  -0.775   3.149
  815    H    ARG  41           H        ARG  41   2.279   0.708   6.905
  816    HA   ARG  41           HA       ARG  41   4.301  -0.712   5.537
  817    HB2  ARG  41           2HB      ARG  41   5.865   0.397   7.164
  818    HB3  ARG  41           1HB      ARG  41   4.856   1.472   6.215
  819    HG2  ARG  41           2HG      ARG  41   4.746   2.436   8.286
  820    HG3  ARG  41           1HG      ARG  41   3.308   1.417   8.308
  821    HD2  ARG  41           2HD      ARG  41   4.486  -0.275   9.578
  822    HD3  ARG  41           1HD      ARG  41   5.981   0.664   9.480
  823    HE   ARG  41           HE       ARG  41   3.908   2.214  10.635
  824   HH11  ARG  41          1HH1      ARG  41   6.126  -0.385  11.396
  825   HH12  ARG  41          2HH1      ARG  41   6.115  -0.070  13.104
  826   HH21  ARG  41          1HH2      ARG  41   3.879   2.645  12.872
  827   HH22  ARG  41          2HH2      ARG  41   4.837   1.654  13.938
  828    H    LEU  42           H        LEU  42   2.689  -1.316   8.589
  829    HA   LEU  42           HA       LEU  42   4.526  -3.265   9.546
  830    HB2  LEU  42           2HB      LEU  42   1.595  -2.800  10.059
  831    HB3  LEU  42           1HB      LEU  42   2.465  -4.132  10.795
  832    HG   LEU  42           HG       LEU  42   3.132  -1.208  11.162
  833   HD11  LEU  42          1HD1      LEU  42   1.017  -1.833  12.222
  834   HD12  LEU  42          2HD1      LEU  42   2.268  -1.510  13.422
  835   HD13  LEU  42          3HD1      LEU  42   1.821  -3.173  13.040
  836   HD21  LEU  42          3HD2      LEU  42   4.637  -2.019  12.911
  837   HD22  LEU  42          1HD2      LEU  42   5.086  -2.663  11.332
  838   HD23  LEU  42          2HD2      LEU  42   4.235  -3.684  12.491
  839    H    ALA  43           H        ALA  43   1.825  -3.323   7.338
  840    HA   ALA  43           HA       ALA  43   1.787  -6.149   7.034
  841    HB1  ALA  43           1HB      ALA  43   0.747  -4.024   5.174
  842    HB2  ALA  43           2HB      ALA  43  -0.151  -4.752   6.506
  843    HB3  ALA  43           3HB      ALA  43   0.342  -5.740   5.132
  844    H    ILE  44           H        ILE  44   3.728  -3.584   5.760
  845    HA   ILE  44           HA       ILE  44   4.803  -4.992   3.546
  846    HB   ILE  44           HB       ILE  44   6.079  -2.840   5.250
  847   HG12  ILE  44          2HG1      ILE  44   4.680  -2.713   2.569
  848   HG13  ILE  44          1HG1      ILE  44   4.050  -2.098   4.094
  849   HG21  ILE  44          1HG2      ILE  44   7.784  -4.145   4.102
  850   HG22  ILE  44          2HG2      ILE  44   7.653  -2.533   3.397
  851   HG23  ILE  44          3HG2      ILE  44   6.942  -3.919   2.569
  852   HD11  ILE  44          3HD1      ILE  44   5.797  -0.442   4.191
  853   HD12  ILE  44          1HD1      ILE  44   4.944  -0.325   2.655
  854   HD13  ILE  44          2HD1      ILE  44   6.535  -1.086   2.726
  855    H    LYS  45           H        LYS  45   5.682  -4.738   6.955
  856    HA   LYS  45           HA       LYS  45   7.918  -6.400   6.956
  857    HB2  LYS  45           2HB      LYS  45   7.099  -5.043   8.889
  858    HB3  LYS  45           1HB      LYS  45   5.806  -6.210   9.110
  859    HG2  LYS  45           2HG      LYS  45   7.429  -6.760  10.703
  860    HG3  LYS  45           1HG      LYS  45   7.612  -7.954   9.421
  861    HD2  LYS  45           2HD      LYS  45   9.257  -5.512   9.186
  862    HD3  LYS  45           1HD      LYS  45   9.672  -6.611  10.500
  863    HE2  LYS  45           2HE      LYS  45   9.379  -7.444   7.619
  864    HE3  LYS  45           1HE      LYS  45  10.915  -7.019   8.371
  865    HZ1  LYS  45           3HZ      LYS  45   9.157  -9.333   8.968
  866    HZ2  LYS  45           1HZ      LYS  45  10.362  -8.819  10.049
  867    HZ3  LYS  45           2HZ      LYS  45  10.786  -9.334   8.491
  868    H    GLU  46           H        GLU  46   4.481  -7.134   7.065
  869    HA   GLU  46           HA       GLU  46   4.702  -9.945   7.440
  870    HB2  GLU  46           2HB      GLU  46   2.645  -8.533   7.844
  871    HB3  GLU  46           1HB      GLU  46   2.471  -8.391   6.103
  872    HG2  GLU  46           2HG      GLU  46   1.022 -10.091   6.557
  873    HG3  GLU  46           1HG      GLU  46   2.486 -10.993   6.174
  874    H    TYR  47           H        TYR  47   4.361  -7.813   4.675
  875    HA   TYR  47           HA       TYR  47   4.067  -9.689   2.637
  876    HB2  TYR  47           2HB      TYR  47   3.646  -7.243   2.465
  877    HB3  TYR  47           1HB      TYR  47   5.378  -6.964   2.520
  878    HD1  TYR  47           2HD      TYR  47   2.584  -8.163   0.484
  879    HD2  TYR  47           1HD      TYR  47   6.759  -7.369   0.576
  880    HE1  TYR  47           2HE      TYR  47   2.654  -8.295  -1.970
  881    HE2  TYR  47           1HE      TYR  47   6.840  -7.487  -1.877
  882    HH   TYR  47           HH       TYR  47   4.124  -7.391  -3.816
  883    H    LEU  48           H        LEU  48   6.924  -8.247   4.094
  884    HA   LEU  48           HA       LEU  48   8.844  -9.472   2.419
  885    HB2  LEU  48           2HB      LEU  48   9.108  -8.533   5.276
  886    HB3  LEU  48           1HB      LEU  48  10.445  -8.930   4.213
  887    HG   LEU  48           HG       LEU  48   8.497  -6.656   3.817
  888   HD11  LEU  48          1HD1      LEU  48  11.410  -6.655   4.593
  889   HD12  LEU  48          2HD1      LEU  48  10.055  -6.284   5.659
  890   HD13  LEU  48          3HD1      LEU  48  10.414  -5.230   4.292
  891   HD21  LEU  48          3HD2      LEU  48  10.921  -7.474   2.218
  892   HD22  LEU  48          1HD2      LEU  48   9.995  -5.990   1.989
  893   HD23  LEU  48          2HD2      LEU  48   9.243  -7.556   1.686
  894    H    ASP  49           H        ASP  49   7.600 -10.333   5.628
  895    HA   ASP  49           HA       ASP  49   9.238 -12.587   5.992
  896    HB2  ASP  49           2HB      ASP  49   6.709 -11.631   7.263
  897    HB3  ASP  49           1HB      ASP  49   7.362 -13.216   7.679
  898    H    ASN  50           H        ASN  50   6.222 -12.219   4.279
  899    HA   ASN  50           HA       ASN  50   5.550 -14.994   4.234
  900    HB2  ASN  50           2HB      ASN  50   4.733 -12.689   2.455
  901    HB3  ASN  50           1HB      ASN  50   4.102 -14.319   2.268
  902   HD21  ASN  50          1HD2      ASN  50   2.779 -11.790   2.898
  903   HD22  ASN  50          2HD2      ASN  50   1.939 -12.059   4.392
  904    H    HIS  51           H        HIS  51   7.474 -12.877   2.210
  905    HA   HIS  51           HA       HIS  51   7.895 -15.028   0.261
  906    HB2  HIS  51           2HB      HIS  51   8.832 -12.152   0.144
  907    HB3  HIS  51           1HB      HIS  51   8.905 -13.328  -1.161
  908    HD1  HIS  51           1HD      HIS  51   7.476 -10.724  -1.677
  909    HD2  HIS  51           2HD      HIS  51   5.549 -14.076  -0.170
  910    HE1  HIS  51           1HE      HIS  51   5.050 -10.408  -2.227
  911    HE2  HIS  51           2HE      HIS  51   3.881 -12.306  -1.060
  912    H    ASP  52           H        ASP  52   9.181 -14.113   3.086
  913    HA   ASP  52           HA       ASP  52  11.149 -14.180   4.166
  914    HB2  ASP  52           2HB      ASP  52  11.267 -16.468   3.417
  915    HB3  ASP  52           1HB      ASP  52  11.935 -15.972   1.866
  916    H    LYS  53           H        LYS  53  12.773 -14.446   1.049
  917    HA   LYS  53           HA       LYS  53  13.425 -11.609   1.046
  918    HB2  LYS  53           2HB      LYS  53  15.566 -13.748   1.202
  919    HB3  LYS  53           1HB      LYS  53  15.863 -12.050   0.867
  920    HG2  LYS  53           2HG      LYS  53  14.948 -11.493   3.094
  921    HG3  LYS  53           1HG      LYS  53  14.781 -13.218   3.423
  922    HD2  LYS  53           2HD      LYS  53  17.220 -13.475   3.046
  923    HD3  LYS  53           1HD      LYS  53  17.338 -11.725   2.856
  924    HE2  LYS  53           2HE      LYS  53  16.450 -11.441   5.130
  925    HE3  LYS  53           1HE      LYS  53  16.398 -13.192   5.315
  926    HZ1  LYS  53           3HZ      LYS  53  18.379 -12.451   6.329
  927    HZ2  LYS  53           1HZ      LYS  53  18.796 -11.474   5.004
  928    HZ3  LYS  53           2HZ      LYS  53  18.849 -13.160   4.861
  929    H    GLN  54           H        GLN  54  14.518 -14.665  -0.395
  930    HA   GLN  54           HA       GLN  54  14.566 -15.454  -2.511
  931    HB2  GLN  54           2HB      GLN  54  12.737 -13.134  -3.139
  932    HB3  GLN  54           1HB      GLN  54  13.163 -14.412  -4.270
  933    HG2  GLN  54           2HG      GLN  54  11.721 -14.789  -1.656
  934    HG3  GLN  54           1HG      GLN  54  10.977 -14.783  -3.257
  935   HE21  GLN  54          1HE2      GLN  54  11.296 -16.531  -4.627
  936   HE22  GLN  54          2HE2      GLN  54  11.918 -18.048  -4.061
  937    H    LYS  55           H        LYS  55  16.532 -15.336  -3.236
  938    HA   LYS  55           HA       LYS  55  17.710 -12.761  -3.959
  939    HB2  LYS  55           2HB      LYS  55  18.955 -15.515  -3.827
  940    HB3  LYS  55           1HB      LYS  55  19.816 -14.005  -4.094
  941    HG2  LYS  55           2HG      LYS  55  19.278 -13.237  -1.889
  942    HG3  LYS  55           1HG      LYS  55  18.234 -14.631  -1.612
  943    HD2  LYS  55           2HD      LYS  55  21.223 -14.691  -2.026
  944    HD3  LYS  55           1HD      LYS  55  20.379 -14.921  -0.494
  945    HE2  LYS  55           2HE      LYS  55  19.205 -16.878  -1.594
  946    HE3  LYS  55           1HE      LYS  55  20.366 -16.716  -2.912
  947    HZ1  LYS  55           3HZ      LYS  55  22.129 -16.903  -1.120
  948    HZ2  LYS  55           1HZ      LYS  55  21.255 -18.317  -1.472
  949    HZ3  LYS  55           2HZ      LYS  55  20.886 -17.416  -0.086
  950    H    LYS  56           H        LYS  56  17.375 -12.103  -5.963
  951    HA   LYS  56           HA       LYS  56  16.777 -14.091  -8.019
  952    HB2  LYS  56           2HB      LYS  56  15.135 -12.319  -7.689
  953    HB3  LYS  56           1HB      LYS  56  16.366 -11.097  -7.964
  954    HG2  LYS  56           2HG      LYS  56  16.547 -11.668 -10.254
  955    HG3  LYS  56           1HG      LYS  56  15.568 -13.121 -10.036
  956    HD2  LYS  56           2HD      LYS  56  13.608 -11.833  -9.629
  957    HD3  LYS  56           1HD      LYS  56  14.540 -10.340  -9.509
  958    HE2  LYS  56           2HE      LYS  56  14.261 -12.021 -11.998
  959    HE3  LYS  56           1HE      LYS  56  13.343 -10.554 -11.655
  960    HZ1  LYS  56           3HZ      LYS  56  15.558  -9.413 -11.451
  961    HZ2  LYS  56           1HZ      LYS  56  15.131  -9.912 -13.016
  962    HZ3  LYS  56           2HZ      LYS  56  16.258 -10.807 -12.122
  Start of MODEL   20
    1    H1   GLY   2           1HT      GLY   2 -12.923   4.123 -16.047
    2    H2   GLY   2           2HT      GLY   2 -13.341   2.822 -15.038
    3    H3   GLY   2           3HT      GLY   2 -12.303   4.041 -14.469
    4    HA2  GLY   2           1HA      GLY   2 -14.059   5.659 -14.551
    5    HA3  GLY   2           2HA      GLY   2 -15.140   4.451 -15.232
    6    H    ARG   3           H        ARG   3 -14.908   6.091 -12.610
    7    HA   ARG   3           HA       ARG   3 -15.443   5.837 -10.413
    8    HB2  ARG   3           2HB      ARG   3 -16.730   3.351 -11.541
    9    HB3  ARG   3           1HB      ARG   3 -16.927   3.858  -9.871
   10    HG2  ARG   3           2HG      ARG   3 -17.995   5.904 -10.575
   11    HG3  ARG   3           1HG      ARG   3 -17.704   5.504 -12.271
   12    HD2  ARG   3           2HD      ARG   3 -19.134   3.571 -12.099
   13    HD3  ARG   3           1HD      ARG   3 -19.356   3.845 -10.372
   14    HE   ARG   3           HE       ARG   3 -20.224   6.155 -11.499
   15   HH11  ARG   3          1HH1      ARG   3 -21.032   2.775 -12.010
   16   HH12  ARG   3          2HH1      ARG   3 -22.667   3.106 -12.480
   17   HH21  ARG   3          1HH2      ARG   3 -22.368   6.590 -12.075
   18   HH22  ARG   3          2HH2      ARG   3 -23.429   5.285 -12.530
   19    HA   PRO   4           HA       PRO   4 -11.762   2.964  -9.751
   20    HB2  PRO   4           2HB      PRO   4 -11.025   5.319  -8.096
   21    HB3  PRO   4           1HB      PRO   4 -10.023   4.348  -9.179
   22    HG2  PRO   4           2HG      PRO   4 -10.815   6.789  -9.887
   23    HG3  PRO   4           1HG      PRO   4 -10.750   5.470 -11.074
   24    HD2  PRO   4           2HD      PRO   4 -13.116   6.650  -9.673
   25    HD3  PRO   4           1HD      PRO   4 -12.959   6.102 -11.355
   26    H    TYR   5           H        TYR   5 -12.472   1.476  -8.406
   27    HA   TYR   5           HA       TYR   5 -13.091   0.371  -6.541
   28    HB2  TYR   5           2HB      TYR   5 -12.407   2.922  -5.063
   29    HB3  TYR   5           1HB      TYR   5 -12.640   1.332  -4.339
   30    HD1  TYR   5           1HD      TYR   5 -11.066  -0.555  -5.151
   31    HD2  TYR   5           2HD      TYR   5 -10.279   3.581  -5.762
   32    HE1  TYR   5           1HE      TYR   5  -8.690  -1.065  -5.515
   33    HE2  TYR   5           2HE      TYR   5  -7.899   3.081  -6.121
   34    HH   TYR   5           HH       TYR   5  -6.747  -0.050  -6.676
   35    H    LYS   6           H        LYS   6 -14.206   3.607  -5.552
   36    HA   LYS   6           HA       LYS   6 -16.962   2.587  -5.753
   37    HB2  LYS   6           2HB      LYS   6 -15.829   4.719  -3.942
   38    HB3  LYS   6           1HB      LYS   6 -17.545   4.399  -4.121
   39    HG2  LYS   6           2HG      LYS   6 -15.604   2.290  -3.234
   40    HG3  LYS   6           1HG      LYS   6 -16.379   3.408  -2.113
   41    HD2  LYS   6           2HD      LYS   6 -17.831   1.624  -2.026
   42    HD3  LYS   6           1HD      LYS   6 -18.573   2.607  -3.288
   43    HE2  LYS   6           2HE      LYS   6 -18.586   0.402  -4.108
   44    HE3  LYS   6           1HE      LYS   6 -17.264   1.212  -4.948
   45    HZ1  LYS   6           3HZ      LYS   6 -15.722   0.222  -3.322
   46    HZ2  LYS   6           1HZ      LYS   6 -16.564  -0.951  -4.218
   47    HZ3  LYS   6           2HZ      LYS   6 -17.020  -0.615  -2.622
   48    H    LEU   7           H        LEU   7 -15.968   5.932  -5.348
   49    HA   LEU   7           HA       LEU   7 -16.435   6.501  -8.174
   50    HB2  LEU   7           2HB      LEU   7 -18.612   6.810  -7.049
   51    HB3  LEU   7           1HB      LEU   7 -17.865   7.931  -5.928
   52    HG   LEU   7           HG       LEU   7 -17.388   9.469  -7.801
   53   HD11  LEU   7          1HD1      LEU   7 -18.402   9.094  -9.976
   54   HD12  LEU   7          2HD1      LEU   7 -18.992   7.520  -9.447
   55   HD13  LEU   7          3HD1      LEU   7 -17.257   7.808  -9.593
   56   HD21  LEU   7          3HD2      LEU   7 -19.414   9.747  -6.485
   57   HD22  LEU   7          1HD2      LEU   7 -20.274   8.634  -7.550
   58   HD23  LEU   7          2HD2      LEU   7 -19.699  10.182  -8.171
   59    H    LEU   8           H        LEU   8 -14.146   6.755  -8.087
   60    HA   LEU   8           HA       LEU   8 -12.208   7.922  -7.980
   61    HB2  LEU   8           2HB      LEU   8 -14.196  10.146  -7.655
   62    HB3  LEU   8           1HB      LEU   8 -12.479  10.469  -7.532
   63    HG   LEU   8           HG       LEU   8 -13.189  11.004  -9.749
   64   HD11  LEU   8          1HD1      LEU   8 -11.717   8.379  -9.755
   65   HD12  LEU   8          2HD1      LEU   8 -11.000   9.977  -9.546
   66   HD13  LEU   8          3HD1      LEU   8 -11.761   9.545 -11.077
   67   HD21  LEU   8          3HD2      LEU   8 -15.230   9.687  -9.851
   68   HD22  LEU   8          1HD2      LEU   8 -14.283   8.200  -9.925
   69   HD23  LEU   8          2HD2      LEU   8 -14.207   9.361 -11.251
   70    H    ASN   9           H        ASN   9 -13.232   6.637  -5.610
   71    HA   ASN   9           HA       ASN   9 -12.577   8.407  -3.415
   72    HB2  ASN   9           2HB      ASN   9 -13.519   5.543  -3.488
   73    HB3  ASN   9           1HB      ASN   9 -13.083   6.375  -1.997
   74   HD21  ASN   9          1HD2      ASN   9 -14.394   8.056  -1.248
   75   HD22  ASN   9          2HD2      ASN   9 -16.000   8.288  -1.837
   76    H    GLY  10           H        GLY  10 -10.590   8.766  -2.947
   77    HA2  GLY  10           2HA      GLY  10  -8.786   6.607  -2.329
   78    HA3  GLY  10           1HA      GLY  10  -8.291   7.583  -3.713
   79    H    ILE  11           H        ILE  11  -7.843   7.241  -0.513
   80    HA   ILE  11           HA       ILE  11  -7.885  10.135   0.052
   81    HB   ILE  11           HB       ILE  11  -7.876   7.948   2.124
   82   HG12  ILE  11          2HG1      ILE  11  -9.868   7.670   0.704
   83   HG13  ILE  11          1HG1      ILE  11 -10.297   8.210   2.324
   84   HG21  ILE  11          1HG2      ILE  11  -8.647  10.857   2.238
   85   HG22  ILE  11          2HG2      ILE  11  -7.195  10.129   2.926
   86   HG23  ILE  11          3HG2      ILE  11  -8.782   9.715   3.574
   87   HD11  ILE  11          3HD1      ILE  11 -10.547  10.493   1.488
   88   HD12  ILE  11          1HD1      ILE  11 -11.620   9.362   0.664
   89   HD13  ILE  11          2HD1      ILE  11 -10.156   9.933  -0.138
   90    H    LYS  12           H        LYS  12  -6.163  11.013   1.310
   91    HA   LYS  12           HA       LYS  12  -3.627   9.747   0.571
   92    HB2  LYS  12           2HB      LYS  12  -4.088  11.985  -0.314
   93    HB3  LYS  12           1HB      LYS  12  -4.287  12.603   1.320
   94    HG2  LYS  12           2HG      LYS  12  -2.149  13.272   0.676
   95    HG3  LYS  12           1HG      LYS  12  -1.879  11.867   1.707
   96    HD2  LYS  12           2HD      LYS  12  -1.515  10.461  -0.194
   97    HD3  LYS  12           1HD      LYS  12  -2.000  11.750  -1.300
   98    HE2  LYS  12           2HE      LYS  12  -0.086  13.097  -0.484
   99    HE3  LYS  12           1HE      LYS  12   0.424  11.722   0.494
  100    HZ1  LYS  12           3HZ      LYS  12   1.664  11.766  -1.540
  101    HZ2  LYS  12           1HZ      LYS  12   0.249  11.826  -2.473
  102    HZ3  LYS  12           2HZ      LYS  12   0.621  10.434  -1.582
  103    H    LEU  13           H        LEU  13  -2.563   8.747   2.088
  104    HA   LEU  13           HA       LEU  13  -2.757   9.674   4.874
  105    HB2  LEU  13           2HB      LEU  13  -2.253   7.261   5.462
  106    HB3  LEU  13           1HB      LEU  13  -3.848   7.585   4.815
  107    HG   LEU  13           HG       LEU  13  -1.712   6.690   2.928
  108   HD11  LEU  13          1HD1      LEU  13  -2.203   4.360   3.405
  109   HD12  LEU  13          2HD1      LEU  13  -3.275   4.836   4.722
  110   HD13  LEU  13          3HD1      LEU  13  -1.543   5.153   4.836
  111   HD21  LEU  13          3HD2      LEU  13  -4.692   6.237   3.130
  112   HD22  LEU  13          1HD2      LEU  13  -3.653   5.598   1.856
  113   HD23  LEU  13          2HD2      LEU  13  -3.870   7.343   2.023
  114    H    GLY  14           H        GLY  14  -0.879   9.851   6.028
  115    HA2  GLY  14           2HA      GLY  14   1.568   9.678   4.397
  116    HA3  GLY  14           1HA      GLY  14   1.339  10.741   5.777
  117    H    VAL  15           H        VAL  15   2.888   8.041   4.786
  118    HA   VAL  15           HA       VAL  15   2.860   6.813   7.461
  119    HB   VAL  15           HB       VAL  15   3.988   5.650   4.894
  120   HG11  VAL  15          1HG1      VAL  15   5.009   4.744   6.917
  121   HG12  VAL  15          2HG1      VAL  15   4.011   3.540   6.105
  122   HG13  VAL  15          3HG1      VAL  15   3.410   4.352   7.551
  123   HG21  VAL  15          3HG2      VAL  15   2.006   4.224   4.842
  124   HG22  VAL  15          1HG2      VAL  15   1.579   5.928   4.698
  125   HG23  VAL  15          2HG2      VAL  15   1.346   5.087   6.230
  126    H    TYR  16           H        TYR  16   4.951   6.221   8.403
  127    HA   TYR  16           HA       TYR  16   7.204   7.794   7.355
  128    HB2  TYR  16           2HB      TYR  16   6.073   7.714  10.095
  129    HB3  TYR  16           1HB      TYR  16   7.828   7.721   9.969
  130    HD1  TYR  16           1HD      TYR  16   8.753   9.503   8.243
  131    HD2  TYR  16           2HD      TYR  16   5.015   9.772  10.239
  132    HE1  TYR  16           1HE      TYR  16   8.763  11.924   7.890
  133    HE2  TYR  16           2HE      TYR  16   5.005  12.206   9.900
  134    HH   TYR  16           HH       TYR  16   6.626  14.018   9.517
  135    H    ILE  17           H        ILE  17   8.852   6.554   6.792
  136    HA   ILE  17           HA       ILE  17   9.252   4.012   8.221
  137    HB   ILE  17           HB       ILE  17   9.703   2.833   6.165
  138   HG12  ILE  17          2HG1      ILE  17   9.044   5.406   4.721
  139   HG13  ILE  17          1HG1      ILE  17  10.653   4.705   4.873
  140   HG21  ILE  17          1HG2      ILE  17   7.390   2.887   6.916
  141   HG22  ILE  17          2HG2      ILE  17   7.472   2.837   5.156
  142   HG23  ILE  17          3HG2      ILE  17   7.108   4.353   5.979
  143   HD11  ILE  17          3HD1      ILE  17   9.684   4.238   2.694
  144   HD12  ILE  17          1HD1      ILE  17   8.309   3.446   3.462
  145   HD13  ILE  17          2HD1      ILE  17   9.923   2.751   3.609
  146    HA   PRO  18           HA       PRO  18  13.550   5.111   8.654
  147    HB2  PRO  18           2HB      PRO  18  14.007   2.235   8.042
  148    HB3  PRO  18           1HB      PRO  18  14.563   3.194   9.418
  149    HG2  PRO  18           2HG      PRO  18  12.573   1.453   9.703
  150    HG3  PRO  18           1HG      PRO  18  12.531   3.022  10.529
  151    HD2  PRO  18           2HD      PRO  18  11.059   2.115   8.093
  152    HD3  PRO  18           1HD      PRO  18  10.514   3.161   9.421
  153    H    GLN  19           H        GLN  19  15.498   5.238   7.419
  154    HA   GLN  19           HA       GLN  19  14.850   5.730   4.684
  155    HB2  GLN  19           2HB      GLN  19  17.063   6.735   4.530
  156    HB3  GLN  19           1HB      GLN  19  16.206   7.304   5.956
  157    HG2  GLN  19           2HG      GLN  19  17.517   5.905   7.383
  158    HG3  GLN  19           1HG      GLN  19  18.256   5.106   5.995
  159   HE21  GLN  19          1HE2      GLN  19  18.559   7.567   4.487
  160   HE22  GLN  19          2HE2      GLN  19  19.876   8.425   5.224
  161    H    GLU  20           H        GLU  20  17.025   3.418   6.310
  162    HA   GLU  20           HA       GLU  20  18.200   2.427   3.939
  163    HB2  GLU  20           2HB      GLU  20  18.776   0.417   5.291
  164    HB3  GLU  20           1HB      GLU  20  19.259   1.938   6.027
  165    HG2  GLU  20           2HG      GLU  20  16.654   0.708   6.760
  166    HG3  GLU  20           1HG      GLU  20  18.147   0.077   7.450
  167    H    TRP  21           H        TRP  21  15.273   1.686   5.619
  168    HA   TRP  21           HA       TRP  21  14.632  -0.622   4.011
  169    HB2  TRP  21           2HB      TRP  21  14.038  -0.479   6.398
  170    HB3  TRP  21           1HB      TRP  21  13.055   0.940   6.072
  171    HD1  TRP  21           HD       TRP  21  13.033  -2.597   4.414
  172    HE1  TRP  21           1HE      TRP  21  10.601  -3.452   4.501
  173    HE3  TRP  21           3HE      TRP  21  10.885   1.305   6.885
  174    HZ2  TRP  21           2HZ      TRP  21   8.110  -2.585   5.494
  175    HZ3  TRP  21           3HZ      TRP  21   8.478   1.218   7.370
  176    HH2  TRP  21           HH       TRP  21   7.107  -0.685   6.691
  177    H    HIS  22           H        HIS  22  13.958   2.766   4.160
  178    HA   HIS  22           HA       HIS  22  11.893   2.997   2.263
  179    HB2  HIS  22           2HB      HIS  22  12.686   4.810   3.785
  180    HB3  HIS  22           1HB      HIS  22  14.177   4.909   2.859
  181    HD1  HIS  22           1HD      HIS  22  14.176   6.428   0.852
  182    HD2  HIS  22           2HD      HIS  22  10.365   5.740   2.378
  183    HE1  HIS  22           1HE      HIS  22  12.671   8.080  -0.306
  184    HE2  HIS  22           2HE      HIS  22  10.421   7.793   0.801
  185    H    ASP  23           H        ASP  23  15.418   3.190   1.960
  186    HA   ASP  23           HA       ASP  23  15.553   3.688  -0.792
  187    HB2  ASP  23           2HB      ASP  23  17.421   4.046   0.766
  188    HB3  ASP  23           1HB      ASP  23  17.575   2.306   0.982
  189    H    ARG  24           H        ARG  24  15.615   0.612   0.980
  190    HA   ARG  24           HA       ARG  24  16.202  -0.923  -1.356
  191    HB2  ARG  24           2HB      ARG  24  15.633  -1.479   1.482
  192    HB3  ARG  24           1HB      ARG  24  15.170  -2.754   0.363
  193    HG2  ARG  24           2HG      ARG  24  17.458  -2.981   1.333
  194    HG3  ARG  24           1HG      ARG  24  17.395  -2.986  -0.429
  195    HD2  ARG  24           2HD      ARG  24  18.078  -0.656  -0.477
  196    HD3  ARG  24           1HD      ARG  24  18.085  -0.600   1.285
  197    HE   ARG  24           HE       ARG  24  19.789  -2.655   0.620
  198   HH11  ARG  24          1HH1      ARG  24  19.615   0.742  -0.251
  199   HH12  ARG  24          2HH1      ARG  24  21.340   0.947  -0.264
  200   HH21  ARG  24          1HH2      ARG  24  22.037  -2.399   0.544
  201   HH22  ARG  24          2HH2      ARG  24  22.718  -0.850   0.161
  202    H    LEU  25           H        LEU  25  13.216  -0.094   0.338
  203    HA   LEU  25           HA       LEU  25  11.555  -1.741  -1.261
  204    HB2  LEU  25           2HB      LEU  25  11.139   0.483   0.643
  205    HB3  LEU  25           1HB      LEU  25   9.864   0.218  -0.532
  206    HG   LEU  25           HG       LEU  25   9.448  -0.954   1.609
  207   HD11  LEU  25          1HD1      LEU  25   8.454  -1.826  -0.420
  208   HD12  LEU  25          2HD1      LEU  25   8.931  -3.149   0.643
  209   HD13  LEU  25          3HD1      LEU  25   9.917  -2.749  -0.764
  210   HD21  LEU  25          3HD2      LEU  25  11.915  -2.516   0.861
  211   HD22  LEU  25          1HD2      LEU  25  10.787  -2.952   2.144
  212   HD23  LEU  25          2HD2      LEU  25  11.724  -1.462   2.262
  213    H    MET  26           H        MET  26  12.865   1.478  -1.654
  214    HA   MET  26           HA       MET  26  11.289   2.230  -3.869
  215    HB2  MET  26           2HB      MET  26  14.037   3.087  -2.990
  216    HB3  MET  26           1HB      MET  26  13.229   3.778  -4.389
  217    HG2  MET  26           2HG      MET  26  11.375   4.486  -2.939
  218    HG3  MET  26           1HG      MET  26  12.251   3.854  -1.545
  219    HE1  MET  26           3HE      MET  26  13.691   5.668  -4.698
  220    HE2  MET  26           1HE      MET  26  13.776   7.343  -4.154
  221    HE3  MET  26           2HE      MET  26  12.208   6.572  -4.396
  222    H    GLU  27           H        GLU  27  14.347   0.468  -3.640
  223    HA   GLU  27           HA       GLU  27  14.765   0.324  -6.437
  224    HB2  GLU  27           2HB      GLU  27  16.578  -0.098  -4.841
  225    HB3  GLU  27           1HB      GLU  27  15.746  -1.538  -4.268
  226    HG2  GLU  27           2HG      GLU  27  16.041  -2.631  -6.368
  227    HG3  GLU  27           1HG      GLU  27  16.669  -1.157  -7.102
  228    H    ILE  28           H        ILE  28  13.140  -1.795  -4.128
  229    HA   ILE  28           HA       ILE  28  12.436  -3.825  -5.968
  230    HB   ILE  28           HB       ILE  28  10.961  -2.925  -3.478
  231   HG12  ILE  28          2HG1      ILE  28  12.948  -5.176  -3.884
  232   HG13  ILE  28          1HG1      ILE  28  13.306  -3.641  -3.099
  233   HG21  ILE  28          1HG2      ILE  28   9.524  -4.227  -4.970
  234   HG22  ILE  28          2HG2      ILE  28   9.912  -5.131  -3.506
  235   HG23  ILE  28          3HG2      ILE  28  10.734  -5.508  -5.020
  236   HD11  ILE  28          3HD1      ILE  28  11.305  -5.670  -2.129
  237   HD12  ILE  28          1HD1      ILE  28  11.732  -4.157  -1.330
  238   HD13  ILE  28          2HD1      ILE  28  12.933  -5.438  -1.491
  239    H    ALA  29           H        ALA  29  10.911  -0.809  -5.019
  240    HA   ALA  29           HA       ALA  29   8.509  -1.093  -6.476
  241    HB1  ALA  29           1HB      ALA  29   8.781   0.522  -4.662
  242    HB2  ALA  29           2HB      ALA  29   8.259   1.312  -6.150
  243    HB3  ALA  29           3HB      ALA  29   9.943   1.425  -5.635
  244    H    LYS  30           H        LYS  30  11.714  -0.078  -7.349
  245    HA   LYS  30           HA       LYS  30  10.990   1.209  -9.801
  246    HB2  LYS  30           2HB      LYS  30  13.074   1.675  -8.486
  247    HB3  LYS  30           1HB      LYS  30  13.663   0.080  -8.949
  248    HG2  LYS  30           2HG      LYS  30  13.428   0.843 -11.351
  249    HG3  LYS  30           1HG      LYS  30  13.195   2.469 -10.706
  250    HD2  LYS  30           2HD      LYS  30  15.597   0.697 -10.258
  251    HD3  LYS  30           1HD      LYS  30  15.529   2.114 -11.307
  252    HE2  LYS  30           2HE      LYS  30  15.171   3.554  -9.401
  253    HE3  LYS  30           1HE      LYS  30  15.072   2.161  -8.326
  254    HZ1  LYS  30           3HZ      LYS  30  17.470   2.979  -9.877
  255    HZ2  LYS  30           1HZ      LYS  30  17.376   1.647  -8.831
  256    HZ3  LYS  30           2HZ      LYS  30  17.243   3.222  -8.215
  257    H    GLU  31           H        GLU  31  12.062  -1.943  -8.801
  258    HA   GLU  31           HA       GLU  31  12.512  -3.070 -11.340
  259    HB2  GLU  31           2HB      GLU  31  13.312  -3.950  -9.123
  260    HB3  GLU  31           1HB      GLU  31  11.673  -4.506  -8.817
  261    HG2  GLU  31           2HG      GLU  31  13.065  -6.317  -9.604
  262    HG3  GLU  31           1HG      GLU  31  11.797  -5.954 -10.777
  263    H    LYS  32           H        LYS  32   9.638  -2.924  -9.267
  264    HA   LYS  32           HA       LYS  32   8.161  -4.584 -11.162
  265    HB2  LYS  32           2HB      LYS  32   7.636  -3.766  -8.324
  266    HB3  LYS  32           1HB      LYS  32   6.338  -4.395  -9.327
  267    HG2  LYS  32           2HG      LYS  32   7.167  -6.228  -8.106
  268    HG3  LYS  32           1HG      LYS  32   7.794  -6.412  -9.743
  269    HD2  LYS  32           2HD      LYS  32   9.921  -5.376  -8.987
  270    HD3  LYS  32           1HD      LYS  32   9.282  -5.365  -7.342
  271    HE2  LYS  32           2HE      LYS  32   9.704  -7.808  -9.058
  272    HE3  LYS  32           1HE      LYS  32  10.754  -7.285  -7.744
  273    HZ1  LYS  32           3HZ      LYS  32   7.919  -8.155  -7.489
  274    HZ2  LYS  32           1HZ      LYS  32   8.876  -7.582  -6.213
  275    HZ3  LYS  32           2HZ      LYS  32   9.292  -9.024  -6.999
  276    H    ASN  33           H        ASN  33   8.720  -1.380 -10.843
  277    HA   ASN  33           HA       ASN  33   7.775   0.505 -11.677
  278    HB2  ASN  33           2HB      ASN  33   6.014  -1.505 -13.063
  279    HB3  ASN  33           1HB      ASN  33   5.777   0.229 -13.260
  280   HD21  ASN  33          1HD2      ASN  33   7.384   1.456 -14.264
  281   HD22  ASN  33          2HD2      ASN  33   8.562   0.715 -15.295
  282    H    LEU  34           H        LEU  34   7.257   0.154  -9.199
  283    HA   LEU  34           HA       LEU  34   4.494   1.075  -8.836
  284    HB2  LEU  34           2HB      LEU  34   6.000  -0.865  -7.066
  285    HB3  LEU  34           1HB      LEU  34   4.473  -0.112  -6.641
  286    HG   LEU  34           HG       LEU  34   4.849  -1.949  -9.006
  287   HD11  LEU  34          1HD1      LEU  34   5.232  -3.159  -6.925
  288   HD12  LEU  34          2HD1      LEU  34   3.697  -3.631  -7.654
  289   HD13  LEU  34          3HD1      LEU  34   3.718  -2.536  -6.271
  290   HD21  LEU  34          3HD2      LEU  34   2.399  -2.025  -8.978
  291   HD22  LEU  34          1HD2      LEU  34   3.002  -0.390  -9.252
  292   HD23  LEU  34          2HD2      LEU  34   2.383  -0.846  -7.664
  293    H    THR  35           H        THR  35   4.340   2.359  -6.737
  294    HA   THR  35           HA       THR  35   6.926   3.634  -6.161
  295    HB   THR  35           HB       THR  35   5.662   5.448  -5.107
  296    HG1  THR  35           1HG      THR  35   3.292   4.108  -5.989
  297   HG21  THR  35          3HG2      THR  35   4.620   4.757  -7.857
  298   HG22  THR  35          1HG2      THR  35   6.102   5.640  -7.494
  299   HG23  THR  35          2HG2      THR  35   4.535   6.349  -7.102
  300    H    LEU  36           H        LEU  36   7.289   4.206  -3.822
  301    HA   LEU  36           HA       LEU  36   7.141   1.988  -2.145
  302    HB2  LEU  36           2HB      LEU  36   7.800   3.452  -0.334
  303    HB3  LEU  36           1HB      LEU  36   8.715   3.823  -1.778
  304    HG   LEU  36           HG       LEU  36   6.334   5.444  -0.872
  305   HD11  LEU  36          1HD1      LEU  36   8.077   5.480   0.837
  306   HD12  LEU  36          2HD1      LEU  36   7.951   7.036   0.015
  307   HD13  LEU  36          3HD1      LEU  36   9.267   5.932  -0.383
  308   HD21  LEU  36          3HD2      LEU  36   8.545   5.958  -2.859
  309   HD22  LEU  36          1HD2      LEU  36   7.399   7.178  -2.307
  310   HD23  LEU  36          2HD2      LEU  36   6.825   5.775  -3.202
  311    H    SER  37           H        SER  37   4.978   4.738  -2.485
  312    HA   SER  37           HA       SER  37   3.160   4.169  -0.458
  313    HB2  SER  37           2HB      SER  37   2.479   5.266  -3.197
  314    HB3  SER  37           1HB      SER  37   1.631   5.566  -1.680
  315    HG   SER  37           HG       SER  37   2.884   7.274  -1.663
  316    H    ASP  38           H        ASP  38   3.318   2.978  -3.803
  317    HA   ASP  38           HA       ASP  38   0.933   1.481  -3.746
  318    HB2  ASP  38           2HB      ASP  38   3.431   1.182  -5.416
  319    HB3  ASP  38           1HB      ASP  38   2.025   0.145  -5.622
  320    H    VAL  39           H        VAL  39   4.304   0.511  -3.153
  321    HA   VAL  39           HA       VAL  39   3.731  -2.226  -2.729
  322    HB   VAL  39           HB       VAL  39   6.055  -0.659  -1.599
  323   HG11  VAL  39          1HG1      VAL  39   7.219  -2.832  -1.673
  324   HG12  VAL  39          2HG1      VAL  39   5.709  -3.599  -2.166
  325   HG13  VAL  39          3HG1      VAL  39   5.836  -2.838  -0.580
  326   HG21  VAL  39          3HG2      VAL  39   7.287  -1.331  -3.597
  327   HG22  VAL  39          1HG2      VAL  39   5.893  -0.333  -4.012
  328   HG23  VAL  39          2HG2      VAL  39   5.829  -2.080  -4.250
  329    H    CYS  40           H        CYS  40   3.817   0.539  -0.543
  330    HA   CYS  40           HA       CYS  40   3.621  -0.977   1.848
  331    HB2  CYS  40           2HB      CYS  40   4.268   1.539   1.463
  332    HB3  CYS  40           1HB      CYS  40   2.536   1.831   1.587
  333    HG   CYS  40           HG       CYS  40   3.500  -0.029   4.104
  334    H    ARG  41           H        ARG  41   1.154   0.848   0.032
  335    HA   ARG  41           HA       ARG  41  -1.110  -0.067   1.289
  336    HB2  ARG  41           2HB      ARG  41  -1.268   1.665  -0.360
  337    HB3  ARG  41           1HB      ARG  41  -0.640   0.609  -1.617
  338    HG2  ARG  41           2HG      ARG  41  -3.069  -0.377  -0.321
  339    HG3  ARG  41           1HG      ARG  41  -3.266   1.148  -1.185
  340    HD2  ARG  41           2HD      ARG  41  -1.787  -1.031  -2.549
  341    HD3  ARG  41           1HD      ARG  41  -3.531  -1.213  -2.374
  342    HE   ARG  41           HE       ARG  41  -2.256   1.116  -3.695
  343   HH11  ARG  41          1HH1      ARG  41  -4.759  -1.337  -3.502
  344   HH12  ARG  41          2HH1      ARG  41  -5.642  -0.719  -4.861
  345   HH21  ARG  41          1HH2      ARG  41  -3.428   1.929  -5.493
  346   HH22  ARG  41          2HH2      ARG  41  -4.901   1.140  -5.976
  347    H    LEU  42           H        LEU  42   0.597  -1.596  -1.438
  348    HA   LEU  42           HA       LEU  42  -1.175  -3.802  -1.650
  349    HB2  LEU  42           2HB      LEU  42   1.698  -3.536  -2.545
  350    HB3  LEU  42           1HB      LEU  42   0.619  -4.840  -3.003
  351    HG   LEU  42           HG       LEU  42   0.207  -1.927  -3.687
  352   HD11  LEU  42          1HD1      LEU  42   1.136  -4.238  -5.389
  353   HD12  LEU  42          2HD1      LEU  42   2.109  -2.862  -4.873
  354   HD13  LEU  42          3HD1      LEU  42   0.755  -2.619  -5.975
  355   HD21  LEU  42          3HD2      LEU  42  -1.558  -2.773  -5.167
  356   HD22  LEU  42          1HD2      LEU  42  -1.895  -3.139  -3.474
  357   HD23  LEU  42          2HD2      LEU  42  -1.293  -4.403  -4.547
  358    H    ALA  43           H        ALA  43   1.373  -3.033   0.486
  359    HA   ALA  43           HA       ALA  43   1.978  -5.654   1.360
  360    HB1  ALA  43           1HB      ALA  43   3.457  -3.755   1.796
  361    HB2  ALA  43           2HB      ALA  43   3.003  -4.590   3.283
  362    HB3  ALA  43           3HB      ALA  43   2.235  -3.059   2.861
  363    H    ILE  44           H        ILE  44  -0.402  -3.207   2.276
  364    HA   ILE  44           HA       ILE  44  -1.527  -4.646   4.462
  365    HB   ILE  44           HB       ILE  44  -2.965  -2.696   2.636
  366   HG12  ILE  44          2HG1      ILE  44  -1.400  -2.222   5.181
  367   HG13  ILE  44          1HG1      ILE  44  -1.088  -1.540   3.589
  368   HG21  ILE  44          1HG2      ILE  44  -3.613  -3.656   5.419
  369   HG22  ILE  44          2HG2      ILE  44  -4.479  -4.065   3.936
  370   HG23  ILE  44          3HG2      ILE  44  -4.493  -2.406   4.537
  371   HD11  ILE  44          3HD1      ILE  44  -2.076   0.115   5.054
  372   HD12  ILE  44          1HD1      ILE  44  -3.477  -0.928   5.308
  373   HD13  ILE  44          2HD1      ILE  44  -3.152  -0.261   3.707
  374    H    LYS  45           H        LYS  45  -2.159  -4.481   1.018
  375    HA   LYS  45           HA       LYS  45  -4.352  -6.191   0.883
  376    HB2  LYS  45           2HB      LYS  45  -3.741  -4.867  -1.023
  377    HB3  LYS  45           1HB      LYS  45  -2.158  -5.623  -1.110
  378    HG2  LYS  45           2HG      LYS  45  -3.097  -7.683  -1.838
  379    HG3  LYS  45           1HG      LYS  45  -4.736  -7.109  -1.529
  380    HD2  LYS  45           2HD      LYS  45  -4.537  -5.472  -3.291
  381    HD3  LYS  45           1HD      LYS  45  -2.842  -5.897  -3.541
  382    HE2  LYS  45           2HE      LYS  45  -5.085  -7.879  -3.845
  383    HE3  LYS  45           1HE      LYS  45  -4.513  -6.877  -5.177
  384    HZ1  LYS  45           3HZ      LYS  45  -3.533  -9.206  -4.896
  385    HZ2  LYS  45           1HZ      LYS  45  -2.632  -8.543  -3.624
  386    HZ3  LYS  45           2HZ      LYS  45  -2.466  -7.929  -5.197
  387    H    GLU  46           H        GLU  46  -0.886  -6.887   0.876
  388    HA   GLU  46           HA       GLU  46  -1.149  -9.695   0.455
  389    HB2  GLU  46           2HB      GLU  46   0.918  -8.256   0.066
  390    HB3  GLU  46           1HB      GLU  46   1.138  -8.254   1.808
  391    HG2  GLU  46           2HG      GLU  46   2.558  -9.925   1.035
  392    HG3  GLU  46           1HG      GLU  46   1.150 -10.794   1.644
  393    H    TYR  47           H        TYR  47  -1.037  -7.545   3.181
  394    HA   TYR  47           HA       TYR  47  -0.743  -9.393   5.258
  395    HB2  TYR  47           2HB      TYR  47  -0.633  -6.803   5.272
  396    HB3  TYR  47           1HB      TYR  47  -2.379  -6.870   5.458
  397    HD1  TYR  47           1HD      TYR  47   0.798  -7.942   7.017
  398    HD2  TYR  47           2HD      TYR  47  -3.339  -7.161   7.595
  399    HE1  TYR  47           1HE      TYR  47   1.116  -8.121   9.441
  400    HE2  TYR  47           2HE      TYR  47  -3.036  -7.343  10.033
  401    HH   TYR  47           HH       TYR  47   0.082  -7.400  11.479
  402    H    LEU  48           H        LEU  48  -3.616  -7.950   3.784
  403    HA   LEU  48           HA       LEU  48  -5.506  -9.402   5.319
  404    HB2  LEU  48           2HB      LEU  48  -5.855  -8.124   2.605
  405    HB3  LEU  48           1HB      LEU  48  -7.143  -8.603   3.694
  406    HG   LEU  48           HG       LEU  48  -5.119  -6.418   4.197
  407   HD11  LEU  48          1HD1      LEU  48  -6.749  -5.794   2.512
  408   HD12  LEU  48          2HD1      LEU  48  -7.051  -4.918   4.011
  409   HD13  LEU  48          3HD1      LEU  48  -8.068  -6.291   3.573
  410   HD21  LEU  48          3HD2      LEU  48  -7.448  -7.362   5.867
  411   HD22  LEU  48          1HD2      LEU  48  -6.500  -5.906   6.170
  412   HD23  LEU  48          2HD2      LEU  48  -5.737  -7.492   6.275
  413    H    ASP  49           H        ASP  49  -4.134  -9.876   2.088
  414    HA   ASP  49           HA       ASP  49  -5.846 -11.876   1.181
  415    HB2  ASP  49           2HB      ASP  49  -4.145 -10.573  -0.152
  416    HB3  ASP  49           1HB      ASP  49  -2.913 -11.647   0.495
  417    H    ASN  50           H        ASN  50  -2.728 -12.214   2.856
  418    HA   ASN  50           HA       ASN  50  -2.835 -15.084   2.680
  419    HB2  ASN  50           2HB      ASN  50  -0.909 -13.205   4.044
  420    HB3  ASN  50           1HB      ASN  50  -0.731 -14.963   4.062
  421   HD21  ASN  50          1HD2      ASN  50  -0.618 -12.090   2.159
  422   HD22  ASN  50          2HD2      ASN  50   0.147 -12.777   0.763
  423    H    HIS  51           H        HIS  51  -3.992 -12.774   4.920
  424    HA   HIS  51           HA       HIS  51  -4.078 -14.720   7.095
  425    HB2  HIS  51           2HB      HIS  51  -4.996 -11.842   6.947
  426    HB3  HIS  51           1HB      HIS  51  -5.226 -12.866   8.359
  427    HD1  HIS  51           1HD      HIS  51  -3.736 -10.633   9.218
  428    HD2  HIS  51           2HD      HIS  51  -1.792 -13.662   7.125
  429    HE1  HIS  51           1HE      HIS  51  -1.287 -10.374   9.756
  430    HE2  HIS  51           2HE      HIS  51  -0.113 -12.055   8.285
  431    H    ASP  52           H        ASP  52  -6.198 -13.031   4.870
  432    HA   ASP  52           HA       ASP  52  -8.516 -14.542   5.806
  433    HB2  ASP  52           2HB      ASP  52  -8.783 -12.134   5.340
  434    HB3  ASP  52           1HB      ASP  52  -8.262 -12.396   3.681
  435    H    LYS  53           H        LYS  53  -7.804 -16.586   5.154
  436    HA   LYS  53           HA       LYS  53  -6.898 -17.093   2.480
  437    HB2  LYS  53           2HB      LYS  53  -7.608 -18.972   4.735
  438    HB3  LYS  53           1HB      LYS  53  -6.849 -19.457   3.227
  439    HG2  LYS  53           2HG      LYS  53  -4.911 -18.055   3.757
  440    HG3  LYS  53           1HG      LYS  53  -5.674 -17.590   5.278
  441    HD2  LYS  53           2HD      LYS  53  -4.026 -19.365   5.615
  442    HD3  LYS  53           1HD      LYS  53  -5.656 -19.917   6.010
  443    HE2  LYS  53           2HE      LYS  53  -4.482 -21.630   4.757
  444    HE3  LYS  53           1HE      LYS  53  -5.812 -20.981   3.799
  445    HZ1  LYS  53           3HZ      LYS  53  -2.933 -20.294   3.511
  446    HZ2  LYS  53           1HZ      LYS  53  -4.193 -19.569   2.631
  447    HZ3  LYS  53           2HZ      LYS  53  -3.864 -21.222   2.438
  448    H    GLN  54           H        GLN  54  -9.725 -18.200   4.354
  449    HA   GLN  54           HA       GLN  54 -11.754 -19.024   3.742
  450    HB2  GLN  54           2HB      GLN  54 -11.257 -17.566   1.137
  451    HB3  GLN  54           1HB      GLN  54 -12.805 -18.167   1.705
  452    HG2  GLN  54           2HG      GLN  54 -12.642 -16.616   3.629
  453    HG3  GLN  54           1HG      GLN  54 -11.173 -15.952   2.916
  454   HE21  GLN  54          1HE2      GLN  54 -12.052 -13.906   2.647
  455   HE22  GLN  54          2HE2      GLN  54 -13.275 -13.574   1.464
  456    H    LYS  55           H        LYS  55 -12.881 -20.243   1.747
  457    HA   LYS  55           HA       LYS  55 -12.919 -21.868   0.170
  458    HB2  LYS  55           2HB      LYS  55 -10.111 -20.894  -0.356
  459    HB3  LYS  55           1HB      LYS  55 -10.999 -21.998  -1.399
  460    HG2  LYS  55           2HG      LYS  55 -12.606 -20.323  -1.939
  461    HG3  LYS  55           1HG      LYS  55 -11.963 -19.234  -0.706
  462    HD2  LYS  55           2HD      LYS  55 -11.247 -18.612  -2.976
  463    HD3  LYS  55           1HD      LYS  55  -9.887 -19.022  -1.928
  464    HE2  LYS  55           2HE      LYS  55  -9.558 -20.011  -4.103
  465    HE3  LYS  55           1HE      LYS  55  -9.846 -21.280  -2.916
  466    HZ1  LYS  55           3HZ      LYS  55 -11.876 -20.192  -4.793
  467    HZ2  LYS  55           1HZ      LYS  55 -12.125 -21.449  -3.679
  468    HZ3  LYS  55           2HZ      LYS  55 -11.057 -21.661  -4.979
  469    H    LYS  56           H        LYS  56 -12.346 -22.786   2.765
  470    HA   LYS  56           HA       LYS  56 -10.384 -24.911   2.299
  471    HB2  LYS  56           2HB      LYS  56 -11.920 -24.161   4.789
  472    HB3  LYS  56           1HB      LYS  56 -10.818 -25.527   4.682
  473    HG2  LYS  56           2HG      LYS  56  -9.021 -23.876   4.060
  474    HG3  LYS  56           1HG      LYS  56 -10.164 -22.600   4.494
  475    HD2  LYS  56           2HD      LYS  56  -9.151 -24.796   6.304
  476    HD3  LYS  56           1HD      LYS  56  -8.694 -23.092   6.368
  477    HE2  LYS  56           2HE      LYS  56 -10.979 -22.480   6.928
  478    HE3  LYS  56           1HE      LYS  56 -11.481 -24.165   6.791
  479    HZ1  LYS  56           3HZ      LYS  56  -9.611 -23.023   8.798
  480    HZ2  LYS  56           1HZ      LYS  56  -9.925 -24.681   8.619
  481    HZ3  LYS  56           2HZ      LYS  56 -11.165 -23.633   9.083
  482    H1   GLY   2           1HT      GLY   2  18.431   6.177  23.647
  483    H2   GLY   2           2HT      GLY   2  18.780   6.738  22.088
  484    H3   GLY   2           3HT      GLY   2  19.689   5.472  22.754
  485    HA2  GLY   2           1HA      GLY   2  17.785   4.020  22.736
  486    HA3  GLY   2           2HA      GLY   2  16.786   5.337  22.138
  487    H    ARG   3           H        ARG   3  18.902   6.333  20.342
  488    HA   ARG   3           HA       ARG   3  19.507   6.139  18.171
  489    HB2  ARG   3           2HB      ARG   3  19.908   3.337  19.143
  490    HB3  ARG   3           1HB      ARG   3  20.111   3.706  17.435
  491    HG2  ARG   3           2HG      ARG   3  21.829   5.326  17.949
  492    HG3  ARG   3           1HG      ARG   3  21.586   5.068  19.678
  493    HD2  ARG   3           2HD      ARG   3  22.453   2.884  19.579
  494    HD3  ARG   3           1HD      ARG   3  22.348   2.834  17.818
  495    HE   ARG   3           HE       ARG   3  24.072   4.826  18.145
  496   HH11  ARG   3          1HH1      ARG   3  23.991   1.679  19.730
  497   HH12  ARG   3          2HH1      ARG   3  25.721   1.607  19.910
  498   HH21  ARG   3          1HH2      ARG   3  26.316   4.704  18.394
  499   HH22  ARG   3          2HH2      ARG   3  27.028   3.323  19.168
  500    HA   PRO   4           HA       PRO   4  15.326   5.101  16.630
  501    HB2  PRO   4           2HB      PRO   4  15.857   7.419  14.910
  502    HB3  PRO   4           1HB      PRO   4  14.513   7.133  16.020
  503    HG2  PRO   4           2HG      PRO   4  16.423   8.963  16.529
  504    HG3  PRO   4           1HG      PRO   4  15.630   8.040  17.817
  505    HD2  PRO   4           2HD      PRO   4  18.324   7.620  16.570
  506    HD3  PRO   4           1HD      PRO   4  17.845   7.522  18.279
  507    H    TYR   5           H        TYR   5  16.403   3.249  15.758
  508    HA   TYR   5           HA       TYR   5  17.059   1.859  14.115
  509    HB2  TYR   5           2HB      TYR   5  16.304   4.189  12.354
  510    HB3  TYR   5           1HB      TYR   5  16.889   2.656  11.714
  511    HD1  TYR   5           1HD      TYR   5  15.568   0.580  12.109
  512    HD2  TYR   5           2HD      TYR   5  14.057   4.432  13.094
  513    HE1  TYR   5           1HE      TYR   5  13.294  -0.343  12.204
  514    HE2  TYR   5           2HE      TYR   5  11.777   3.518  13.196
  515    HH   TYR   5           HH       TYR   5  11.151   0.158  13.220
  516    H    LYS   6           H        LYS   6  18.277   4.979  12.888
  517    HA   LYS   6           HA       LYS   6  21.014   4.061  13.389
  518    HB2  LYS   6           2HB      LYS   6  20.128   5.175  10.713
  519    HB3  LYS   6           1HB      LYS   6  21.745   4.642  11.143
  520    HG2  LYS   6           2HG      LYS   6  19.365   2.809  11.092
  521    HG3  LYS   6           1HG      LYS   6  20.421   3.083   9.706
  522    HD2  LYS   6           2HD      LYS   6  22.320   2.238  10.940
  523    HD3  LYS   6           1HD      LYS   6  21.333   2.067  12.394
  524    HE2  LYS   6           2HE      LYS   6  21.660  -0.071  11.223
  525    HE3  LYS   6           1HE      LYS   6  19.963   0.397  11.315
  526    HZ1  LYS   6           3HZ      LYS   6  20.113   1.210   9.030
  527    HZ2  LYS   6           1HZ      LYS   6  20.507  -0.439   9.128
  528    HZ3  LYS   6           2HZ      LYS   6  21.739   0.713   8.954
  529    H    LEU   7           H        LEU   7  19.396   6.707  11.658
  530    HA   LEU   7           HA       LEU   7  20.387   8.639  13.608
  531    HB2  LEU   7           2HB      LEU   7  22.136   8.416  11.861
  532    HB3  LEU   7           1HB      LEU   7  20.950   8.844  10.645
  533    HG   LEU   7           HG       LEU   7  20.693  11.066  11.731
  534   HD11  LEU   7          1HD1      LEU   7  22.381  11.777  13.355
  535   HD12  LEU   7          2HD1      LEU   7  23.012  10.132  13.411
  536   HD13  LEU   7          3HD1      LEU   7  21.378  10.466  13.980
  537   HD21  LEU   7          3HD2      LEU   7  23.487  10.321  10.882
  538   HD22  LEU   7          1HD2      LEU   7  22.836  11.957  10.948
  539   HD23  LEU   7          2HD2      LEU   7  22.160  10.784   9.819
  540    H    LEU   8           H        LEU   8  17.962   8.311  13.865
  541    HA   LEU   8           HA       LEU   8  15.824   9.059  13.689
  542    HB2  LEU   8           2HB      LEU   8  17.308  11.360  12.441
  543    HB3  LEU   8           1HB      LEU   8  15.561  11.358  12.530
  544    HG   LEU   8           HG       LEU   8  16.428  12.664  14.336
  545   HD11  LEU   8          1HD1      LEU   8  15.459  11.504  16.262
  546   HD12  LEU   8          2HD1      LEU   8  15.426  10.007  15.329
  547   HD13  LEU   8          3HD1      LEU   8  14.444  11.382  14.824
  548   HD21  LEU   8          3HD2      LEU   8  17.882  11.721  16.073
  549   HD22  LEU   8          1HD2      LEU   8  18.666  11.745  14.493
  550   HD23  LEU   8          2HD2      LEU   8  18.023  10.233  15.136
  551    H    ASN   9           H        ASN   9  16.000   7.106  12.123
  552    HA   ASN   9           HA       ASN   9  15.831   7.760   9.311
  553    HB2  ASN   9           2HB      ASN   9  15.670   5.119  10.778
  554    HB3  ASN   9           1HB      ASN   9  15.554   5.274   9.030
  555   HD21  ASN   9          1HD2      ASN   9  17.389   4.086   8.616
  556   HD22  ASN   9          2HD2      ASN   9  18.974   4.673   8.989
  557    H    GLY  10           H        GLY  10  14.006   8.749   8.783
  558    HA2  GLY  10           2HA      GLY  10  11.572   7.229   8.771
  559    HA3  GLY  10           1HA      GLY  10  11.513   8.582   9.896
  560    H    ILE  11           H        ILE  11  11.186   7.599   6.685
  561    HA   ILE  11           HA       ILE  11  11.364  10.361   5.682
  562    HB   ILE  11           HB       ILE  11  11.144   7.821   4.049
  563   HG12  ILE  11          2HG1      ILE  11  13.218   7.787   5.346
  564   HG13  ILE  11          1HG1      ILE  11  13.559   8.053   3.638
  565   HG21  ILE  11          1HG2      ILE  11  11.942  10.626   3.273
  566   HG22  ILE  11          2HG2      ILE  11  10.419   9.830   2.874
  567   HG23  ILE  11          3HG2      ILE  11  11.933   9.224   2.203
  568   HD11  ILE  11          3HD1      ILE  11  14.945   9.474   5.031
  569   HD12  ILE  11          1HD1      ILE  11  13.506  10.172   5.775
  570   HD13  ILE  11          2HD1      ILE  11  13.833  10.441   4.063
  571    H    LYS  12           H        LYS  12   9.650  11.138   4.303
  572    HA   LYS  12           HA       LYS  12   7.057  10.260   5.347
  573    HB2  LYS  12           2HB      LYS  12   7.626  12.581   5.755
  574    HB3  LYS  12           1HB      LYS  12   7.980  12.833   4.054
  575    HG2  LYS  12           2HG      LYS  12   5.898  13.824   4.376
  576    HG3  LYS  12           1HG      LYS  12   5.534  12.270   3.624
  577    HD2  LYS  12           2HD      LYS  12   5.014  11.337   5.833
  578    HD3  LYS  12           1HD      LYS  12   5.363  12.904   6.571
  579    HE2  LYS  12           2HE      LYS  12   3.583  13.887   5.114
  580    HE3  LYS  12           1HE      LYS  12   3.167  12.249   4.611
  581    HZ1  LYS  12           3HZ      LYS  12   2.975  13.397   7.343
  582    HZ2  LYS  12           1HZ      LYS  12   2.792  11.745   7.011
  583    HZ3  LYS  12           2HZ      LYS  12   1.707  12.868   6.351
  584    H    LEU  13           H        LEU  13   5.746   9.138   4.079
  585    HA   LEU  13           HA       LEU  13   5.831   9.586   1.182
  586    HB2  LEU  13           2HB      LEU  13   5.434   7.119   0.893
  587    HB3  LEU  13           1HB      LEU  13   7.046   7.578   1.398
  588    HG   LEU  13           HG       LEU  13   5.041   6.740   3.465
  589   HD11  LEU  13          1HD1      LEU  13   5.771   4.420   3.200
  590   HD12  LEU  13          2HD1      LEU  13   6.708   4.876   1.776
  591   HD13  LEU  13          3HD1      LEU  13   4.949   5.001   1.752
  592   HD21  LEU  13          3HD2      LEU  13   8.042   6.486   3.227
  593   HD22  LEU  13          1HD2      LEU  13   7.071   5.954   4.599
  594   HD23  LEU  13          2HD2      LEU  13   7.175   7.672   4.208
  595    H    GLY  14           H        GLY  14   3.902   9.688   0.201
  596    HA2  GLY  14           2HA      GLY  14   1.556   9.408   1.954
  597    HA3  GLY  14           1HA      GLY  14   1.651  10.441   0.536
  598    H    VAL  15           H        VAL  15   0.323   7.703   1.680
  599    HA   VAL  15           HA       VAL  15   0.388   6.276  -0.895
  600    HB   VAL  15           HB       VAL  15  -0.609   5.285   1.796
  601   HG11  VAL  15          1HG1      VAL  15  -1.625   4.133  -0.095
  602   HG12  VAL  15          2HG1      VAL  15  -0.530   3.072   0.789
  603   HG13  VAL  15          3HG1      VAL  15  -0.025   3.778  -0.746
  604   HG21  VAL  15          3HG2      VAL  15   1.765   5.715   1.922
  605   HG22  VAL  15          1HG2      VAL  15   2.036   4.805   0.435
  606   HG23  VAL  15          2HG2      VAL  15   1.467   3.976   1.886
  607    H    TYR  16           H        TYR  16  -1.596   5.611  -1.864
  608    HA   TYR  16           HA       TYR  16  -4.003   6.991  -0.871
  609    HB2  TYR  16           2HB      TYR  16  -2.955   6.592  -3.630
  610    HB3  TYR  16           1HB      TYR  16  -4.700   6.517  -3.398
  611    HD1  TYR  16           1HD      TYR  16  -5.290   8.494  -1.467
  612    HD2  TYR  16           2HD      TYR  16  -2.412   8.644  -4.586
  613    HE1  TYR  16           1HE      TYR  16  -5.465  10.929  -1.483
  614    HE2  TYR  16           2HE      TYR  16  -2.570  11.100  -4.619
  615    HH   TYR  16           HH       TYR  16  -4.300  12.834  -3.984
  616    H    ILE  17           H        ILE  17  -5.445   5.630  -0.036
  617    HA   ILE  17           HA       ILE  17  -5.928   3.126  -1.475
  618    HB   ILE  17           HB       ILE  17  -6.160   1.800   0.493
  619   HG12  ILE  17          2HG1      ILE  17  -5.509   4.273   2.112
  620   HG13  ILE  17          1HG1      ILE  17  -7.075   3.463   2.041
  621   HG21  ILE  17          1HG2      ILE  17  -3.872   1.826   1.395
  622   HG22  ILE  17          2HG2      ILE  17  -3.607   3.392   0.630
  623   HG23  ILE  17          3HG2      ILE  17  -3.908   1.965  -0.363
  624   HD11  ILE  17          3HD1      ILE  17  -6.020   2.781   4.052
  625   HD12  ILE  17          1HD1      ILE  17  -4.512   2.413   3.208
  626   HD13  ILE  17          2HD1      ILE  17  -5.935   1.409   2.937
  627    HA   PRO  18           HA       PRO  18 -10.114   4.314  -1.605
  628    HB2  PRO  18           2HB      PRO  18 -11.342   1.870  -1.221
  629    HB3  PRO  18           1HB      PRO  18 -10.661   2.425  -2.752
  630    HG2  PRO  18           2HG      PRO  18  -9.467   0.621  -0.692
  631    HG3  PRO  18           1HG      PRO  18  -9.422   0.492  -2.460
  632    HD2  PRO  18           2HD      PRO  18  -7.318   1.396  -1.079
  633    HD3  PRO  18           1HD      PRO  18  -7.751   2.091  -2.658
  634    H    GLN  19           H        GLN  19 -12.093   4.466  -0.437
  635    HA   GLN  19           HA       GLN  19 -11.682   4.961   2.314
  636    HB2  GLN  19           2HB      GLN  19 -13.952   5.717   2.376
  637    HB3  GLN  19           1HB      GLN  19 -13.264   6.227   0.844
  638    HG2  GLN  19           2HG      GLN  19 -15.065   5.363  -0.114
  639    HG3  GLN  19           1HG      GLN  19 -14.396   3.777   0.264
  640   HE21  GLN  19          1HE2      GLN  19 -14.752   4.255   3.171
  641   HE22  GLN  19          2HE2      GLN  19 -16.441   4.030   3.471
  642    H    GLU  20           H        GLU  20 -13.087   2.279   0.556
  643    HA   GLU  20           HA       GLU  20 -14.293   0.944   2.693
  644    HB2  GLU  20           2HB      GLU  20 -13.831  -1.138   1.265
  645    HB3  GLU  20           1HB      GLU  20 -14.860   0.123   0.600
  646    HG2  GLU  20           2HG      GLU  20 -12.757   1.009  -0.514
  647    HG3  GLU  20           1HG      GLU  20 -12.027  -0.536  -0.094
  648    H    TRP  21           H        TRP  21 -10.963   1.279   1.809
  649    HA   TRP  21           HA       TRP  21 -10.006  -0.773   3.583
  650    HB2  TRP  21           2HB      TRP  21  -8.720   1.435   2.013
  651    HB3  TRP  21           1HB      TRP  21  -7.811   0.615   3.276
  652    HD1  TRP  21           HD       TRP  21 -10.156  -1.123   0.723
  653    HE1  TRP  21           1HE      TRP  21  -8.718  -2.762  -0.655
  654    HE3  TRP  21           3HE      TRP  21  -5.577   0.037   2.642
  655    HZ2  TRP  21           2HZ      TRP  21  -5.974  -3.448  -0.895
  656    HZ3  TRP  21           3HZ      TRP  21  -3.605  -1.132   1.787
  657    HH2  TRP  21           HH       TRP  21  -3.797  -2.820   0.062
  658    H    HIS  22           H        HIS  22 -10.287   2.762   3.635
  659    HA   HIS  22           HA       HIS  22  -9.147   3.160   6.168
  660    HB2  HIS  22           2HB      HIS  22 -11.116   4.738   4.538
  661    HB3  HIS  22           1HB      HIS  22 -10.714   5.238   6.180
  662    HD1  HIS  22           1HD      HIS  22  -8.885   6.878   6.278
  663    HD2  HIS  22           2HD      HIS  22  -8.531   4.380   2.972
  664    HE1  HIS  22           1HE      HIS  22  -6.855   7.687   5.039
  665    HE2  HIS  22           2HE      HIS  22  -6.743   6.253   2.969
  666    H    ASP  23           H        ASP  23 -12.403   2.310   5.184
  667    HA   ASP  23           HA       ASP  23 -13.696   2.568   7.653
  668    HB2  ASP  23           2HB      ASP  23 -14.719   2.134   5.352
  669    HB3  ASP  23           1HB      ASP  23 -14.308   0.440   5.598
  670    H    ARG  24           H        ARG  24 -12.371  -0.402   6.155
  671    HA   ARG  24           HA       ARG  24 -12.869  -1.937   8.521
  672    HB2  ARG  24           2HB      ARG  24 -11.606  -2.506   5.869
  673    HB3  ARG  24           1HB      ARG  24 -11.364  -3.638   7.191
  674    HG2  ARG  24           2HG      ARG  24 -13.193  -4.395   5.857
  675    HG3  ARG  24           1HG      ARG  24 -13.826  -3.837   7.405
  676    HD2  ARG  24           2HD      ARG  24 -14.445  -1.700   6.352
  677    HD3  ARG  24           1HD      ARG  24 -13.865  -2.314   4.804
  678    HE   ARG  24           HE       ARG  24 -15.690  -4.172   5.700
  679   HH11  ARG  24          1HH1      ARG  24 -15.743  -0.766   4.877
  680   HH12  ARG  24          2HH1      ARG  24 -17.428  -0.756   4.466
  681   HH21  ARG  24          1HH2      ARG  24 -17.891  -4.184   5.105
  682   HH22  ARG  24          2HH2      ARG  24 -18.653  -2.703   4.594
  683    H    LEU  25           H        LEU  25  -9.933  -0.706   6.963
  684    HA   LEU  25           HA       LEU  25  -8.118  -1.970   8.712
  685    HB2  LEU  25           2HB      LEU  25  -7.956   0.250   6.736
  686    HB3  LEU  25           1HB      LEU  25  -6.640   0.077   7.879
  687    HG   LEU  25           HG       LEU  25  -6.104  -1.027   5.781
  688   HD11  LEU  25          1HD1      LEU  25  -5.208  -2.002   7.813
  689   HD12  LEU  25          2HD1      LEU  25  -5.574  -3.262   6.634
  690   HD13  LEU  25          3HD1      LEU  25  -6.657  -2.989   7.998
  691   HD21  LEU  25          3HD2      LEU  25  -8.561  -2.700   6.281
  692   HD22  LEU  25          1HD2      LEU  25  -7.364  -2.989   5.019
  693   HD23  LEU  25          2HD2      LEU  25  -8.342  -1.523   4.985
  694    H    MET  26           H        MET  26  -9.334   1.385   8.662
  695    HA   MET  26           HA       MET  26  -7.796   2.140  10.912
  696    HB2  MET  26           2HB      MET  26 -10.169   3.452   9.603
  697    HB3  MET  26           1HB      MET  26  -9.302   4.162  10.961
  698    HG2  MET  26           2HG      MET  26  -7.271   4.256   9.678
  699    HG3  MET  26           1HG      MET  26  -8.041   3.412   8.333
  700    HE1  MET  26           3HE      MET  26  -9.685   6.178  10.595
  701    HE2  MET  26           1HE      MET  26  -9.294   7.650   9.706
  702    HE3  MET  26           2HE      MET  26  -8.013   6.726  10.492
  703    H    GLU  27           H        GLU  27 -11.023   0.738  10.625
  704    HA   GLU  27           HA       GLU  27 -11.726   1.245  13.320
  705    HB2  GLU  27           2HB      GLU  27 -13.386   0.549  11.646
  706    HB3  GLU  27           1HB      GLU  27 -12.620  -1.030  11.543
  707    HG2  GLU  27           2HG      GLU  27 -13.259  -1.587  13.750
  708    HG3  GLU  27           1HG      GLU  27 -13.743   0.069  14.101
  709    H    ILE  28           H        ILE  28 -10.005  -1.424  11.763
  710    HA   ILE  28           HA       ILE  28  -9.597  -2.942  14.133
  711    HB   ILE  28           HB       ILE  28  -7.920  -2.837  11.612
  712   HG12  ILE  28          2HG1      ILE  28 -10.042  -4.826  12.458
  713   HG13  ILE  28          1HG1      ILE  28 -10.288  -3.537  11.285
  714   HG21  ILE  28          1HG2      ILE  28  -7.018  -4.993  12.325
  715   HG22  ILE  28          2HG2      ILE  28  -7.944  -4.891  13.823
  716   HG23  ILE  28          3HG2      ILE  28  -6.656  -3.729  13.500
  717   HD11  ILE  28          3HD1      ILE  28  -8.365  -5.836  11.012
  718   HD12  ILE  28          1HD1      ILE  28  -8.594  -4.541   9.837
  719   HD13  ILE  28          2HD1      ILE  28  -9.912  -5.662  10.182
  720    H    ALA  29           H        ALA  29  -7.829  -0.394  12.509
  721    HA   ALA  29           HA       ALA  29  -5.526  -0.378  14.136
  722    HB1  ALA  29           1HB      ALA  29  -5.617   0.685  11.936
  723    HB2  ALA  29           2HB      ALA  29  -5.104   1.826  13.179
  724    HB3  ALA  29           3HB      ALA  29  -6.755   1.881  12.558
  725    H    LYS  30           H        LYS  30  -8.712   0.865  14.589
  726    HA   LYS  30           HA       LYS  30  -8.055   2.759  16.634
  727    HB2  LYS  30           2HB      LYS  30 -10.086   2.932  15.236
  728    HB3  LYS  30           1HB      LYS  30 -10.679   1.425  15.927
  729    HG2  LYS  30           2HG      LYS  30 -10.692   2.541  18.159
  730    HG3  LYS  30           1HG      LYS  30 -10.297   4.055  17.340
  731    HD2  LYS  30           2HD      LYS  30 -12.735   2.348  16.836
  732    HD3  LYS  30           1HD      LYS  30 -12.702   3.866  17.735
  733    HE2  LYS  30           2HE      LYS  30 -12.030   5.067  15.742
  734    HE3  LYS  30           1HE      LYS  30 -11.930   3.561  14.833
  735    HZ1  LYS  30           3HZ      LYS  30 -14.284   3.265  15.044
  736    HZ2  LYS  30           1HZ      LYS  30 -13.993   4.817  14.424
  737    HZ3  LYS  30           2HZ      LYS  30 -14.420   4.618  16.054
  738    H    GLU  31           H        GLU  31  -9.215  -0.530  16.466
  739    HA   GLU  31           HA       GLU  31  -9.644  -0.981  19.204
  740    HB2  GLU  31           2HB      GLU  31 -10.442  -2.389  17.266
  741    HB3  GLU  31           1HB      GLU  31  -8.807  -3.021  17.141
  742    HG2  GLU  31           2HG      GLU  31 -10.225  -4.552  18.354
  743    HG3  GLU  31           1HG      GLU  31  -8.974  -3.898  19.413
  744    H    LYS  32           H        LYS  32  -6.804  -1.443  17.140
  745    HA   LYS  32           HA       LYS  32  -5.301  -2.596  19.356
  746    HB2  LYS  32           2HB      LYS  32  -5.040  -2.582  16.418
  747    HB3  LYS  32           1HB      LYS  32  -3.524  -2.536  17.306
  748    HG2  LYS  32           2HG      LYS  32  -4.149  -4.814  16.754
  749    HG3  LYS  32           1HG      LYS  32  -4.142  -4.564  18.498
  750    HD2  LYS  32           2HD      LYS  32  -6.577  -4.332  18.474
  751    HD3  LYS  32           1HD      LYS  32  -6.585  -4.588  16.726
  752    HE2  LYS  32           2HE      LYS  32  -5.564  -6.562  18.767
  753    HE3  LYS  32           1HE      LYS  32  -7.154  -6.627  18.012
  754    HZ1  LYS  32           3HZ      LYS  32  -4.576  -6.765  16.537
  755    HZ2  LYS  32           1HZ      LYS  32  -6.128  -6.941  15.877
  756    HZ3  LYS  32           2HZ      LYS  32  -5.524  -8.108  16.949
  757    H    ASN  33           H        ASN  33  -5.890   0.445  18.275
  758    HA   ASN  33           HA       ASN  33  -4.976   2.479  18.644
  759    HB2  ASN  33           2HB      ASN  33  -3.391   0.849  20.608
  760    HB3  ASN  33           1HB      ASN  33  -3.054   2.562  20.377
  761   HD21  ASN  33          1HD2      ASN  33  -4.564   4.075  20.992
  762   HD22  ASN  33          2HD2      ASN  33  -5.892   3.692  22.038
  763    H    LEU  34           H        LEU  34  -4.268   1.352  16.375
  764    HA   LEU  34           HA       LEU  34  -1.478   2.222  15.978
  765    HB2  LEU  34           2HB      LEU  34  -3.005   0.048  14.526
  766    HB3  LEU  34           1HB      LEU  34  -1.440   0.660  14.025
  767    HG   LEU  34           HG       LEU  34  -1.933  -0.683  16.680
  768   HD11  LEU  34          1HD1      LEU  34  -2.382  -2.245  14.869
  769   HD12  LEU  34          2HD1      LEU  34  -0.868  -2.651  15.681
  770   HD13  LEU  34          3HD1      LEU  34  -0.842  -1.835  14.115
  771   HD21  LEU  34          3HD2      LEU  34   0.510  -0.899  16.693
  772   HD22  LEU  34          1HD2      LEU  34  -0.000   0.788  16.648
  773   HD23  LEU  34          2HD2      LEU  34   0.593   0.008  15.182
  774    H    THR  35           H        THR  35  -1.137   3.114  13.735
  775    HA   THR  35           HA       THR  35  -3.622   4.305  12.702
  776    HB   THR  35           HB       THR  35  -2.216   5.875  11.460
  777    HG1  THR  35           1HG      THR  35  -0.016   4.537  12.713
  778   HG21  THR  35          3HG2      THR  35  -2.847   6.487  13.738
  779   HG22  THR  35          1HG2      THR  35  -1.247   7.117  13.344
  780   HG23  THR  35          2HG2      THR  35  -1.405   5.687  14.363
  781    H    LEU  36           H        LEU  36  -3.965   4.256  10.368
  782    HA   LEU  36           HA       LEU  36  -3.455   1.776   9.174
  783    HB2  LEU  36           2HB      LEU  36  -4.354   2.676   7.144
  784    HB3  LEU  36           1HB      LEU  36  -5.297   3.270   8.493
  785    HG   LEU  36           HG       LEU  36  -3.170   4.894   7.092
  786   HD11  LEU  36          1HD1      LEU  36  -4.952   4.324   5.539
  787   HD12  LEU  36          2HD1      LEU  36  -5.032   6.028   5.984
  788   HD13  LEU  36          3HD1      LEU  36  -6.159   4.876   6.700
  789   HD21  LEU  36          3HD2      LEU  36  -5.352   5.636   9.043
  790   HD22  LEU  36          1HD2      LEU  36  -4.363   6.794   8.151
  791   HD23  LEU  36          2HD2      LEU  36  -3.611   5.708   9.319
  792    H    SER  37           H        SER  37  -1.661   4.745   9.206
  793    HA   SER  37           HA       SER  37   0.249   4.249   7.240
  794    HB2  SER  37           2HB      SER  37   0.681   5.592   9.918
  795    HB3  SER  37           1HB      SER  37   1.632   5.833   8.452
  796    HG   SER  37           HG       SER  37   0.265   7.357   8.020
  797    H    ASP  38           H        ASP  38   0.160   3.286  10.667
  798    HA   ASP  38           HA       ASP  38   2.663   1.984  10.720
  799    HB2  ASP  38           2HB      ASP  38   0.190   1.437  12.384
  800    HB3  ASP  38           1HB      ASP  38   1.783   0.772  12.715
  801    H    VAL  39           H        VAL  39  -0.591   0.870   9.994
  802    HA   VAL  39           HA       VAL  39  -0.045  -1.883   9.848
  803    HB   VAL  39           HB       VAL  39  -2.179  -0.341   8.357
  804   HG11  VAL  39          1HG1      VAL  39  -1.826  -2.595   7.470
  805   HG12  VAL  39          2HG1      VAL  39  -3.382  -2.464   8.289
  806   HG13  VAL  39          3HG1      VAL  39  -2.030  -3.264   9.090
  807   HG21  VAL  39          3HG2      VAL  39  -2.284   0.056  10.766
  808   HG22  VAL  39          1HG2      VAL  39  -2.291  -1.684  11.057
  809   HG23  VAL  39          2HG2      VAL  39  -3.647  -0.924  10.224
  810    H    CYS  40           H        CYS  40   0.107   0.666   7.394
  811    HA   CYS  40           HA       CYS  40   0.520  -1.020   5.181
  812    HB2  CYS  40           2HB      CYS  40   0.223   1.701   5.589
  813    HB3  CYS  40           1HB      CYS  40   1.869   1.581   4.993
  814    HG   CYS  40           HG       CYS  40   0.465  -0.257   2.927
  815    H    ARG  41           H        ARG  41   2.947   0.952   6.894
  816    HA   ARG  41           HA       ARG  41   5.289  -0.133   6.064
  817    HB2  ARG  41           2HB      ARG  41   5.093   1.779   7.587
  818    HB3  ARG  41           1HB      ARG  41   4.540   0.721   8.873
  819    HG2  ARG  41           2HG      ARG  41   7.225   0.310   7.620
  820    HG3  ARG  41           1HG      ARG  41   6.986   1.538   8.860
  821    HD2  ARG  41           2HD      ARG  41   6.374  -0.068  10.471
  822    HD3  ARG  41           1HD      ARG  41   6.166  -1.335   9.254
  823    HE   ARG  41           HE       ARG  41   8.664  -1.094   8.920
  824   HH11  ARG  41          1HH1      ARG  41   7.204  -0.342  12.038
  825   HH12  ARG  41          2HH1      ARG  41   8.616  -0.796  12.932
  826   HH21  ARG  41          1HH2      ARG  41  10.508  -1.666  10.104
  827   HH22  ARG  41          2HH2      ARG  41  10.495  -1.530  11.842
  828    H    LEU  42           H        LEU  42   3.399  -1.344   8.855
  829    HA   LEU  42           HA       LEU  42   5.233  -3.405   9.493
  830    HB2  LEU  42           2HB      LEU  42   2.301  -3.148  10.167
  831    HB3  LEU  42           1HB      LEU  42   3.384  -4.333  10.871
  832    HG   LEU  42           HG       LEU  42   3.683  -1.341  11.147
  833   HD11  LEU  42          1HD1      LEU  42   2.688  -3.402  13.112
  834   HD12  LEU  42          2HD1      LEU  42   1.718  -2.156  12.327
  835   HD13  LEU  42          3HD1      LEU  42   2.984  -1.699  13.465
  836   HD21  LEU  42          3HD2      LEU  42   5.346  -1.922  12.861
  837   HD22  LEU  42          1HD2      LEU  42   5.813  -2.503  11.262
  838   HD23  LEU  42          2HD2      LEU  42   5.158  -3.628  12.451
  839    H    ALA  43           H        ALA  43   2.557  -3.201   7.296
  840    HA   ALA  43           HA       ALA  43   2.327  -6.000   6.886
  841    HB1  ALA  43           1HB      ALA  43   0.470  -4.477   6.430
  842    HB2  ALA  43           2HB      ALA  43   0.893  -5.429   5.006
  843    HB3  ALA  43           3HB      ALA  43   1.397  -3.743   5.123
  844    H    ILE  44           H        ILE  44   4.418  -3.524   5.604
  845    HA   ILE  44           HA       ILE  44   5.265  -5.030   3.327
  846    HB   ILE  44           HB       ILE  44   6.930  -2.968   4.783
  847   HG12  ILE  44          2HG1      ILE  44   4.930  -2.601   2.550
  848   HG13  ILE  44          1HG1      ILE  44   4.829  -1.921   4.170
  849   HG21  ILE  44          1HG2      ILE  44   8.176  -4.358   3.228
  850   HG22  ILE  44          2HG2      ILE  44   8.019  -2.720   2.592
  851   HG23  ILE  44          3HG2      ILE  44   7.006  -4.015   1.955
  852   HD11  ILE  44          3HD1      ILE  44   5.529  -0.246   2.552
  853   HD12  ILE  44          1HD1      ILE  44   6.918  -1.239   2.111
  854   HD13  ILE  44          2HD1      ILE  44   6.800  -0.558   3.734
  855    H    LYS  45           H        LYS  45   6.230  -4.810   6.704
  856    HA   LYS  45           HA       LYS  45   8.478  -6.480   6.560
  857    HB2  LYS  45           2HB      LYS  45   7.870  -5.246   8.611
  858    HB3  LYS  45           1HB      LYS  45   6.487  -6.312   8.830
  859    HG2  LYS  45           2HG      LYS  45   8.022  -8.229   9.008
  860    HG3  LYS  45           1HG      LYS  45   9.388  -7.123   8.868
  861    HD2  LYS  45           2HD      LYS  45   8.661  -5.982  10.914
  862    HD3  LYS  45           1HD      LYS  45   7.312  -7.114  11.056
  863    HE2  LYS  45           2HE      LYS  45  10.240  -7.838  11.091
  864    HE3  LYS  45           1HE      LYS  45   9.183  -7.759  12.499
  865    HZ1  LYS  45           3HZ      LYS  45   8.912  -9.634  10.199
  866    HZ2  LYS  45           1HZ      LYS  45   7.831  -9.527  11.507
  867    HZ3  LYS  45           2HZ      LYS  45   9.429 -10.026  11.767
  868    H    GLU  46           H        GLU  46   5.039  -7.232   6.889
  869    HA   GLU  46           HA       GLU  46   5.316 -10.056   6.984
  870    HB2  GLU  46           2HB      GLU  46   3.253  -9.111   7.718
  871    HB3  GLU  46           1HB      GLU  46   3.052  -8.212   6.223
  872    HG2  GLU  46           2HG      GLU  46   1.509  -9.947   6.077
  873    HG3  GLU  46           1HG      GLU  46   2.856 -10.475   5.074
  874    H    TYR  47           H        TYR  47   5.056  -7.683   4.435
  875    HA   TYR  47           HA       TYR  47   4.604  -9.368   2.268
  876    HB2  TYR  47           2HB      TYR  47   4.468  -6.876   2.245
  877    HB3  TYR  47           1HB      TYR  47   6.222  -6.811   2.315
  878    HD1  TYR  47           1HD      TYR  47   3.328  -7.646   0.225
  879    HD2  TYR  47           2HD      TYR  47   7.555  -7.219   0.352
  880    HE1  TYR  47           1HE      TYR  47   3.395  -7.679  -2.228
  881    HE2  TYR  47           2HE      TYR  47   7.639  -7.256  -2.108
  882    HH   TYR  47           HH       TYR  47   4.829  -6.958  -4.038
  883    H    LEU  48           H        LEU  48   7.597  -8.296   3.800
  884    HA   LEU  48           HA       LEU  48   9.356  -9.721   2.085
  885    HB2  LEU  48           2HB      LEU  48   9.802  -8.789   4.923
  886    HB3  LEU  48           1HB      LEU  48  11.052  -9.295   3.800
  887    HG   LEU  48           HG       LEU  48   9.289  -6.861   3.509
  888   HD11  LEU  48          1HD1      LEU  48  12.221  -7.141   4.152
  889   HD12  LEU  48          2HD1      LEU  48  10.954  -6.614   5.259
  890   HD13  LEU  48          3HD1      LEU  48  11.374  -5.622   3.862
  891   HD21  LEU  48          3HD2      LEU  48  11.548  -7.859   1.773
  892   HD22  LEU  48          1HD2      LEU  48  10.712  -6.315   1.591
  893   HD23  LEU  48          2HD2      LEU  48   9.839  -7.827   1.338
  894    H    ASP  49           H        ASP  49   8.301 -10.367   5.427
  895    HA   ASP  49           HA       ASP  49   9.668 -12.792   5.721
  896    HB2  ASP  49           2HB      ASP  49   7.451 -11.434   7.166
  897    HB3  ASP  49           1HB      ASP  49   7.722 -13.139   7.509
  898    H    ASN  50           H        ASN  50   6.566 -12.126   4.283
  899    HA   ASN  50           HA       ASN  50   5.650 -14.850   4.439
  900    HB2  ASN  50           2HB      ASN  50   4.244 -12.691   4.416
  901    HB3  ASN  50           1HB      ASN  50   4.483 -12.705   2.672
  902   HD21  ASN  50          1HD2      ASN  50   2.178 -13.111   4.591
  903   HD22  ASN  50          2HD2      ASN  50   1.395 -14.537   4.006
  904    H    HIS  51           H        HIS  51   7.267 -12.848   2.051
  905    HA   HIS  51           HA       HIS  51   6.938 -14.927   0.028
  906    HB2  HIS  51           2HB      HIS  51   8.011 -12.120  -0.091
  907    HB3  HIS  51           1HB      HIS  51   8.271 -13.257  -1.409
  908    HD1  HIS  51           1HD      HIS  51   6.105 -14.094  -2.690
  909    HD2  HIS  51           2HD      HIS  51   5.502 -10.975   0.004
  910    HE1  HIS  51           1HE      HIS  51   3.865 -13.107  -3.274
  911    HE2  HIS  51           2HE      HIS  51   3.494 -11.249  -1.616
  912    H    ASP  52           H        ASP  52   9.105 -14.106   2.444
  913    HA   ASP  52           HA       ASP  52  11.092 -15.931   1.304
  914    HB2  ASP  52           2HB      ASP  52  11.849 -13.593   0.884
  915    HB3  ASP  52           1HB      ASP  52  11.799 -13.298   2.616
  916    H    LYS  53           H        LYS  53  10.692 -17.555   2.677
  917    HA   LYS  53           HA       LYS  53  10.078 -17.042   5.465
  918    HB2  LYS  53           2HB      LYS  53   9.211 -18.901   3.649
  919    HB3  LYS  53           1HB      LYS  53  10.368 -19.830   4.591
  920    HG2  LYS  53           2HG      LYS  53   8.180 -20.111   5.519
  921    HG3  LYS  53           1HG      LYS  53   9.164 -19.176   6.647
  922    HD2  LYS  53           2HD      LYS  53   6.878 -18.272   6.412
  923    HD3  LYS  53           1HD      LYS  53   8.116 -17.120   5.912
  924    HE2  LYS  53           2HE      LYS  53   6.223 -17.139   4.363
  925    HE3  LYS  53           1HE      LYS  53   7.712 -17.661   3.577
  926    HZ1  LYS  53           3HZ      LYS  53   6.995 -19.956   3.806
  927    HZ2  LYS  53           1HZ      LYS  53   5.837 -19.053   2.957
  928    HZ3  LYS  53           2HZ      LYS  53   5.571 -19.462   4.582
  929    H    GLN  54           H        GLN  54  12.529 -18.807   3.595
  930    HA   GLN  54           HA       GLN  54  14.590 -19.623   4.107
  931    HB2  GLN  54           2HB      GLN  54  14.489 -17.600   6.351
  932    HB3  GLN  54           1HB      GLN  54  15.933 -18.396   5.754
  933    HG2  GLN  54           2HG      GLN  54  15.660 -17.271   3.601
  934    HG3  GLN  54           1HG      GLN  54  14.212 -16.467   4.215
  935   HE21  GLN  54          1HE2      GLN  54  15.070 -14.417   3.986
  936   HE22  GLN  54          2HE2      GLN  54  16.326 -13.819   5.027
  937    H    LYS  55           H        LYS  55  15.935 -20.062   6.435
  938    HA   LYS  55           HA       LYS  55  16.104 -21.060   8.445
  939    HB2  LYS  55           2HB      LYS  55  13.090 -20.957   8.577
  940    HB3  LYS  55           1HB      LYS  55  14.175 -21.322   9.913
  941    HG2  LYS  55           2HG      LYS  55  15.188 -19.025   9.506
  942    HG3  LYS  55           1HG      LYS  55  13.782 -18.713   8.488
  943    HD2  LYS  55           2HD      LYS  55  13.372 -17.859  10.706
  944    HD3  LYS  55           1HD      LYS  55  12.322 -19.248  10.414
  945    HE2  LYS  55           2HE      LYS  55  13.303 -19.321  12.653
  946    HE3  LYS  55           1HE      LYS  55  13.847 -20.676  11.665
  947    HZ1  LYS  55           3HZ      LYS  55  15.675 -19.714  12.905
  948    HZ2  LYS  55           1HZ      LYS  55  15.391 -18.192  12.209
  949    HZ3  LYS  55           2HZ      LYS  55  15.916 -19.482  11.245
  950    H    LYS  56           H        LYS  56  16.713 -22.683   6.707
  951    HA   LYS  56           HA       LYS  56  15.451 -25.185   7.556
  952    HB2  LYS  56           2HB      LYS  56  16.289 -24.526   4.721
  953    HB3  LYS  56           1HB      LYS  56  15.880 -26.140   5.281
  954    HG2  LYS  56           2HG      LYS  56  13.617 -25.269   5.878
  955    HG3  LYS  56           1HG      LYS  56  14.060 -23.758   5.082
  956    HD2  LYS  56           2HD      LYS  56  14.007 -26.485   3.793
  957    HD3  LYS  56           1HD      LYS  56  12.792 -25.224   3.583
  958    HE2  LYS  56           2HE      LYS  56  14.424 -23.774   2.548
  959    HE3  LYS  56           1HE      LYS  56  15.705 -24.945   2.856
  960    HZ1  LYS  56           3HZ      LYS  56  14.885 -25.012   0.563
  961    HZ2  LYS  56           1HZ      LYS  56  13.342 -25.434   1.125
  962    HZ3  LYS  56           2HZ      LYS  56  14.654 -26.488   1.366